| 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 | 43.8 | Very low | 49.2 | Very low | 245 Ų | 245 | 136.5 Ų | 136.5 | 100% | 1.207 | 66% | 0.659 | S | S | * | * | 0 | 36.1 | 0 | -153.8 | 165.8 | 157.9 | 0 | 0 | 112.3 | |||||
| 2 | S | 49.2 | Very low | 49.7 | Very low | 74 Ų | 74 | 133.1 Ų | 133.1 | 52% | 0.517 | 65% | 0.646 | S | S | . | * | trans | -129.2 | -20.9 | -173.5 | -167.4 | 0 | 0 | 0 | 0 | 114 | Y6 | S2-Y6 VanDerWaalsContact O-CD2 3.25Å; S2-Y6 WeakPolarHBondContact O-CD2 3.27Å | ||
| 3 | L | 41 | Very low | 50.4 | Low | 148 Ų | 148 | 130.2 Ų | 130.2 | 78% | 0.775 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -69.4 | -36.3 | -178.5 | -139.9 | 86.5 | 0 | 0 | 0 | 112.1 | R5 Y6 E7 | L3-R5 VanDerWaalsContact C-N 3.31Å; L3-R5 PolarHBondContact O-N 3.34Å; L3-Y6 PolarHBondContact O-N 3.39Å; L3-E7 PolarHBondContact O-N 3.44Å |
| 4 | H | 43.3 | Very low | 50.9 | Low | 158 Ų | 158 | 126.7 Ų | 126.7 | 73% | 0.731 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -71.6 | -20.9 | -175.6 | -129.9 | -24.8 | 0 | 0 | 0 | 114.4 | L8 | H4-L8 PolarHBondContact O-N 2.98Å |
| 5 | R | 49 | Very low | 51.2 | Low | 212 Ų | 212 | 124.8 Ų | 124.8 | 80% | 0.8 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -80.2 | -31.1 | 178.2 | -90.4 | -174.9 | 173.9 | -171.1 | -1.9 | 113 | L3 G9 | L3-R5 VanDerWaalsContact C-N 3.31Å; L3-R5 PolarHBondContact O-N 3.34Å; R5-G9 PolarHBondContact O-N 3.04Å |
| 6 | Y | 50.4 | Low | 51.1 | Low | 170 Ų | 170 | 122.9 Ų | 122.9 | 67% | 0.667 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -76.8 | -36.6 | 176.5 | -72 | -77.5 | 0 | 0 | 0 | 111.7 | S2 L3 G9 F10 | S2-Y6 VanDerWaalsContact O-CD2 3.25Å; S2-Y6 WeakPolarHBondContact O-CD2 3.27Å; L3-Y6 PolarHBondContact O-N 3.39Å; Y6-G9 PolarHBondContact O-N 3.21Å; Y6-F10 PolarHBondContact O-N 3.25Å |
| 7 | E | 48.6 | Very low | 51.2 | Low | 116 Ų | 116 | 122.2 Ų | 122.2 | 54% | 0.542 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -60.1 | -43.2 | 171.1 | -75.3 | -70.7 | 151.3 | 0 | 0 | 112.1 | L3 G9 F10 L11 | L3-E7 PolarHBondContact O-N 3.44Å; E7-G9 VanDerWaalsContact C-N 3.34Å; E7-G9 PolarHBondContact O-N 3.27Å; E7-F10 PolarHBondContact O-N 2.89Å; E7-L11 WeakPolarHBondContact O-CB 3.46Å; E7-L11 PolarHBondContact O-N 3.17Å |
| 8 | L | 52.5 | Low | 51.1 | Low | 109 Ų | 109 | 124.6 Ų | 124.6 | 57% | 0.571 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -66.7 | -35.4 | 177.4 | -140.4 | 88.2 | 0 | 0 | 0 | 112.5 | H4 L12 | H4-L8 PolarHBondContact O-N 2.98Å; L8-L12 WeakPolarHBondContact O-CB 3.36Å; L8-L12 WeakPolarHBondContact O-CD1 3.26Å; L8-L12 VanDerWaalsContact O-CG 3.32Å; L8-L12 WeakPolarHBondContact O-CG 3.3Å; L8-L12 PolarHBondContact O-N 3.46Å |
| 9 | G | 53.3 | Low | 50.7 | Low | 30 Ų | 30 | 121.6 Ų | 121.6 | 31% | 0.309 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -68.7 | -40.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | R5 Y6 E7 L12 I13 | R5-G9 PolarHBondContact O-N 3.04Å; Y6-G9 PolarHBondContact O-N 3.21Å; E7-G9 VanDerWaalsContact C-N 3.34Å; E7-G9 PolarHBondContact O-N 3.27Å; G9-L12 PolarHBondContact O-N 3.01Å; G9-I13 VanDerWaalsContact O-CG1 3.28Å; G9-I13 WeakPolarHBondContact O-CG1 3.42Å; G9-I13 PolarHBondContact O-N 3.11Å; G9-I13 VanDerWaalsContact O-N 3.1Å |
| 10 | F | 55.1 | Low | 50.4 | Low | 143 Ų | 143 | 122.1 Ų | 122.1 | 63% | 0.627 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -67.9 | -39.9 | 175.6 | -117.3 | -90.3 | 0 | 0 | 0 | 112.1 | Y6 E7 I13 I14 | Y6-F10 PolarHBondContact O-N 3.25Å; E7-F10 PolarHBondContact O-N 2.89Å; F10-I13 PolarHBondContact O-N 2.9Å; F10-I14 HydrophobicContact CD1-CD1 4.34Å; F10-I14 WeakPolarHBondContact O-CG1 3.41Å; F10-I14 PolarHBondContact O-N 2.89Å |
| 11 | L | 55.5 | Low | 49.8 | Very low | 97 Ų | 97 | 119.2 Ų | 119.2 | 51% | 0.508 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -63.7 | -39 | 174.2 | -110.8 | 139.3 | 0 | 0 | 0 | 112.5 | E7 I14 L15 | E7-L11 WeakPolarHBondContact O-CB 3.46Å; E7-L11 PolarHBondContact O-N 3.17Å; L11-I14 PolarHBondContact O-N 2.76Å; L11-L15 HydrophobicContact CD2-CD1 4.28Å; L11-L15 VanDerWaalsContact O-CB 3.3Å; L11-L15 WeakPolarHBondContact O-CB 3.43Å; L11-L15 WeakPolarHBondContact O-CD1 3.16Å; L11-L15 VanDerWaalsContact O-CG 3.29Å; L11-L15 WeakPolarHBondContact O-CG 3.36Å; L11-L15 PolarHBondContact O-N 3.41Å |
| 12 | L | 54.9 | Low | 49.3 | Very low | 95 Ų | 95 | 114.2 Ų | 114.2 | 50% | 0.497 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -68.2 | -33.2 | 175.4 | -78 | 165.3 | 0 | 0 | 0 | 112.8 | L8 G9 N16 | L8-L12 WeakPolarHBondContact O-CB 3.36Å; L8-L12 WeakPolarHBondContact O-CD1 3.26Å; L8-L12 VanDerWaalsContact O-CG 3.32Å; L8-L12 WeakPolarHBondContact O-CG 3.3Å; L8-L12 PolarHBondContact O-N 3.46Å; G9-L12 PolarHBondContact O-N 3.01Å; L12-N16 WeakPolarHBondContact O-CB 3.29Å; L12-N16 PolarHBondContact O-N 3.26Å; L12-N16 PolarHBondContact O-ND2 3.29Å |
| 13 | I | 58.5 | Low | 48.7 | Very low | 96 Ų | 96 | 116 Ų | 116 | 49% | 0.492 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -72.1 | -42.3 | 175.4 | -67.5 | 165.8 | 0 | 0 | 0 | 110.5 | G9 F10 N16 I17 | G9-I13 VanDerWaalsContact O-CG1 3.28Å; G9-I13 WeakPolarHBondContact O-CG1 3.42Å; G9-I13 PolarHBondContact O-N 3.11Å; G9-I13 VanDerWaalsContact O-N 3.1Å; F10-I13 PolarHBondContact O-N 2.9Å; I13-N16 PolarHBondContact O-N 3.05Å; I13-I17 HydrophobicContact CG2-CD1 3.93Å; I13-I17 VanDerWaalsContact O-CG1 3.3Å; I13-I17 WeakPolarHBondContact O-CG1 3.43Å; I13-I17 PolarHBondContact O-N 3.48Å |
| 14 | I | 57.7 | Low | 48.3 | Very low | 81 Ų | 81 | 117 Ų | 117 | 42% | 0.415 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -64.1 | -43.7 | 175.3 | -67.8 | 170.9 | 0 | 0 | 0 | 110.5 | F10 L11 N16 I17 Y18 | F10-I14 HydrophobicContact CD1-CD1 4.34Å; F10-I14 WeakPolarHBondContact O-CG1 3.41Å; F10-I14 PolarHBondContact O-N 2.89Å; L11-I14 PolarHBondContact O-N 2.76Å; I14-N16 VanDerWaalsContact C-N 3.31Å; I14-N16 PolarHBondContact O-N 2.84Å; I14-I17 PolarHBondContact O-N 3.22Å; I14-Y18 HydrophobicContact CG2-CD2 3.59Å; I14-Y18 HydrophobicContact CG2-CE2 3.56Å; I14-Y18 VanDerWaalsContact O-CD2 3.22Å; I14-Y18 WeakPolarHBondContact O-CD2 3.25Å; I14-Y18 PolarHBondContact O-N 3.04Å |
| 15 | L | 55.3 | Low | 47.9 | Very low | 98 Ų | 98 | 113.6 Ų | 113.6 | 51% | 0.513 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -64.2 | -31.5 | 175.3 | -77.9 | 162.7 | 0 | 0 | 0 | 113.4 | L11 S19 | L11-L15 HydrophobicContact CD2-CD1 4.28Å; L11-L15 VanDerWaalsContact O-CB 3.3Å; L11-L15 WeakPolarHBondContact O-CB 3.43Å; L11-L15 WeakPolarHBondContact O-CD1 3.16Å; L11-L15 VanDerWaalsContact O-CG 3.29Å; L11-L15 WeakPolarHBondContact O-CG 3.36Å; L11-L15 PolarHBondContact O-N 3.41Å; L15-S19 VanDerWaalsContact O-CB 3.32Å; L15-S19 WeakPolarHBondContact O-CB 3.35Å; L15-S19 PolarHBondContact O-N 3.47Å; L15-S19 PolarHBondContact O-OG 3.02Å |
| 16 | N | 49.9 | Very low | 47 | Very low | 94 Ų | 94 | 108.8 Ų | 108.8 | 50% | 0.503 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -74.7 | -35.8 | 173.4 | -88.7 | -74.8 | 0 | 0 | 0 | 112.5 | L12 I13 I14 S19 L20 | L12-N16 WeakPolarHBondContact O-CB 3.29Å; L12-N16 PolarHBondContact O-N 3.26Å; L12-N16 PolarHBondContact O-ND2 3.29Å; I13-N16 PolarHBondContact O-N 3.05Å; I14-N16 VanDerWaalsContact C-N 3.31Å; I14-N16 PolarHBondContact O-N 2.84Å; N16-S19 PolarHBondContact O-N 3.46Å; N16-L20 WeakPolarHBondContact O-CD1 3.47Å; N16-L20 PolarHBondContact O-N 2.92Å |
| 17 | I | 52.6 | Low | 46 | Very low | 112 Ų | 112 | 107.6 Ų | 107.6 | 57% | 0.574 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -67.9 | -40.1 | 173.5 | -66.6 | 165.6 | 0 | 0 | 0 | 110.5 | I13 I14 L20 G21 | I13-I17 HydrophobicContact CG2-CD1 3.93Å; I13-I17 VanDerWaalsContact O-CG1 3.3Å; I13-I17 WeakPolarHBondContact O-CG1 3.43Å; I13-I17 PolarHBondContact O-N 3.48Å; I14-I17 PolarHBondContact O-N 3.22Å; I17-L20 PolarHBondContact O-N 3.43Å; I17-G21 PolarHBondContact O-N 2.79Å |
| 18 | Y | 48.7 | Very low | 45 | Very low | 164 Ų | 164 | 108 Ų | 108 | 64% | 0.643 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -68.9 | -33.6 | 171.9 | -81.8 | -73.9 | 0 | 0 | 0 | 112.6 | I14 G21 L22 | I14-Y18 HydrophobicContact CG2-CD2 3.59Å; I14-Y18 HydrophobicContact CG2-CE2 3.56Å; I14-Y18 VanDerWaalsContact O-CD2 3.22Å; I14-Y18 WeakPolarHBondContact O-CD2 3.25Å; I14-Y18 PolarHBondContact O-N 3.04Å; Y18-G21 PolarHBondContact O-N 2.96Å; Y18-L22 WeakPolarHBondContact O-CB 3.12Å; Y18-L22 PolarHBondContact O-N 3.3Å; Y18-L22 VanDerWaalsContact O-N 3.12Å |
