Detailed results of SGR145_XRay_em_bcr3 by PSVS
Output from PDBStat
Output from PROCHECK
Ramachandran Plot for all models
Text summary of Ramachandran Plot
+----------<<< P R O C H E C K S U M M A R Y >>>----------+
| |
| SGR145_XRay_em_bcr3_noHs_000.rin 0.0 346 residues |
| |
+| Ramachandran plot: 87.0% core 12.3% allow 0.7% gener 0.0% disall |
| |
*| All Ramachandrans: 17 labelled residues (out of 338) |
+| Chi1-chi2 plots: 3 labelled residues (out of 212) |
JPEG image for all model Ramachandran Plot
Residue Properties for all models
JPEG for all model Residue Properties - page $num_n
JPEG for all model Residue Properties - page $num_n
JPEG for all model Residue Properties - page $num_n
JPEG for all model Residue Properties - page $num_n
JPEG for all model Residue Properties - page $num_n
JPEG for all model Residue Properties - page $num_n
Model Secondary Structures from Procheck
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
Ramachandran Plots for each residue
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
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JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
Ramachandran analysis for each residue from Molprobity
Chi1-Chi2 Plots for each residue
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
Procheck G-factors for phi-psi for each residue
JPEG image for residue phi-psi G-factors
Table of Procheck G-factors for phi-psi for ordered residues
#phipsi_gfactor
#Residue\Model average
17 -0.30
18 -0.61
19 1.32
20 0.80
21 1.13
22 -0.28
23 0.30
24 -1.74
25 0.82
26 -0.19
27 -0.32
28 -0.16
29 0.62
30 -0.98
31 -1.30
32 -0.34
33 0.31
34 -0.05
35 0.00
36 -0.18
37 -2.44
38 -0.30
39 -3.49
40 -3.23
41 -1.16
42 0.67
43 0.13
44 0.76
45 1.08
46 1.22
47 0.63
48 0.58
49 0.70
50 -0.68
51 -0.50
52 -0.75
53 -2.57
54 -0.37
55 -1.03
56 -1.45
57 0.23
58 -0.63
59 -0.55
60 -0.57
61 0.88
62 0.37
63 -0.92
64 0.50
65 0.54
66 -0.01
67 0.65
68 1.08
69 1.23
70 1.13
71 0.76
72 0.75
73 0.10
74 -0.26
75 0.13
76 0.57
77 -2.42
78 -1.20
79 -4.21
80 -4.21
81 -3.10
82 -3.12
83 -3.76
84 -0.51
85 -0.82
86 -1.60
87 -2.23
88 0.10
89 -1.35
90 -0.23
91 -0.57
92 -0.16
93 -1.35
94 -3.46
95 0.13
96 -0.56
97 -1.48
98 -1.20
99 0.10
100 -1.68
101 -0.23
102 -3.08
103 -2.16
104 -0.55
105 -0.90
106 0.42
107 0.01
108 0.83
109 -0.02
110 0.67
111 0.97
112 -1.10
113 -1.88
114 -1.70
115 0.47
116 -0.01
117 0.56
118 1.17
119 0.74
120 0.25
121 -0.15
122 -0.73
123 0.37
124 1.00
125 -0.28
126 -0.06
127 -0.30
128 0.31
129 -0.64
130 -1.05
131 0.09
132 -0.06
133 -1.24
134 0.62
135 -0.49
136 -0.08
137 0.29
138 -0.21
139 -0.78
140 -0.20
141 -0.75
142 -1.07
143 -0.28
144 0.19
145 -0.30
146 -0.18
147 -0.35
148 0.64
149 -0.61
150 -2.47
151 0.42
152 -1.25
153 0.88
154 0.68
155 0.94
156 0.99
157 1.01
158 0.46
159 -0.44
160 -2.85
161 -1.49
162 0.11
163 -0.44
164 0.10
165 -1.57
166 0.21
167 -0.70
168 -2.09
169 -0.33
170 -0.02
171 -0.31
172 -0.87
173 -0.30
185 -1.48
186 -1.14
187 -0.72
188 0.31
189 -0.45
190 -0.52
191 -2.17
192 -0.96
193 -0.20
194 -0.48
195 -1.68
196 -0.62
209 0.19
210 -0.61
211 1.32
212 0.80
213 1.13
214 -0.28
215 0.30
216 -1.74
217 0.14
218 -0.19
219 -0.53
220 -0.16
221 0.62
222 -0.98
223 -1.30
224 -0.34
225 0.31
226 -0.05
227 0.00
228 -0.18
229 -2.44
230 -0.30
231 -3.49
232 -3.23
233 -1.16
234 0.67
235 0.13
236 0.76
237 1.08
238 1.22
239 0.63
240 0.58
241 0.70
242 -0.46
243 -0.50
244 -0.75
245 -2.57
246 -0.37
247 -1.03
248 -1.45
249 0.23
250 -0.63
251 -0.55
252 -0.57
253 0.88
254 0.37
255 -0.92
256 0.50
257 0.54
258 -0.01
259 0.65
260 1.08
261 1.23
262 1.13
263 0.76
264 0.75
265 0.10
266 -0.26
267 0.13
268 0.57
269 -2.42
270 -1.20
271 -4.21
272 -4.21
273 -3.10
274 -3.12
275 -3.76
276 -0.51
277 -0.82
278 -1.60
279 -2.23
280 0.10
281 -1.35
282 -0.23
283 -0.57
284 -0.16
285 -1.35
286 -3.46
287 0.13
288 -0.56
