| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 44 | Very low | 63.8 | Low | 248 Ų | 248 | 140 Ų | 140 | 100% | 1.222 | 73% | 0.732 | S | S | * | * | 0 | 103.5 | 0 | -96.1 | 165.1 | 157.4 | 0 | 0 | 108.7 | R3 | M1-R3 PolarHBondContact O-N 3.12Š| |||
| 2 | T | 60.5 | Low | 64.9 | Low | 145 Ų | 145 | 135.6 Ų | 135.6 | 89% | 0.89 | 72% | 0.715 | S | S | * | * | trans | -82.1 | 98.9 | -176.5 | -52.1 | 0 | 0 | 0 | 0 | 109.7 | R4 | T2-R4 PolarHBondContact O-N 3.45Š| ||
| 3 | R | 53.3 | Low | 66 | Low | 245 Ų | 245 | 139.8 Ų | 139.8 | 93% | 0.925 | 72% | 0.715 | S | S | * | * | trans | -84.7 | 108 | 177.4 | -161.5 | 178.9 | -173.9 | -149.2 | 2.1 | 108.9 | M1 N5 | M1-R3 PolarHBondContact O-N 3.12Å; R3-N5 PolarHBondContact O-N 2.85Å | ||
| 4 | R | 61 | Low | 66.9 | Low | 220 Ų | 220 | 134.6 Ų | 134.6 | 83% | 0.83 | 70% | 0.697 | S | S | * | * | trans | -50.7 | 127 | 177.2 | -71.7 | -179.7 | -105.7 | 174.2 | -4.1 | 110.3 | T2 T6 | T2-R4 PolarHBondContact O-N 3.45Å; R4-T6 PolarHBondContact O-N 3.08Å | ||
| 5 | N | 56.8 | Low | 67.7 | Low | 154 Ų | 154 | 136.7 Ų | 136.7 | 82% | 0.824 | 69% | 0.693 | S | S | * | * | trans | -56.6 | 102.3 | 168.6 | -175.2 | 10.8 | 0 | 0 | 0 | 108 | R3 G7 | R3-N5 PolarHBondContact O-N 2.85Å; N5-G7 PolarHBondContact O-N 3.07Å | ||
| 6 | T | 63.1 | Low | 68.5 | Low | 126 Ų | 126 | 138.1 Ų | 138.1 | 77% | 0.773 | 69% | 0.693 | S | S | * | * | trans | -72.7 | 86.7 | 172 | 46.5 | 0 | 0 | 0 | 0 | 106.6 | R4 S8 | R4-T6 PolarHBondContact O-N 3.08Å; T6-S8 PolarHBondContact O-N 3.1Å | ||
| 7 | G | 65 | Low | 69.1 | Low | 37 Ų | 37 | 133.6 Ų | 133.6 | 38% | 0.381 | 68% | 0.682 | S | S | . | * | trans | -46.4 | 119.2 | 167.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | N5 V9 | N5-G7 PolarHBondContact O-N 3.07Å; G7-V9 PolarHBondContact O-N 3.24Å | ||
| 8 | S | 73 | Confident | 69.6 | Low | 67 Ų | 67 | 129.2 Ų | 129.2 | 47% | 0.469 | 67% | 0.665 | S | S | . | * | trans | -54.3 | 137 | -177.5 | 176.7 | 0 | 0 | 0 | 0 | 108.4 | T6 S10 E11 V12 | T6-S8 PolarHBondContact O-N 3.1Å; S8-S10 WeakPolarHBondContact CB-OG 3.4Å; S8-S10 PolarHBondContact O-N 3.03Å; S8-S10 PolarHBondContact OG-OG 3.44Å; S8-E11 WeakPolarHBondContact O-CA 3.42Å; S8-E11 VanDerWaalsContact O-CB 3.3Å; S8-E11 WeakPolarHBondContact O-CB 3.29Å; S8-E11 PolarHBondContact O-N 3.26Å; S8-V12 PolarHBondContact O-N 3.48Å | ||
| 9 | V | 73.8 | Confident | 69.6 | Low | 118 Ų | 118 | 128.2 Ų | 128.2 | 72% | 0.715 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -52.3 | -28.6 | 179.7 | 177.4 | 0 | 0 | 0 | 0 | 111.7 | G7 R13 | G7-V9 PolarHBondContact O-N 3.24Å; V9-R13 PolarHBondContact O-N 3.22Å; V9-R13 VanDerWaalsContact O-N 3.09Å |
| 10 | S | 76.4 | Confident | 69.6 | Low | 79 Ų | 79 | 128 Ų | 128 | 55% | 0.552 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -63.2 | -37.7 | 173.1 | 58 | 0 | 0 | 0 | 0 | 113.7 | S8 R13 S14 | S8-S10 WeakPolarHBondContact CB-OG 3.4Å; S8-S10 PolarHBondContact O-N 3.03Å; S8-S10 PolarHBondContact OG-OG 3.44Å; S10-R13 PolarHBondContact O-N 3.42Å; S10-S14 WeakPolarHBondContact O-CB 3.26Å; S10-S14 PolarHBondContact O-N 3.36Å |
| 11 | E | 75.5 | Confident | 69.5 | Low | 101 Ų | 101 | 125 Ų | 125 | 47% | 0.472 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -70 | -41.6 | -180 | -147.2 | -174.3 | 156.7 | 0 | 0 | 110.3 | S8 R13 S14 R15 | S8-E11 WeakPolarHBondContact O-CA 3.42Å; S8-E11 VanDerWaalsContact O-CB 3.3Å; S8-E11 WeakPolarHBondContact O-CB 3.29Å; S8-E11 PolarHBondContact O-N 3.26Å; E11-R13 VanDerWaalsContact C-N 3.34Å; E11-R13 PolarHBondContact O-N 2.88Å; E11-S14 WeakPolarHBondContact CA-OG 3.49Å; E11-S14 PolarHBondContact O-N 3.43Å; E11-S14 PolarHBondContact O-OG 2.86Å; E11-R15 WeakPolarHBondContact O-CG 3.3Å; E11-R15 PolarHBondContact O-N 3.2Å |
| 12 | V | 76.4 | Confident | 70.3 | Confident | 87 Ų | 87 | 120 Ų | 120 | 53% | 0.527 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -60.6 | -44.4 | 173.7 | -178.8 | 0 | 0 | 0 | 0 | 110.9 | S8 R15 F16 | S8-V12 PolarHBondContact O-N 3.48Å; V12-R15 PolarHBondContact O-N 2.9Å; V12-F16 PolarHBondContact O-N 2.93Å; V12-F16 VanDerWaalsContact O-N 3.08Å |
| 13 | R | 78.9 | Confident | 70.2 | Confident | 191 Ų | 191 | 118.2 Ų | 118.2 | 72% | 0.721 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -64.4 | -40.2 | 176.1 | -172.2 | -176.7 | -73.2 | -87.9 | 3.3 | 112 | V9 S10 E11 R15 F16 A17 | V9-R13 PolarHBondContact O-N 3.22Å; V9-R13 VanDerWaalsContact O-N 3.09Å; S10-R13 PolarHBondContact O-N 3.42Å; E11-R13 VanDerWaalsContact C-N 3.34Å; E11-R13 PolarHBondContact O-N 2.88Å; R13-R15 VanDerWaalsContact C-N 3.34Å; R13-F16 PolarHBondContact O-N 3.13Å; R13-A17 PolarHBondContact O-N 3.11Å |
| 14 | S | 79.5 | Confident | 70.2 | Confident | 66 Ų | 66 | 111.4 Ų | 111.4 | 46% | 0.462 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -64.9 | -38.3 | 177.7 | 73.7 | 0 | 0 | 0 | 0 | 112.1 | S10 E11 A17 S18 | S10-S14 WeakPolarHBondContact O-CB 3.26Å; S10-S14 PolarHBondContact O-N 3.36Å; E11-S14 WeakPolarHBondContact CA-OG 3.49Å; E11-S14 PolarHBondContact O-N 3.43Å; E11-S14 PolarHBondContact O-OG 2.86Å; S14-A17 PolarHBondContact O-N 2.83Å; S14-S18 WeakPolarHBondContact O-CB 3.5Å; S14-S18 PolarHBondContact O-N 2.99Å; S14-S18 PolarHBondContact O-OG 2.92Å |
| 15 | R | 79.1 | Confident | 69.9 | Low | 167 Ų | 167 | 105.9 Ų | 105.9 | 63% | 0.63 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -62.7 | -46 | 173.9 | -76.9 | -178.7 | 161.5 | -161.1 | -6.4 | 111.4 | E11 V12 R13 A17 S18 L19 | E11-R15 WeakPolarHBondContact O-CG 3.3Å; E11-R15 PolarHBondContact O-N 3.2Å; V12-R15 PolarHBondContact O-N 2.9Å; R13-R15 VanDerWaalsContact C-N 3.34Å; R15-A17 VanDerWaalsContact C-N 3.35Å; R15-A17 PolarHBondContact O-N 3.28Å; R15-S18 WeakPolarHBondContact CA-OG 3.22Å; R15-S18 PolarHBondContact O-N 3.49Å; R15-S18 PolarHBondContact O-OG 3.32Å; R15-L19 VanDerWaalsContact O-CG 3.28Å; R15-L19 WeakPolarHBondContact O-CG 3.41Å; R15-L19 PolarHBondContact O-N 2.78Å |
| 16 | F | 79.5 | Confident | 69.7 | Low | 159 Ų | 159 | 102.8 Ų | 102.8 | 70% | 0.697 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -60.2 | -44.7 | 176.6 | -118.7 | -87.6 | 0 | 0 | 0 | 112.1 | V12 R13 S18 L19 D20 | V12-F16 PolarHBondContact O-N 2.93Å; V12-F16 VanDerWaalsContact O-N 3.08Å; R13-F16 PolarHBondContact O-N 3.13Å; F16-S18 VanDerWaalsContact C-N 3.34Å; F16-S18 PolarHBondContact O-N 3.34Å; F16-L19 PolarHBondContact O-N 3.5Å; F16-D20 PolarHBondContact O-N 3.33Å; F16-D20 VanDerWaalsContact O-N 3.15Å |
| 17 | A | 78.8 | Confident | 69 | Low | 62 Ų | 62 | 100.2 Ų | 100.2 | 51% | 0.512 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -65 | -35.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | R13 S14 R15 S21 | R13-A17 PolarHBondContact O-N 3.11Å; S14-A17 PolarHBondContact O-N 2.83Å; R15-A17 VanDerWaalsContact C-N 3.35Å; R15-A17 PolarHBondContact O-N 3.28Å; A17-S21 PolarHBondContact O-N 2.94Å; A17-S21 PolarHBondContact O-OG 2.75Å |
| 18 | S | 77.6 | Confident | 68.1 | Low | 53 Ų | 53 | 104.9 Ų | 104.9 | 37% | 0.371 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -72.7 | -31 | 176.7 | 65.7 | 0 | 0 | 0 | 0 | 113.6 | S14 R15 F16 S21 M22 | S14-S18 WeakPolarHBondContact O-CB 3.5Å; S14-S18 PolarHBondContact O-N 2.99Å; S14-S18 PolarHBondContact O-OG 2.92Å; R15-S18 WeakPolarHBondContact CA-OG 3.22Å; R15-S18 PolarHBondContact O-N 3.49Å; R15-S18 PolarHBondContact O-OG 3.32Å; F16-S18 VanDerWaalsContact C-N 3.34Å; F16-S18 PolarHBondContact O-N 3.34Å; S18-S21 PolarHBondContact O-OG 2.88Å; S18-S21 VanDerWaalsContact O-OG 3.12Å; S18-M22 WeakPolarHBondContact O-CB 3.36Å; S18-M22 WeakPolarHBondContact O-CG 3.46Å; S18-M22 PolarHBondContact O-N 2.93Å |
| 19 | L | 71.1 | Confident | 66.9 | Low | 110 Ų | 110 | 105.9 Ų | 105.9 | 58% | 0.576 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -70.2 | -42.8 | 176.2 | -71.9 | 171.9 | 0 | 0 | 0 | 110.7 | R15 F16 S21 M22 E23 | R15-L19 VanDerWaalsContact O-CG 3.28Å; R15-L19 WeakPolarHBondContact O-CG 3.41Å; R15-L19 PolarHBondContact O-N 2.78Å; F16-L19 PolarHBondContact O-N 3.5Å; L19-S21 VanDerWaalsContact C-N 3.33Å; L19-S21 PolarHBondContact O-N 3.33Å; L19-M22 PolarHBondContact O-N 2.87Å; L19-E23 PolarHBondContact O-N 3.28Å; L19-E23 VanDerWaalsContact O-N 3.08Å |