| 19 | S | 44.7 | Very low | 43.9 | Very low | 68 Ų | 68 | 108.6 Ų | 108.6 | 48% | 0.476 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -69.6 | -36.1 | 172.8 | -72.9 | 0 | 0 | 0 | 0 | 112.7 | L15 N16 L22 I23 | L15-S19 VanDerWaalsContact O-CB 3.32Å; L15-S19 WeakPolarHBondContact O-CB 3.35Å; L15-S19 PolarHBondContact O-N 3.47Å; L15-S19 PolarHBondContact O-OG 3.02Å; N16-S19 PolarHBondContact O-N 3.46Å; S19-L22 PolarHBondContact O-N 3Å; S19-I23 WeakPolarHBondContact O-CD1 3.23Å; S19-I23 WeakPolarHBondContact O-CG1 3.46Å |
| 20 | L | 44.2 | Very low | 42.8 | Very low | 131 Ų | 131 | 110.9 Ų | 110.9 | 69% | 0.686 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -72.1 | -31.3 | 172.3 | -96.8 | 111.4 | 0 | 0 | 0 | 112.5 | N16 I17 L22 | N16-L20 WeakPolarHBondContact O-CD1 3.47Å; N16-L20 PolarHBondContact O-N 2.92Å; I17-L20 PolarHBondContact O-N 3.43Å; L20-L22 VanDerWaalsContact C-N 3.27Å; L20-L22 PolarHBondContact O-N 3.02Å |
| 21 | G | 37.9 | Very low | 41.5 | Very low | 63 Ų | 63 | 109.5 Ų | 109.5 | 65% | 0.649 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | -5.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | I17 Y18 | I17-G21 PolarHBondContact O-N 2.79Å; Y18-G21 PolarHBondContact O-N 2.96Å |
| 22 | L | 33.7 | Very low | 40.1 | Very low | 140 Ų | 140 | 112.2 Ų | 112.2 | 73% | 0.733 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.2 | 4.2 | 177.8 | -124.5 | 88.3 | 0 | 0 | 0 | 114.1 | Y18 S19 L20 | Y18-L22 WeakPolarHBondContact O-CB 3.12Å; Y18-L22 PolarHBondContact O-N 3.3Å; Y18-L22 VanDerWaalsContact O-N 3.12Å; S19-L22 PolarHBondContact O-N 3Å; L20-L22 VanDerWaalsContact C-N 3.27Å; L20-L22 PolarHBondContact O-N 3.02Å |
| 23 | I | 35.5 | Very low | 39 | Very low | 111 Ų | 111 | 113.2 Ų | 113.2 | 57% | 0.569 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -86 | -11.9 | 178.7 | -68.9 | 165 | 0 | 0 | 0 | 112.5 | S19 A25 | S19-I23 WeakPolarHBondContact O-CD1 3.23Å; S19-I23 WeakPolarHBondContact O-CG1 3.46Å; I23-A25 PolarHBondContact O-N 3.46Å; I23-A25 VanDerWaalsContact O-N 3.09Å |
| 24 | D | 34.1 | Very low | 37.7 | Very low | 168 Ų | 168 | 112.4 Ų | 112.4 | 90% | 0.898 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | 40.1 | 173.5 | -80.4 | -23.7 | 0 | 0 | 0 | 114 | ||
| 25 | A | 34.7 | Very low | 36.6 | Very low | 88 Ų | 88 | 113.1 Ų | 113.1 | 73% | 0.727 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -150.4 | 43.6 | 164.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | I23 N27 | I23-A25 PolarHBondContact O-N 3.46Å; I23-A25 VanDerWaalsContact O-N 3.09Å; A25-N27 PolarHBondContact O-N 3.5Å |
| 26 | V | 29.2 | Very low | 35.4 | Very low | 111 Ų | 111 | 115.8 Ų | 115.8 | 67% | 0.673 | 70% | 0.702 | S | S | * | * | trans | -79.7 | 97 | 161.3 | 179.8 | 0 | 0 | 0 | 0 | 108 | V28 | V26-V28 VanDerWaalsContact C-N 3.35Å; V26-V28 HydrophobicContact CG1-CG2 4.19Å; V26-V28 PolarHBondContact O-N 3.47Å | ||
| 27 | N | 29.5 | Very low | 34.5 | Very low | 144 Ų | 144 | 117.2 Ų | 117.2 | 77% | 0.77 | 72% | 0.717 | S | S | * | * | trans | -57.8 | 100.3 | 158.2 | -120.3 | 12.7 | 0 | 0 | 0 | 107.3 | A25 T29 | A25-N27 PolarHBondContact O-N 3.5Å; N27-T29 PolarHBondContact O-N 2.95Å | ||
| 28 | V | 27.8 | Very low | 33.6 | Very low | 126 Ų | 126 | 120.1 Ų | 120.1 | 76% | 0.764 | 73% | 0.733 | S | S | * | * | trans | -73.4 | 83.2 | 166.8 | -178 | 0 | 0 | 0 | 0 | 106.7 | V26 A30 | V26-V28 VanDerWaalsContact C-N 3.35Å; V26-V28 HydrophobicContact CG1-CG2 4.19Å; V26-V28 PolarHBondContact O-N 3.47Å; V28-A30 PolarHBondContact O-N 2.94Å; V28-A30 VanDerWaalsContact O-N 3.17Å | ||
| 29 | T | 29.9 | Very low | 32.7 | Very low | 120 Ų | 120 | 121.4 Ų | 121.4 | 74% | 0.736 | 75% | 0.745 | S | S | * | * | trans | -68.2 | 102.5 | 156.1 | 33.5 | 0 | 0 | 0 | 0 | 106.8 | N27 S31 | N27-T29 PolarHBondContact O-N 2.95Å; T29-S31 PolarHBondContact O-N 2.75Å | ||
| 30 | A | 28.7 | Very low | 32.1 | Very low | 79 Ų | 79 | 122.6 Ų | 122.6 | 65% | 0.653 | 76% | 0.758 | S | S | * | * | trans | -54.8 | 130.9 | 163.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | V28 D32 | V28-A30 PolarHBondContact O-N 2.94Å; V28-A30 VanDerWaalsContact O-N 3.17Å; A30-D32 PolarHBondContact O-N 2.92Å | ||
| 31 | S | 28.1 | Very low | 31.7 | Very low | 113 Ų | 113 | 121.7 Ų | 121.7 | 79% | 0.79 | 76% | 0.76 | S | S | * | * | trans | -62.4 | 103.1 | 165.5 | -88.2 | 0 | 0 | 0 | 0 | 108.5 | T29 S33 | T29-S31 PolarHBondContact O-N 2.75Å; S31-S33 VanDerWaalsContact C-N 3.34Å; S31-S33 PolarHBondContact O-N 3.34Å | ||
| 32 | D | 27.5 | Very low | 31.2 | Very low | 154 Ų | 154 | 123.9 Ų | 123.9 | 82% | 0.824 | 77% | 0.766 | S | S | * | * | trans | -65 | 97.1 | 160.8 | -87.7 | -30.4 | 0 | 0 | 0 | 108.1 | A30 A34 | A30-D32 PolarHBondContact O-N 2.92Å; D32-A34 VanDerWaalsContact C-N 3.29Å | ||
| 33 | S | 31.6 | Very low | 30.8 | Very low | 117 Ų | 117 | 128.2 Ų | 128.2 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | -97.6 | 60.5 | 158.6 | -55.1 | 0 | 0 | 0 | 0 | 108.2 | S31 | S31-S33 VanDerWaalsContact C-N 3.34Å; S31-S33 PolarHBondContact O-N 3.34Å | ||
| 34 | A | 31.3 | Very low | 30.5 | Very low | 79 Ų | 79 | 131.4 Ų | 131.4 | 65% | 0.653 | 79% | 0.787 | S | S | * | * | trans | -85.8 | 107.1 | 166.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | D32 N36 | D32-A34 VanDerWaalsContact C-N 3.29Å; A34-N36 PolarHBondContact O-N 3.27Å | ||
| 35 | A | 34.3 | Very low | 30.2 | Very low | 96 Ų | 96 | 128.8 Ų | 128.8 | 79% | 0.793 | 78% | 0.781 | S | S | * | * | trans | -55.8 | 131.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 36 | N | 30.6 | Very low | 30.1 | Very low | 153 Ų | 153 | 133.1 Ų | 133.1 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | -42.4 | 123.7 | -178.8 | -66.4 | -39.5 | 0 | 0 | 0 | 114.2 | A34 L38 | A34-N36 PolarHBondContact O-N 3.27Å; N36-L38 PolarHBondContact O-N 2.92Å | ||
| 37 | P | 30.6 | Very low | 30.2 | Very low | 125 Ų | 125 | 133.5 Ų | 133.5 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | trans | -76.6 | 115 | 151.4 | -2 | 19.6 | 0 | 0 | 0 | 108.1 | Q39 | P37-Q39 PolarHBondContact O-N 2.86Š| ||
| 38 | L | 32.7 | Very low | 30.4 | Very low | 172 Ų | 172 | 132 Ų | 132 | 90% | 0.901 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 128.2 | 166.8 | -82.6 | 151.6 | 0 | 0 | 0 | 109.8 | N36 A40 | N36-L38 PolarHBondContact O-N 2.92Å; L38-A40 PolarHBondContact O-N 3.45Å |
| 39 | Q | 31.1 | Very low | 30.6 | Very low | 192 Ų | 192 | 132.1 Ų | 132.1 | 90% | 0.897 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -52 | 118 | 175.7 | -85.4 | 152.2 | -43.5 | 0 | 0 | 111.4 | P37 | P37-Q39 PolarHBondContact O-N 2.86Š|
| 40 | A | 32.3 | Very low | 30.8 | Very low | 92 Ų | 92 | 131 Ų | 131 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 129.9 | 160 | 0 | 0 | 0 | 0 | 0 | 108.6 | L38 | L38-A40 PolarHBondContact O-N 3.45Š|
| 41 | P | 34 | Very low | 31.3 | Very low | 112 Ų | 112 | 133.9 Ų | 133.9 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -72 | 135.1 | 179.2 | 25.4 | -29.3 | 0 | 0 | 0 | 111.4 | Y43 | P41-Y43 PolarHBondContact O-N 3.44Š|
| 42 | S | 27.7 | Very low | 31.4 | Very low | 110 Ų | 110 | 139.1 Ų | 139.1 | 77% | 0.769 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 122.8 | 173.2 | 51.7 | 0 | 0 | 0 | 0 | 111.6 | Q44 | S42-Q44 PolarHBondContact O-N 3.16Š|
| 43 | Y | 25.6 | Very low | 31.9 | Very low | 231 Ų | 231 | 141.2 Ų | 141.2 | 91% | 0.906 | 82% | 0.819 | S | S | * | * | trans | -80 | 109.5 | 166.5 | -89.3 | -92.5 | 0 | 0 | 0 | 109.7 | P41 | P41-Y43 PolarHBondContact O-N 3.44Š| ||
| 44 | Q | 28.8 | Very low | 32.3 | Very low | 177 Ų | 177 | 141 Ų | 141 | 83% | 0.827 | 82% | 0.815 | S | S | * | * | trans | -91.9 | 126.5 | 159.6 | -82.5 | -177.7 | -26.7 | 0 | 0 | 109.2 | S42 H46 | S42-Q44 PolarHBondContact O-N 3.16Å; Q44-H46 PolarHBondContact O-N 3.41Å | ||
| 45 | S | 28.7 | Very low | 33 | Very low | 113 Ų | 113 | 141.8 Ų | 141.8 | 79% | 0.79 | 82% | 0.821 | S | S | * | * | trans | -73.6 | 111.8 | 172.7 | 53.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 46 | H | 31.9 | Very low | 33.4 | Very low | 180 Ų | 180 | 143.4 Ų | 143.4 | 83% | 0.833 | 82% | 0.821 | S | S | * | * | trans | -133.4 | 115.8 | 157.4 | -95.2 | -54.6 | 0 | 0 | 0 | 111.2 | Q44 | Q44-H46 PolarHBondContact O-N 3.41Š| ||
| 47 | S | 31.8 | Very low | 34.1 | Very low | 119 Ų | 119 | 143.1 Ų | 143.1 | 83% | 0.832 | 82% | 0.819 | S | S | * | * | trans | -64.1 | 121.6 | 165.5 | 170.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 48 | S | 34.2 | Very low | 34.8 | Very low | 113 Ų | 113 | 142 Ų | 142 | 79% | 0.79 | 82% | 0.815 | S | S | * | * | trans | -167 | 132.1 | 136.9 | 49.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 49 | S | 32.3 | Very low | 35.6 | Very low | 127 Ų | 127 | 138.6 Ų | 138.6 | 89% | 0.888 | 81% | 0.805 | S | S | * | * | trans | -66.3 | 129.9 | -178.4 | -56.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 50 | A | 32.5 | Very low | 36.6 | Very low | 97 Ų | 97 | 138.3 Ų | 138.3 | 80% | 0.802 | 80% | 0.797 | S | S | * | * | trans | -144.8 | 115.7 | 153.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | Y52 | A50-Y52 PolarHBondContact O-N 2.98Š| ||