289 -1.48
290 -1.20
291 0.10
292 -1.68
293 -0.23
294 -2.22
295 -2.16
296 -0.55
297 -0.74
298 0.54
299 0.01
300 0.83
301 -0.02
302 0.67
303 0.97
304 -1.10
305 -1.88
306 -1.70
307 0.47
308 -0.01
309 0.56
310 1.17
311 0.74
312 0.25
313 -0.18
314 -0.73
315 0.37
316 1.00
317 -0.28
318 -0.06
319 -0.30
320 0.31
321 -0.64
322 -1.05
323 0.09
324 -0.15
325 -1.24
326 0.62
327 -0.49
328 0.45
329 0.29
330 -0.21
331 -0.78
332 -0.20
333 -0.75
334 -1.07
335 -0.28
336 0.19
337 -0.37
338 -0.18
339 -0.35
340 0.64
341 -0.61
342 -2.47
343 0.42
344 -1.25
345 0.88
346 0.68
347 0.94
348 0.99
349 1.01
350 0.46
351 -0.44
352 -2.85
353 -1.49
354 0.11
355 -0.44
356 0.10
357 -1.57
358 0.21
359 -0.70
360 -2.09
361 -0.33
362 -0.02
363 -0.31
364 -0.87
365 -0.30
377 -1.48
378 -1.14
379 -0.72
380 0.31
381 -0.45
382 -0.64
383 -2.17
384 -0.96
385 -0.20
386 -0.48
387 -1.14
388 -0.62
#Reported_Model_Average -0.454
#Overall_Average_Reported -0.454
Procheck G-factors for all dihedral angles for each residue
JPEG image for residue all dihedral G-factors
Table of Procheck G-factors for all dihedrals for ordered residues
#alldih_gfactor
#Residue\Model average
16 0.36
17 -0.30
18 -0.55
19 0.46
20 0.48
21 0.74
22 -0.68
23 -0.21
24 -1.15
25 0.82
26 0.57
27 -0.22
28 0.17
29 0.62
30 -1.37
31 -1.30
32 0.31
33 -0.71
34 0.17
35 0.65
36 0.16
37 -2.44
38 -1.57
39 -3.49
40 -2.44
41 -1.16
42 -0.54
43 0.65
44 0.76
45 0.97
46 0.01
47 0.75
48 0.58
49 0.79
50 -0.86
51 -0.50
52 0.05
53 -1.34
54 -0.46
55 -0.37
56 -1.45
57 0.36
58 -0.59
59 -1.62
60 -0.64
61 0.62
62 -0.35
63 -0.92
64 0.71
65 0.54
66 -0.52
67 0.65
68 0.41
69 -0.04
70 0.83
71 0.76
72 0.54
73 0.35
74 0.25
75 0.13
76 -0.26
77 -1.02
78 -1.09
79 -2.54
80 -2.25
81 -1.56
82 -1.98
83 -1.89
84 -0.98
85 -0.99
86 -1.60
87 -0.98
88 0.21
89 -1.27
90 -1.64
91 -0.83
92 -0.16
93 -0.84
94 -3.46
95 0.19
96 0.06
97 -1.48
98 -0.29
99 -0.49
100 -0.86
101 0.33
102 -1.24
103 -1.01
104 0.29
105 -0.35
106 0.42
107 -0.01
108 0.06
109 -0.54
110 0.78
111 -0.63
112 -1.90
113 -0.79
114 -2.03
115 0.47
116 0.48
117 0.16
118 0.93
119 0.93
120 0.25
121 -0.72
122 -0.12
123 0.37
124 1.00
125 -0.28
126 0.04
127 0.17
128 -1.17
129 -0.81
130 -1.58
131 0.09
132 0.27
133 -1.24
134 0.62
135 -1.30
136 -0.05
137 0.46
138 -0.42
139 -0.12
140 -1.76
141 -0.81
142 -1.07
143 -0.28
144 0.19
145 -0.50
146 -0.16
147 -0.30
148 0.15
149 -0.99
150 -0.80
151 0.42
152 -0.09
153 -0.17
154 0.30
155 0.79
156 0.80
157 0.99
158 0.22
159 -0.22
160 -1.90
161 -1.49
162 -0.30
163 -0.79
164 -0.13
165 -0.68
166 0.54
167 -0.33
168 -2.09
169 -0.06
170 -0.95
171 0.10
172 -0.44
173 -0.62
174 -0.58
184 -0.55
185 -1.48
186 -1.14
187 -0.55
188 -0.78
189 0.34
190 0.05
191 -1.23
192 -0.96
193 -0.91
194 0.14
195 -0.40
196 -0.39
197 -1.51
208 0.63
209 0.19
210 -0.47
211 0.46
212 0.48
213 0.74
214 -0.68
215 0.82
216 -0.80
217 0.14
218 0.57
219 -0.32
220 0.17
221 0.62
222 -1.37
223 -1.30
224 0.31
225 -0.71
226 0.17
227 0.80
228 0.16
229 -2.44
230 -1.57
231 -3.49
232 -2.44
233 -1.16
234 -0.54
235 0.65
236 0.76
237 0.60
238 0.01
239 0.75
240 0.58
241 -0.01
242 -0.75
243 -0.50
244 0.05
245 -1.34
246 -0.31
247 -0.37
248 -1.45
249 0.45
250 -0.59
251 -1.62
252 -0.64
253 0.62
254 -0.35
255 -0.92
256 0.71
257 0.54
258 -0.52
259 0.65
260 0.41
261 -0.04
262 0.83
263 0.76
264 0.54
265 0.35
266 0.25
267 0.13
268 0.01
269 -1.02
270 -1.09
271 -2.54
272 -1.79
273 -1.56
274 -1.98
275 -1.89
276 -0.98
277 -0.99
278 -1.60
279 -0.98
280 0.21
281 -1.27
282 -1.64
283 -0.83
284 -0.16
285 -0.84
286 -3.46
287 0.19
288 0.06
289 -1.48
290 -0.29
291 -0.49
292 -1.20
293 0.33
294 -0.82
295 -1.01
296 0.29
297 -0.27
298 0.54
299 0.45
300 0.06
301 -0.54
302 0.78
303 -0.63
304 -1.90
305 -0.79
306 -2.03
307 0.47
308 0.48
309 -0.26
310 0.93
311 0.99
312 0.25
313 -0.74
314 -0.12
315 0.37
316 1.00
317 -0.28
318 -0.57
319 0.17
320 -1.17