| 20 | D | 68.4 | Low | 65.7 | Low | 124 Ų | 124 | 106.5 Ų | 106.5 | 66% | 0.663 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -62.3 | -39.6 | 176.7 | -162.5 | 48.9 | 0 | 0 | 0 | 111.8 | F16 S24 | F16-D20 PolarHBondContact O-N 3.33Å; F16-D20 VanDerWaalsContact O-N 3.15Å; D20-S24 PolarHBondContact O-N 2.9Å |
| 21 | S | 67.4 | Low | 64.8 | Low | 67 Ų | 67 | 106.7 Ų | 106.7 | 47% | 0.469 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -75.3 | -30.9 | 177 | 68.3 | 0 | 0 | 0 | 0 | 114.1 | A17 S18 L19 S24 S25 | A17-S21 PolarHBondContact O-N 2.94Å; A17-S21 PolarHBondContact O-OG 2.75Å; S18-S21 PolarHBondContact O-OG 2.88Å; S18-S21 VanDerWaalsContact O-OG 3.12Å; L19-S21 VanDerWaalsContact C-N 3.33Å; L19-S21 PolarHBondContact O-N 3.33Å; S21-S24 PolarHBondContact O-N 3.05Å; S21-S25 PolarHBondContact O-N 3.48Å |
| 22 | M | 61.5 | Low | 63.7 | Low | 143 Ų | 143 | 110 Ų | 110 | 70% | 0.704 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -67.9 | -36.2 | 172.9 | -85.7 | -175.5 | 147 | 0 | 0 | 112.2 | S18 L19 S24 S25 | S18-M22 WeakPolarHBondContact O-CB 3.36Å; S18-M22 WeakPolarHBondContact O-CG 3.46Å; S18-M22 PolarHBondContact O-N 2.93Å; L19-M22 PolarHBondContact O-N 2.87Å; M22-S24 VanDerWaalsContact C-N 3.3Å; M22-S24 PolarHBondContact O-N 3.48Å; M22-S25 PolarHBondContact O-N 2.88Å |
| 23 | E | 57.9 | Low | 62.7 | Low | 106 Ų | 106 | 109.6 Ų | 109.6 | 50% | 0.495 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -65.3 | -34.9 | 175.4 | -168.3 | 176.5 | 143.7 | 0 | 0 | 111.7 | L19 S25 S26 R32 | L19-E23 PolarHBondContact O-N 3.28Å; L19-E23 VanDerWaalsContact O-N 3.08Å; E23-S25 PolarHBondContact O-N 3.49Å; E23-S26 PolarHBondContact O-OG 2.95Å; E23-R32 IonicContact OE1-CZ 3.15Å; E23-R32 IonicContact OE1-NH1 2.69Å; E23-R32 PolarHBondContact OE1-NH1 3.35Å; E23-R32 IonicContact OE1-NH2 2.81Å; E23-R32 PolarHBondContact OE1-NH2 2.96Å |
| 24 | S | 53.8 | Low | 61.7 | Low | 103 Ų | 103 | 110.2 Ų | 110.2 | 72% | 0.72 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -70.4 | -28.1 | 176.8 | 177.7 | 0 | 0 | 0 | 0 | 113.9 | D20 S21 M22 | D20-S24 PolarHBondContact O-N 2.9Å; S21-S24 PolarHBondContact O-N 3.05Å; M22-S24 VanDerWaalsContact C-N 3.3Å; M22-S24 PolarHBondContact O-N 3.48Å |
| 25 | S | 53.5 | Low | 61 | Low | 103 Ų | 103 | 112.3 Ų | 112.3 | 72% | 0.72 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -87.5 | -10.1 | -175.3 | -78.4 | 0 | 0 | 0 | 0 | 115.1 | S21 M22 E23 G27 | S21-S25 PolarHBondContact O-N 3.48Å; M22-S25 PolarHBondContact O-N 2.88Å; E23-S25 PolarHBondContact O-N 3.49Å; S25-G27 PolarHBondContact O-N 3.46Å |
| 26 | S | 54.5 | Low | 60.1 | Low | 89 Ų | 89 | 107.5 Ų | 107.5 | 62% | 0.622 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -79.1 | 65.9 | 173.3 | 59.3 | 0 | 0 | 0 | 0 | 112 | E23 L28 | E23-S26 PolarHBondContact O-OG 2.95Å; S26-L28 VanDerWaalsContact C-N 3.33Å; S26-L28 PolarHBondContact O-N 3.29Å |
| 27 | G | 47.4 | Very low | 59.1 | Low | 73 Ų | 73 | 104.6 Ų | 104.6 | 75% | 0.753 | 62% | 0.619 | S | S | * | * | S | Bend | 63.3 | 5.2 | 126 | 0 | 0 | 0 | 0 | 0 | 122 | S25 | S25-G27 PolarHBondContact O-N 3.46Š| |
| 28 | L | 46.9 | Very low | 58.3 | Low | 134 Ų | 134 | 104.3 Ų | 104.3 | 70% | 0.702 | 61% | 0.609 | S | S | * | * | trans | -127.4 | 111.8 | 161.9 | -77 | 109.7 | 0 | 0 | 0 | 108.4 | S26 Y30 | S26-L28 VanDerWaalsContact C-N 3.33Å; S26-L28 PolarHBondContact O-N 3.29Å; L28-Y30 VanDerWaalsContact C-N 3.27Å; L28-Y30 HydrophobicContact CB-CD2 4.09Å; L28-Y30 HydrophobicContact CB-CE2 4.07Å; L28-Y30 HydrophobicContact CD2-CE2 4.49Å; L28-Y30 PolarHBondContact O-N 3.37Å | ||
| 29 | G | 48.1 | Very low | 57.7 | Low | 88 Ų | 88 | 104.7 Ų | 104.7 | 91% | 0.907 | 61% | 0.606 | S | S | * | * | trans | -65.4 | 80.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 30 | Y | 47.5 | Very low | 57.3 | Low | 132 Ų | 132 | 101.1 Ų | 101.1 | 52% | 0.518 | 59% | 0.591 | S | S | . | * | trans | -99.4 | 108 | 162.9 | -73.6 | -76.6 | 0 | 0 | 0 | 107.9 | L28 R32 S40 | L28-Y30 VanDerWaalsContact C-N 3.27Å; L28-Y30 HydrophobicContact CB-CD2 4.09Å; L28-Y30 HydrophobicContact CB-CE2 4.07Å; L28-Y30 HydrophobicContact CD2-CE2 4.49Å; L28-Y30 PolarHBondContact O-N 3.37Å; Y30-R32 PolarHBondContact O-N 2.75Å; Y30-S40 VanDerWaalsContact CD1-OG 3.24Å; Y30-S40 WeakPolarHBondContact CD1-OG 3.01Å; Y30-S40 WeakPolarHBondContact CE1-OG 3.44Å | ||
| 31 | S | 58 | Low | 57.1 | Low | 83 Ų | 83 | 101 Ų | 101 | 58% | 0.58 | 59% | 0.586 | S | S | * | * | trans | -66 | 105.6 | 167.2 | -64.8 | 0 | 0 | 0 | 0 | 107.2 | L33 | S31-L33 PolarHBondContact O-N 3.43Š| ||
| 32 | R | 51.7 | Low | 57 | Low | 170 Ų | 170 | 104 Ų | 104 | 64% | 0.642 | 59% | 0.591 | S | S | * | * | B | Isolated β-bridge | trans | -66 | 113.8 | 166 | -81.3 | -177.5 | 147.4 | 115.6 | -22.8 | 107.3 | E23 Y30 I38 | E23-R32 IonicContact OE1-CZ 3.15Å; E23-R32 IonicContact OE1-NH1 2.69Å; E23-R32 PolarHBondContact OE1-NH1 3.35Å; E23-R32 IonicContact OE1-NH2 2.81Å; E23-R32 PolarHBondContact OE1-NH2 2.96Å; Y30-R32 PolarHBondContact O-N 2.75Å; R32-I38 HydrophobicContact CG-CG2 4.13Å |
| 33 | L | 55.8 | Low | 56.6 | Low | 79 Ų | 79 | 103.8 Ų | 103.8 | 41% | 0.414 | 59% | 0.588 | S | S | . | * | trans | -66.9 | 148.3 | 169.3 | -69.1 | 163.3 | 0 | 0 | 0 | 108.5 | S31 D35 G36 F37 D39 | S31-L33 PolarHBondContact O-N 3.43Å; L33-D35 VanDerWaalsContact CB-OD1 3.32Å; L33-D35 WeakPolarHBondContact CB-OD1 3.49Å; L33-D35 PolarHBondContact O-N 2.78Å; L33-G36 PolarHBondContact O-N 3.21Å; L33-F37 PolarHBondContact N-O 2.91Å; L33-D39 WeakPolarHBondContact CD1-OD1 3.44Å; L33-D39 WeakPolarHBondContact CG-OD1 3.45Å | ||
| 34 | H | 57.7 | Low | 56.5 | Low | 204 Ų | 204 | 101.9 Ų | 101.9 | 94% | 0.944 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | -0.3 | -167.1 | -158.7 | -75.7 | 0 | 0 | 0 | 114.3 | ||
| 35 | D | 64.2 | Low | 56.5 | Low | 109 Ų | 109 | 101.7 Ų | 101.7 | 58% | 0.583 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.9 | 11.7 | -180 | 51.9 | 1 | 0 | 0 | 0 | 113.6 | L33 F37 | L33-D35 VanDerWaalsContact CB-OD1 3.32Å; L33-D35 WeakPolarHBondContact CB-OD1 3.49Å; L33-D35 PolarHBondContact O-N 2.78Å; D35-F37 VanDerWaalsContact C-N 3.34Å; D35-F37 HydrophobicContact CB-CD2 4.02Å; D35-F37 HydrophobicContact CB-CE2 4.34Å; D35-F37 WeakPolarHBondContact O-CD2 3.39Å |
| 36 | G | 61.7 | Low | 56.7 | Low | 66 Ų | 66 | 105.4 Ų | 105.4 | 68% | 0.68 | 58% | 0.583 | S | S | * | * | S | Bend | trans | 84 | 10.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114 | L33 | L33-G36 PolarHBondContact O-N 3.21Š|
| 37 | F | 57.6 | Low | 56.9 | Low | 98 Ų | 98 | 107.3 Ų | 107.3 | 43% | 0.43 | 58% | 0.582 | S | S | . | * | trans | -96.4 | 138.6 | 173 | -63 | -89.4 | 0 | 0 | 0 | 110.5 | L33 D35 F42 | L33-F37 PolarHBondContact N-O 2.91Å; D35-F37 VanDerWaalsContact C-N 3.34Å; D35-F37 HydrophobicContact CB-CD2 4.02Å; D35-F37 HydrophobicContact CB-CE2 4.34Å; D35-F37 WeakPolarHBondContact O-CD2 3.39Å; F37-F42 HydrophobicContact CB-CE2 3.98Å; F37-F42 HydrophobicContact CB-CZ 4.29Å; F37-F42 HydrophobicContact CD1-CZ 4.27Å; F37-F42 HydrophobicContact CG-CZ 4.37Å | ||
| 38 | I | 62.8 | Low | 57.3 | Low | 56 Ų | 56 | 109.5 Ų | 109.5 | 29% | 0.287 | 58% | 0.581 | S | S | . | * | B | Isolated β-bridge | trans | -96 | 134.8 | 171.1 | 41.9 | 154.5 | 0 | 0 | 0 | 108.2 | R32 S40 Q41 | R32-I38 HydrophobicContact CG-CG2 4.13Å; I38-S40 VanDerWaalsContact CD1-OG 3.25Å; I38-S40 WeakPolarHBondContact CD1-OG 3.43Å; I38-S40 PolarHBondContact O-N 3.29Å; I38-Q41 HydrophobicContact CD1-CG 3.68Å; I38-Q41 HydrophobicContact CG1-CB 4.28Å; I38-Q41 VanDerWaalsContact CG1-CD 3.42Å; I38-Q41 HydrophobicContact CG1-CG 3.58Å; I38-Q41 VanDerWaalsContact CG1-OE1 3.29Å; I38-Q41 WeakPolarHBondContact O-CB 3.47Å; I38-Q41 PolarHBondContact O-N 3.45Å |
| 39 | D | 64.7 | Low | 58.1 | Low | 61 Ų | 61 | 106 Ų | 106 | 33% | 0.326 | 56% | 0.563 | S | S | . | * | G | 310 helix | trans | -52.5 | -34.1 | -179 | -65.1 | -21.9 | 0 | 0 | 0 | 112.5 | L33 Q41 F42 H43 | L33-D39 WeakPolarHBondContact CD1-OD1 3.44Å; L33-D39 WeakPolarHBondContact CG-OD1 3.45Å; D39-Q41 PolarHBondContact O-N 2.85Å; D39-Q41 VanDerWaalsContact O-N 3.13Å; D39-F42 PolarHBondContact O-N 3.44Å; D39-H43 PolarHBondContact O-CD2 2.67Å; D39-H43 VanDerWaalsContact O-CD2 3.29Å |