| 51 | V | 39.7 | Very low | 37.3 | Very low | 139 Ų | 139 | 138.6 Ų | 138.6 | 84% | 0.842 | 79% | 0.794 | S | S | * | * | trans | -61.9 | 120.9 | 175.7 | 170.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 52 | Y | 31.1 | Very low | 38.1 | Very low | 223 Ų | 223 | 139.4 Ų | 139.4 | 88% | 0.875 | 79% | 0.791 | S | S | * | * | trans | -144.9 | 109.6 | 157 | -110.7 | -88.4 | 0 | 0 | 0 | 109.3 | A50 | A50-Y52 PolarHBondContact O-N 2.98Š| ||
| 53 | K | 38.3 | Very low | 39.3 | Very low | 198 Ų | 198 | 140.5 Ų | 140.5 | 86% | 0.861 | 79% | 0.788 | S | S | * | * | trans | -90.8 | 136 | 160.2 | -93.1 | 179.1 | 174.4 | 176.6 | 0 | 107.7 | ||||
| 54 | P | 40 | Very low | 40.3 | Very low | 113 Ų | 113 | 136.4 Ų | 136.4 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | trans | -121.4 | 123.9 | 131.2 | 21.9 | -5.9 | 0 | 0 | 0 | 109.1 | V56 | P54-V56 PolarHBondContact O-N 3.23Š| ||
| 55 | A | 44.1 | Very low | 41.4 | Very low | 95 Ų | 95 | 135.2 Ų | 135.2 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | trans | -65.5 | 122 | 162.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 56 | V | 44.5 | Very low | 42.6 | Very low | 131 Ų | 131 | 133.1 Ų | 133.1 | 79% | 0.794 | 77% | 0.765 | S | S | * | * | trans | -139.8 | 113.2 | 155.5 | -176.6 | 0 | 0 | 0 | 0 | 106 | P54 S58 | P54-V56 PolarHBondContact O-N 3.23Å; V56-S58 PolarHBondContact O-N 3.43Å | ||
| 57 | D | 45.4 | Very low | 43.7 | Very low | 146 Ų | 146 | 129.7 Ų | 129.7 | 78% | 0.781 | 76% | 0.761 | S | S | * | * | trans | -51.1 | 123 | 173.2 | -64 | -54.9 | 0 | 0 | 0 | 110.4 | ||||
| 58 | S | 45.1 | Very low | 45 | Very low | 102 Ų | 102 | 131.2 Ų | 131.2 | 71% | 0.713 | 75% | 0.753 | S | S | * | * | trans | -121.4 | 63.9 | 163 | -164.2 | 0 | 0 | 0 | 0 | 108.8 | V56 Y60 | V56-S58 PolarHBondContact O-N 3.43Å; S58-Y60 PolarHBondContact O-N 3.25Å | ||
| 59 | S | 49.2 | Very low | 46.3 | Very low | 101 Ų | 101 | 129.5 Ų | 129.5 | 71% | 0.706 | 74% | 0.739 | S | S | * | * | trans | -69.4 | 74.9 | 154.1 | 35.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 60 | Y | 52.4 | Low | 47.3 | Very low | 186 Ų | 186 | 131.1 Ų | 131.1 | 73% | 0.729 | 73% | 0.733 | S | S | * | * | trans | -121.4 | 65.3 | 164.5 | -82.3 | -79.5 | 0 | 0 | 0 | 110 | S58 I62 | S58-Y60 PolarHBondContact O-N 3.25Å; Y60-I62 VanDerWaalsContact C-N 3.31Å; Y60-I62 HydrophobicContact CD1-CD1 4.26Å; Y60-I62 HydrophobicContact CD1-CG1 4.39Å; Y60-I62 PolarHBondContact O-N 3.32Å | ||
| 61 | S | 45.8 | Very low | 48.3 | Very low | 98 Ų | 98 | 133.9 Ų | 133.9 | 69% | 0.685 | 73% | 0.734 | S | S | * | * | trans | -78.9 | 87.4 | 150.1 | 33.5 | 0 | 0 | 0 | 0 | 107.6 | N63 | S61-N63 PolarHBondContact O-N 3.34Š| ||
| 62 | I | 51.7 | Low | 49.2 | Very low | 129 Ų | 129 | 132.1 Ų | 132.1 | 66% | 0.662 | 72% | 0.723 | S | S | * | * | trans | -68.6 | 86.3 | 162.1 | -62.1 | -80.7 | 0 | 0 | 0 | 106.1 | Y60 L64 | Y60-I62 VanDerWaalsContact C-N 3.31Å; Y60-I62 HydrophobicContact CD1-CD1 4.26Å; Y60-I62 HydrophobicContact CD1-CG1 4.39Å; Y60-I62 PolarHBondContact O-N 3.32Å; I62-L64 HydrophobicContact CG2-CB 4.27Å; I62-L64 PolarHBondContact O-N 3.41Å | ||
| 63 | N | 51.3 | Low | 51 | Low | 132 Ų | 132 | 128 Ų | 128 | 71% | 0.706 | 71% | 0.712 | S | S | * | * | trans | -72.7 | 86.5 | 162.8 | -77.2 | -30 | 0 | 0 | 0 | 107 | S61 L65 | S61-N63 PolarHBondContact O-N 3.34Å; N63-L65 PolarHBondContact O-N 2.99Å | ||
| 64 | L | 48.4 | Very low | 53.1 | Low | 146 Ų | 146 | 121.9 Ų | 121.9 | 76% | 0.764 | 69% | 0.688 | S | S | * | * | trans | -76.2 | 72 | 167.8 | -160.9 | 88.2 | 0 | 0 | 0 | 108.6 | I62 S66 | I62-L64 HydrophobicContact CG2-CB 4.27Å; I62-L64 PolarHBondContact O-N 3.41Å; L64-S66 PolarHBondContact O-N 3.16Å | ||
| 65 | L | 50.2 | Low | 55.4 | Low | 151 Ų | 151 | 118.3 Ų | 118.3 | 79% | 0.791 | 67% | 0.666 | S | S | * | * | trans | -87.2 | 81 | 164.2 | -104.3 | 114.9 | 0 | 0 | 0 | 108 | N63 S67 | N63-L65 PolarHBondContact O-N 2.99Å; L65-S67 PolarHBondContact O-N 3.3Å | ||
| 66 | S | 54.5 | Low | 57.5 | Low | 70 Ų | 70 | 122.1 Ų | 122.1 | 49% | 0.49 | 67% | 0.667 | S | S | . | * | trans | -82.7 | 97.6 | 151.3 | 57.6 | 0 | 0 | 0 | 0 | 106.4 | L64 F68 | L64-S66 PolarHBondContact O-N 3.16Å; S66-F68 PolarHBondContact O-N 3.15Å; S66-F68 VanDerWaalsContact O-N 3.16Å | ||
| 67 | S | 55.5 | Low | 59.6 | Low | 108 Ų | 108 | 119.3 Ų | 119.3 | 76% | 0.755 | 64% | 0.643 | S | S | * | * | trans | -68.1 | 110.5 | 168.7 | 60.7 | 0 | 0 | 0 | 0 | 107.5 | L65 | L65-S67 PolarHBondContact O-N 3.3Š| ||
| 68 | F | 59.5 | Low | 61.8 | Low | 150 Ų | 150 | 112.3 Ų | 112.3 | 66% | 0.658 | 61% | 0.606 | S | S | * | * | trans | -64.9 | 155.2 | 165.7 | -69.2 | -84.1 | 0 | 0 | 0 | 108.9 | S66 E70 | S66-F68 PolarHBondContact O-N 3.15Å; S66-F68 VanDerWaalsContact O-N 3.16Å; F68-E70 PolarHBondContact O-N 3.32Å | ||
| 69 | P | 60.3 | Low | 64 | Low | 77 Ų | 77 | 110.1 Ų | 110.1 | 50% | 0.5 | 59% | 0.59 | S | S | . | * | trans | -54.8 | 137.6 | 177.1 | -18.6 | 29.1 | 0 | 0 | 0 | 110.5 | D71 V72 | P69-D71 PolarHBondContact O-N 3.12Å; P69-V72 HydrophobicContact CB-CG2 4.24Å; P69-V72 HydrophobicContact CG-CG2 4.29Å; P69-V72 WeakPolarHBondContact O-CB 3.36Å; P69-V72 PolarHBondContact O-N 3.15Å | ||
| 70 | E | 54.4 | Low | 66.1 | Low | 161 Ų | 161 | 109.1 Ų | 109.1 | 75% | 0.752 | 57% | 0.574 | S | S | * | * | G | 310 helix | trans | -55.5 | -22 | 179.7 | -82.4 | 151.3 | 150.3 | 0 | 0 | 112.7 | F68 V72 E73 | F68-E70 PolarHBondContact O-N 3.32Å; E70-V72 PolarHBondContact O-N 3.38Å; E70-E73 WeakPolarHBondContact O-CB 3.36Å; E70-E73 PolarHBondContact O-N 3.41Å |
| 71 | D | 52.3 | Low | 68 | Low | 156 Ų | 156 | 101.4 Ų | 101.4 | 83% | 0.834 | 55% | 0.545 | S | S | * | . | G | 310 helix | trans | -70.1 | -11 | 175.2 | -32.4 | -28.3 | 0 | 0 | 0 | 113.8 | P69 | P69-D71 PolarHBondContact O-N 3.12Š|
| 72 | V | 58.6 | Low | 70.3 | Confident | 101 Ų | 101 | 99.9 Ų | 99.9 | 61% | 0.612 | 53% | 0.529 | S | S | * | . | G | 310 helix | trans | -101.8 | 2.9 | 179.5 | -172.2 | 0 | 0 | 0 | 0 | 111.1 | P69 E70 | P69-V72 HydrophobicContact CB-CG2 4.24Å; P69-V72 HydrophobicContact CG-CG2 4.29Å; P69-V72 WeakPolarHBondContact O-CB 3.36Å; P69-V72 PolarHBondContact O-N 3.15Å; E70-V72 PolarHBondContact O-N 3.38Å |
| 73 | E | 69.9 | Low | 72.5 | Confident | 138 Ų | 138 | 99.1 Ų | 99.1 | 65% | 0.645 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -82.7 | 132.5 | -179.6 | -67.9 | -170.9 | 158.8 | 0 | 0 | 112 | E70 S75 | E70-E73 WeakPolarHBondContact O-CB 3.36Å; E70-E73 PolarHBondContact O-N 3.41Å; E73-S75 PolarHBondContact O-N 3.07Å |
| 74 | I | 81.6 | Confident | 74.6 | Confident | 68 Ų | 68 | 95 Ų | 95 | 35% | 0.349 | 50% | 0.496 | S | S | . | . | P | Polyproline II helix | trans | -53.6 | 132.8 | 170.7 | -71.9 | 175 | 0 | 0 | 0 | 108.5 | C78 S79 | I74-C78 HydrophobicContact CG2-CB 3.35Å; I74-S79 PolarHBondContact O-OG 3.48Å |
| 75 | S | 87.8 | Confident | 77 | Confident | 38 Ų | 38 | 88.4 Ų | 88.4 | 27% | 0.266 | 46% | 0.461 | S | S | . | . | P | Polyproline II helix | trans | -52.5 | 147.1 | 179.4 | 72.4 | 0 | 0 | 0 | 0 | 111.7 | E73 Y77 C78 S79 | E73-S75 PolarHBondContact O-N 3.07Å; S75-Y77 PolarHBondContact O-N 3.39Å; S75-Y77 VanDerWaalsContact O-N 3.1Å; S75-C78 PolarHBondContact O-N 3.46Å; S75-C78 WeakPolarHBondContact OG-CB 3.48Å; S75-C78 PolarHBondContact OG-N 3.38Å; S75-C78 PolarHBondContact OG-SG 3.01Å; S75-S79 PolarHBondContact O-N 3.05Å; S75-S79 PolarHBondContact O-OG 3.46Å |
| 76 | E | 88.7 | Confident | 79.3 | Confident | 176 Ų | 176 | 82.7 Ų | 82.7 | 82% | 0.822 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -52 | -38.6 | 179.9 | -172.5 | 179.8 | -176 | 0 | 0 | 112 | S79 E80 | E76-S79 PolarHBondContact O-N 2.96Å; E76-E80 WeakPolarHBondContact O-CB 3.28Å; E76-E80 PolarHBondContact O-N 3Å |
| 77 | Y | 89.5 | Confident | 81.3 | Confident | 71 Ų | 71 | 84 Ų | 84 | 28% | 0.278 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -58.9 | -47.6 | 173.7 | 171 | -112.4 | 0 | 0 | 0 | 113.3 | S75 E80 M81 P130 C135 | S75-Y77 PolarHBondContact O-N 3.39Å; S75-Y77 VanDerWaalsContact O-N 3.1Å; Y77-E80 PolarHBondContact O-N 3.44Å; Y77-M81 HydrophobicContact CE2-CE 3.72Å; Y77-M81 HydrophobicContact CE2-CG 4.22Å; Y77-M81 PolarHBondContact O-N 3.1Å; Y77-M81 VanDerWaalsContact OH-CE 3.25Å; Y77-M81 WeakPolarHBondContact OH-CE 3.32Å; Y77-P130 HydrophobicContact CD2-CG 4.15Å; Y77-P130 HydrophobicContact CE2-CG 4.44Å; Y77-C135 WeakPolarHBondContact CD1-SG 3.41Å; Y77-C135 WeakPolarHBondContact CE1-SG 3.38Å |