321 -0.81
322 -1.58
323 0.09
324 0.22
325 -1.24
326 0.62
327 -1.30
328 0.22
329 0.60
330 -0.42
331 -0.12
332 -0.68
333 -0.81
334 -1.07
335 -0.28
336 0.19
337 -0.54
338 -0.16
339 -0.30
340 0.15
341 -0.99
342 -0.80
343 0.42
344 -0.09
345 -0.17
346 0.30
347 0.96
348 0.48
349 0.99
350 -0.13
351 -0.22
352 -1.90
353 -1.49
354 0.49
355 -0.79
356 -0.13
357 -0.68
358 0.54
359 -0.33
360 -2.09
361 -0.06
362 -0.95
363 0.10
364 -0.44
365 -0.62
366 -0.58
376 -0.55
377 -1.48
378 -1.14
379 -0.55
380 -0.78
381 0.34
382 -0.01
383 -1.23
384 -0.96
385 -0.91
386 -0.03
387 -0.13
388 -0.31
389 -0.72
#Reported_Model_Average -0.394
#Overall_Average_Reported -0.394
Output from Verify3D
Verify3D Score over a window of $winsize_s residues
JPEG image for Verify3D Score
Table of Verify3D scores for ordered residues across all models
#verify3d
#Residue\Model only_model
16 0.28
17 0.64
18 -0.26
19 0.23
20 0.71
21 1.06
22 -0.09
23 0.34
24 1.00
25 0.49
26 0.41
27 0.25
28 0.93
29 0.44
30 0.25
31 1.10
32 0.47
33 0.93
34 1.06
35 1.29
36 1.06
37 0.49
38 -1.13
39 1.10
40 0.28
41 1.10
42 0.71
43 -0.26
44 0.49
45 1.29
46 1.04
47 1.06
48 0.49
49 0.59
50 -0.33
51 1.10
52 1.25
53 0.28
54 0.66
55 0.55
56 0.49
57 1.00
58 0.34
59 -0.57
60 0.17
61 0.34
62 -0.80
63 1.10
64 0.29
65 0.14
66 0.47
67 0.49
68 0.47
69 0.25
70 -0.68
71 0.49
72 0.25
73 0.28
74 0.47
75 1.10
76 0.66
77 -0.10
78 -0.54
79 0.55
80 0.08
81 -0.74
82 -0.57
83 0.34
84 0.51
85 1.06
86 0.14
87 0.23
88 1.04
89 0.23
90 0.93
91 -0.80
92 0.14
93 0.51
94 0.49
95 1.62
96 -0.46
97 1.10
98 0.93
99 1.00
100 0.59
101 0.81
102 0.71
103 1.29
104 0.54
105 1.06
106 0.64
107 0.17
108 0.34
109 -0.33
110 -0.44
111 -0.03
112 -0.03
113 1.06
114 0.52
115 0.44
116 0.47
117 1.00
118 1.25
119 0.25
120 1.10
121 0.77
122 0.08
123 0.44
124 1.10
125 1.10
126 1.00
127 1.40
128 0.93
129 0.77
130 -1.13
131 1.10
132 1.04
133 0.49
134 -0.11
135 -0.46
136 0.10
137 -0.33
138 0.25
139 1.25
140 0.41
141 0.08
142 1.10
143 1.10
144 0.64
145 -0.10
146 0.51
147 -0.68
148 0.51
149 -0.33
150 0.77
151 -0.11
152 0.47
153 0.29
154 0.28
155 0.08
156 1.06
157 -0.57
158 0.34
159 -0.46
160 1.06
161 0.44
162 0.34
163 1.06
164 0.51
165 1.62
166 0.29
167 -0.54
168 0.49
169 -0.26
170 -0.26
171 0.29
172 0.28
173 0.24
174 0.51
184 0.08
185 0.49
186 0.49
187 0.77
188 0.81
189 0.10
190 1.06
191 1.06
192 1.10
193 -0.57
194 0.08
195 -0.68
196 0.28
197 0.20
208 0.04
209 0.64
210 -0.26
211 0.23
212 1.04
213 1.06
214 -0.09
215 0.34
216 1.00
217 0.49
218 0.41
219 0.25
220 0.93
221 0.44
222 0.25
223 1.10
224 0.47
225 0.93
226 1.06
227 1.29
228 1.06
229 -0.25
230 -1.13
231 1.10
232 0.28
233 1.10
234 0.24
235 -0.26
236 0.49
237 1.29
238 1.04
239 1.06
240 0.49
241 0.59
242 -0.33
243 1.10
244 1.14
245 0.28
246 1.00
247 0.55
248 0.49
249 1.00
250 0.51
251 0.25
252 0.34
253 0.34
254 -0.80
255 1.10
256 0.29
257 0.14
258 -0.10
259 0.49
260 0.47
261 0.25
262 -0.68
263 0.49
264 0.25
265 0.28
266 0.08
267 1.10
268 0.66
269 -0.10
270 -0.54
271 0.55
272 0.08
273 -0.09
274 -0.57
275 0.34
276 0.51
277 1.06
278 0.14
279 0.23
280 1.04
281 0.23
282 0.93
283 -0.80
284 0.14
285 0.51
286 -0.25
287 1.62
288 -0.46
289 1.10
290 0.93
291 1.00
292 0.59
293 0.81
294 0.71
295 1.29
296 0.54
297 1.06
298 0.64
299 0.17
300 0.34
301 0.77
302 -0.44
303 -0.03
304 -0.03
305 1.06
306 0.52
307 0.44
308 0.08
309 1.00
310 1.25
311 0.25
312 1.10
313 0.77
314 0.47
315 0.44
316 1.10
317 1.10
318 1.00
319 1.40
320 0.93
321 0.77
322 -1.13
323 1.10
324 1.04
325 0.49
326 0.64
327 0.28
328 -0.87
329 -0.68
330 0.25
331 1.25
332 0.41
333 0.08
334 1.10
335 1.10
336 0.64
337 -0.10
338 0.51
339 -0.68
340 0.51
341 -0.68
342 0.77
343 0.44
344 0.47
345 0.29
346 0.28
347 0.08
348 1.06
349 -0.57
350 0.34
351 -0.46
352 1.06
353 0.44
354 0.34
355 1.06
356 0.51
357 1.62
358 0.29
359 0.81
360 0.49
361 -0.26
362 -0.26
363 0.29