| 40 | S | 62.1 | Low | 59.5 | Low | 35 Ų | 35 | 106 Ų | 106 | 25% | 0.245 | 55% | 0.546 | C | S | . | . | G | 310 helix | trans | -55.4 | -25.9 | 175.2 | 24.4 | 0 | 0 | 0 | 0 | 115 | Y30 I38 F42 H43 | Y30-S40 VanDerWaalsContact CD1-OG 3.24Å; Y30-S40 WeakPolarHBondContact CD1-OG 3.01Å; Y30-S40 WeakPolarHBondContact CE1-OG 3.44Å; I38-S40 VanDerWaalsContact CD1-OG 3.25Å; I38-S40 WeakPolarHBondContact CD1-OG 3.43Å; I38-S40 PolarHBondContact O-N 3.29Å; S40-F42 VanDerWaalsContact C-N 3.26Å; S40-F42 PolarHBondContact O-N 2.97Å; S40-H43 PolarHBondContact O-N 2.98Å |
| 41 | Q | 63.7 | Low | 60.9 | Low | 121 Ų | 121 | 107.9 Ų | 107.9 | 57% | 0.565 | 55% | 0.553 | S | S | * | * | G | 310 helix | trans | -71 | -22.6 | 176.7 | -80.7 | 168.7 | -35.2 | 0 | 0 | 112.9 | I38 D39 | I38-Q41 HydrophobicContact CD1-CG 3.68Å; I38-Q41 HydrophobicContact CG1-CB 4.28Å; I38-Q41 VanDerWaalsContact CG1-CD 3.42Å; I38-Q41 HydrophobicContact CG1-CG 3.58Å; I38-Q41 VanDerWaalsContact CG1-OE1 3.29Å; I38-Q41 WeakPolarHBondContact O-CB 3.47Å; I38-Q41 PolarHBondContact O-N 3.45Å; D39-Q41 PolarHBondContact O-N 2.85Å; D39-Q41 VanDerWaalsContact O-N 3.13Å |
| 42 | F | 66.6 | Low | 62 | Low | 130 Ų | 130 | 112.8 Ų | 112.8 | 57% | 0.57 | 56% | 0.564 | S | S | * | * | G | 310 helix | trans | -92.2 | -2.8 | 176.6 | -59.3 | -74 | 0 | 0 | 0 | 113.1 | F37 D39 S40 L44 | F37-F42 HydrophobicContact CB-CE2 3.98Å; F37-F42 HydrophobicContact CB-CZ 4.29Å; F37-F42 HydrophobicContact CD1-CZ 4.27Å; F37-F42 HydrophobicContact CG-CZ 4.37Å; D39-F42 PolarHBondContact O-N 3.44Å; S40-F42 VanDerWaalsContact C-N 3.26Å; S40-F42 PolarHBondContact O-N 2.97Å; F42-L44 PolarHBondContact O-N 2.95Å |
| 43 | H | 52.9 | Low | 63.5 | Low | 140 Ų | 140 | 106.8 Ų | 106.8 | 65% | 0.648 | 55% | 0.55 | S | S | * | * | S | Bend | trans | -73.5 | 99.5 | 167.5 | -72.6 | -104.3 | 0 | 0 | 0 | 107.2 | D39 S40 | D39-H43 PolarHBondContact O-CD2 2.67Å; D39-H43 VanDerWaalsContact O-CD2 3.29Å; S40-H43 PolarHBondContact O-N 2.98Å |
| 44 | L | 54.6 | Low | 64.9 | Low | 65 Ų | 65 | 104.1 Ų | 104.1 | 34% | 0.34 | 54% | 0.536 | S | S | . | . | trans | -47.2 | 131.8 | 163.3 | -71.7 | 82 | 0 | 0 | 0 | 106.3 | F42 E46 | F42-L44 PolarHBondContact O-N 2.95Å; L44-E46 PolarHBondContact O-N 3.39Å; L44-E46 VanDerWaalsContact O-N 3.08Å | ||
| 45 | P | 55 | Low | 66.4 | Low | 99 Ų | 99 | 96 Ų | 96 | 64% | 0.643 | 51% | 0.508 | S | S | * | . | trans | -48.8 | 128.1 | -178.5 | 20.2 | -31.9 | 0 | 0 | 0 | 107.4 | Q47 | P45-Q47 PolarHBondContact O-N 3.23Š| ||
| 46 | E | 56.6 | Low | 67.5 | Low | 182 Ų | 182 | 96.4 Ų | 96.4 | 85% | 0.85 | 51% | 0.51 | S | S | * | . | trans | -58.3 | 93.2 | 172.6 | -75.3 | -173.5 | 140.1 | 0 | 0 | 105.8 | L44 T48 | L44-E46 PolarHBondContact O-N 3.39Å; L44-E46 VanDerWaalsContact O-N 3.08Å; E46-T48 PolarHBondContact O-N 3.39Å | ||
| 47 | Q | 59.3 | Low | 68.9 | Low | 128 Ų | 128 | 93.5 Ų | 93.5 | 60% | 0.598 | 48% | 0.48 | S | S | * | . | trans | -66.9 | 88.8 | 175.1 | 51.6 | -173.6 | -65.8 | 0 | 0 | 104.3 | P45 I49 | P45-Q47 PolarHBondContact O-N 3.23Å; Q47-I49 WeakPolarHBondContact O-CG1 3.23Å; Q47-I49 PolarHBondContact O-N 2.92Å | ||
| 48 | T | 56.9 | Low | 70.4 | Confident | 119 Ų | 119 | 91.3 Ų | 91.3 | 73% | 0.73 | 47% | 0.474 | S | S | * | . | trans | -60.8 | 98.3 | 179.4 | 53.1 | 0 | 0 | 0 | 0 | 105.4 | E46 P50 | E46-T48 PolarHBondContact O-N 3.39Å; T48-P50 WeakPolarHBondContact O-CD 3.23Å | ||
| 49 | I | 63 | Low | 71.9 | Confident | 61 Ų | 61 | 92.7 Ų | 92.7 | 31% | 0.313 | 49% | 0.485 | S | S | . | . | trans | -56.3 | 117.2 | -172.6 | -59 | 177.3 | 0 | 0 | 0 | 106 | Q47 W51 I54 A111 | Q47-I49 WeakPolarHBondContact O-CG1 3.23Å; Q47-I49 PolarHBondContact O-N 2.92Å; I49-W51 VanDerWaalsContact O-CD1 3.24Å; I49-W51 PolarHBondContact O-N 3.09Å; I49-I54 HydrophobicContact CG2-CD1 3.15Å; I49-I54 HydrophobicContact CG2-CG1 4.27Å; I49-A111 HydrophobicContact CD1-CB 4.17Å | ||
| 50 | P | 76.7 | Confident | 73.2 | Confident | 87 Ų | 87 | 93 Ų | 93 | 57% | 0.565 | 49% | 0.486 | S | S | * | . | trans | -72.7 | 84.9 | -176.2 | 27.5 | -32.6 | 0 | 0 | 0 | 108.6 | T48 K52 A53 I54 | T48-P50 WeakPolarHBondContact O-CD 3.23Å; P50-K52 PolarHBondContact O-N 3.35Å; P50-A53 HydrophobicContact CB-CB 4.06Å; P50-A53 HydrophobicContact CG-CB 4.09Å; P50-A53 WeakPolarHBondContact O-CA 3.26Å; P50-A53 WeakPolarHBondContact O-CB 3.43Å; P50-A53 PolarHBondContact O-N 3.45Å; P50-I54 PolarHBondContact O-N 3.28Å; P50-I54 VanDerWaalsContact O-N 3.16Å | ||
| 51 | W | 76.6 | Confident | 74.6 | Confident | 172 Ų | 172 | 94 Ų | 94 | 65% | 0.652 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -50.9 | -35.3 | -177.5 | -81.9 | 93.7 | 0 | 0 | 0 | 112.7 | I49 I54 G55 F112 | I49-W51 VanDerWaalsContact O-CD1 3.24Å; I49-W51 PolarHBondContact O-N 3.09Å; W51-I54 PolarHBondContact O-N 2.99Å; W51-G55 PolarHBondContact O-N 2.88Å; W51-F112 AromaticContact CH2-CE1 3.45Å; W51-F112 HydrophobicContact CH2-CE1 3.45Å; W51-F112 VanDerWaalsContact CH2-CE1 3.45Å; W51-F112 AromaticContact CH2-CZ 3.53Å; W51-F112 HydrophobicContact CH2-CZ 3.53Å; W51-F112 AromaticContact CZ2-CE1 3.92Å; W51-F112 HydrophobicContact CZ2-CE1 3.92Å; W51-F112 HydrophobicContact CZ2-CZ 4.21Å; W51-F112 HydrophobicContact CZ3-CE1 4.13Å; W51-F112 AromaticContact CZ3-CZ 3.72Å; W51-F112 HydrophobicContact CZ3-CZ 3.72Å |
| 52 | K | 80.9 | Confident | 76 | Confident | 186 Ų | 186 | 93 Ų | 93 | 81% | 0.809 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -61.6 | -44.4 | 175.5 | -59.1 | 179.9 | 71.1 | -174.3 | 0 | 111.7 | P50 G55 L56 | P50-K52 PolarHBondContact O-N 3.35Å; K52-G55 PolarHBondContact O-N 3.36Å; K52-L56 WeakPolarHBondContact O-CG 3.33Å; K52-L56 PolarHBondContact O-N 3.2Å; K52-L56 VanDerWaalsContact O-N 3.09Å |
| 53 | A | 84.4 | Confident | 77.3 | Confident | 44 Ų | 44 | 91.1 Ų | 91.1 | 36% | 0.364 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -67.7 | -38.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | P50 L56 A57 | P50-A53 HydrophobicContact CB-CB 4.06Å; P50-A53 HydrophobicContact CG-CB 4.09Å; P50-A53 WeakPolarHBondContact O-CA 3.26Å; P50-A53 WeakPolarHBondContact O-CB 3.43Å; P50-A53 PolarHBondContact O-N 3.45Å; A53-L56 PolarHBondContact O-N 2.84Å; A53-A57 WeakPolarHBondContact O-CB 3.37Å; A53-A57 PolarHBondContact O-N 3.48Å |
| 54 | I | 85.5 | Confident | 79.3 | Confident | 23 Ų | 23 | 84.5 Ų | 84.5 | 12% | 0.118 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -61.5 | -46.8 | 173.8 | -62.6 | 178.7 | 0 | 0 | 0 | 110.5 | I49 P50 W51 L56 A57 T58 A108 | I49-I54 HydrophobicContact CG2-CD1 3.15Å; I49-I54 HydrophobicContact CG2-CG1 4.27Å; P50-I54 PolarHBondContact O-N 3.28Å; P50-I54 VanDerWaalsContact O-N 3.16Å; W51-I54 PolarHBondContact O-N 2.99Å; I54-L56 VanDerWaalsContact C-N 3.3Å; I54-L56 PolarHBondContact O-N 2.93Å; I54-A57 PolarHBondContact O-N 3.24Å; I54-T58 WeakPolarHBondContact O-CB 3.26Å; I54-T58 PolarHBondContact O-N 3.37Å; I54-T58 PolarHBondContact O-OG1 3.35Å; I54-T58 VanDerWaalsContact O-OG1 3.07Å; I54-A108 HydrophobicContact CD1-CB 3.73Å; I54-A108 HydrophobicContact CG1-CB 4.09Å; I54-A108 HydrophobicContact CG2-CB 3.94Å |
| 55 | G | 87.7 | Confident | 81.2 | Confident | 35 Ų | 35 | 82.5 Ų | 82.5 | 36% | 0.361 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -57.9 | -42.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | W51 K52 T59 | W51-G55 PolarHBondContact O-N 2.88Å; K52-G55 PolarHBondContact O-N 3.36Å; G55-T59 WeakPolarHBondContact O-CB 3.48Å; G55-T59 PolarHBondContact O-N 3.46Å; G55-T59 PolarHBondContact O-OG1 2.85Å |
| 56 | L | 89.1 | Confident | 83.1 | Confident | 116 Ų | 116 | 80.9 Ų | 80.9 | 61% | 0.607 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -64.1 | -46.4 | 174.6 | -67.8 | -177.7 | 0 | 0 | 0 | 112 | K52 A53 I54 T58 T59 L60 | K52-L56 WeakPolarHBondContact O-CG 3.33Å; K52-L56 PolarHBondContact O-N 3.2Å; K52-L56 VanDerWaalsContact O-N 3.09Å; A53-L56 PolarHBondContact O-N 2.84Å; I54-L56 VanDerWaalsContact C-N 3.3Å; I54-L56 PolarHBondContact O-N 2.93Å; L56-T58 PolarHBondContact O-N 3.17Å; L56-T59 WeakPolarHBondContact O-CB 3.29Å; L56-T59 PolarHBondContact O-N 3.15Å; L56-L60 PolarHBondContact O-N 3.06Å |