| 78 | C | 91.3 | Very high | 83.4 | Confident | 0 Ų | 0 | 83.9 Ų | 83.9 | 0% | 0 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -71.9 | -33.3 | 179.6 | -65.8 | 0 | 0 | 0 | 0 | 111.9 | I74 S75 E80 M81 L82 C135 I139 | I74-C78 HydrophobicContact CG2-CB 3.35Å; S75-C78 PolarHBondContact O-N 3.46Å; S75-C78 WeakPolarHBondContact OG-CB 3.48Å; S75-C78 PolarHBondContact OG-N 3.38Å; S75-C78 PolarHBondContact OG-SG 3.01Å; C78-E80 VanDerWaalsContact C-N 3.34Å; C78-M81 PolarHBondContact O-N 3.01Å; C78-L82 WeakPolarHBondContact O-CB 3.33Å; C78-L82 PolarHBondContact O-N 3.47Å; C78-C135 WeakPolarHBondContact CA-SG 3.33Å; C78-C135 HydrophobicContact CB-CB 3.89Å; C78-C135 WeakPolarHBondContact CB-SG 3.49Å; C78-C135 WeakPolarHBondContact SG-CA 3.39Å; C78-C135 WeakPolarHBondContact SG-CB 3.31Å; C78-C135 CovalentContact SG-SG 2.04Å; C78-C135 PolarHBondContact SG-SG 3.27Å; C78-I139 HydrophobicContact CB-CD1 4.01Å; C78-I139 HydrophobicContact CB-CG1 4.34Å; C78-I139 WeakPolarHBondContact O-CD1 3.21Å |
| 79 | S | 92.1 | Very high | 85.2 | Confident | 55 Ų | 55 | 79.5 Ų | 79.5 | 39% | 0.385 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -62 | -41.7 | 171.8 | -68 | 0 | 0 | 0 | 0 | 111.6 | I74 S75 E76 L82 R83 | I74-S79 PolarHBondContact O-OG 3.48Å; S75-S79 PolarHBondContact O-N 3.05Å; S75-S79 PolarHBondContact O-OG 3.46Å; E76-S79 PolarHBondContact O-N 2.96Å; S79-L82 PolarHBondContact O-N 2.83Å; S79-R83 PolarHBondContact O-N 3.29Å |
| 80 | E | 92.6 | Very high | 87 | Confident | 80 Ų | 80 | 79.4 Ų | 79.4 | 37% | 0.374 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -66.4 | -42.1 | 174.9 | 177.7 | 58.9 | -168.6 | 0 | 0 | 112.1 | E76 Y77 C78 L82 R83 L84 | E76-E80 WeakPolarHBondContact O-CB 3.28Å; E76-E80 PolarHBondContact O-N 3Å; Y77-E80 PolarHBondContact O-N 3.44Å; C78-E80 VanDerWaalsContact C-N 3.34Å; E80-L82 VanDerWaalsContact C-N 3.32Å; E80-L82 PolarHBondContact O-N 3.03Å; E80-R83 WeakPolarHBondContact O-CB 3.46Å; E80-R83 PolarHBondContact O-N 2.89Å; E80-R83 IonicContact OE1-CZ 3.46Å; E80-R83 IonicContact OE1-NE 2.74Å; E80-R83 IonicContact OE1-NH2 2.64Å; E80-R83 PolarHBondContact OE1-NH2 2.99Å; E80-R83 IonicContact OE2-CZ 3.48Å; E80-R83 IonicContact OE2-NE 3.97Å; E80-R83 PolarHBondContact OE2-NE 3.39Å; E80-R83 IonicContact OE2-NH2 3.42Å; E80-R83 PolarHBondContact OE2-NH2 2.98Å; E80-L84 HydrophobicContact CG-CD1 4.39Å; E80-L84 WeakPolarHBondContact O-CG 3.47Å; E80-L84 PolarHBondContact O-N 3.47Å |
| 81 | M | 92.9 | Very high | 89.1 | Confident | 25 Ų | 25 | 73.6 Ų | 73.6 | 12% | 0.123 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -60.7 | -40.5 | 173.7 | -77.1 | -64.7 | -169.1 | 0 | 0 | 112.4 | Y77 C78 R83 L84 F85 N122 I123 | Y77-M81 HydrophobicContact CE2-CE 3.72Å; Y77-M81 HydrophobicContact CE2-CG 4.22Å; Y77-M81 PolarHBondContact O-N 3.1Å; Y77-M81 VanDerWaalsContact OH-CE 3.25Å; Y77-M81 WeakPolarHBondContact OH-CE 3.32Å; C78-M81 PolarHBondContact O-N 3.01Å; M81-R83 VanDerWaalsContact C-N 3.35Å; M81-L84 PolarHBondContact O-N 3.33Å; M81-L84 HydrophobicContact SD-CD1 4.32Å; M81-F85 PolarHBondContact O-N 2.88Å; M81-N122 HydrophobicContact CE-CB 4.32Å; M81-I123 HydrophobicContact CB-CD1 4.25Å; M81-I123 HydrophobicContact CB-CG1 3.92Å; M81-I123 HydrophobicContact CG-CG1 4.49Å |
| 82 | L | 94.2 | Very high | 91.3 | Very high | 66 Ų | 66 | 66.3 Ų | 66.3 | 35% | 0.346 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.3 | -41.9 | 175.2 | -176.2 | 60.1 | 0 | 0 | 0 | 111.5 | C78 S79 E80 F85 G86 I139 V148 | C78-L82 WeakPolarHBondContact O-CB 3.33Å; C78-L82 PolarHBondContact O-N 3.47Å; S79-L82 PolarHBondContact O-N 2.83Å; E80-L82 VanDerWaalsContact C-N 3.32Å; E80-L82 PolarHBondContact O-N 3.03Å; L82-F85 PolarHBondContact O-N 3.23Å; L82-G86 PolarHBondContact O-N 2.71Å; L82-I139 HydrophobicContact CB-CD1 4.34Å; L82-I139 HydrophobicContact CD1-CG2 4.14Å; L82-V148 HydrophobicContact CD1-CG2 3.51Å |
| 83 | R | 96.3 | Very high | 93.2 | Very high | 113 Ų | 113 | 63.3 Ų | 63.3 | 43% | 0.426 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60.9 | -45.8 | 174.6 | -167.6 | -170.1 | 69.1 | 69.9 | 2.7 | 111.3 | S79 E80 M81 G86 Q87 | S79-R83 PolarHBondContact O-N 3.29Å; E80-R83 WeakPolarHBondContact O-CB 3.46Å; E80-R83 PolarHBondContact O-N 2.89Å; E80-R83 IonicContact OE1-CZ 3.46Å; E80-R83 IonicContact OE1-NE 2.74Å; E80-R83 IonicContact OE1-NH2 2.64Å; E80-R83 PolarHBondContact OE1-NH2 2.99Å; E80-R83 IonicContact OE2-CZ 3.48Å; E80-R83 IonicContact OE2-NE 3.97Å; E80-R83 PolarHBondContact OE2-NE 3.39Å; E80-R83 IonicContact OE2-NH2 3.42Å; E80-R83 PolarHBondContact OE2-NH2 2.98Å; M81-R83 VanDerWaalsContact C-N 3.35Å; R83-G86 PolarHBondContact O-N 3.36Å; R83-Q87 WeakPolarHBondContact O-CG 3.41Å; R83-Q87 PolarHBondContact O-N 3.49Å |
| 84 | L | 97 | Very high | 94.5 | Very high | 46 Ų | 46 | 61.8 Ų | 61.8 | 24% | 0.241 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.8 | -43.9 | 176.5 | -72 | 172.6 | 0 | 0 | 0 | 111.6 | E80 M81 G86 Q87 R88 V119 | E80-L84 HydrophobicContact CG-CD1 4.39Å; E80-L84 WeakPolarHBondContact O-CG 3.47Å; E80-L84 PolarHBondContact O-N 3.47Å; M81-L84 PolarHBondContact O-N 3.33Å; M81-L84 HydrophobicContact SD-CD1 4.32Å; L84-G86 VanDerWaalsContact C-N 3.34Å; L84-G86 PolarHBondContact O-N 2.92Å; L84-Q87 PolarHBondContact O-N 3.28Å; L84-R88 WeakPolarHBondContact O-CG 3.25Å; L84-R88 PolarHBondContact O-N 2.95Å; L84-V119 HydrophobicContact CB-CG1 4.34Å |
| 85 | F | 97.7 | Very high | 95.3 | Very high | 6 Ų | 6 | 59.6 Ų | 59.6 | 3% | 0.026 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -57.2 | -48.3 | 174.7 | 176.8 | -91.3 | 0 | 0 | 0 | 111 | M81 L82 Q87 R88 Y89 L116 V119 F120 I123 V148 Y152 | M81-F85 PolarHBondContact O-N 2.88Å; L82-F85 PolarHBondContact O-N 3.23Å; F85-Q87 VanDerWaalsContact C-N 3.32Å; F85-Q87 PolarHBondContact O-N 3.35Å; F85-R88 PolarHBondContact O-N 3.02Å; F85-Y89 HydrophobicContact CE1-CD2 4.27Å; F85-Y89 HydrophobicContact CZ-CD2 4.25Å; F85-Y89 VanDerWaalsContact O-CB 3.26Å; F85-Y89 WeakPolarHBondContact O-CB 3.35Å; F85-Y89 PolarHBondContact O-N 2.87Å; F85-L116 HydrophobicContact CD2-CD1 3.77Å; F85-L116 HydrophobicContact CE2-CD1 3.53Å; F85-L116 HydrophobicContact CZ-CD1 4.14Å; F85-V119 HydrophobicContact CB-CG1 3.96Å; F85-F120 HydrophobicContact CD2-CD2 4.48Å; F85-F120 HydrophobicContact CE2-CB 4.36Å; F85-F120 AromaticContact CE2-CD2 3.94Å; F85-F120 HydrophobicContact CE2-CD2 3.94Å; F85-I123 HydrophobicContact CB-CD1 3.96Å; F85-I123 HydrophobicContact CD2-CD1 4.47Å; F85-I123 HydrophobicContact CG-CD1 4.48Å; F85-V148 HydrophobicContact CD1-CG1 3.98Å; F85-V148 HydrophobicContact CD2-CG1 4.2Å; F85-V148 HydrophobicContact CE1-CB 4.44Å; F85-V148 HydrophobicContact CE1-CG1 3.81Å; F85-V148 HydrophobicContact CE2-CG1 4.02Å; F85-V148 HydrophobicContact CG-CG1 4.18Å; F85-V148 HydrophobicContact CZ-CG1 3.82Å; F85-Y152 HydrophobicContact CE2-CD2 4.46Å |
| 86 | G | 97.9 | Very high | 95.8 | Very high | 31 Ų | 31 | 58.7 Ų | 58.7 | 32% | 0.32 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -57.1 | -43 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L82 R83 L84 Y89 V90 | L82-G86 PolarHBondContact O-N 2.71Å; R83-G86 PolarHBondContact O-N 3.36Å; L84-G86 VanDerWaalsContact C-N 3.34Å; L84-G86 PolarHBondContact O-N 2.92Å; G86-Y89 PolarHBondContact O-N 2.86Å; G86-V90 WeakPolarHBondContact O-CG2 3.29Å; G86-V90 PolarHBondContact O-N 3.42Å |
| 87 | Q | 98.3 | Very high | 96.1 | Very high | 99 Ų | 99 | 56.2 Ų | 56.2 | 46% | 0.463 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.5 | -44.6 | 176.6 | -70.9 | -174.8 | -34.5 | 0 | 0 | 112.6 | R83 L84 F85 A91 | R83-Q87 WeakPolarHBondContact O-CG 3.41Å; R83-Q87 PolarHBondContact O-N 3.49Å; L84-Q87 PolarHBondContact O-N 3.28Å; F85-Q87 VanDerWaalsContact C-N 3.32Å; F85-Q87 PolarHBondContact O-N 3.35Å; Q87-A91 WeakPolarHBondContact O-CB 3.18Å; Q87-A91 PolarHBondContact O-N 3.42Å |
| 88 | R | 98.4 | Very high | 96.5 | Very high | 105 Ų | 105 | 57.4 Ų | 57.4 | 40% | 0.396 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -70.9 | -35.9 | 179 | -59 | -44.5 | 178.4 | 172 | -3.3 | 112.4 | L84 F85 A91 Y92 S115 L116 V119 | L84-R88 WeakPolarHBondContact O-CG 3.25Å; L84-R88 PolarHBondContact O-N 2.95Å; F85-R88 PolarHBondContact O-N 3.02Å; R88-A91 PolarHBondContact O-N 3.33Å; R88-Y92 PolarHBondContact O-N 3.4Å; R88-S115 VanDerWaalsContact CD-OG 3.23Å; R88-S115 WeakPolarHBondContact CD-OG 3.4Å; R88-S115 PolarHBondContact NE-OG 3.2Å; R88-L116 HydrophobicContact CB-CB 4.14Å; R88-L116 HydrophobicContact CB-CD1 4.11Å; R88-V119 HydrophobicContact CG-CG2 3.94Å |