364 0.28
365 0.24
366 0.51
376 0.08
377 0.49
378 0.49
379 0.29
380 0.81
381 -0.87
382 1.06
383 1.06
384 1.10
385 0.25
386 0.08
387 -0.68
388 0.28
389 0.20
#Reported_Model_Average 0.442
#Overall_Average_Reported 0.442
Output from ProsaII
ProsaII Score over a window of $winsize_s residues
JPEG image for ProsaII Score
Table of Verify3D scores for ordered residues across all models
#verify3d
#Residue\Model only_model
16 0.28
17 0.64
18 -0.26
19 0.23
20 0.71
21 1.06
22 -0.09
23 0.34
24 1.00
25 0.49
26 0.41
27 0.25
28 0.93
29 0.44
30 0.25
31 1.10
32 0.47
33 0.93
34 1.06
35 1.29
36 1.06
37 0.49
38 -1.13
39 1.10
40 0.28
41 1.10
42 0.71
43 -0.26
44 0.49
45 1.29
46 1.04
47 1.06
48 0.49
49 0.59
50 -0.33
51 1.10
52 1.25
53 0.28
54 0.66
55 0.55
56 0.49
57 1.00
58 0.34
59 -0.57
60 0.17
61 0.34
62 -0.80
63 1.10
64 0.29
65 0.14
66 0.47
67 0.49
68 0.47
69 0.25
70 -0.68
71 0.49
72 0.25
73 0.28
74 0.47
75 1.10
76 0.66
77 -0.10
78 -0.54
79 0.55
80 0.08
81 -0.74
82 -0.57
83 0.34
84 0.51
85 1.06
86 0.14
87 0.23
88 1.04
89 0.23
90 0.93
91 -0.80
92 0.14
93 0.51
94 0.49
95 1.62
96 -0.46
97 1.10
98 0.93
99 1.00
100 0.59
101 0.81
102 0.71
103 1.29
104 0.54
105 1.06
106 0.64
107 0.17
108 0.34
109 -0.33
110 -0.44
111 -0.03
112 -0.03
113 1.06
114 0.52
115 0.44
116 0.47
117 1.00
118 1.25
119 0.25
120 1.10
121 0.77
122 0.08
123 0.44
124 1.10
125 1.10
126 1.00
127 1.40
128 0.93
129 0.77
130 -1.13
131 1.10
132 1.04
133 0.49
134 -0.11
135 -0.46
136 0.10
137 -0.33
138 0.25
139 1.25
140 0.41
141 0.08
142 1.10
143 1.10
144 0.64
145 -0.10
146 0.51
147 -0.68
148 0.51
149 -0.33
150 0.77
151 -0.11
152 0.47
153 0.29
154 0.28
155 0.08
156 1.06
157 -0.57
158 0.34
159 -0.46
160 1.06
161 0.44
162 0.34
163 1.06
164 0.51
165 1.62
166 0.29
167 -0.54
168 0.49
169 -0.26
170 -0.26
171 0.29
172 0.28
173 0.24
174 0.51
184 0.08
185 0.49
186 0.49
187 0.77
188 0.81
189 0.10
190 1.06
191 1.06
192 1.10
193 -0.57
194 0.08
195 -0.68
196 0.28
197 0.20
208 0.04
209 0.64
210 -0.26
211 0.23
212 1.04
213 1.06
214 -0.09
215 0.34
216 1.00
217 0.49
218 0.41
219 0.25
220 0.93
221 0.44
222 0.25
223 1.10
224 0.47
225 0.93
226 1.06
227 1.29
228 1.06
229 -0.25
230 -1.13
231 1.10
232 0.28
233 1.10
234 0.24
235 -0.26
236 0.49
237 1.29
238 1.04
239 1.06
240 0.49
241 0.59
242 -0.33
243 1.10
244 1.14
245 0.28
246 1.00
247 0.55
248 0.49
249 1.00
250 0.51
251 0.25
252 0.34
253 0.34
254 -0.80
255 1.10
256 0.29
257 0.14
258 -0.10
259 0.49
260 0.47
261 0.25
262 -0.68
263 0.49
264 0.25
265 0.28
266 0.08
267 1.10
268 0.66
269 -0.10
270 -0.54
271 0.55
272 0.08
273 -0.09
274 -0.57
275 0.34
276 0.51
277 1.06
278 0.14
279 0.23
280 1.04
281 0.23
282 0.93
283 -0.80
284 0.14
285 0.51
286 -0.25
287 1.62
288 -0.46
289 1.10
290 0.93
291 1.00
292 0.59
293 0.81
294 0.71
295 1.29
296 0.54
297 1.06
298 0.64
299 0.17
300 0.34
301 0.77
302 -0.44
303 -0.03
304 -0.03
305 1.06
306 0.52
307 0.44
308 0.08
309 1.00
310 1.25
311 0.25
312 1.10
313 0.77
314 0.47
315 0.44
316 1.10
317 1.10
318 1.00
319 1.40
320 0.93
321 0.77
322 -1.13
323 1.10
324 1.04
325 0.49
326 0.64
327 0.28
328 -0.87
329 -0.68
330 0.25
331 1.25
332 0.41
333 0.08
334 1.10
335 1.10
336 0.64
337 -0.10
338 0.51
339 -0.68
340 0.51
341 -0.68
342 0.77
343 0.44
344 0.47
345 0.29
346 0.28
347 0.08
348 1.06
349 -0.57
350 0.34
351 -0.46
352 1.06
353 0.44
354 0.34
355 1.06
356 0.51
357 1.62
358 0.29
359 0.81
360 0.49
361 -0.26
362 -0.26
363 0.29
364 0.28
365 0.24
366 0.51
376 0.08
377 0.49
378 0.49
379 0.29
380 0.81
381 -0.87
382 1.06
383 1.06
384 1.10
385 0.25
386 0.08
387 -0.68
388 0.28
389 0.20
#Reported_Model_Average 0.442
#Overall_Average_Reported 0.442
Output from MolProbity
VdW violations from MAGE
JPEG image for MAGE VdW violation
Table of MAGE VdW violations for ordered residues across all models
#mage_clash
#Residue\Model only_model
16.000 2
17.000 0
18.000 1