| 57 | A | 89.9 | Confident | 84.8 | Confident | 6 Ų | 6 | 74.2 Ų | 74.2 | 5% | 0.05 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -61.3 | -43.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A53 I54 T59 L60 F61 G101 H104 | A53-A57 WeakPolarHBondContact O-CB 3.37Å; A53-A57 PolarHBondContact O-N 3.48Å; I54-A57 PolarHBondContact O-N 3.24Å; A57-T59 VanDerWaalsContact C-N 3.31Å; A57-T59 PolarHBondContact O-N 2.88Å; A57-L60 PolarHBondContact O-N 3.16Å; A57-F61 VanDerWaalsContact O-CB 3.31Å; A57-F61 WeakPolarHBondContact O-CB 3.48Å; A57-F61 PolarHBondContact O-N 2.78Å; A57-G101 WeakPolarHBondContact O-CA 3.43Å; A57-H104 HydrophobicContact CB-CB 3.38Å |
| 58 | T | 90.2 | Very high | 86.5 | Confident | 52 Ų | 52 | 70.1 Ų | 70.1 | 32% | 0.319 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.8 | -41.1 | 175.1 | -60.3 | 0 | 0 | 0 | 0 | 111.1 | I54 L56 F61 I62 | I54-T58 WeakPolarHBondContact O-CB 3.26Å; I54-T58 PolarHBondContact O-N 3.37Å; I54-T58 PolarHBondContact O-OG1 3.35Å; I54-T58 VanDerWaalsContact O-OG1 3.07Å; L56-T58 PolarHBondContact O-N 3.17Å; T58-F61 PolarHBondContact O-N 2.84Å; T58-I62 HydrophobicContact CG2-CD1 4.05Å; T58-I62 WeakPolarHBondContact O-CG1 3.32Å; T58-I62 PolarHBondContact O-N 3.33Å |
| 59 | T | 92.6 | Very high | 88.2 | Confident | 85 Ų | 85 | 69.3 Ų | 69.3 | 52% | 0.521 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.8 | -46.9 | 176.7 | -56 | 0 | 0 | 0 | 0 | 111.4 | G55 L56 A57 F61 I62 L63 | G55-T59 WeakPolarHBondContact O-CB 3.48Å; G55-T59 PolarHBondContact O-N 3.46Å; G55-T59 PolarHBondContact O-OG1 2.85Å; L56-T59 WeakPolarHBondContact O-CB 3.29Å; L56-T59 PolarHBondContact O-N 3.15Å; A57-T59 VanDerWaalsContact C-N 3.31Å; A57-T59 PolarHBondContact O-N 2.88Å; T59-F61 VanDerWaalsContact C-N 3.31Å; T59-F61 PolarHBondContact O-N 3.1Å; T59-I62 PolarHBondContact O-N 2.95Å; T59-L63 WeakPolarHBondContact O-CB 3.45Å; T59-L63 PolarHBondContact O-N 3.07Å |
| 60 | L | 92 | Very high | 89.5 | Confident | 66 Ų | 66 | 70.6 Ų | 70.6 | 35% | 0.346 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -60.8 | -39.6 | 175.1 | -101.3 | 66 | 0 | 0 | 0 | 112 | L56 A57 G64 P100 | L56-L60 PolarHBondContact O-N 3.06Å; A57-L60 PolarHBondContact O-N 3.16Å; L60-G64 WeakPolarHBondContact O-CA 3.34Å; L60-G64 PolarHBondContact O-N 3.32Å; L60-P100 HydrophobicContact CD2-CG 4.45Å |
| 61 | F | 91.8 | Very high | 90.1 | Very high | 56 Ų | 56 | 66.4 Ų | 66.4 | 25% | 0.246 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.4 | -46.2 | 177.4 | 177.1 | -97.9 | 0 | 0 | 0 | 111.8 | A57 T58 T59 S65 F98 F102 V105 | A57-F61 VanDerWaalsContact O-CB 3.31Å; A57-F61 WeakPolarHBondContact O-CB 3.48Å; A57-F61 PolarHBondContact O-N 2.78Å; T58-F61 PolarHBondContact O-N 2.84Å; T59-F61 VanDerWaalsContact C-N 3.31Å; T59-F61 PolarHBondContact O-N 3.1Å; F61-S65 WeakPolarHBondContact O-CB 3.48Å; F61-S65 PolarHBondContact O-N 3.28Å; F61-S65 PolarHBondContact O-OG 2.73Å; F61-F98 AromaticContact CD2-CD2 3.79Å; F61-F98 HydrophobicContact CD2-CD2 3.79Å; F61-F98 AromaticContact CD2-CE2 3.59Å; F61-F98 HydrophobicContact CD2-CE2 3.59Å; F61-F98 HydrophobicContact CD2-CZ 4.2Å; F61-F98 AromaticContact CE2-CD2 3.75Å; F61-F98 HydrophobicContact CE2-CD2 3.75Å; F61-F98 HydrophobicContact CE2-CE1 4.43Å; F61-F98 AromaticContact CE2-CE2 3.04Å; F61-F98 HydrophobicContact CE2-CE2 3.04Å; F61-F98 AromaticContact CE2-CZ 3.45Å; F61-F98 HydrophobicContact CE2-CZ 3.45Å; F61-F98 VanDerWaalsContact CE2-CZ 3.45Å; F61-F98 AromaticContact CZ-CE2 3.79Å; F61-F98 HydrophobicContact CZ-CE2 3.79Å; F61-F98 HydrophobicContact CZ-CZ 4.28Å; F61-F102 HydrophobicContact CD2-CB 3.97Å; F61-F102 HydrophobicContact CD2-CD2 4.46Å; F61-F102 HydrophobicContact CE2-CB 4.03Å; F61-F102 AromaticContact CE2-CD2 3.75Å; F61-F102 HydrophobicContact CE2-CD2 3.75Å; F61-F102 HydrophobicContact CE2-CG 4.38Å; F61-V105 HydrophobicContact CB-CG2 4.29Å |
| 62 | I | 94.1 | Very high | 90.7 | Very high | 101 Ų | 101 | 60.5 Ų | 60.5 | 52% | 0.518 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65.1 | -47 | 178 | -67 | 166.5 | 0 | 0 | 0 | 110.4 | T58 T59 S65 T66 | T58-I62 HydrophobicContact CG2-CD1 4.05Å; T58-I62 WeakPolarHBondContact O-CG1 3.32Å; T58-I62 PolarHBondContact O-N 3.33Å; T59-I62 PolarHBondContact O-N 2.95Å; I62-S65 PolarHBondContact O-N 3.07Å; I62-T66 WeakPolarHBondContact O-CB 3.41Å; I62-T66 PolarHBondContact O-N 3.44Å; I62-T66 PolarHBondContact O-OG1 3.37Å |
| 63 | L | 94.6 | Very high | 91 | Very high | 91 Ų | 91 | 55.9 Ų | 55.9 | 48% | 0.476 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.8 | -49.5 | 179.7 | -177 | 60.2 | 0 | 0 | 0 | 111.3 | T59 T66 L67 M97 | T59-L63 WeakPolarHBondContact O-CB 3.45Å; T59-L63 PolarHBondContact O-N 3.07Å; L63-T66 WeakPolarHBondContact O-CB 3.4Å; L63-T66 PolarHBondContact O-N 3.39Å; L63-L67 HydrophobicContact CD1-CD1 4.41Å; L63-L67 HydrophobicContact CG-CD1 4.11Å; L63-L67 WeakPolarHBondContact O-CD1 3.31Å; L63-L67 PolarHBondContact O-N 3.45Å; L63-M97 HydrophobicContact CD2-CE 3.75Å; L63-M97 HydrophobicContact CG-CE 4.12Å |
| 64 | G | 94.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.8 | -42.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L60 T66 L67 I68 | L60-G64 WeakPolarHBondContact O-CA 3.34Å; L60-G64 PolarHBondContact O-N 3.32Å; G64-T66 VanDerWaalsContact C-N 3.32Å; G64-T66 PolarHBondContact O-N 3.5Å; G64-L67 WeakPolarHBondContact O-CB 3Å; G64-L67 PolarHBondContact O-N 3.43Å; G64-I68 VanDerWaalsContact O-CG1 3.29Å; G64-I68 WeakPolarHBondContact O-CG1 3.31Å; G64-I68 PolarHBondContact O-N 2.9Å |
| 65 | S | 94.6 | Very high | 91 | Very high | 23 Ų | 23 | 58.5 Ų | 58.5 | 16% | 0.161 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.1 | -40.5 | 174.5 | -60.7 | 0 | 0 | 0 | 0 | 111.7 | F61 I62 I68 I69 F98 | F61-S65 WeakPolarHBondContact O-CB 3.48Å; F61-S65 PolarHBondContact O-N 3.28Å; F61-S65 PolarHBondContact O-OG 2.73Å; I62-S65 PolarHBondContact O-N 3.07Å; S65-I68 PolarHBondContact O-N 3.21Å; S65-I69 WeakPolarHBondContact O-CD1 3.29Å; S65-I69 VanDerWaalsContact O-CG1 3.23Å; S65-I69 WeakPolarHBondContact O-CG1 3.34Å; S65-I69 PolarHBondContact O-N 2.79Å; S65-F98 WeakPolarHBondContact OG-CE2 3.16Å |
| 66 | T | 94.1 | Very high | 90.9 | Very high | 65 Ų | 65 | 61.5 Ų | 61.5 | 40% | 0.399 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63 | -44.2 | 176.4 | -54.8 | 0 | 0 | 0 | 0 | 111.1 | I62 L63 G64 I68 I69 I70 | I62-T66 WeakPolarHBondContact O-CB 3.41Å; I62-T66 PolarHBondContact O-N 3.44Å; I62-T66 PolarHBondContact O-OG1 3.37Å; L63-T66 WeakPolarHBondContact O-CB 3.4Å; L63-T66 PolarHBondContact O-N 3.39Å; G64-T66 VanDerWaalsContact C-N 3.32Å; G64-T66 PolarHBondContact O-N 3.5Å; T66-I68 PolarHBondContact O-N 2.93Å; T66-I69 PolarHBondContact O-N 2.84Å; T66-I70 HydrophobicContact CG2-CD1 3.86Å; T66-I70 WeakPolarHBondContact O-CB 3.38Å; T66-I70 VanDerWaalsContact O-CG1 3.26Å; T66-I70 WeakPolarHBondContact O-CG1 3.44Å; T66-I70 PolarHBondContact O-N 3.28Å |
| 67 | L | 92.8 | Very high | 90.2 | Very high | 43 Ų | 43 | 58.5 Ų | 58.5 | 23% | 0.225 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60 | -43 | 174 | -79.4 | 144.9 | 0 | 0 | 0 | 112.2 | L63 G64 G71 V90 M97 | L63-L67 HydrophobicContact CD1-CD1 4.41Å; L63-L67 HydrophobicContact CG-CD1 4.11Å; L63-L67 WeakPolarHBondContact O-CD1 3.31Å; L63-L67 PolarHBondContact O-N 3.45Å; G64-L67 WeakPolarHBondContact O-CB 3Å; G64-L67 PolarHBondContact O-N 3.43Å; L67-G71 PolarHBondContact O-N 3.47Å; L67-V90 HydrophobicContact CD2-CG1 3.84Å; L67-M97 HydrophobicContact CD1-SD 4.13Å |