| 89 | Y | 98.4 | Very high | 96.7 | Very high | 58 Ų | 58 | 57.6 Ų | 57.6 | 23% | 0.227 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.5 | -51.3 | 174.9 | 178.6 | -85.2 | 0 | 0 | 0 | 110.7 | F85 G86 A91 Y92 V93 L151 L155 | F85-Y89 HydrophobicContact CE1-CD2 4.27Å; F85-Y89 HydrophobicContact CZ-CD2 4.25Å; F85-Y89 VanDerWaalsContact O-CB 3.26Å; F85-Y89 WeakPolarHBondContact O-CB 3.35Å; F85-Y89 PolarHBondContact O-N 2.87Å; G86-Y89 PolarHBondContact O-N 2.86Å; Y89-A91 VanDerWaalsContact C-N 3.34Å; Y89-A91 PolarHBondContact O-N 3.44Å; Y89-Y92 PolarHBondContact O-N 3.12Å; Y89-V93 HydrophobicContact CD1-CG2 4.15Å; Y89-V93 HydrophobicContact CE1-CG2 3.72Å; Y89-V93 HydrophobicContact CE2-CG2 4.44Å; Y89-V93 VanDerWaalsContact O-CG2 3.31Å; Y89-V93 WeakPolarHBondContact O-CG2 3.3Å; Y89-V93 PolarHBondContact O-N 3.36Å; Y89-L151 HydrophobicContact CD2-CB 4.21Å; Y89-L151 HydrophobicContact CE2-CB 3.67Å; Y89-L151 HydrophobicContact CE2-CD1 4.36Å; Y89-L151 HydrophobicContact CE2-CD2 4.15Å; Y89-L151 HydrophobicContact CE2-CG 4.27Å; Y89-L155 HydrophobicContact CD2-CD1 3.35Å; Y89-L155 HydrophobicContact CE2-CD1 3.17Å; Y89-L155 HydrophobicContact CE2-CG 4Å; Y89-L155 HydrophobicContact CG-CD1 4.35Å |
| 90 | V | 98.3 | Very high | 96.9 | Very high | 75 Ų | 75 | 57.2 Ų | 57.2 | 46% | 0.455 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.4 | -42 | 178.1 | 171 | 0 | 0 | 0 | 0 | 111.1 | G86 Y92 V93 N94 | G86-V90 WeakPolarHBondContact O-CG2 3.29Å; G86-V90 PolarHBondContact O-N 3.42Å; V90-Y92 PolarHBondContact O-N 3.41Å; V90-V93 PolarHBondContact O-N 3.09Å; V90-N94 WeakPolarHBondContact CG1-ND2 3.43Å; V90-N94 VanDerWaalsContact O-CB 3.23Å; V90-N94 WeakPolarHBondContact O-CB 3.49Å; V90-N94 PolarHBondContact O-N 2.89Å; V90-N94 PolarHBondContact O-ND2 2.91Å |
| 91 | A | 98.3 | Very high | 97 | Very high | 38 Ų | 38 | 63 Ų | 63 | 31% | 0.314 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -59.3 | -45.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q87 R88 Y89 N94 C95 | Q87-A91 WeakPolarHBondContact O-CB 3.18Å; Q87-A91 PolarHBondContact O-N 3.42Å; R88-A91 PolarHBondContact O-N 3.33Å; Y89-A91 VanDerWaalsContact C-N 3.34Å; Y89-A91 PolarHBondContact O-N 3.44Å; A91-N94 PolarHBondContact O-N 3.42Å; A91-C95 PolarHBondContact O-N 3.49Å; A91-C95 VanDerWaalsContact O-N 3.12Å |
| 92 | Y | 97.9 | Very high | 97 | Very high | 3 Ų | 3 | 64.8 Ų | 64.8 | 1% | 0.012 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65.8 | -45.7 | 178.7 | -177.5 | -127.7 | 0 | 0 | 0 | 112.3 | R88 Y89 V90 N94 C95 L96 C109 E112 Y113 L116 L155 | R88-Y92 PolarHBondContact O-N 3.4Å; Y89-Y92 PolarHBondContact O-N 3.12Å; V90-Y92 PolarHBondContact O-N 3.41Å; Y92-N94 VanDerWaalsContact C-N 3.33Å; Y92-N94 PolarHBondContact O-N 3.45Å; Y92-C95 WeakPolarHBondContact O-CB 3.36Å; Y92-C95 PolarHBondContact O-N 2.81Å; Y92-C95 VanDerWaalsContact O-N 3.08Å; Y92-L96 HydrophobicContact CD1-CD1 3.94Å; Y92-L96 HydrophobicContact CD1-CG 4.44Å; Y92-L96 HydrophobicContact CD2-CG 4.29Å; Y92-L96 HydrophobicContact CE1-CD1 3.57Å; Y92-L96 HydrophobicContact CE1-CD2 4.48Å; Y92-L96 HydrophobicContact CE1-CG 4.16Å; Y92-L96 HydrophobicContact CE2-CD1 4.28Å; Y92-L96 HydrophobicContact CE2-CD2 3.89Å; Y92-L96 HydrophobicContact CE2-CG 3.96Å; Y92-L96 HydrophobicContact CG-CD1 4.49Å; Y92-L96 WeakPolarHBondContact O-CG 3.3Å; Y92-L96 PolarHBondContact O-N 3.32Å; Y92-C109 HydrophobicContact CD2-CB 4Å; Y92-C109 HydrophobicContact CE2-CB 3.68Å; Y92-C109 WeakPolarHBondContact CE2-O 3.3Å; Y92-E112 HydrophobicContact CD2-CB 3.82Å; Y92-E112 HydrophobicContact CG-CB 4.38Å; Y92-Y113 AromaticContact CE1-CD2 3.88Å; Y92-Y113 HydrophobicContact CE1-CD2 3.88Å; Y92-Y113 HydrophobicContact CE2-CD2 4.33Å; Y92-Y113 HydrophobicContact CE2-CG 4.4Å; Y92-Y113 AromaticContact CZ-CD2 3.73Å; Y92-L116 HydrophobicContact CD1-CD2 3.95Å; Y92-L116 HydrophobicContact CG-CD2 4.45Å; Y92-L155 HydrophobicContact CD1-CB 4.29Å; Y92-L155 HydrophobicContact CD1-CD1 3.85Å; Y92-L155 HydrophobicContact CD1-CD2 3.99Å; Y92-L155 HydrophobicContact CD1-CG 4.26Å; Y92-L155 HydrophobicContact CE1-CB 3.98Å; Y92-L155 HydrophobicContact CE1-CD1 4.36Å; Y92-L155 HydrophobicContact CE1-CD2 3.93Å; Y92-L155 HydrophobicContact CE1-CG 4.3Å |
| 93 | V | 98.1 | Very high | 97.1 | Very high | 39 Ų | 39 | 62.9 Ų | 62.9 | 24% | 0.236 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.1 | -42.1 | 177 | 174 | 0 | 0 | 0 | 0 | 111.1 | Y89 V90 C95 L96 I97 L155 | Y89-V93 HydrophobicContact CD1-CG2 4.15Å; Y89-V93 HydrophobicContact CE1-CG2 3.72Å; Y89-V93 HydrophobicContact CE2-CG2 4.44Å; Y89-V93 VanDerWaalsContact O-CG2 3.31Å; Y89-V93 WeakPolarHBondContact O-CG2 3.3Å; Y89-V93 PolarHBondContact O-N 3.36Å; V90-V93 PolarHBondContact O-N 3.09Å; V93-C95 PolarHBondContact O-N 3.02Å; V93-L96 PolarHBondContact O-N 3.31Å; V93-L96 VanDerWaalsContact O-N 3.09Å; V93-I97 HydrophobicContact CG1-CG1 4.2Å; V93-I97 WeakPolarHBondContact O-CG1 3.41Å; V93-I97 PolarHBondContact O-N 3.45Å; V93-I97 VanDerWaalsContact O-N 3.1Å; V93-L155 HydrophobicContact CG2-CD1 4.4Å; V93-L155 HydrophobicContact CG2-CD2 4.23Å |
| 94 | N | 98.1 | Very high | 97.1 | Very high | 106 Ų | 106 | 63.9 Ų | 63.9 | 57% | 0.567 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -62.2 | -25.8 | 175.9 | -76.6 | -14.9 | 0 | 0 | 0 | 113 | V90 A91 Y92 P98 | V90-N94 WeakPolarHBondContact CG1-ND2 3.43Å; V90-N94 VanDerWaalsContact O-CB 3.23Å; V90-N94 WeakPolarHBondContact O-CB 3.49Å; V90-N94 PolarHBondContact O-N 2.89Å; V90-N94 PolarHBondContact O-ND2 2.91Å; A91-N94 PolarHBondContact O-N 3.42Å; Y92-N94 VanDerWaalsContact C-N 3.33Å; Y92-N94 PolarHBondContact O-N 3.45Å; N94-P98 WeakPolarHBondContact O-CD 3.35Å; N94-P98 VanDerWaalsContact O-CG 3.27Å; N94-P98 WeakPolarHBondContact O-CG 3.13Å |
| 95 | C | 97.8 | Very high | 97 | Very high | 22 Ų | 22 | 62.4 Ų | 62.4 | 15% | 0.149 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -78.1 | -43.7 | 170.1 | -175.8 | 0 | 0 | 0 | 0 | 112.1 | A91 Y92 V93 I97 P98 A99 C109 E112 | A91-C95 PolarHBondContact O-N 3.49Å; A91-C95 VanDerWaalsContact O-N 3.12Å; Y92-C95 WeakPolarHBondContact O-CB 3.36Å; Y92-C95 PolarHBondContact O-N 2.81Å; Y92-C95 VanDerWaalsContact O-N 3.08Å; V93-C95 PolarHBondContact O-N 3.02Å; C95-I97 PolarHBondContact O-N 2.99Å; C95-P98 VanDerWaalsContact O-CD 3.3Å; C95-P98 WeakPolarHBondContact O-CD 3.48Å; C95-P98 WeakPolarHBondContact O-CG 3.19Å; C95-A99 VanDerWaalsContact O-CB 3.29Å; C95-A99 WeakPolarHBondContact O-CB 3.35Å; C95-A99 PolarHBondContact O-N 3.43Å; C95-C109 HydrophobicContact CB-CB 3.78Å; C95-C109 WeakPolarHBondContact CB-SG 3.4Å; C95-C109 PolarHBondContact O-SG 2.97Å; C95-C109 VanDerWaalsContact O-SG 3.37Å; C95-C109 WeakPolarHBondContact SG-CA 3.45Å; C95-C109 WeakPolarHBondContact SG-CB 3.44Å; C95-C109 CovalentContact SG-SG 2.04Å; C95-C109 PolarHBondContact SG-SG 3.38Å; C95-E112 HydrophobicContact CB-CG 4.44Å |
| 96 | L | 97.6 | Very high | 97 | Very high | 19 Ų | 19 | 62.1 Ų | 62.1 | 10% | 0.099 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.3 | -44.9 | -176.2 | -74 | 179.3 | 0 | 0 | 0 | 113.3 | Y92 V93 A99 A100 V105 C109 L155 | Y92-L96 HydrophobicContact CD1-CD1 3.94Å; Y92-L96 HydrophobicContact CD1-CG 4.44Å; Y92-L96 HydrophobicContact CD2-CG 4.29Å; Y92-L96 HydrophobicContact CE1-CD1 3.57Å; Y92-L96 HydrophobicContact CE1-CD2 4.48Å; Y92-L96 HydrophobicContact CE1-CG 4.16Å; Y92-L96 HydrophobicContact CE2-CD1 4.28Å; Y92-L96 HydrophobicContact CE2-CD2 3.89Å; Y92-L96 HydrophobicContact CE2-CG 3.96Å; Y92-L96 HydrophobicContact CG-CD1 4.49Å; Y92-L96 WeakPolarHBondContact O-CG 3.3Å; Y92-L96 PolarHBondContact O-N 3.32Å; V93-L96 PolarHBondContact O-N 3.31Å; V93-L96 VanDerWaalsContact O-N 3.09Å; L96-A99 CarbonylContact O-C 3.46Å; L96-A99 PolarHBondContact O-N 3.19Å; L96-A100 PolarHBondContact O-N 2.84Å; L96-V105 HydrophobicContact CD2-CB 3.82Å; L96-V105 HydrophobicContact CD2-CG1 3.87Å; L96-C109 HydrophobicContact CD2-CB 4.32Å; L96-L155 HydrophobicContact CD1-CD2 3.93Å |
| 97 | I | 96.8 | Very high | 96.8 | Very high | 124 Ų | 124 | 62.1 Ų | 62.1 | 64% | 0.636 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -54.6 | -174.7 | -61.9 | -57.6 | 0 | 0 | 0 | 112.9 | V93 C95 A99 A100 | V93-I97 HydrophobicContact CG1-CG1 4.2Å; V93-I97 WeakPolarHBondContact O-CG1 3.41Å; V93-I97 PolarHBondContact O-N 3.45Å; V93-I97 VanDerWaalsContact O-N 3.1Å; C95-I97 PolarHBondContact O-N 2.99Å; I97-A99 VanDerWaalsContact C-N 3.26Å; I97-A99 PolarHBondContact O-N 3.21Å; I97-A100 VanDerWaalsContact O-CB 3.31Å; I97-A100 WeakPolarHBondContact O-CB 3.41Å; I97-A100 PolarHBondContact O-N 3.18Å |
| 98 | P | 96.9 | Very high | 96.6 | Very high | 95 Ų | 95 | 61.5 Ų | 61.5 | 62% | 0.617 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -26.9 | 177.3 | 27.1 | -35 | 0 | 0 | 0 | 112.7 | N94 C95 A100 | N94-P98 WeakPolarHBondContact O-CD 3.35Å; N94-P98 VanDerWaalsContact O-CG 3.27Å; N94-P98 WeakPolarHBondContact O-CG 3.13Å; C95-P98 VanDerWaalsContact O-CD 3.3Å; C95-P98 WeakPolarHBondContact O-CD 3.48Å; C95-P98 WeakPolarHBondContact O-CG 3.19Å; P98-A100 VanDerWaalsContact C-N 3.25Å; P98-A100 PolarHBondContact O-N 3.27Å |