19.000 1
20.000 0
21.000 2
22.000 2
23.000 0
24.000 2
25.000 0
26.000 0
27.000 0
28.000 2
29.000 0
30.000 0
31.000 1
32.000 1
33.000 3
34.000 3
35.000 2
36.000 1
37.000 1
38.000 2
39.000 1
40.000 1
41.000 1
42.000 2
43.000 0
44.000 0
45.000 1
46.000 3
47.000 1
48.000 1
49.000 1
50.000 1
51.000 0
52.000 0
53.000 0
54.000 3
55.000 0
56.000 0
57.000 5
58.000 0
59.000 6
60.000 1
61.000 0
62.000 1
63.000 0
64.000 1
65.000 0
66.000 0
67.000 0
68.000 0
69.000 1
70.000 0
71.000 0
72.000 0
73.000 1
74.000 4
75.000 0
76.000 0
77.000 2
78.000 5
79.000 1
80.000 0
81.000 1
82.000 6
83.000 3
84.000 2
85.000 2
86.000 0
87.000 0
88.000 0
89.000 0
90.000 5
91.000 2
92.000 0
93.000 1
94.000 2
95.000 0
96.000 1
97.000 1
98.000 0
99.000 2
100.000 0
101.000 0
102.000 0
103.000 0
104.000 0
105.000 4
106.000 0
107.000 0
108.000 0
109.000 8
110.000 0
111.000 0
112.000 0
113.000 0
114.000 1
115.000 0
116.000 0
117.000 0
118.000 0
119.000 0
120.000 0
121.000 0
122.000 1
123.000 0
124.000 0
125.000 0
126.000 3
127.000 0
128.000 5
129.000 3
130.000 2
131.000 0
132.000 1
133.000 2
134.000 2
135.000 2
136.000 2
137.000 0
138.000 0
139.000 2
140.000 0
141.000 1
142.000 0
143.000 0
144.000 0
145.000 1
146.000 3
147.000 0
148.000 1
149.000 1
150.000 0
151.000 0
152.000 1
153.000 2
154.000 0
155.000 0
156.000 1
157.000 0
158.000 0
159.000 1
160.000 1
161.000 1
162.000 0
163.000 1
164.000 0
165.000 0
166.000 0
167.000 0
168.000 1
169.000 0
170.000 0
171.000 0
172.000 0
173.000 1
174.000 0
175.000 0
176.000 0
177.000 0
178.000 0
179.000 0
180.000 0
181.000 0
182.000 0
183.000 0
184.000 5
185.000 0
186.000 0
187.000 0
188.000 2
189.000 1
190.000 1
191.000 0
192.000 0
193.000 1
194.000 1
195.000 0
196.000 0
197.000 0
198.000 0
199.000 0
200.000 0
201.000 0
202.000 0
203.000 0
204.000 0
205.000 0
206.000 0
207.000 0
208.000 1
209.000 0
210.000 1
211.000 1
212.000 0
213.000 2
214.000 2
215.000 0
216.000 2
217.000 0
218.000 0
219.000 0
220.000 1
221.000 0
222.000 0
223.000 1
224.000 1
225.000 2
226.000 3
227.000 2
228.000 1
229.000 1
230.000 2
231.000 1
232.000 1
233.000 1
234.000 1
235.000 0
236.000 0
237.000 1
238.000 3
239.000 1
240.000 0
241.000 1
242.000 1
243.000 0
244.000 0
245.000 0
246.000 3
247.000 0
248.000 0
249.000 5
250.000 0
251.000 6
252.000 1
253.000 0
254.000 1
255.000 0
256.000 1
257.000 0
258.000 0
259.000 0
260.000 0
261.000 1
262.000 0
263.000 0
264.000 0
265.000 1
266.000 4
267.000 0
268.000 0
269.000 2
270.000 4
271.000 1
272.000 0
273.000 1
274.000 6
275.000 3
276.000 2
277.000 2
278.000 0
279.000 0
280.000 0
281.000 0
282.000 5
283.000 2
284.000 0
285.000 1
286.000 2
287.000 0
288.000 1
289.000 1
290.000 0
291.000 2
292.000 0
293.000 0
294.000 0
295.000 0
296.000 0
297.000 4
298.000 0
299.000 0
300.000 0
301.000 8
302.000 0
303.000 0
304.000 0
305.000 0
306.000 1
307.000 0
308.000 0
309.000 0
310.000 0
311.000 0
312.000 0
313.000 0
314.000 1
315.000 0
316.000 0
317.000 0
318.000 3
319.000 0
320.000 5
321.000 3
322.000 2
323.000 0
324.000 1
325.000 2
326.000 2
327.000 2
328.000 2
329.000 0
330.000 0
331.000 2
332.000 0
333.000 1
334.000 0
335.000 0
336.000 0
337.000 1
338.000 3
339.000 0
340.000 1
341.000 1
342.000 0
343.000 0
344.000 1
345.000 2
346.000 0
347.000 0
348.000 1
349.000 0
350.000 0
351.000 1
352.000 1
353.000 1
354.000 0
355.000 1
356.000 0
357.000 0
358.000 0
359.000 1
360.000 1
361.000 0
362.000 0
363.000 0
364.000 0
365.000 0
366.000 0
367.000 0
368.000 0
369.000 0
370.000 0
371.000 0
372.000 0
373.000 0
374.000 0
375.000 0
376.000 4
377.000 0
378.000 0
379.000 0
380.000 2
381.000 1
382.000 1
383.000 1
384.000 0
385.000 1
386.000 1
387.000 0
388.000 0
389.000 0
#Reported_Model_Average 0.861
#Overall_Average_Reported 0.861
List of bad contacts calculated by MAGE
/farm/software/bin/probe
: 5342:M 301 LEU 2HD2 :M 297 LEU 3HD1 : -1.072: 54