| 68 | I | 93.6 | Very high | 89.5 | Confident | 42 Ų | 42 | 66.5 Ų | 66.5 | 22% | 0.215 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -64.3 | -45.5 | 176.8 | -67.7 | 165.9 | 0 | 0 | 0 | 110.7 | G64 S65 T66 G71 A72 L91 I95 F98 | G64-I68 VanDerWaalsContact O-CG1 3.29Å; G64-I68 WeakPolarHBondContact O-CG1 3.31Å; G64-I68 PolarHBondContact O-N 2.9Å; S65-I68 PolarHBondContact O-N 3.21Å; T66-I68 PolarHBondContact O-N 2.93Å; I68-G71 PolarHBondContact O-N 3.23Å; I68-A72 VanDerWaalsContact O-CB 3.26Å; I68-A72 WeakPolarHBondContact O-CB 3.2Å; I68-A72 PolarHBondContact O-N 3.33Å; I68-L91 HydrophobicContact CG2-CD1 4.21Å; I68-I95 HydrophobicContact CD1-CG1 4.15Å; I68-I95 HydrophobicContact CG1-CG1 4.28Å; I68-F98 HydrophobicContact CD1-CB 3.82Å; I68-F98 HydrophobicContact CD1-CD2 4.03Å; I68-F98 HydrophobicContact CD1-CG 4.02Å |
| 69 | I | 92.7 | Very high | 88.5 | Confident | 102 Ų | 102 | 68.1 Ų | 68.1 | 52% | 0.523 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61.8 | -47.6 | 178.9 | -68.7 | 161.8 | 0 | 0 | 0 | 110.1 | S65 T66 G71 A72 L73 | S65-I69 WeakPolarHBondContact O-CD1 3.29Å; S65-I69 VanDerWaalsContact O-CG1 3.23Å; S65-I69 WeakPolarHBondContact O-CG1 3.34Å; S65-I69 PolarHBondContact O-N 2.79Å; T66-I69 PolarHBondContact O-N 2.84Å; I69-G71 PolarHBondContact O-N 3.45Å; I69-A72 PolarHBondContact O-N 2.93Å; I69-L73 HydrophobicContact CG2-CD1 3.91Å; I69-L73 HydrophobicContact CG2-CG 4.37Å; I69-L73 WeakPolarHBondContact O-CB 3.39Å; I69-L73 WeakPolarHBondContact O-CG 3.48Å; I69-L73 PolarHBondContact O-N 3.43Å |
| 70 | I | 90.7 | Very high | 87.3 | Confident | 87 Ų | 87 | 68.2 Ų | 68.2 | 45% | 0.446 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.8 | -45.9 | 177 | -66.6 | 167.3 | 0 | 0 | 0 | 110.4 | T66 A72 L73 L74 | T66-I70 HydrophobicContact CG2-CD1 3.86Å; T66-I70 WeakPolarHBondContact O-CB 3.38Å; T66-I70 VanDerWaalsContact O-CG1 3.26Å; T66-I70 WeakPolarHBondContact O-CG1 3.44Å; T66-I70 PolarHBondContact O-N 3.28Å; I70-A72 VanDerWaalsContact C-N 3.34Å; I70-A72 PolarHBondContact O-N 3.47Å; I70-L73 PolarHBondContact O-N 2.79Å; I70-L74 HydrophobicContact CG2-CD1 4.18Å; I70-L74 HydrophobicContact CG2-CG 4.38Å; I70-L74 WeakPolarHBondContact O-CB 3.41Å; I70-L74 VanDerWaalsContact O-CG 3.3Å; I70-L74 WeakPolarHBondContact O-CG 3.18Å; I70-L74 PolarHBondContact O-N 3.43Å |
| 71 | G | 90.1 | Very high | 86 | Confident | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -60.3 | -42 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | L67 I68 I69 L74 L75 T87 | L67-G71 PolarHBondContact O-N 3.47Å; I68-G71 PolarHBondContact O-N 3.23Å; I69-G71 PolarHBondContact O-N 3.45Å; G71-L74 PolarHBondContact O-N 2.74Å; G71-L75 WeakPolarHBondContact O-CB 3.39Å; G71-L75 PolarHBondContact O-N 2.84Å; G71-T87 WeakPolarHBondContact O-CG2 3.5Å |
| 72 | A | 88.7 | Confident | 85 | Confident | 47 Ų | 47 | 73.3 Ų | 73.3 | 39% | 0.388 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -67.5 | -39.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | I68 I69 I70 L75 S76 | I68-A72 VanDerWaalsContact O-CB 3.26Å; I68-A72 WeakPolarHBondContact O-CB 3.2Å; I68-A72 PolarHBondContact O-N 3.33Å; I69-A72 PolarHBondContact O-N 2.93Å; I70-A72 VanDerWaalsContact C-N 3.34Å; I70-A72 PolarHBondContact O-N 3.47Å; A72-L75 PolarHBondContact O-N 3.25Å; A72-S76 WeakPolarHBondContact O-CB 3.47Å; A72-S76 PolarHBondContact O-N 3.25Å |
| 73 | L | 88.1 | Confident | 83.9 | Confident | 90 Ų | 90 | 73.4 Ų | 73.4 | 47% | 0.471 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -65.3 | -40 | 175 | -72.1 | 172.3 | 0 | 0 | 0 | 112 | I69 I70 S76 F78 | I69-L73 HydrophobicContact CG2-CD1 3.91Å; I69-L73 HydrophobicContact CG2-CG 4.37Å; I69-L73 WeakPolarHBondContact O-CB 3.39Å; I69-L73 WeakPolarHBondContact O-CG 3.48Å; I69-L73 PolarHBondContact O-N 3.43Å; I70-L73 PolarHBondContact O-N 2.79Å; L73-S76 PolarHBondContact O-N 3.3Å; L73-F78 WeakPolarHBondContact O-CB 3.46Å; L73-F78 PolarHBondContact O-N 3.48Å |
| 74 | L | 86 | Confident | 82.9 | Confident | 37 Ų | 37 | 71.2 Ų | 71.2 | 19% | 0.194 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -62.7 | -44.5 | 172.8 | -71.2 | 176.6 | 0 | 0 | 0 | 111.1 | I70 G71 S76 G77 I79 T87 | I70-L74 HydrophobicContact CG2-CD1 4.18Å; I70-L74 HydrophobicContact CG2-CG 4.38Å; I70-L74 WeakPolarHBondContact O-CB 3.41Å; I70-L74 VanDerWaalsContact O-CG 3.3Å; I70-L74 WeakPolarHBondContact O-CG 3.18Å; I70-L74 PolarHBondContact O-N 3.43Å; G71-L74 PolarHBondContact O-N 2.74Å; L74-S76 VanDerWaalsContact C-N 3.33Å; L74-S76 PolarHBondContact O-N 3.16Å; L74-G77 PolarHBondContact O-N 3.45Å; L74-I79 HydrophobicContact CD2-CB 3.66Å; L74-I79 HydrophobicContact CD2-CD1 3.52Å; L74-I79 HydrophobicContact CD2-CG1 4.18Å; L74-I79 HydrophobicContact CD2-CG2 3.87Å; L74-T87 HydrophobicContact CB-CG2 3.81Å; L74-T87 WeakPolarHBondContact CB-OG1 3.43Å |
| 75 | L | 83.2 | Confident | 82.3 | Confident | 85 Ų | 85 | 77.8 Ų | 77.8 | 45% | 0.445 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -66.8 | -34.4 | 178.3 | -173.4 | 63.4 | 0 | 0 | 0 | 112.5 | G71 A72 G77 T87 | G71-L75 WeakPolarHBondContact O-CB 3.39Å; G71-L75 PolarHBondContact O-N 2.84Å; A72-L75 PolarHBondContact O-N 3.25Å; L75-G77 PolarHBondContact O-N 2.98Å; L75-T87 HydrophobicContact CB-CG2 4.19Å |
| 76 | S | 84.8 | Confident | 81.7 | Confident | 97 Ų | 97 | 84.3 Ų | 84.3 | 68% | 0.678 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -4.8 | 176.3 | -171.9 | 0 | 0 | 0 | 0 | 113.4 | A72 L73 L74 | A72-S76 WeakPolarHBondContact O-CB 3.47Å; A72-S76 PolarHBondContact O-N 3.25Å; L73-S76 PolarHBondContact O-N 3.3Å; L74-S76 VanDerWaalsContact C-N 3.33Å; L74-S76 PolarHBondContact O-N 3.16Å |
| 77 | G | 76.1 | Confident | 81.4 | Confident | 54 Ų | 54 | 81.4 Ų | 81.4 | 56% | 0.557 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.1 | 18.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | L74 L75 I79 | L74-G77 PolarHBondContact O-N 3.45Å; L75-G77 PolarHBondContact O-N 2.98Å; G77-I79 PolarHBondContact O-N 3.41Å |
| 78 | F | 74.9 | Confident | 81.2 | Confident | 173 Ų | 173 | 86.3 Ų | 86.3 | 76% | 0.759 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -70.3 | -24.8 | 176.4 | -149.9 | -92 | 0 | 0 | 0 | 112.3 | L73 | L73-F78 WeakPolarHBondContact O-CB 3.46Å; L73-F78 PolarHBondContact O-N 3.48Å |
| 79 | I | 68.7 | Low | 81.1 | Confident | 87 Ų | 87 | 88.2 Ų | 88.2 | 45% | 0.446 | 48% | 0.479 | S | S | . | . | S | Bend | trans | -127.8 | 134.5 | 175.8 | -69.5 | 149.1 | 0 | 0 | 0 | 106.8 | L74 G77 Y83 | L74-I79 HydrophobicContact CD2-CB 3.66Å; L74-I79 HydrophobicContact CD2-CD1 3.52Å; L74-I79 HydrophobicContact CD2-CG1 4.18Å; L74-I79 HydrophobicContact CD2-CG2 3.87Å; G77-I79 PolarHBondContact O-N 3.41Å; I79-Y83 HydrophobicContact CG2-CD2 4.07Å; I79-Y83 HydrophobicContact CG2-CE2 4.47Å |
| 80 | S | 66.3 | Low | 81 | Confident | 86 Ų | 86 | 85.7 Ų | 85.7 | 60% | 0.601 | 47% | 0.469 | S | S | * | . | trans | -31.1 | 131.3 | -168.5 | -50.3 | 0 | 0 | 0 | 0 | 115.4 | E82 Y83 | S80-E82 PolarHBondContact O-N 3.18Å; S80-Y83 WeakPolarHBondContact O-CD2 3.35Å; S80-Y83 PolarHBondContact O-N 2.72Å; S80-Y83 VanDerWaalsContact O-N 3.12Å | ||
| 81 | A | 64.8 | Low | 81.1 | Confident | 87 Ų | 87 | 82.8 Ų | 82.8 | 72% | 0.719 | 45% | 0.454 | S | S | * | . | G | 310 helix | trans | -52.6 | -17.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y83 S84 | A81-Y83 PolarHBondContact O-N 2.65Å; A81-Y83 VanDerWaalsContact O-N 3.1Å; A81-S84 VanDerWaalsContact O-CB 3.29Å; A81-S84 WeakPolarHBondContact O-CB 3.38Å; A81-S84 PolarHBondContact O-N 3.22Å |
| 82 | E | 71.4 | Confident | 81.3 | Confident | 142 Ų | 142 | 86.9 Ų | 86.9 | 66% | 0.664 | 48% | 0.475 | S | S | * | . | G | 310 helix | trans | -55.9 | -23.6 | 174.3 | -163.8 | -174.8 | 146.7 | 0 | 0 | 113.4 | S80 | S80-E82 PolarHBondContact O-N 3.18Š|
| 83 | Y | 71.1 | Confident | 81.6 | Confident | 104 Ų | 104 | 88.9 Ų | 88.9 | 41% | 0.408 | 48% | 0.479 | S | S | . | . | G | 310 helix | trans | -91.9 | -2.8 | 178.8 | -61.1 | -76.9 | 0 | 0 | 0 | 114.2 | I79 S80 A81 D85 R86 T87 | I79-Y83 HydrophobicContact CG2-CD2 4.07Å; I79-Y83 HydrophobicContact CG2-CE2 4.47Å; S80-Y83 WeakPolarHBondContact O-CD2 3.35Å; S80-Y83 PolarHBondContact O-N 2.72Å; S80-Y83 VanDerWaalsContact O-N 3.12Å; A81-Y83 PolarHBondContact O-N 2.65Å; A81-Y83 VanDerWaalsContact O-N 3.1Å; Y83-D85 VanDerWaalsContact C-N 3.29Å; Y83-D85 PolarHBondContact O-N 2.95Å; Y83-R86 WeakPolarHBondContact O-CA 3.28Å; Y83-R86 WeakPolarHBondContact O-CB 3.28Å; Y83-R86 PolarHBondContact O-N 3.35Å; Y83-T87 PolarHBondContact O-N 3.08Å; Y83-T87 VanDerWaalsContact O-N 3.08Å; Y83-T87 PolarHBondContact O-OG1 3.49Å; Y83-T87 VanDerWaalsContact O-OG1 3.07Å |