| 99 | A | 96.4 | Very high | 96.5 | Very high | 5 Ų | 5 | 56.5 Ų | 56.5 | 4% | 0.041 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | 1.4 | 177 | 0 | 0 | 0 | 0 | 0 | 113.8 | C95 L96 I97 V103 R104 V105 | C95-A99 VanDerWaalsContact O-CB 3.29Å; C95-A99 WeakPolarHBondContact O-CB 3.35Å; C95-A99 PolarHBondContact O-N 3.43Å; L96-A99 CarbonylContact O-C 3.46Å; L96-A99 PolarHBondContact O-N 3.19Å; I97-A99 VanDerWaalsContact C-N 3.26Å; I97-A99 PolarHBondContact O-N 3.21Å; A99-V103 CarbonylContact O-C 3.48Å; A99-V103 WeakPolarHBondContact O-CA 3.32Å; A99-R104 HydrophobicContact CB-CB 4.41Å; A99-R104 PolarHBondContact O-N 3.02Å; A99-V105 HydrophobicContact CB-CG1 4.08Å |
| 100 | A | 95.1 | Very high | 96.5 | Very high | 46 Ų | 46 | 53.7 Ų | 53.7 | 38% | 0.38 | 29% | 0.287 | S | S | . | . | B | Isolated β-bridge | trans | -74.1 | -26.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L96 I97 P98 V103 | L96-A100 PolarHBondContact O-N 2.84Å; I97-A100 VanDerWaalsContact O-CB 3.31Å; I97-A100 WeakPolarHBondContact O-CB 3.41Å; I97-A100 PolarHBondContact O-N 3.18Å; P98-A100 VanDerWaalsContact C-N 3.25Å; P98-A100 PolarHBondContact O-N 3.27Å; A100-V103 WeakPolarHBondContact O-CG2 3.22Å |
| 101 | R | 94 | Very high | 96.4 | Very high | 201 Ų | 201 | 52.8 Ų | 52.8 | 76% | 0.758 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -150.4 | 115.7 | -178.6 | -64 | -63.1 | -78.9 | -152.2 | -8.7 | 112.3 | ||
| 102 | P | 93.1 | Very high | 96.3 | Very high | 64 Ų | 64 | 54 Ų | 54 | 42% | 0.416 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -61.7 | 153.4 | -12.8 | 28.8 | -35 | 0 | 0 | 0 | 111.2 | R104 M238 | P102-R104 PolarHBondContact O-N 3.32Å; P102-M238 HydrophobicContact CB-SD 4.28Å |
| 103 | V | 96.8 | Very high | 96.3 | Very high | 25 Ų | 25 | 54.6 Ų | 54.6 | 15% | 0.152 | 28% | 0.284 | C | S | . | . | B | Isolated β-bridge | trans | -68.9 | 118.9 | -171.5 | -176.3 | 0 | 0 | 0 | 0 | 110.6 | A99 A100 V105 I230 D234 | A99-V103 CarbonylContact O-C 3.48Å; A99-V103 WeakPolarHBondContact O-CA 3.32Å; A100-V103 WeakPolarHBondContact O-CG2 3.22Å; V103-V105 HydrophobicContact CG1-CG1 4.44Å; V103-V105 HydrophobicContact CG1-CG2 4.05Å; V103-I230 HydrophobicContact CG1-CG1 4.07Å; V103-I230 HydrophobicContact CG1-CG2 3.88Å; V103-D234 HydrophobicContact CB-CB 3.74Å; V103-D234 HydrophobicContact CG2-CB 3.9Å; V103-D234 WeakPolarHBondContact CG2-OD2 3.44Å; V103-D234 PolarHBondContact N-OD2 2.96Å |
| 104 | R | 95.7 | Very high | 96.2 | Very high | 134 Ų | 134 | 55.8 Ų | 55.8 | 51% | 0.506 | 29% | 0.286 | S | S | . | . | trans | -142.1 | 31.5 | 178.7 | -62.3 | -174.3 | -179.4 | 176.7 | -0.1 | 112.1 | A99 P102 N108 D231 | A99-R104 HydrophobicContact CB-CB 4.41Å; A99-R104 PolarHBondContact O-N 3.02Å; P102-R104 PolarHBondContact O-N 3.32Å; R104-N108 VanDerWaalsContact O-CB 3.26Å; R104-N108 WeakPolarHBondContact O-CB 3.46Å; R104-N108 PolarHBondContact O-N 3.02Å; R104-N108 VanDerWaalsContact O-N 3.1Å; R104-D231 VanDerWaalsContact C-OD2 3.26Å; R104-D231 WeakPolarHBondContact CA-OD2 3.4Å | ||
| 105 | V | 96.6 | Very high | 96.2 | Very high | 16 Ų | 16 | 52.2 Ų | 52.2 | 10% | 0.097 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -71.4 | -35.4 | -169.9 | -64.7 | 0 | 0 | 0 | 0 | 111.8 | L96 A99 V103 C109 I230 D231 | L96-V105 HydrophobicContact CD2-CB 3.82Å; L96-V105 HydrophobicContact CD2-CG1 3.87Å; A99-V105 HydrophobicContact CB-CG1 4.08Å; V103-V105 HydrophobicContact CG1-CG1 4.44Å; V103-V105 HydrophobicContact CG1-CG2 4.05Å; V105-C109 VanDerWaalsContact O-CB 3.22Å; V105-C109 WeakPolarHBondContact O-CB 3.41Å; V105-C109 PolarHBondContact O-N 3.35Å; V105-I230 HydrophobicContact CG2-CG2 3.73Å; V105-D231 PolarHBondContact N-OD1 3.15Å; V105-D231 PolarHBondContact N-OD2 3.15Å |
| 106 | C | 96.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -74.5 | -46.1 | -179.4 | -57.2 | 0 | 0 | 0 | 0 | 111 | S110 C164 V168 D231 | C106-S110 WeakPolarHBondContact O-CB 3.17Å; C106-S110 PolarHBondContact O-N 3.36Å; C106-C164 WeakPolarHBondContact CA-SG 3.3Å; C106-C164 HydrophobicContact CB-CB 3.57Å; C106-C164 WeakPolarHBondContact CB-SG 3.37Å; C106-C164 WeakPolarHBondContact SG-CA 3.44Å; C106-C164 WeakPolarHBondContact SG-CB 3.09Å; C106-C164 CovalentContact SG-SG 2.04Å; C106-C164 PolarHBondContact SG-SG 2.97Å; C106-V168 WeakPolarHBondContact O-CG1 3.37Å; C106-D231 WeakPolarHBondContact CA-OD2 3.32Å; C106-D231 WeakPolarHBondContact CB-OD2 3.3Å; C106-D231 PolarHBondContact N-OD1 3.36Å; C106-D231 PolarHBondContact N-OD2 2.8Å |
| 107 | Q | 93.4 | Very high | 96.2 | Very high | 31 Ų | 31 | 51.1 Ų | 51.1 | 15% | 0.145 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -71.9 | -39.4 | -175.5 | -66.5 | 167.6 | 42 | 0 | 0 | 112.7 | P175 T179 D231 | Q107-P175 HydrophobicContact CB-CG 4.31Å; Q107-P175 HydrophobicContact CG-CG 4.18Å; Q107-T179 HydrophobicContact CG-CG2 4.4Å; Q107-D231 WeakPolarHBondContact CG-OD2 3.22Å; Q107-D231 PolarHBondContact N-OD2 3.42Å |
| 108 | N | 94.5 | Very high | 96.1 | Very high | 85 Ų | 85 | 48.6 Ų | 48.6 | 46% | 0.455 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -88.6 | -31.6 | -174.7 | -67.4 | -6.4 | 0 | 0 | 0 | 113.2 | R104 | R104-N108 VanDerWaalsContact O-CB 3.26Å; R104-N108 WeakPolarHBondContact O-CB 3.46Å; R104-N108 PolarHBondContact O-N 3.02Å; R104-N108 VanDerWaalsContact O-N 3.1Å |
| 109 | C | 97.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -111.5 | 7.8 | -167.3 | -47.8 | 0 | 0 | 0 | 0 | 114.3 | Y92 C95 L96 V105 P111 E112 Y113 | Y92-C109 HydrophobicContact CD2-CB 4Å; Y92-C109 HydrophobicContact CE2-CB 3.68Å; Y92-C109 WeakPolarHBondContact CE2-O 3.3Å; C95-C109 HydrophobicContact CB-CB 3.78Å; C95-C109 WeakPolarHBondContact CB-SG 3.4Å; C95-C109 PolarHBondContact O-SG 2.97Å; C95-C109 VanDerWaalsContact O-SG 3.37Å; C95-C109 WeakPolarHBondContact SG-CA 3.45Å; C95-C109 WeakPolarHBondContact SG-CB 3.44Å; C95-C109 CovalentContact SG-SG 2.04Å; C95-C109 PolarHBondContact SG-SG 3.38Å; L96-C109 HydrophobicContact CD2-CB 4.32Å; V105-C109 VanDerWaalsContact O-CB 3.22Å; V105-C109 WeakPolarHBondContact O-CB 3.41Å; V105-C109 PolarHBondContact O-N 3.35Å; C109-P111 VanDerWaalsContact C-CD 3.44Å; C109-E112 WeakPolarHBondContact CA-OE2 3.32Å; C109-E112 PolarHBondContact O-N 3.14Å; C109-Y113 WeakPolarHBondContact O-CB 3.37Å; C109-Y113 PolarHBondContact O-N 2.88Å |
| 110 | S | 96.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.7 | -38.9 | 175.7 | 74 | 0 | 0 | 0 | 0 | 114.1 | C106 Y113 K114 L172 | C106-S110 WeakPolarHBondContact O-CB 3.17Å; C106-S110 PolarHBondContact O-N 3.36Å; S110-Y113 PolarHBondContact O-N 2.69Å; S110-K114 WeakPolarHBondContact O-CB 3.31Å; S110-K114 PolarHBondContact O-N 2.99Å; S110-L172 CarbonylContact C-O 3.43Å; S110-L172 WeakPolarHBondContact CB-O 3.37Å; S110-L172 PolarHBondContact OG-O 2.84Å |
| 111 | P | 96.2 | Very high | 96.1 | Very high | 55 Ų | 55 | 47.6 Ų | 47.6 | 36% | 0.357 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -66.5 | -40.9 | 179.3 | -20.8 | 35.5 | 0 | 0 | 0 | 112.2 | C109 K114 S115 | C109-P111 VanDerWaalsContact C-CD 3.44Å; P111-K114 WeakPolarHBondContact O-CB 3.32Å; P111-K114 PolarHBondContact O-N 3.46Å; P111-S115 PolarHBondContact O-N 2.98Å |
| 112 | E | 97.1 | Very high | 96.1 | Very high | 63 Ų | 63 | 42.2 Ų | 42.2 | 29% | 0.294 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -67.9 | -41 | 177.5 | -68.3 | 73.7 | -164.6 | 0 | 0 | 111.2 | Y92 C95 C109 K114 S115 L116 | Y92-E112 HydrophobicContact CD2-CB 3.82Å; Y92-E112 HydrophobicContact CG-CB 4.38Å; C95-E112 HydrophobicContact CB-CG 4.44Å; C109-E112 WeakPolarHBondContact CA-OE2 3.32Å; C109-E112 PolarHBondContact O-N 3.14Å; E112-K114 VanDerWaalsContact C-N 3.35Å; E112-K114 PolarHBondContact O-N 2.8Å; E112-S115 PolarHBondContact O-N 2.91Å; E112-L116 WeakPolarHBondContact O-CB 3Å; E112-L116 PolarHBondContact O-N 2.65Å |