: 5342:M 297 LEU 3HD1 :M 301 LEU CD2 : -0.787: 54
: 5342:M 301 LEU 3HD2 :M 301 LEU O : -0.567: 54
: 5342:M 297 LEU 2HD2 :M 301 LEU 3HD1 : -0.508: 56
: 5342:M 301 LEU 2HD2 :M 297 LEU CD1 : -0.462: 54
: 5342:M 301 LEU C :M 301 LEU 3HD2 : -0.414: 54
: 5342:M 109 LEU 2HD2 :M 105 LEU 3HD1 : -1.020: 54
: 5342:M 105 LEU 3HD1 :M 109 LEU CD2 : -0.777: 54
: 5342:M 109 LEU 3HD2 :M 109 LEU O : -0.583: 54
: 5342:M 105 LEU 2HD2 :M 109 LEU 3HD1 : -0.518: 59
: 5342:M 109 LEU 2HD2 :M 105 LEU CD1 : -0.490: 54
: 5342:M 109 LEU C :M 109 LEU 3HD2 : -0.423: 54
: 5342:M 246 VAL H :M 270 ILE 1HG2 : -0.881: 74
: 5342:M 246 VAL H :M 270 ILE CG2 : -0.712: 74
: 5342:M 271 THR 3HG2 :M 270 ILE O : -0.541: 68
: 5342:M 270 ILE CG2 :M 246 VAL N : -0.416: 74
: 5342:M 78 ILE 1HG2 :M 54 VAL H : -0.870: 74
: 5342:M 78 ILE CG2 :M 54 VAL H : -0.698: 74
: 5342:M 79 THR 3HG2 :M 78 ILE O : -0.551: 71
: 5342:M 78 ILE CG2 :M 54 VAL N : -0.417: 74
: 5342:M 48 ALA 1HB :M 78 ILE HB : -0.409: 66
: 5342:M 276 ASN HA :M 251 GLN 2HE2 : -0.840: 86
: 5342:M 276 ASN HA :M 251 GLN NE2 : -0.568: 86
: 5342:M 251 GLN CD :M 251 GLN H : -0.451: 89
: 5342:M 277 LEU CD1 :M 251 GLN 1HE2 : -0.448: 86
: 5342:M 277 LEU 3HD1 :M 251 GLN 1HE2 : -0.417: 86
: 5342:M 59 GLN 2HE2 :M 84 ASN HA : -0.832: 88
: 5342:M 84 ASN HA :M 59 GLN NE2 : -0.566: 88
: 5342:M 59 GLN CD :M 59 GLN H : -0.470: 87
: 5342:M 59 GLN 1HE2 :M 85 LEU CD1 : -0.438: 88
: 5342:M 59 GLN 1HE2 :M 85 LEU 3HD1 : -0.420: 88
: 5342:M 38 GLU OE1 :M 41 GLY 1HA : -0.714: 85
: 5342:M 35 CYS 2HB :M 38 GLU 2HB : -0.624: 71
: 5342:M 128 ILE 2HD1 :M 24 VAL CG2 : -0.623: 53
: 5342:M 99 VAL 2HG2 :M 35 CYS HA : -0.606: 51
: 5342:M 128 ILE 2HD1 :M 24 VAL 1HG2 : -0.512: 53
: 5342:M 99 VAL 2HG1 :M 128 ILE CG2 : -0.464: 39
: 5342:M 21 LEU CD1 :M 128 ILE 3HD1 : -0.462: 53
: 5342:M 21 LEU 3HD1 :M 128 ILE 3HD1 : -0.432: 53
: 5342:M 230 GLU OE1 :M 233 GLY 1HA : -0.701: 85
: 5342:M 320 ILE 2HD1 :M 216 VAL CG2 : -0.636: 52
: 5342:M 227 CYS HA :M 291 VAL 2HG2 : -0.624: 49
: 5342:M 230 GLU 2HB :M 227 CYS 2HB : -0.624: 67
: 5342:M 320 ILE 2HD1 :M 216 VAL 1HG2 : -0.542: 52
: 5342:M 320 ILE 3HD1 :M 213 LEU CD1 : -0.456: 52
: 5342:M 320 ILE CG2 :M 291 VAL 2HG1 : -0.455: 36
: 5342:M 213 LEU 3HD1 :M 320 ILE 3HD1 : -0.409: 52
: 5342:M 82 GLN 2HG :M 83 SER H : -0.700: 87
: 5342:M 82 GLN 2HB :M 57 VAL 3HG1 : -0.629: 79
: 5342:M 82 GLN CG :M 83 SER H : -0.564: 87
: 5342:M 90 ILE H :M 90 ILE 3HD1 : -0.527: 52
: 5342:M 90 ILE 1HG2 :M 34 LEU CD2 : -0.521: 64
: 5342:M 82 GLN CB :M 57 VAL 2HG2 : -0.506: 79
: 5342:M 90 ILE 3HD1 :M 90 ILE N : -0.475: 52
: 5342:M 34 LEU 1HD1 :M 57 VAL 1HG2 : -0.467: 50
: 5342:M 82 GLN 1HB :M 57 VAL 2HG2 : -0.461: 79
: 5342:M 82 GLN 2HG :M 83 SER N : -0.452: 87
: 5342:M 57 VAL CG2 :M 34 LEU 1HD1 : -0.441: 50
: 5342:M 275 SER H :M 274 GLN 2HG : -0.681: 84
: 5342:M 249 VAL 3HG1 :M 274 GLN 2HB : -0.633: 77
: 5342:M 282 ILE H :M 282 ILE 3HD1 : -0.541: 54
: 5342:M 282 ILE 1HG2 :M 226 LEU CD2 : -0.538: 62
: 5342:M 274 GLN CG :M 275 SER H : -0.529: 84
: 5342:M 249 VAL 2HG2 :M 274 GLN CB : -0.498: 77
: 5342:M 282 ILE N :M 282 ILE 3HD1 : -0.478: 54
: 5342:M 249 VAL 1HG2 :M 226 LEU 1HD1 : -0.460: 54
: 5342:M 274 GLN 2HG :M 275 SER N : -0.460: 84
: 5342:M 249 VAL 2HG2 :M 274 GLN 1HB : -0.457: 77
: 5342:M 226 LEU 1HD1 :M 249 VAL CG2 : -0.438: 54
: 5342:M 210 ASN O :M 214 VAL 3HG1 : -0.674: 36
: 5342:M 214 VAL 2HG2 :M 211 ASP O : -0.479: 39
: 5342:M 22 VAL 3HG1 :M 18 ASN O : -0.668: 34
: 5342:M 19 ASP O :M 22 VAL 2HG2 : -0.488: 44
: 5342:M 188 ILE 2HD1 :M 156 LEU CD1 : -0.646: 50
: 5342:M 152 LYS 1HG :M 134 PRO 2HG : -0.511: 42
: 5342:M 133 ALA 2HB :M 188 ILE 3HG2 : -0.414: 36
: 5342:M 134 PRO 1HD :M 133 ALA 1HB : -0.410: 36
: 5342:M 348 LEU CD1 :M 380 ILE 2HD1 : -0.644: 54
: 5342:M 326 PRO 2HG :M 344 LYS 1HG : -0.530: 38