| 84 | S | 73.8 | Confident | 81.9 | Confident | 44 Ų | 44 | 84.6 Ų | 84.6 | 31% | 0.308 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -54.6 | -43.1 | -175.8 | -171.5 | 0 | 0 | 0 | 0 | 112.7 | A81 R86 T87 | A81-S84 VanDerWaalsContact O-CB 3.29Å; A81-S84 WeakPolarHBondContact O-CB 3.38Å; A81-S84 PolarHBondContact O-N 3.22Å; S84-R86 PolarHBondContact O-N 3.46Å; S84-T87 WeakPolarHBondContact O-CB 2.96Å; S84-T87 PolarHBondContact O-N 2.99Å; S84-T87 VanDerWaalsContact O-N 3.11Å |
| 85 | D | 81.8 | Confident | 82.3 | Confident | 139 Ų | 139 | 86.7 Ų | 86.7 | 74% | 0.743 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -61.7 | -29.3 | 178 | -63.9 | -16.3 | 0 | 0 | 0 | 112.5 | Y83 | Y83-D85 VanDerWaalsContact C-N 3.29Å; Y83-D85 PolarHBondContact O-N 2.95Å |
| 86 | R | 82.5 | Confident | 82.8 | Confident | 159 Ų | 159 | 87.6 Ų | 87.6 | 60% | 0.6 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -87.9 | -17.8 | -179.6 | -51.2 | -173.9 | -152.9 | -154.9 | 4.5 | 112.7 | Y83 S84 P89 | Y83-R86 WeakPolarHBondContact O-CA 3.28Å; Y83-R86 WeakPolarHBondContact O-CB 3.28Å; Y83-R86 PolarHBondContact O-N 3.35Å; S84-R86 PolarHBondContact O-N 3.46Å; R86-P89 WeakPolarHBondContact O-CD 3.31Å |
| 87 | T | 86.7 | Confident | 83.2 | Confident | 4 Ų | 4 | 85 Ų | 85 | 3% | 0.025 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -71.1 | -36.7 | -179.8 | -58.6 | 0 | 0 | 0 | 0 | 111.9 | G71 L74 L75 Y83 S84 V90 L91 | G71-T87 WeakPolarHBondContact O-CG2 3.5Å; L74-T87 HydrophobicContact CB-CG2 3.81Å; L74-T87 WeakPolarHBondContact CB-OG1 3.43Å; L75-T87 HydrophobicContact CB-CG2 4.19Å; Y83-T87 PolarHBondContact O-N 3.08Å; Y83-T87 VanDerWaalsContact O-N 3.08Å; Y83-T87 PolarHBondContact O-OG1 3.49Å; Y83-T87 VanDerWaalsContact O-OG1 3.07Å; S84-T87 WeakPolarHBondContact O-CB 2.96Å; S84-T87 PolarHBondContact O-N 2.99Å; S84-T87 VanDerWaalsContact O-N 3.11Å; T87-V90 PolarHBondContact O-N 3.02Å; T87-V90 VanDerWaalsContact O-N 3.13Å; T87-L91 PolarHBondContact O-N 2.77Å |
| 88 | W | 90 | Very high | 84 | Confident | 146 Ų | 146 | 85.2 Ų | 85.2 | 55% | 0.553 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -53.9 | -52 | -178.6 | -86.2 | 107.7 | 0 | 0 | 0 | 113.5 | V90 L91 I92 | W88-V90 VanDerWaalsContact C-N 3.33Å; W88-V90 PolarHBondContact O-N 3.29Å; W88-L91 PolarHBondContact O-N 3.22Å; W88-I92 HydrophobicContact CE3-CD1 4.44Å; W88-I92 VanDerWaalsContact O-CG1 3.26Å; W88-I92 WeakPolarHBondContact O-CG1 3.47Å; W88-I92 PolarHBondContact O-N 2.9Å |
| 89 | P | 91.9 | Very high | 84.7 | Confident | 82 Ų | 82 | 82 Ų | 82 | 53% | 0.532 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -57.5 | -40.9 | 175.3 | -27.3 | 33.6 | 0 | 0 | 0 | 114.1 | R86 I92 L93 | R86-P89 WeakPolarHBondContact O-CD 3.31Å; P89-I92 PolarHBondContact O-N 2.78Å; P89-L93 VanDerWaalsContact O-CB 3.23Å; P89-L93 WeakPolarHBondContact O-CB 3.21Å; P89-L93 PolarHBondContact O-N 3.03Å |
| 90 | V | 90.5 | Very high | 85.7 | Confident | 50 Ų | 50 | 80.4 Ų | 80.4 | 30% | 0.303 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -65.6 | -42.7 | -179.9 | 178.6 | 0 | 0 | 0 | 0 | 110.6 | L67 T87 W88 L93 G94 | L67-V90 HydrophobicContact CD2-CG1 3.84Å; T87-V90 PolarHBondContact O-N 3.02Å; T87-V90 VanDerWaalsContact O-N 3.13Å; W88-V90 VanDerWaalsContact C-N 3.33Å; W88-V90 PolarHBondContact O-N 3.29Å; V90-L93 PolarHBondContact O-N 2.91Å; V90-G94 PolarHBondContact O-N 3.2Å |
| 91 | L | 92.6 | Very high | 86.9 | Confident | 26 Ų | 26 | 76.3 Ų | 76.3 | 14% | 0.136 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -64.6 | -47.1 | 177.4 | -170.2 | 72.1 | 0 | 0 | 0 | 111.2 | I68 T87 W88 L93 G94 I95 | I68-L91 HydrophobicContact CG2-CD1 4.21Å; T87-L91 PolarHBondContact O-N 2.77Å; W88-L91 PolarHBondContact O-N 3.22Å; L91-L93 PolarHBondContact O-N 3.13Å; L91-G94 PolarHBondContact O-N 3.31Å; L91-I95 HydrophobicContact CG-CD1 4.27Å; L91-I95 WeakPolarHBondContact O-CG1 3.29Å; L91-I95 PolarHBondContact O-N 3.29Å |
| 92 | I | 94.1 | Very high | 88 | Confident | 86 Ų | 86 | 76.7 Ų | 76.7 | 44% | 0.441 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.9 | -45.7 | 177.5 | -67.7 | 165.8 | 0 | 0 | 0 | 110.5 | W88 P89 G94 I95 I96 | W88-I92 HydrophobicContact CE3-CD1 4.44Å; W88-I92 VanDerWaalsContact O-CG1 3.26Å; W88-I92 WeakPolarHBondContact O-CG1 3.47Å; W88-I92 PolarHBondContact O-N 2.9Å; P89-I92 PolarHBondContact O-N 2.78Å; I92-G94 PolarHBondContact O-N 3.33Å; I92-I95 PolarHBondContact O-N 2.86Å; I92-I96 HydrophobicContact CG2-CD1 3.81Å; I92-I96 HydrophobicContact CG2-CG1 4.45Å; I92-I96 VanDerWaalsContact O-CG1 3.31Å; I92-I96 WeakPolarHBondContact O-CG1 3.46Å; I92-I96 PolarHBondContact O-N 3.5Å |
| 93 | L | 93.9 | Very high | 88.7 | Confident | 89 Ų | 89 | 75.8 Ų | 75.8 | 47% | 0.466 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61 | -44.4 | 176.9 | -177.7 | 67.6 | 0 | 0 | 0 | 111.7 | P89 V90 L91 I95 I96 M97 | P89-L93 VanDerWaalsContact O-CB 3.23Å; P89-L93 WeakPolarHBondContact O-CB 3.21Å; P89-L93 PolarHBondContact O-N 3.03Å; V90-L93 PolarHBondContact O-N 2.91Å; L91-L93 PolarHBondContact O-N 3.13Å; L93-I95 VanDerWaalsContact C-N 3.33Å; L93-I95 PolarHBondContact O-N 3.07Å; L93-I96 PolarHBondContact O-N 3.47Å; L93-M97 HydrophobicContact CD1-SD 4.45Å; L93-M97 HydrophobicContact CG-SD 4.19Å; L93-M97 WeakPolarHBondContact O-CG 3.48Å; L93-M97 PolarHBondContact O-N 3.42Å |
| 94 | G | 94.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -58.3 | -44.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | V90 L91 I92 M97 F98 | V90-G94 PolarHBondContact O-N 3.2Å; L91-G94 PolarHBondContact O-N 3.31Å; I92-G94 PolarHBondContact O-N 3.33Å; G94-M97 PolarHBondContact O-N 3.37Å; G94-F98 WeakPolarHBondContact O-CB 3.25Å; G94-F98 PolarHBondContact O-N 2.69Å |
| 95 | I | 94.4 | Very high | 90 | Very high | 81 Ų | 81 | 74.9 Ų | 74.9 | 42% | 0.415 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.8 | -45.2 | 175.5 | -66.7 | 165.9 | 0 | 0 | 0 | 111.1 | I68 L91 I92 L93 M97 F98 I99 | I68-I95 HydrophobicContact CD1-CG1 4.15Å; I68-I95 HydrophobicContact CG1-CG1 4.28Å; L91-I95 HydrophobicContact CG-CD1 4.27Å; L91-I95 WeakPolarHBondContact O-CG1 3.29Å; L91-I95 PolarHBondContact O-N 3.29Å; I92-I95 PolarHBondContact O-N 2.86Å; L93-I95 VanDerWaalsContact C-N 3.33Å; L93-I95 PolarHBondContact O-N 3.07Å; I95-M97 VanDerWaalsContact C-N 3.32Å; I95-M97 PolarHBondContact O-N 2.81Å; I95-F98 WeakPolarHBondContact O-CB 3.24Å; I95-F98 PolarHBondContact O-N 2.97Å; I95-F98 VanDerWaalsContact O-N 3.15Å; I95-I99 HydrophobicContact CG2-CD1 4.31Å; I95-I99 WeakPolarHBondContact O-CG1 3.38Å; I95-I99 PolarHBondContact O-N 3.35Å; I95-I99 VanDerWaalsContact O-N 3.1Å |
| 96 | I | 94.8 | Very high | 90.1 | Very high | 103 Ų | 103 | 73.6 Ų | 73.6 | 53% | 0.528 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60.2 | -41.5 | 178.5 | -71.7 | 168.8 | 0 | 0 | 0 | 111.4 | I92 L93 P100 | I92-I96 HydrophobicContact CG2-CD1 3.81Å; I92-I96 HydrophobicContact CG2-CG1 4.45Å; I92-I96 VanDerWaalsContact O-CG1 3.31Å; I92-I96 WeakPolarHBondContact O-CG1 3.46Å; I92-I96 PolarHBondContact O-N 3.5Å; L93-I96 PolarHBondContact O-N 3.47Å; I96-P100 WeakPolarHBondContact O-CD 3.13Å |
| 97 | M | 92.5 | Very high | 90.1 | Very high | 44 Ų | 44 | 69.6 Ų | 69.6 | 22% | 0.217 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -73.7 | -29.2 | 176.8 | -68.5 | 178.2 | 64.7 | 0 | 0 | 112.8 | L63 L67 L93 G94 I95 P100 | L63-M97 HydrophobicContact CD2-CE 3.75Å; L63-M97 HydrophobicContact CG-CE 4.12Å; L67-M97 HydrophobicContact CD1-SD 4.13Å; L93-M97 HydrophobicContact CD1-SD 4.45Å; L93-M97 HydrophobicContact CG-SD 4.19Å; L93-M97 WeakPolarHBondContact O-CG 3.48Å; L93-M97 PolarHBondContact O-N 3.42Å; G94-M97 PolarHBondContact O-N 3.37Å; I95-M97 VanDerWaalsContact C-N 3.32Å; I95-M97 PolarHBondContact O-N 2.81Å; M97-P100 WeakPolarHBondContact O-CD 3.08Å; M97-P100 WeakPolarHBondContact O-CG 3.46Å |