| 113 | Y | 97.4 | Very high | 96.1 | Very high | 16 Ų | 16 | 39.3 Ų | 39.3 | 6% | 0.063 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.7 | -47.6 | 173.6 | 178.8 | -108.8 | 0 | 0 | 0 | 111.3 | Y92 C109 S110 S115 L116 S117 W159 L172 | Y92-Y113 AromaticContact CE1-CD2 3.88Å; Y92-Y113 HydrophobicContact CE1-CD2 3.88Å; Y92-Y113 HydrophobicContact CE2-CD2 4.33Å; Y92-Y113 HydrophobicContact CE2-CG 4.4Å; Y92-Y113 AromaticContact CZ-CD2 3.73Å; C109-Y113 WeakPolarHBondContact O-CB 3.37Å; C109-Y113 PolarHBondContact O-N 2.88Å; S110-Y113 PolarHBondContact O-N 2.69Å; Y113-S115 PolarHBondContact O-N 3.49Å; Y113-L116 PolarHBondContact O-N 3.45Å; Y113-S117 WeakPolarHBondContact O-CB 3.4Å; Y113-S117 PolarHBondContact O-N 3.31Å; Y113-W159 AromaticContact CD1-CD2 3.35Å; Y113-W159 HydrophobicContact CD1-CD2 3.35Å; Y113-W159 AromaticContact CD1-CE2 3.58Å; Y113-W159 AromaticContact CD1-CE3 3.51Å; Y113-W159 HydrophobicContact CD1-CE3 3.51Å; Y113-W159 AromaticContact CD1-CG 3.85Å; Y113-W159 HydrophobicContact CD1-CG 3.85Å; Y113-W159 HydrophobicContact CD1-CH2 4.11Å; Y113-W159 AromaticContact CD1-CZ2 3.97Å; Y113-W159 HydrophobicContact CD1-CZ2 3.97Å; Y113-W159 AromaticContact CD1-CZ3 3.9Å; Y113-W159 HydrophobicContact CD1-CZ3 3.9Å; Y113-W159 HydrophobicContact CD2-CB 4.12Å; Y113-W159 HydrophobicContact CD2-CD2 4.21Å; Y113-W159 HydrophobicContact CD2-CE3 4.11Å; Y113-W159 HydrophobicContact CD2-CG 4.23Å; Y113-W159 HydrophobicContact CE1-CB 4.12Å; Y113-W159 AromaticContact CE1-CD1 3.47Å; Y113-W159 VanDerWaalsContact CE1-CD1 3.47Å; Y113-W159 AromaticContact CE1-CD2 3.38Å; Y113-W159 HydrophobicContact CE1-CD2 3.38Å; Y113-W159 AromaticContact CE1-CE2 3.5Å; Y113-W159 HydrophobicContact CE1-CE3 4.04Å; Y113-W159 AromaticContact CE1-CG 3.38Å; Y113-W159 HydrophobicContact CE1-CG 3.38Å; Y113-W159 HydrophobicContact CE1-CZ2 4.25Å; Y113-W159 AromaticContact CE1-NE1 3.52Å; Y113-W159 HydrophobicContact CE2-CB 3.6Å; Y113-W159 HydrophobicContact CE2-CD2 4.23Å; Y113-W159 AromaticContact CE2-CG 3.81Å; Y113-W159 HydrophobicContact CE2-CG 3.81Å; Y113-W159 AromaticContact CG-CD2 3.79Å; Y113-W159 HydrophobicContact CG-CD2 3.79Å; Y113-W159 AromaticContact CG-CE3 3.55Å; Y113-W159 HydrophobicContact CG-CE3 3.55Å; Y113-W159 HydrophobicContact CG-CG 4.24Å; Y113-W159 HydrophobicContact CG-CZ3 4.03Å; Y113-W159 AromaticContact CZ-CD1 3.57Å; Y113-W159 AromaticContact CZ-CD2 3.83Å; Y113-W159 AromaticContact CZ-CG 3.35Å; Y113-L172 HydrophobicContact CD1-CD1 4.13Å |
| 114 | K | 97.1 | Very high | 96 | Very high | 64 Ų | 64 | 39.5 Ų | 39.5 | 28% | 0.278 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -56.4 | -51.2 | 175.6 | -174.4 | -168.2 | -173.2 | 170.5 | 0 | 111 | S110 P111 E112 L116 S117 D118 D171 L172 | S110-K114 WeakPolarHBondContact O-CB 3.31Å; S110-K114 PolarHBondContact O-N 2.99Å; P111-K114 WeakPolarHBondContact O-CB 3.32Å; P111-K114 PolarHBondContact O-N 3.46Å; E112-K114 VanDerWaalsContact C-N 3.35Å; E112-K114 PolarHBondContact O-N 2.8Å; K114-L116 VanDerWaalsContact C-N 3.28Å; K114-L116 PolarHBondContact O-N 3.39Å; K114-S117 PolarHBondContact O-N 3.44Å; K114-S117 VanDerWaalsContact O-N 3.11Å; K114-D118 WeakPolarHBondContact O-CB 3.34Å; K114-D118 VanDerWaalsContact O-CG 3.23Å; K114-D118 PolarHBondContact O-N 2.92Å; K114-D171 WeakPolarHBondContact CD-O 3.32Å; K114-D171 WeakPolarHBondContact CE-O 3.43Å; K114-D171 PolarHBondContact NZ-O 2.86Å; K114-L172 HydrophobicContact CB-CB 3.9Å; K114-L172 HydrophobicContact CB-CD1 3.75Å; K114-L172 HydrophobicContact CB-CG 4.44Å; K114-L172 HydrophobicContact CD-CB 4.16Å; K114-L172 HydrophobicContact CG-CB 4.27Å; K114-L172 HydrophobicContact CG-CD1 4.05Å |
| 115 | S | 96.8 | Very high | 95.6 | Very high | 32 Ų | 32 | 34.7 Ų | 34.7 | 22% | 0.224 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.6 | -38 | -178.2 | -175.8 | 0 | 0 | 0 | 0 | 112.4 | R88 P111 E112 Y113 V119 | R88-S115 VanDerWaalsContact CD-OG 3.23Å; R88-S115 WeakPolarHBondContact CD-OG 3.4Å; R88-S115 PolarHBondContact NE-OG 3.2Å; P111-S115 PolarHBondContact O-N 2.98Å; E112-S115 PolarHBondContact O-N 2.91Å; Y113-S115 PolarHBondContact O-N 3.49Å; S115-V119 WeakPolarHBondContact O-CG2 3.46Å; S115-V119 PolarHBondContact O-N 3.09Å |
| 116 | L | 97.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.8 | -45.9 | 173.6 | 174.3 | 62 | 0 | 0 | 0 | 111.5 | F85 R88 Y92 E112 Y113 K114 D118 V119 F120 Y152 L155 | F85-L116 HydrophobicContact CD2-CD1 3.77Å; F85-L116 HydrophobicContact CE2-CD1 3.53Å; F85-L116 HydrophobicContact CZ-CD1 4.14Å; R88-L116 HydrophobicContact CB-CB 4.14Å; R88-L116 HydrophobicContact CB-CD1 4.11Å; Y92-L116 HydrophobicContact CD1-CD2 3.95Å; Y92-L116 HydrophobicContact CG-CD2 4.45Å; E112-L116 WeakPolarHBondContact O-CB 3Å; E112-L116 PolarHBondContact O-N 2.65Å; Y113-L116 PolarHBondContact O-N 3.45Å; K114-L116 VanDerWaalsContact C-N 3.28Å; K114-L116 PolarHBondContact O-N 3.39Å; L116-D118 PolarHBondContact O-N 2.8Å; L116-V119 PolarHBondContact O-N 2.9Å; L116-F120 PolarHBondContact O-N 3.19Å; L116-Y152 HydrophobicContact CD2-CD2 4.46Å; L116-Y152 HydrophobicContact CG-CD2 4.21Å; L116-L155 HydrophobicContact CD2-CD1 3.52Å |
| 117 | S | 97.1 | Very high | 94.1 | Very high | 17 Ų | 17 | 47 Ų | 47 | 12% | 0.119 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.1 | -42.4 | 179.7 | -167.3 | 0 | 0 | 0 | 0 | 112.1 | Y113 K114 V119 F120 L121 Y152 | Y113-S117 WeakPolarHBondContact O-CB 3.4Å; Y113-S117 PolarHBondContact O-N 3.31Å; K114-S117 PolarHBondContact O-N 3.44Å; K114-S117 VanDerWaalsContact O-N 3.11Å; S117-V119 VanDerWaalsContact C-N 3.35Å; S117-V119 PolarHBondContact O-N 2.97Å; S117-F120 PolarHBondContact O-N 3.01Å; S117-L121 WeakPolarHBondContact O-CB 3.44Å; S117-L121 VanDerWaalsContact O-CG 3.26Å; S117-L121 WeakPolarHBondContact O-CG 3.38Å; S117-L121 PolarHBondContact O-N 3.08Å; S117-Y152 PolarHBondContact OG-OH 3.38Å |
| 118 | D | 96.3 | Very high | 93.5 | Very high | 72 Ų | 72 | 51.7 Ų | 51.7 | 39% | 0.385 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.5 | -43.3 | 178 | -68.7 | -16.5 | 0 | 0 | 0 | 111.1 | K114 L116 L121 N122 | K114-D118 WeakPolarHBondContact O-CB 3.34Å; K114-D118 VanDerWaalsContact O-CG 3.23Å; K114-D118 PolarHBondContact O-N 2.92Å; L116-D118 PolarHBondContact O-N 2.8Å; D118-L121 PolarHBondContact O-N 2.85Å; D118-N122 PolarHBondContact O-N 3.12Å; D118-N122 PolarHBondContact O-ND2 3.42Å; D118-N122 PolarHBondContact O-OD1 3.27Å |
| 119 | V | 96.4 | Very high | 92.7 | Very high | 17 Ų | 17 | 48.2 Ų | 48.2 | 10% | 0.103 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.1 | -43.1 | 176.3 | 174.2 | 0 | 0 | 0 | 0 | 111.2 | L84 F85 R88 S115 L116 S117 L121 N122 I123 | L84-V119 HydrophobicContact CB-CG1 4.34Å; F85-V119 HydrophobicContact CB-CG1 3.96Å; R88-V119 HydrophobicContact CG-CG2 3.94Å; S115-V119 WeakPolarHBondContact O-CG2 3.46Å; S115-V119 PolarHBondContact O-N 3.09Å; L116-V119 PolarHBondContact O-N 2.9Å; S117-V119 VanDerWaalsContact C-N 3.35Å; S117-V119 PolarHBondContact O-N 2.97Å; V119-L121 PolarHBondContact O-N 3.29Å; V119-N122 PolarHBondContact O-N 2.93Å; V119-I123 HydrophobicContact CG1-CD1 4.09Å; V119-I123 WeakPolarHBondContact O-CG1 3.22Å; V119-I123 PolarHBondContact O-N 3.24Å |
| 120 | F | 96.6 | Very high | 91.8 | Very high | 16 Ų | 16 | 52.8 Ų | 52.8 | 7% | 0.07 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.3 | -39.7 | 177.4 | -176 | -92.5 | 0 | 0 | 0 | 112.4 | F85 L116 S117 N122 I123 S124 L140 V148 F149 Y152 | F85-F120 HydrophobicContact CD2-CD2 4.48Å; F85-F120 HydrophobicContact CE2-CB 4.36Å; F85-F120 AromaticContact CE2-CD2 3.94Å; F85-F120 HydrophobicContact CE2-CD2 3.94Å; L116-F120 PolarHBondContact O-N 3.19Å; S117-F120 PolarHBondContact O-N 3.01Å; F120-N122 VanDerWaalsContact C-N 3.32Å; F120-N122 PolarHBondContact O-N 3.46Å; F120-I123 PolarHBondContact O-N 2.93Å; F120-S124 WeakPolarHBondContact O-CB 3.07Å; F120-S124 PolarHBondContact O-N 2.87Å; F120-S124 PolarHBondContact O-OG 3.32Å; F120-L140 HydrophobicContact CE2-CD1 4.46Å; F120-L140 HydrophobicContact CE2-CD2 3.87Å; F120-L140 HydrophobicContact CZ-CD1 4.34Å; F120-L140 HydrophobicContact CZ-CD2 4.46Å; F120-V148 HydrophobicContact CD2-CG1 4.44Å; F120-V148 HydrophobicContact CE2-CG1 4.41Å; F120-F149 HydrophobicContact CZ-CD2 4.1Å; F120-Y152 HydrophobicContact CB-CD1 4.48Å; F120-Y152 HydrophobicContact CB-CD2 3.74Å; F120-Y152 HydrophobicContact CB-CE2 3.79Å; F120-Y152 HydrophobicContact CB-CG 4.1Å; F120-Y152 AromaticContact CD1-CD1 3.43Å; F120-Y152 HydrophobicContact CD1-CD1 3.43Å; F120-Y152 VanDerWaalsContact CD1-CD1 3.43Å; F120-Y152 HydrophobicContact CD1-CD2 4.21Å; F120-Y152 AromaticContact CD1-CE1 3.32Å; F120-Y152 HydrophobicContact CD1-CE1 3.32Å; F120-Y152 HydrophobicContact CD1-CE2 4.14Å; F120-Y152 AromaticContact CD1-CG 3.87Å; F120-Y152 HydrophobicContact CD1-CG 3.87Å; F120-Y152 AromaticContact CD1-CZ 3.69Å; F120-Y152 AromaticContact CD2-CD1 3.78Å; F120-Y152 HydrophobicContact CD2-CD1 3.78Å; F120-Y152 AromaticContact CD2-CD2 4Å; F120-Y152 HydrophobicContact CD2-CD2 4Å; F120-Y152 HydrophobicContact CD2-CE1 4.47Å; F120-Y152 AromaticContact CD2-CG 3.49Å; F120-Y152 HydrophobicContact CD2-CG 3.49Å; F120-Y152 VanDerWaalsContact CD2-CG 3.49Å; F120-Y152 AromaticContact CE1-CD1 3.4Å; F120-Y152 HydrophobicContact CE1-CD1 3.4Å; F120-Y152 AromaticContact CE1-CE1 3.51Å; F120-Y152 HydrophobicContact CE1-CE1 3.51Å; F120-Y152 HydrophobicContact CE1-CG 4.15Å; F120-Y152 AromaticContact CE2-CD1 3.74Å; F120-Y152 HydrophobicContact CE2-CD1 3.74Å; F120-Y152 AromaticContact CE2-CG 3.79Å; F120-Y152 HydrophobicContact CE2-CG 3.79Å; F120-Y152 AromaticContact CG-CD1 3.61Å; F120-Y152 HydrophobicContact CG-CD1 3.61Å; F120-Y152 AromaticContact CG-CD2 3.71Å; F120-Y152 HydrophobicContact CG-CD2 3.71Å; F120-Y152 AromaticContact CG-CE1 3.85Å; F120-Y152 HydrophobicContact CG-CE1 3.85Å; F120-Y152 AromaticContact CG-CE2 3.95Å; F120-Y152 HydrophobicContact CG-CE2 3.95Å; F120-Y152 AromaticContact CG-CG 3.52Å; F120-Y152 HydrophobicContact CG-CG 3.52Å; F120-Y152 AromaticContact CZ-CD1 3.55Å; F120-Y152 HydrophobicContact CZ-CD1 3.55Å; F120-Y152 HydrophobicContact CZ-CE1 4.15Å; F120-Y152 HydrophobicContact CZ-CG 4.1Å |