: 5342:M 326 PRO 1HD :M 325 ALA 1HB : -0.430: 34
: 5342:M 380 ILE 3HG2 :M 325 ALA 2HB : -0.411: 34
: 5342:M 94 ALA 3HB :M 91 VAL 3HG2 : -0.631: 56
: 5342:M 94 ALA CB :M 91 VAL 3HG2 : -0.629: 56
: 5342:M 283 VAL 3HG2 :M 286 ALA 3HB : -0.621: 50
: 5342:M 286 ALA CB :M 283 VAL 3HG2 : -0.621: 50
: 5342:M 74 LYS 2HD :M 45 CYS 2HB : -0.619: 79
: 5342:M 74 LYS NZ :M 46 PHE HA : -0.575: 57
: 5342:M 46 PHE HA :M 74 LYS 1HZ : -0.504: 57
: 5342:M 49 SER 1HB :M 74 LYS 1HE : -0.420: 73
: 5342:M 50 LEU 3HD1 :M 46 PHE O : -0.401: 36
: 5342:M 237 CYS 2HB :M 266 LYS 2HD : -0.608: 78
: 5342:M 238 PHE HA :M 266 LYS NZ : -0.582: 54
: 5342:M 238 PHE HA :M 266 LYS 1HZ : -0.461: 54
: 5342:M 266 LYS 1HE :M 241 SER 1HB : -0.424: 70
: 5342:M 238 PHE O :M 242 LEU 3HD1 : -0.412: 39
: 5342:M 261 GLN O :M 265 GLU 2HG : -0.601: 64
: 5342:M 73 GLU 2HG :M 69 GLN O : -0.591: 66
: 5342:M 33 ILE 1HG2 :M 47 LEU 3HD1 : -0.589: 38
: 5342:M 126 VAL CG2 :M 28 ILE 1HG1 : -0.572: 34
: 5342:M 126 VAL O :M 97 GLY 1HA : -0.526: 35
: 5342:M 193 GLN 1HB :M 126 VAL 2HG1 : -0.439: 23
: 5342:M 33 ILE 2HD1 :M 32 LYS C : -0.431: 48
: 5342:M 33 ILE 1HD1 :M 28 ILE CG2 : -0.403: 48
: 5342:M 321 LEU 3HD2 :M 322 GLU N : -0.585: 33
: 5342:M 321 LEU 3HD2 :M 321 LEU C : -0.466: 29
: 5342:M 381 GLN 1HG :M 322 GLU 1HG : -0.465: 46
: 5342:M 288 GLU 2HG :M 223 GLY 2HA : -0.581: 34
: 5342:M 220 ILE 1HG1 :M 318 VAL CG2 : -0.581: 32
: 5342:M 289 GLY 1HA :M 318 VAL O : -0.540: 33
: 5342:M 385 GLN 1HB :M 318 VAL 2HG1 : -0.426: 27
: 5342:M 239 LEU 3HD1 :M 225 ILE 1HG2 : -0.579: 36
: 5342:M 225 ILE 2HD1 :M 224 LYS C : -0.433: 50
: 5342:M 129 LEU 3HD2 :M 130 GLU N : -0.569: 35
: 5342:M 129 LEU C :M 129 LEU 3HD2 : -0.477: 31
: 5342:M 130 GLU 1HG :M 189 GLN 1HG : -0.449: 46
: 5342:M 96 GLU 2HG :M 31 GLY 2HA : -0.565: 35
: 5342:M 345 LEU 3HD2 :M 345 LEU C : -0.562: 36
: 5342:M 190 LEU 3HD2 :M 168 ALA HA : -0.558: 26
: 5342:M 386 LYS HA :M 355 LEU 2HD1 : -0.556: 29
: 5342:M 153 LEU C :M 153 LEU 3HD2 : -0.553: 37
: 5342:M 269 LYS O :M 269 LYS 1HG : -0.550: 63
: 5342:M 16 GLU N :M 42 ARG NE : -0.549: 77
: 5342:M 376 LYS 2HE :M 333 THR 3HG2 : -0.549: 71
: 5342:M 376 LYS O :M 376 LYS 2HG : -0.497: 65
: 5342:M 328 GLN 1HG :M 324 PHE CD1 : -0.431: 24
: 5342:M 16 GLU N :M 42 ARG HE : -0.426: 77
: 5342:M 376 LYS 1HD :M 331 TYR CD1 : -0.425: 71
: 5342:M 331 TYR HD2 :M 328 GLN HA : -0.419: 41
: 5342:M 194 LYS HA :M 163 LEU 2HD1 : -0.547: 27
: 5342:M 382 LEU 3HD2 :M 360 ALA HA : -0.546: 28
: 5342:M 184 LYS 2HE :M 141 THR 3HG2 : -0.546: 76
: 5342:M 184 LYS 2HG :M 184 LYS O : -0.518: 67
: 5342:M 136 GLN HA :M 139 TYR HD2 : -0.443: 49
: 5342:M 184 LYS 1HD :M 139 TYR CD1 : -0.432: 75
: 5342:M 132 PHE CD1 :M 136 GLN 1HG : -0.424: 23
: 5342:M 173 ARG 2HG :M 184 LYS HA : -0.401: 50
: 5342:M 77 LYS 1HG :M 77 LYS O : -0.531: 64
: 5342:M 135 GLU CD :M 135 GLU H : -0.484: 60
: 5342:M 306 TYR HD2 :M 351 GLU 2HB : -0.475: 37
: 5342:M 234 ARG CZ :M 208 GLU N : -0.475: 78
: 5342:M 340 ASP 2HB :M 338 ASP OD2 : -0.474: 64
: 5342:M 338 ASP 2HB :M 341 LEU 3HD1 : -0.461: 50
: 5342:M 338 ASP N :M 337 LYS 2HG : -0.454: 66
: 5342:M 160 LEU N :M 161 PRO CD : -0.473: 36
: 5342:M 352 LEU N :M 353 PRO CD : -0.470: 36
: 5342:M 327 GLU CD :M 327 GLU H : -0.469: 61
: 5342:M 114 TYR HD2 :M 159 GLU 2HB : -0.467: 40
: 5342:M 146 ASP N :M 145 LYS 2HG : -0.466: 66
: 5342:M 146 ASP OD2 :M 148 ASP 2HB : -0.463: 61
: 5342:M 149 LEU 3HD1 :M 146 ASP 2HB : -0.441: 47
: 5342:M 273 VAL HB :M 256 LEU 3HD1 : -0.459: 60
: 5342:M 285 ASP OD1 :M 314 LYS HA : -0.456: 67
: 5342:M 37 ALA C :M 36 LEU O : -0.455: 50
: 5342:M 93 ASP OD1 :M 122 LYS HA : -0.454: 69
: 5342:M 254 VAL 2HG1 :M 252 SER 2HB : -0.452: 72
: 5342:M 60 SER 2HB :M 62 VAL 2HG1 : -0.449: 71
: 5342:M 228 LEU O :M 229 ALA C : -0.447: 53
: 5342:M 81 VAL HB :M 64 LEU 3HD1 : -0.444: 60
: 5342:M 231 GLY O :M 232 GLU C : -0.418: 73