| 98 | F | 91.8 | Very high | 89.9 | Confident | 57 Ų | 57 | 69.8 Ų | 69.8 | 25% | 0.25 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -69.4 | -40.7 | 179 | -179 | -90 | 0 | 0 | 0 | 112.4 | F61 S65 I68 G94 I95 G101 F102 | F61-F98 AromaticContact CD2-CD2 3.79Å; F61-F98 HydrophobicContact CD2-CD2 3.79Å; F61-F98 AromaticContact CD2-CE2 3.59Å; F61-F98 HydrophobicContact CD2-CE2 3.59Å; F61-F98 HydrophobicContact CD2-CZ 4.2Å; F61-F98 AromaticContact CE2-CD2 3.75Å; F61-F98 HydrophobicContact CE2-CD2 3.75Å; F61-F98 HydrophobicContact CE2-CE1 4.43Å; F61-F98 AromaticContact CE2-CE2 3.04Å; F61-F98 HydrophobicContact CE2-CE2 3.04Å; F61-F98 AromaticContact CE2-CZ 3.45Å; F61-F98 HydrophobicContact CE2-CZ 3.45Å; F61-F98 VanDerWaalsContact CE2-CZ 3.45Å; F61-F98 AromaticContact CZ-CE2 3.79Å; F61-F98 HydrophobicContact CZ-CE2 3.79Å; F61-F98 HydrophobicContact CZ-CZ 4.28Å; S65-F98 WeakPolarHBondContact OG-CE2 3.16Å; I68-F98 HydrophobicContact CD1-CB 3.82Å; I68-F98 HydrophobicContact CD1-CD2 4.03Å; I68-F98 HydrophobicContact CD1-CG 4.02Å; G94-F98 WeakPolarHBondContact O-CB 3.25Å; G94-F98 PolarHBondContact O-N 2.69Å; I95-F98 WeakPolarHBondContact O-CB 3.24Å; I95-F98 PolarHBondContact O-N 2.97Å; I95-F98 VanDerWaalsContact O-N 3.15Å; F98-G101 PolarHBondContact O-N 3.06Å; F98-F102 HydrophobicContact CD1-CB 4Å; F98-F102 HydrophobicContact CE1-CB 3.68Å; F98-F102 HydrophobicContact CE1-CD1 4.4Å; F98-F102 HydrophobicContact CE1-CD2 4.2Å; F98-F102 AromaticContact CE1-CG 3.84Å; F98-F102 HydrophobicContact CE1-CG 3.84Å; F98-F102 HydrophobicContact CZ-CB 4.05Å; F98-F102 HydrophobicContact CZ-CD2 4.01Å; F98-F102 HydrophobicContact CZ-CG 4.11Å; F98-F102 VanDerWaalsContact O-CB 3.29Å; F98-F102 WeakPolarHBondContact O-CB 3.41Å; F98-F102 PolarHBondContact O-N 2.87Å |
| 99 | I | 91.2 | Very high | 89.5 | Confident | 106 Ų | 106 | 69 Ų | 69 | 54% | 0.544 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -51.9 | -55.6 | -178.8 | -68.4 | 165.5 | 0 | 0 | 0 | 113.1 | I95 G101 Y103 | I95-I99 HydrophobicContact CG2-CD1 4.31Å; I95-I99 WeakPolarHBondContact O-CG1 3.38Å; I95-I99 PolarHBondContact O-N 3.35Å; I95-I99 VanDerWaalsContact O-N 3.1Å; I99-G101 PolarHBondContact O-N 3.12Å; I99-Y103 WeakPolarHBondContact O-CB 3.38Å; I99-Y103 PolarHBondContact O-N 3.01Å |
| 100 | P | 89.3 | Confident | 88.8 | Confident | 53 Ų | 53 | 70.9 Ų | 70.9 | 34% | 0.344 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -67.7 | -36.5 | 179.9 | 26.2 | -34 | 0 | 0 | 0 | 112.2 | L60 I96 M97 H104 | L60-P100 HydrophobicContact CD2-CG 4.45Å; I96-P100 WeakPolarHBondContact O-CD 3.13Å; M97-P100 WeakPolarHBondContact O-CD 3.08Å; M97-P100 WeakPolarHBondContact O-CG 3.46Å; P100-H104 PolarHBondContact O-CD2 3.23Å; P100-H104 VanDerWaalsContact O-CD2 3.32Å; P100-H104 PolarHBondContact O-N 3.33Å |
| 101 | G | 90.2 | Very high | 88 | Confident | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.4 | -52 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | A57 F98 I99 Y103 H104 V105 | A57-G101 WeakPolarHBondContact O-CA 3.43Å; F98-G101 PolarHBondContact O-N 3.06Å; I99-G101 PolarHBondContact O-N 3.12Å; G101-Y103 PolarHBondContact O-N 3.19Å; G101-H104 PolarHBondContact O-N 3.15Å; G101-V105 WeakPolarHBondContact O-CB 3.32Å; G101-V105 WeakPolarHBondContact O-CG2 3.4Å; G101-V105 PolarHBondContact O-N 2.88Å |
| 102 | F | 89.4 | Confident | 86.8 | Confident | 96 Ų | 96 | 74.9 Ų | 74.9 | 42% | 0.421 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.9 | -42.2 | 180 | 179.7 | -106.8 | 0 | 0 | 0 | 112.2 | F61 F98 H104 V105 R106 | F61-F102 HydrophobicContact CD2-CB 3.97Å; F61-F102 HydrophobicContact CD2-CD2 4.46Å; F61-F102 HydrophobicContact CE2-CB 4.03Å; F61-F102 AromaticContact CE2-CD2 3.75Å; F61-F102 HydrophobicContact CE2-CD2 3.75Å; F61-F102 HydrophobicContact CE2-CG 4.38Å; F98-F102 HydrophobicContact CD1-CB 4Å; F98-F102 HydrophobicContact CE1-CB 3.68Å; F98-F102 HydrophobicContact CE1-CD1 4.4Å; F98-F102 HydrophobicContact CE1-CD2 4.2Å; F98-F102 AromaticContact CE1-CG 3.84Å; F98-F102 HydrophobicContact CE1-CG 3.84Å; F98-F102 HydrophobicContact CZ-CB 4.05Å; F98-F102 HydrophobicContact CZ-CD2 4.01Å; F98-F102 HydrophobicContact CZ-CG 4.11Å; F98-F102 VanDerWaalsContact O-CB 3.29Å; F98-F102 WeakPolarHBondContact O-CB 3.41Å; F98-F102 PolarHBondContact O-N 2.87Å; F102-H104 PolarHBondContact O-N 2.94Å; F102-V105 PolarHBondContact O-N 3.46Å; F102-R106 VanDerWaalsContact O-CB 3.28Å; F102-R106 WeakPolarHBondContact O-CB 3.06Å; F102-R106 PolarHBondContact O-N 3.34Å |
| 103 | Y | 85.8 | Confident | 85.8 | Confident | 122 Ų | 122 | 77 Ų | 77 | 48% | 0.478 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -57.2 | -50 | 178.5 | 176.5 | -98 | 0 | 0 | 0 | 111.8 | I99 G101 R106 I107 | I99-Y103 WeakPolarHBondContact O-CB 3.38Å; I99-Y103 PolarHBondContact O-N 3.01Å; G101-Y103 PolarHBondContact O-N 3.19Å; Y103-R106 PolarHBondContact O-N 3.45Å; Y103-I107 HydrophobicContact CD1-CD1 3.99Å; Y103-I107 HydrophobicContact CE1-CD1 3.36Å; Y103-I107 HydrophobicContact CE2-CD1 4Å; Y103-I107 PolarHBondContact O-N 3.08Å; Y103-I107 VanDerWaalsContact O-N 3.16Å |
| 104 | H | 85.3 | Confident | 84.1 | Confident | 89 Ų | 89 | 75.3 Ų | 75.3 | 41% | 0.412 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -71.6 | -40.2 | -179.7 | -77.6 | -48.5 | 0 | 0 | 0 | 112.8 | A57 P100 G101 F102 R106 I107 A108 | A57-H104 HydrophobicContact CB-CB 3.38Å; P100-H104 PolarHBondContact O-CD2 3.23Å; P100-H104 VanDerWaalsContact O-CD2 3.32Å; P100-H104 PolarHBondContact O-N 3.33Å; G101-H104 PolarHBondContact O-N 3.15Å; F102-H104 PolarHBondContact O-N 2.94Å; H104-R106 VanDerWaalsContact C-N 3.25Å; H104-R106 PolarHBondContact O-N 3.34Å; H104-I107 PolarHBondContact O-N 2.77Å; H104-A108 VanDerWaalsContact O-CB 3.28Å; H104-A108 WeakPolarHBondContact O-CB 3.37Å; H104-A108 PolarHBondContact O-N 3.25Å |
| 105 | V | 86.8 | Confident | 81.8 | Confident | 40 Ų | 40 | 84 Ų | 84 | 24% | 0.242 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -60.6 | -38.2 | 175.4 | 170.4 | 0 | 0 | 0 | 0 | 110.8 | F61 G101 F102 A108 Y109 | F61-V105 HydrophobicContact CB-CG2 4.29Å; G101-V105 WeakPolarHBondContact O-CB 3.32Å; G101-V105 WeakPolarHBondContact O-CG2 3.4Å; G101-V105 PolarHBondContact O-N 2.88Å; F102-V105 PolarHBondContact O-N 3.46Å; V105-A108 PolarHBondContact O-N 3.46Å; V105-Y109 VanDerWaalsContact O-CB 3.31Å; V105-Y109 WeakPolarHBondContact O-CB 3.44Å; V105-Y109 PolarHBondContact O-N 3.37Å |
| 106 | R | 84 | Confident | 79.6 | Confident | 112 Ų | 112 | 88.2 Ų | 88.2 | 42% | 0.423 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64.4 | -47.6 | 176.1 | -176.6 | -174.5 | 68.7 | 170.7 | 1.2 | 111.9 | F102 Y103 H104 A108 Y109 Y110 | F102-R106 VanDerWaalsContact O-CB 3.28Å; F102-R106 WeakPolarHBondContact O-CB 3.06Å; F102-R106 PolarHBondContact O-N 3.34Å; Y103-R106 PolarHBondContact O-N 3.45Å; H104-R106 VanDerWaalsContact C-N 3.25Å; H104-R106 PolarHBondContact O-N 3.34Å; R106-A108 VanDerWaalsContact C-N 3.32Å; R106-Y109 WeakPolarHBondContact O-CB 3.28Å; R106-Y109 PolarHBondContact O-N 2.93Å; R106-Y110 HydrophobicContact CG-CD2 3.84Å; R106-Y110 HydrophobicContact CG-CE2 3.54Å; R106-Y110 WeakPolarHBondContact O-CD2 3.38Å; R106-Y110 PolarHBondContact O-N 3.38Å |
| 107 | I | 82.6 | Confident | 77.5 | Confident | 76 Ų | 76 | 86.3 Ų | 86.3 | 39% | 0.39 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -62.6 | -43.6 | 177.2 | -68.4 | 172.3 | 0 | 0 | 0 | 110.3 | Y103 H104 Y109 Y110 A111 | Y103-I107 HydrophobicContact CD1-CD1 3.99Å; Y103-I107 HydrophobicContact CE1-CD1 3.36Å; Y103-I107 HydrophobicContact CE2-CD1 4Å; Y103-I107 PolarHBondContact O-N 3.08Å; Y103-I107 VanDerWaalsContact O-N 3.16Å; H104-I107 PolarHBondContact O-N 2.77Å; I107-Y109 VanDerWaalsContact C-N 3.32Å; I107-Y109 PolarHBondContact O-N 3.23Å; I107-Y110 PolarHBondContact O-N 2.97Å; I107-A111 WeakPolarHBondContact O-CB 3.3Å; I107-A111 PolarHBondContact O-N 2.78Å |
