# -------------- SUMMARY OF RESTRAINTS --------------- # TOTAL NUMBER OF NOE RESTRAINTS : 1200 # INTRA-RESIDUE RESTRAINTS (I=J) : 221 # SEQUENTIAL RESTRAINTS (I-J)=1 : 360 # BACKBONE-BACKBONE : 119 # BACKBONE-SIDE CHAIN : 23 # SIDE CHAIN-SIDE CHAIN : 218 # MEDIUM RANGE RESTRAINTS 1<(I-J)<5 : 244 # BACKBONE-BACKBONE : 64 # BACKBONE-SIDE CHAIN : 53 # SIDE CHAIN-SIDE CHAIN : 127 # LONG RANGE RESTRAINTS (I-J)>=5 : 375 # TOTAL HYDROGEN BOND RESTRAINTS : 0 # LONG RANGE H-BOND RESTR. (I-J)>=5 : 0 # DISULFIDE RESTRAINTS : 0 # INTRA-CHAIN RESTRAINTS : 1200 # INTER-CHAIN RESTRAINTS : 0 # AMBIGUOUS RESTRAINTS : 0 # ----------------------------------------------------- # ----------------------------------------------------- # ----------------------------------------------------- # RES # INTRA INTER seq med lng InterChain MET 1 0 0.0 0.0 0.0 0.0 0.0 THR 2 0 2.0 1.0 0.0 1.0 0.0 LEU 3 4 8.0 2.5 1.5 4.0 0.0 ILE 4 3 15.5 5.0 0.0 10.5 0.0 TYR 5 2 19.5 6.0 1.5 12.0 0.0 LYS 6 4 14.5 4.5 0.0 10.0 0.0 ILE 7 7 14.5 4.5 0.0 10.0 0.0 LEU 8 4 16.0 4.0 1.5 10.5 0.0 SER 9 0 8.0 3.5 2.5 2.0 0.0 ARG 10 4 11.5 3.5 5.0 3.0 0.0 ALA 11 0 4.5 2.5 2.0 0.0 0.0 GLU 12 2 8.5 2.5 6.0 0.0 0.0 TRP 13 6 32.0 3.0 10.5 18.5 0.0 ASP 14 0 10.0 4.5 5.5 0.0 0.0 ALA 15 0 7.5 4.0 3.5 0.0 0.0 ALA 16 0 12.0 2.0 6.5 3.5 0.0 LYS 17 9 12.5 3.0 7.5 2.0 0.0 ALA 18 0 6.0 4.5 1.5 0.0 0.0 GLN 19 3 10.0 3.5 6.5 0.0 0.0 GLY 20 0 4.0 1.5 1.0 1.5 0.0 ARG 21 5 12.0 2.5 2.5 7.0 0.0 PHE 22 3 15.5 3.5 0.0 12.0 0.0 GLU 23 2 4.0 1.5 0.0 2.5 0.0 GLY 24 0 3.5 0.0 2.0 1.5 0.0 SER 25 0 4.0 0.5 3.0 0.5 0.0 ALA 26 0 4.5 2.0 2.5 0.0 0.0 VAL 27 3 7.0 3.5 3.0 0.5 0.0 ASP 28 0 10.0 3.5 4.5 2.0 0.0 LEU 29 5 6.0 2.5 3.5 0.0 0.0 ALA 30 0 5.5 2.0 3.5 0.0 0.0 ASP 31 0 3.5 2.0 1.5 0.0 0.0 GLY 32 0 3.0 1.5 1.5 0.0 0.0 PHE 33 2 7.0 3.0 1.0 3.0 0.0 ILE 34 4 16.5 4.0 1.5 11.0 0.0 HIS 35 1 5.0 3.0 0.0 2.0 0.0 LEU 36 5 13.5 3.5 1.5 8.5 0.0 SER 37 0 10.5 4.0 2.0 4.5 0.0 ALA 38 0 8.0 2.5 2.0 3.5 0.0 GLY 39 0 6.0 1.0 1.5 3.5 0.0 GLU 40 2 3.5 1.5 2.0 0.0 0.0 GLN 41 2 10.0 2.5 5.0 2.5 0.0 ALA 42 0 13.0 2.5 4.5 6.0 0.0 GLN 43 2 11.0 2.5 2.5 6.0 0.0 GLU 44 2 6.0 3.0 3.0 0.0 0.0 THR 45 2 11.0 3.0 6.0 2.0 0.0 ALA 46 0 10.5 2.5 5.0 