: 5342:M 39 GLY O :M 40 GLU C : -0.411: 75
: 5342:M 383 LEU 2HB :M 359 ILE HB : -0.408: 31
#sum2 ::30.14 clashscore : 12.93 clashscore B<40
#summary::5342 atoms:3016 atoms B<40:596750 potential dots:37300.0 A^2:161 bumps:39 bumps B<40:1264 score
Output from PDB validation software
Summary from PDB validation
May. 10, 20:03:06 2013
Greetings,
[ Text modified to reflect that this was run under PSVS - Aneerban Bhattacharya: Dec 2005 ]
The following checks were made on :
-----------------------------------------
DISTANCES AND ANGLES
We have checked your intra and intermolecular distances and angles with the
procedures currently in place at PDB:
==> The following solvent molecules are further away than 3.5 Angstroms from
macromolecule atoms which are available for hydrogen bonding in the
asymmetric unit.
none
The coordinates for water molecules which could be translated back into
the asymmetric unit are listed. If you do not indicate otherwise we will
replace the solvent coordinates in the entry with the ones below:
none
==> Close contacts in same asymmetric unit. Distances smaller than 2.2
Angstroms are considered as close contacts.
none
==> Close contacts based on crystal symmetry. Distances smaller than 2.2
Angstroms are considered as close contacts.
none
==> Bond and angle checks are performed by first computing the average rms
error for all bonds and angles relative to standard values for nucleotide
units [L. Clowney et al., Geometric Parameters in Nucleic Acids: Nitrogenous
Bases, J.Am.Chem.Soc. 1996, 118, 509-518; A. Gelbin et al., Geometric
Parameters in Nucleic Acids: Sugar and Phosphate Constituents, J.Am.Chem.Soc.
1996, 118, 519-529] and amino acid units [R.A. Engh and R. Huber, Accurate
Bond and Angle Parameters for X-ray protein structure refinement, Acta
Crystallogr. 1991, A47, 392-400]. Any bond or angle which deviates from the
dictionary values by more than six times this computed rms error is
identified as an outlier.
*** Covalent Bond Lengths:
The RMS deviation for covalent bonds relative to the standard
dictionary is 0.007 Angstroms
All covalent bonds lie within a 6.0*RMSD range about the
standard dictionary values.
*** Covalent Angle Values:
The RMS deviation for covalent angles relative to the standard
dictionary is 1.3 degrees.
The following table contains a list of the covalent bond angles
greater than 6.0*RMSD.
Deviation Residue Chain Sequence AT1 - AT2 - AT3 Bond Dictionary
Name ID Number Angle Value
--------------------------------------------------------------------------------
9.0 VAL A 54 N - CA - C 120.2 111.2
-8.5 GLU A 130 N - CA - C 102.7 111.2
9.5 PRO A 161 N - CA - C 121.3 111.8
-9.7 ASN A 170 N - CA - C 101.5 111.2
9.1 VAL B 54 N - CA - C 120.3 111.2
-8.6 GLU B 130 N - CA - C 102.6 111.2
9.6 PRO B 161 N - CA - C 121.4 111.8
-9.8 ASN B 170 N - CA - C 101.4 111.2
TORSION ANGLES
The torsion angle distributions have been checked. The postscript file of the
conformation rings showing the torsion angle distributions will be sent in a
separate E-mail message.
CHIRALITY
The chirality has been checked and there are no incorrect carbon chiral centers.
Some of O1P and O2P atoms do not follow the convention defined in the standard
IUBMB nomenclature (Liebecq, C. Compendium of Biochemical Nomenclature and Related
Documents, 2nd ed.; Portland Press: London and Chapel Hill, 1992). If you do not
indicate otherwise, we will switch the labels of O1P and O2P as shown below.
OTHER IMPORTANT ISSUES
==> Please check carefully REMARKS 3 and 200 and fill in the parameters as
appropriate.
SEQUENCE WARNING: Residue (A ASN 174 ) and Residue (A LYS 184 ) are not linked
Distance of C-N bond is 5.81
SEQUENCE WARNING: Residue (B ASN 174 ) and Residue (B LYS 184 ) are not linked
Distance of C-N bond is 5.82