| 108 | A | 82.3 | Confident | 75.4 | Confident | 7 Ų | 7 | 93.9 Ų | 93.9 | 6% | 0.058 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -59.4 | -43.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | I54 H104 V105 R106 Y110 A111 F112 | I54-A108 HydrophobicContact CD1-CB 3.73Å; I54-A108 HydrophobicContact CG1-CB 4.09Å; I54-A108 HydrophobicContact CG2-CB 3.94Å; H104-A108 VanDerWaalsContact O-CB 3.28Å; H104-A108 WeakPolarHBondContact O-CB 3.37Å; H104-A108 PolarHBondContact O-N 3.25Å; V105-A108 PolarHBondContact O-N 3.46Å; R106-A108 VanDerWaalsContact C-N 3.32Å; A108-Y110 PolarHBondContact O-N 2.71Å; A108-A111 WeakPolarHBondContact O-CB 3.43Å; A108-A111 PolarHBondContact O-N 3.32Å; A108-F112 HydrophobicContact CB-CD2 4.34Å; A108-F112 HydrophobicContact CB-CE2 4.12Å; A108-F112 WeakPolarHBondContact O-CB 3.47Å; A108-F112 WeakPolarHBondContact O-CD2 3.47Å; A108-F112 WeakPolarHBondContact O-CG 3.42Å; A108-F112 PolarHBondContact O-N 3.08Å |
| 109 | Y | 81.2 | Confident | 73.3 | Confident | 130 Ų | 130 | 93.9 Ų | 93.9 | 51% | 0.51 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -60.4 | -44.6 | 176.2 | 178.1 | -96.1 | 0 | 0 | 0 | 112 | V105 R106 I107 F112 K113 | V105-Y109 VanDerWaalsContact O-CB 3.31Å; V105-Y109 WeakPolarHBondContact O-CB 3.44Å; V105-Y109 PolarHBondContact O-N 3.37Å; R106-Y109 WeakPolarHBondContact O-CB 3.28Å; R106-Y109 PolarHBondContact O-N 2.93Å; I107-Y109 VanDerWaalsContact C-N 3.32Å; I107-Y109 PolarHBondContact O-N 3.23Å; Y109-F112 PolarHBondContact O-N 2.88Å; Y109-K113 HydrophobicContact CE1-CD 3.92Å; Y109-K113 VanDerWaalsContact O-CB 3.29Å; Y109-K113 WeakPolarHBondContact O-CB 3.44Å; Y109-K113 PolarHBondContact O-N 3.46Å |
| 110 | Y | 77.7 | Confident | 71.3 | Confident | 122 Ų | 122 | 95.6 Ų | 95.6 | 48% | 0.478 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -66.2 | -37 | 175.1 | -76 | -66.6 | 0 | 0 | 0 | 112.6 | R106 I107 A108 K113 G114 Y115 | R106-Y110 HydrophobicContact CG-CD2 3.84Å; R106-Y110 HydrophobicContact CG-CE2 3.54Å; R106-Y110 WeakPolarHBondContact O-CD2 3.38Å; R106-Y110 PolarHBondContact O-N 3.38Å; I107-Y110 PolarHBondContact O-N 2.97Å; A108-Y110 PolarHBondContact O-N 2.71Å; Y110-K113 PolarHBondContact O-N 3.09Å; Y110-G114 PolarHBondContact O-N 2.97Å; Y110-Y115 HydrophobicContact CD1-CD2 4.36Å; Y110-Y115 PolarHBondContact O-N 2.78Å |
| 111 | A | 72.4 | Confident | 69.6 | Low | 40 Ų | 40 | 100 Ų | 100 | 33% | 0.331 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65 | -44 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | I49 I107 A108 K113 G114 | I49-A111 HydrophobicContact CD1-CB 4.17Å; I107-A111 WeakPolarHBondContact O-CB 3.3Å; I107-A111 PolarHBondContact O-N 2.78Å; A108-A111 WeakPolarHBondContact O-CB 3.43Å; A108-A111 PolarHBondContact O-N 3.32Å; A111-K113 VanDerWaalsContact C-N 3.34Å; A111-K113 PolarHBondContact O-N 3.39Å; A111-G114 PolarHBondContact O-N 2.98Å |
| 112 | F | 69.1 | Low | 67.9 | Low | 120 Ų | 120 | 107.4 Ų | 107.4 | 53% | 0.526 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.7 | -35.4 | 175.3 | -75.5 | -58.4 | 0 | 0 | 0 | 112.7 | W51 A108 Y109 G114 | W51-F112 AromaticContact CH2-CE1 3.45Å; W51-F112 HydrophobicContact CH2-CE1 3.45Å; W51-F112 VanDerWaalsContact CH2-CE1 3.45Å; W51-F112 AromaticContact CH2-CZ 3.53Å; W51-F112 HydrophobicContact CH2-CZ 3.53Å; W51-F112 AromaticContact CZ2-CE1 3.92Å; W51-F112 HydrophobicContact CZ2-CE1 3.92Å; W51-F112 HydrophobicContact CZ2-CZ 4.21Å; W51-F112 HydrophobicContact CZ3-CE1 4.13Å; W51-F112 AromaticContact CZ3-CZ 3.72Å; W51-F112 HydrophobicContact CZ3-CZ 3.72Å; A108-F112 HydrophobicContact CB-CD2 4.34Å; A108-F112 HydrophobicContact CB-CE2 4.12Å; A108-F112 WeakPolarHBondContact O-CB 3.47Å; A108-F112 WeakPolarHBondContact O-CD2 3.47Å; A108-F112 WeakPolarHBondContact O-CG 3.42Å; A108-F112 PolarHBondContact O-N 3.08Å; Y109-F112 PolarHBondContact O-N 2.88Å; F112-G114 PolarHBondContact O-N 3.4Å |
| 113 | K | 72.4 | Confident | 66.3 | Low | 130 Ų | 130 | 108 Ų | 108 | 57% | 0.565 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -3.4 | 178.7 | -163.2 | 165 | -179.9 | 177.3 | 0 | 113.2 | Y109 Y110 A111 | Y109-K113 HydrophobicContact CE1-CD 3.92Å; Y109-K113 VanDerWaalsContact O-CB 3.29Å; Y109-K113 WeakPolarHBondContact O-CB 3.44Å; Y109-K113 PolarHBondContact O-N 3.46Å; Y110-K113 PolarHBondContact O-N 3.09Å; A111-K113 VanDerWaalsContact C-N 3.34Å; A111-K113 PolarHBondContact O-N 3.39Å |
| 114 | G | 57.7 | Low | 64.8 | Low | 54 Ų | 54 | 107 Ų | 107 | 56% | 0.557 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.6 | 23.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115 | Y110 A111 F112 Q116 | Y110-G114 PolarHBondContact O-N 2.97Å; A111-G114 PolarHBondContact O-N 2.98Å; F112-G114 PolarHBondContact O-N 3.4Å; G114-Q116 PolarHBondContact O-N 2.94Å |
| 115 | Y | 47.7 | Very low | 63.5 | Low | 181 Ų | 181 | 110.1 Ų | 110.1 | 71% | 0.71 | 56% | 0.557 | S | S | * | * | trans | -78.6 | 76.7 | 165.9 | -84.7 | -82.1 | 0 | 0 | 0 | 110.3 | Y110 | Y110-Y115 HydrophobicContact CD1-CD2 4.36Å; Y110-Y115 PolarHBondContact O-N 2.78Å | ||
| 116 | Q | 47.6 | Very low | 61.8 | Low | 171 Ų | 171 | 117.5 Ų | 117.5 | 80% | 0.799 | 59% | 0.586 | S | S | * | * | trans | -75.8 | 100.7 | 163.2 | 169.9 | -179 | 25.1 | 0 | 0 | 108 | G114 | G114-Q116 PolarHBondContact O-N 2.94Š| ||
| 117 | G | 51.5 | Low | 60.1 | Low | 63 Ų | 63 | 123.2 Ų | 123.2 | 65% | 0.649 | 63% | 0.625 | S | S | * | * | trans | -171.4 | 6.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 118 | Y | 47 | Very low | 59 | Low | 203 Ų | 203 | 125.6 Ų | 125.6 | 80% | 0.796 | 64% | 0.637 | S | S | * | * | trans | -107.4 | 105.3 | 169.2 | -100.4 | -91.7 | 0 | 0 | 0 | 108.7 | ||||
| 119 | S | 47.2 | Very low | 57.8 | Low | 56 Ų | 56 | 131.8 Ų | 131.8 | 39% | 0.392 | 67% | 0.667 | S | S | . | * | trans | -81.2 | 140 | 163.9 | -161.6 | 0 | 0 | 0 | 0 | 108.6 | D121 | S119-D121 VanDerWaalsContact C-N 3.35Å; S119-D121 PolarHBondContact O-N 3.41Å; S119-D121 PolarHBondContact OG-OD2 3.37Å | ||
| 120 | F | 50.4 | Low | 56.5 | Low | 143 Ų | 143 | 131.9 Ų | 131.9 | 63% | 0.627 | 68% | 0.676 | S | S | * | * | trans | -94.8 | 25.1 | -173.9 | -93.8 | -85.8 | 0 | 0 | 0 | 113.3 | D122 I123 | F120-D122 PolarHBondContact O-N 3.05Å; F120-I123 HydrophobicContact CD1-CD1 3.65Å; F120-I123 HydrophobicContact CD1-CG1 4.43Å; F120-I123 HydrophobicContact CE1-CD1 3.87Å | ||
| 121 | D | 53.7 | Low | 55.2 | Low | 144 Ų | 144 | 132.5 Ų | 132.5 | 77% | 0.77 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | -4.1 | 179.6 | -62.2 | -56.5 | 0 | 0 | 0 | 114.3 | S119 | S119-D121 VanDerWaalsContact C-N 3.35Å; S119-D121 PolarHBondContact O-N 3.41Å; S119-D121 PolarHBondContact OG-OD2 3.37Å |
| 122 | D | 54.4 | Low | 54.1 | Low | 157 Ų | 157 | 138.3 Ų | 138.3 | 84% | 0.84 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | 3.4 | -177.3 | -81.6 | -18.5 | 0 | 0 | 0 | 114.9 | F120 P124 | F120-D122 PolarHBondContact O-N 3.05Å; D122-P124 WeakPolarHBondContact O-CD 3.48Å |
| 123 | I | 55 | Low | 53.1 | Low | 109 Ų | 109 | 139.5 Ų | 139.5 | 56% | 0.559 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -104.7 | 108.2 | -178.8 | -53.8 | -177.9 | 0 | 0 | 0 | 110 | F120 | F120-I123 HydrophobicContact CD1-CD1 3.65Å; F120-I123 HydrophobicContact CD1-CG1 4.43Å; F120-I123 HydrophobicContact CE1-CD1 3.87Å |
| 124 | P | 55.6 | Low | 51.8 | Low | 99 Ų | 99 | 140.1 Ų | 140.1 | 64% | 0.643 | 73% | 0.733 | S | S | * | * | trans | -73.5 | 134.7 | -176.2 | -5.4 | 21.7 | 0 | 0 | 0 | 110.9 | D122 F126 | D122-P124 WeakPolarHBondContact O-CD 3.48Å; P124-F126 PolarHBondContact O-N 3.39Å | ||
| 125 | D | 58.3 | Low | 51.3 | Low | 156 Ų | 156 | 146.8 Ų | 146.8 | 83% | 0.834 | 75% | 0.747 | S | S | * | * | trans | -66.8 | 119 | 174.8 | -67.6 | -35.3 | 0 | 0 | 0 | 110.4 | N127 | D125-N127 PolarHBondContact O-N 3.31Š| ||
| 126 | F | 50.1 | Low | 51.6 | Low | 194 Ų | 194 | 143.9 Ų | 143.9 | 85% | 0.851 | 75% | 0.75 | S | S | * | * | trans | -77.7 | 102.1 | 171.8 | -69.5 | -85.3 | 0 | 0 | 0 | 109.3 | P124 | P124-F126 PolarHBondContact O-N 3.39Š| ||
| 127 | N | 48.6 | Very low | 52 | Low | 232 Ų | 232 | 141.5 Ų | 141.5 | 100% | 1.241 | 75% | 0.746 | S | S | * | * | trans | -121.8 | 0 | 150.6 | -74.5 | -51.1 | 0 | 0 | 0 | 109.2 | D125 | D125-N127 PolarHBondContact O-N 3.31Š|
Retrieved 127 of 127 residues in 31.7 ms
(Link to these results)