3.0 0.0 ALA 47 0 7.5 2.0 3.0 2.5 0.0 LYS 48 8 7.5 6.0 1.5 0.0 0.0 TRP 49 6 10.5 7.5 3.0 0.0 0.0 PHE 50 2 16.0 5.5 5.0 5.5 0.0 ARG 51 3 6.0 6.0 0.0 0.0 0.0 GLY 52 0 5.0 4.0 0.0 1.0 0.0 GLN 53 1 10.0 3.0 6.0 1.0 0.0 ALA 54 0 6.5 5.0 1.5 0.0 0.0 ASN 55 4 5.5 5.0 0.0 0.5 0.0 LEU 56 5 15.0 4.0 4.5 6.5 0.0 VAL 57 2 18.0 3.5 1.5 13.0 0.0 LEU 58 3 12.0 3.5 0.5 8.0 0.0 LEU 59 4 16.5 3.0 1.5 12.0 0.0 ALA 60 0 8.5 2.5 0.5 5.5 0.0 VAL 61 3 11.0 3.0 1.0 7.0 0.0 GLU 62 3 7.0 2.5 0.0 4.5 0.0 ALA 63 0 10.0 2.5 2.0 5.5 0.0 GLU 64 1 4.5 4.5 0.0 0.0 0.0 PRO 65 0 4.5 4.0 0.5 0.0 0.0 LEU 66 5 5.0 2.5 2.0 0.5 0.0 GLY 67 0 4.0 3.0 1.0 0.0 0.0 GLU 68 3 4.5 4.0 0.5 0.0 0.0 ASP 69 0 7.5 4.0 1.0 2.5 0.0 LEU 70 4 13.5 3.5 3.0 7.0 0.0 LYS 71 2 7.5 4.0 0.0 3.5 0.0 TRP 72 7 15.0 3.5 2.0 9.5 0.0 GLU 73 0 4.0 2.5 0.0 1.5 0.0 ALA 74 0 3.0 1.5 0.0 1.5 0.0 SER 75 0 1.5 1.0 0.0 0.5 0.0 ARG 76 1 0.5 0.5 0.0 0.0 0.0 GLY 77 0 0.0 0.0 0.0 0.0 0.0 GLY 78 0 1.0 1.0 0.0 0.0 0.0 ALA 79 0 4.5 2.0 1.5 1.0 0.0 ARG 80 0 6.0 3.5 0.0 2.5 0.0 PHE 81 2 10.0 4.0 1.5 4.5 0.0 PRO 82 0 9.5 2.5 0.0 7.0 0.0 HIS 83 1 8.0 2.5 1.0 4.5 0.0 LEU 84 1 17.5 5.0 4.5 8.0 0.0 TYR 85 3 10.5 4.5 1.0 5.0 0.0 ARG 86 6 7.5 3.0 3.5 1.0 0.0 PRO 87 0 6.5 4.0 0.5 2.0 0.0 LEU 88 2 14.5 5.0 2.0 7.5 0.0 LEU 89 7 15.0 5.5 4.5 5.0 0.0 VAL 90 3 15.0 4.5 1.5 9.0 0.0 SER 91 0 4.5 2.5 1.5 0.5 0.0 GLU 92 1 6.5 1.0 4.5 1.0 0.0 VAL 93 3 13.0 3.5 3.0 6.5 0.0 THR 94 2 8.5 4.5 0.0 4.0 0.0 ARG 95 4 7.0 4.0 0.5 2.5 0.0 GLU 96 2 10.0 4.5 1.0 4.5 0.0 ALA 97 0 6.0 2.5 0.0 3.5 0.0 ASP 98 0 3.0 2.5 0.0 0.5 0.0 LEU 99 4 7.0 4.5 0.0 2.5 0.0 ASP 100 0 4.5 4.5 0.0 0.0 0.0 LEU 101 4 12.0 4.5 2.0 5.5 0.0 ASP 102 0 7.5 4.5 2.0 1.0 0.0 ALA 103 0 4.0 3.0 1.0 0.0 0.0 ASP 104 0 7.0 3.0 4.0 0.0 0.0 GLY 105 0 6.5 3.0 3.5 0.0 0.0 VAL 106 3 12.0 2.0 6.5 3.5 0.0 PRO 107 0 4.0 1.0 0.0 3.0 0.0 GLN 108 3 7.0 1.5 3.0 2.5 0.0 LEU 109 7 16.0 2.5 9.0 4.5 0.0 GLY 110 0 3.5 1.5 2.0 0.0 0.0 ASP 111 0 2.5 2.0 0.5 0.0 0.0 HIS 112 1 9.5 3.5 5.5 0.5 0.0 LEU 113 4 11.5 4.5 4.0 3.0 0.0 ALA 114 0 3.0 3.0 0.0 0.0 0.0 LEU 115 2 2.0 2.0 0.0 0.0 0.0 GLU 116 1 1.5 1.5 0.0 0.0 0.0 # TOTAL 221 979.0 360.0 244.0 375.0 0.0 # TOTAL NUMBER OF RESTRAINTS (CHECKING): 1200.0