| 121 | L | 95 | Very high | 90.8 | Very high | 92 Ų | 92 | 56.1 Ų | 56.1 | 48% | 0.482 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.3 | -40.1 | 174.5 | -73.6 | 172.7 | 0 | 0 | 0 | 111.5 | S117 D118 V119 I123 S124 S125 | S117-L121 WeakPolarHBondContact O-CB 3.44Å; S117-L121 VanDerWaalsContact O-CG 3.26Å; S117-L121 WeakPolarHBondContact O-CG 3.38Å; S117-L121 PolarHBondContact O-N 3.08Å; D118-L121 PolarHBondContact O-N 2.85Å; V119-L121 PolarHBondContact O-N 3.29Å; L121-I123 PolarHBondContact O-N 3.1Å; L121-S124 WeakPolarHBondContact CA-OG 3.46Å; L121-S124 PolarHBondContact O-N 3.34Å; L121-S124 PolarHBondContact O-OG 3.36Å; L121-S125 VanDerWaalsContact O-CB 3.32Å; L121-S125 WeakPolarHBondContact O-CB 3.36Å; L121-S125 PolarHBondContact O-N 3.17Å |
| 122 | N | 93.8 | Very high | 90.1 | Very high | 88 Ų | 88 | 59.8 Ų | 59.8 | 47% | 0.471 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.1 | -40.2 | 175 | -68.6 | -15.5 | 0 | 0 | 0 | 112.4 | M81 D118 V119 F120 | M81-N122 HydrophobicContact CE-CB 4.32Å; D118-N122 PolarHBondContact O-N 3.12Å; D118-N122 PolarHBondContact O-ND2 3.42Å; D118-N122 PolarHBondContact O-OD1 3.27Å; V119-N122 PolarHBondContact O-N 2.93Å; F120-N122 VanDerWaalsContact C-N 3.32Å; F120-N122 PolarHBondContact O-N 3.46Å |
| 123 | I | 93.4 | Very high | 89.4 | Confident | 2 Ų | 2 | 59.1 Ų | 59.1 | 1% | 0.01 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -67.4 | -41.2 | 176.3 | -68.3 | 167.4 | 0 | 0 | 0 | 111.6 | M81 F85 V119 F120 L121 S125 C135 R136 I139 L140 | M81-I123 HydrophobicContact CB-CD1 4.25Å; M81-I123 HydrophobicContact CB-CG1 3.92Å; M81-I123 HydrophobicContact CG-CG1 4.49Å; F85-I123 HydrophobicContact CB-CD1 3.96Å; F85-I123 HydrophobicContact CD2-CD1 4.47Å; F85-I123 HydrophobicContact CG-CD1 4.48Å; V119-I123 HydrophobicContact CG1-CD1 4.09Å; V119-I123 WeakPolarHBondContact O-CG1 3.22Å; V119-I123 PolarHBondContact O-N 3.24Å; F120-I123 PolarHBondContact O-N 2.93Å; L121-I123 PolarHBondContact O-N 3.1Å; I123-S125 VanDerWaalsContact C-N 3.33Å; I123-C135 HydrophobicContact CG2-CB 4.48Å; I123-R136 WeakPolarHBondContact O-CA 3.29Å; I123-R136 PolarHBondContact O-N 2.91Å; I123-I139 HydrophobicContact CG2-CB 4.12Å; I123-I139 HydrophobicContact CG2-CD1 4.07Å; I123-I139 HydrophobicContact CG2-CG2 4.19Å; I123-L140 HydrophobicContact CG2-CD1 4.16Å; I123-L140 HydrophobicContact CG2-CD2 4.02Å; I123-L140 HydrophobicContact CG2-CG 3.97Å |
| 124 | S | 93 | Very high | 88.9 | Confident | 30 Ų | 30 | 60.3 Ų | 60.3 | 21% | 0.21 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -82.9 | -10 | -175.8 | 58 | 0 | 0 | 0 | 0 | 114.1 | F120 L121 R136 | F120-S124 WeakPolarHBondContact O-CB 3.07Å; F120-S124 PolarHBondContact O-N 2.87Å; F120-S124 PolarHBondContact O-OG 3.32Å; L121-S124 WeakPolarHBondContact CA-OG 3.46Å; L121-S124 PolarHBondContact O-N 3.34Å; L121-S124 PolarHBondContact O-OG 3.36Å; S124-R136 WeakPolarHBondContact O-CD 3.38Å |
| 125 | S | 88.5 | Confident | 88.6 | Confident | 33 Ų | 33 | 57.5 Ų | 57.5 | 23% | 0.231 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -63.6 | 146.7 | 176.5 | -175.8 | 0 | 0 | 0 | 0 | 111.8 | L121 I123 Q127 | L121-S125 VanDerWaalsContact O-CB 3.32Å; L121-S125 WeakPolarHBondContact O-CB 3.36Å; L121-S125 PolarHBondContact O-N 3.17Å; I123-S125 VanDerWaalsContact C-N 3.33Å; S125-Q127 PolarHBondContact O-N 2.94Å; S125-Q127 WeakPolarHBondContact OG-CB 3.37Å; S125-Q127 WeakPolarHBondContact OG-CG 3.45Å; S125-Q127 PolarHBondContact OG-N 2.99Å; S125-Q127 VanDerWaalsContact OG-N 3.16Å |
| 126 | D | 82.6 | Confident | 88.3 | Confident | 121 Ų | 121 | 59.4 Ų | 59.4 | 65% | 0.647 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -79.8 | 1.5 | 171.1 | -62.2 | -41.7 | 0 | 0 | 0 | 112 | M128 R136 | D126-M128 PolarHBondContact O-N 3.38Å; D126-R136 WeakPolarHBondContact OD1-CD 3.4Å; D126-R136 IonicContact OD1-CZ 3.67Å; D126-R136 IonicContact OD1-NE 2.93Å; D126-R136 IonicContact OD1-NH1 2.76Å; D126-R136 PolarHBondContact OD1-NH1 3.14Å; D126-R136 IonicContact OD2-NH1 3.8Å |
| 127 | Q | 79.4 | Confident | 87.9 | Confident | 152 Ų | 152 | 63.5 Ų | 63.5 | 71% | 0.71 | 36% | 0.362 | S | S | * | . | trans | -66.3 | 130.6 | 174.3 | -71.7 | 178.8 | -13.3 | 0 | 0 | 110.9 | S125 | S125-Q127 PolarHBondContact O-N 2.94Å; S125-Q127 WeakPolarHBondContact OG-CB 3.37Å; S125-Q127 WeakPolarHBondContact OG-CG 3.45Å; S125-Q127 PolarHBondContact OG-N 2.99Å; S125-Q127 VanDerWaalsContact OG-N 3.16Å | ||
| 128 | M | 79.8 | Confident | 87.5 | Confident | 131 Ų | 131 | 64.3 Ų | 64.3 | 65% | 0.645 | 37% | 0.368 | S | S | * | . | trans | -77.9 | 129.5 | 175.4 | -69.9 | 169.8 | 169.3 | 0 | 0 | 110.1 | D126 N132 | D126-M128 PolarHBondContact O-N 3.38Å; M128-N132 HydrophobicContact SD-CB 4.35Å | ||
| 129 | G | 78.4 | Confident | 87.2 | Confident | 12 Ų | 12 | 61.3 Ų | 61.3 | 12% | 0.124 | 35% | 0.352 | C | S | . | . | trans | -77.4 | -172.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | G131 N132 V133 | G129-G131 PolarHBondContact O-N 3.36Å; G129-N132 PolarHBondContact O-N 3.46Å; G129-N132 VanDerWaalsContact O-N 3.12Å; G129-V133 PolarHBondContact N-O 3.43Å | ||
| 130 | P | 77.4 | Confident | 87 | Confident | 96 Ų | 96 | 61 Ų | 61 | 62% | 0.623 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.3 | 131.6 | 171.9 | -22.1 | 32.6 | 0 | 0 | 0 | 110.8 | Y77 | Y77-P130 HydrophobicContact CD2-CG 4.15Å; Y77-P130 HydrophobicContact CE2-CG 4.44Å |
| 131 | G | 76.8 | Confident | 86.5 | Confident | 70 Ų | 70 | 66.5 Ų | 66.5 | 72% | 0.722 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.7 | 17.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | G129 V133 | G129-G131 PolarHBondContact O-N 3.36Å; G131-V133 PolarHBondContact O-N 2.9Å |
| 132 | N | 81.4 | Confident | 86.1 | Confident | 131 Ų | 131 | 66 Ų | 66 | 70% | 0.701 | 37% | 0.374 | S | S | * | . | S | Bend | trans | 59.6 | 28.1 | -179.4 | -66.1 | -28.2 | 0 | 0 | 0 | 114.1 | M128 G129 | M128-N132 HydrophobicContact SD-CB 4.35Å; G129-N132 PolarHBondContact O-N 3.46Å; G129-N132 VanDerWaalsContact O-N 3.12Å |
| 133 | V | 82.1 | Confident | 85.8 | Confident | 50 Ų | 50 | 65.5 Ų | 65.5 | 30% | 0.303 | 37% | 0.371 | S | S | . | . | trans | -98.2 | 131.5 | -179.6 | -176 | 0 | 0 | 0 | 0 | 110.5 | G129 G131 | G129-V133 PolarHBondContact N-O 3.43Å; G131-V133 PolarHBondContact O-N 2.9Å | ||
| 134 | S | 87.4 | Confident | 85.7 | Confident | 41 Ų | 41 | 77.2 Ų | 77.2 | 29% | 0.287 | 42% | 0.415 | S | S | . | . | trans | -98.2 | 135.1 | 168.1 | 178 | 0 | 0 | 0 | 0 | 110.3 | R136 | S134-R136 PolarHBondContact OG-N 3.19Š| ||
| 135 | C | 90.2 | Very high | 85.7 | Confident | 5 Ų | 5 | 80.8 Ų | 80.8 | 3% | 0.034 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -88.9 | -8 | 179.3 | -57.6 | 0 | 0 | 0 | 0 | 113.9 | Y77 C78 I123 S138 I139 | Y77-C135 WeakPolarHBondContact CD1-SG 3.41Å; Y77-C135 WeakPolarHBondContact CE1-SG 3.38Å; C78-C135 WeakPolarHBondContact CA-SG 3.33Å; C78-C135 HydrophobicContact CB-CB 3.89Å; C78-C135 WeakPolarHBondContact CB-SG 3.49Å; C78-C135 WeakPolarHBondContact SG-CA 3.39Å; C78-C135 WeakPolarHBondContact SG-CB 3.31Å; C78-C135 CovalentContact SG-SG 2.04Å; C78-C135 PolarHBondContact SG-SG 3.27Å; I123-C135 HydrophobicContact CG2-CB 4.48Å; C135-S138 VanDerWaalsContact CA-OG 3.31Å; C135-S138 WeakPolarHBondContact CA-OG 3.49Å; C135-S138 PolarHBondContact O-OG 3.25Å; C135-I139 HydrophobicContact CB-CD1 3.76Å; C135-I139 HydrophobicContact CB-CG1 4.19Å; C135-I139 VanDerWaalsContact O-CB 3.28Å; C135-I139 WeakPolarHBondContact O-CB 3.37Å; C135-I139 WeakPolarHBondContact O-CG1 3.36Å; C135-I139 PolarHBondContact O-N 3.4Å |
| 136 | R | 91.5 | Very high | 85.9 | Confident | 71 Ų | 71 | 82.6 Ų | 82.6 | 27% | 0.268 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -61.4 | -56.1 | -171.5 | -177.6 | -176.6 | -176.5 | -162 | 1.4 | 111.6 | I123 S124 D126 S134 L140 R141 | I123-R136 WeakPolarHBondContact O-CA 3.29Å; I123-R136 PolarHBondContact O-N 2.91Å; S124-R136 WeakPolarHBondContact O-CD 3.38Å; D126-R136 WeakPolarHBondContact OD1-CD 3.4Å; D126-R136 IonicContact OD1-CZ 3.67Å; D126-R136 IonicContact OD1-NE 2.93Å; D126-R136 IonicContact OD1-NH1 2.76Å; D126-R136 PolarHBondContact OD1-NH1 3.14Å; D126-R136 IonicContact OD2-NH1 3.8Å; S134-R136 PolarHBondContact OG-N 3.19Å; R136-L140 HydrophobicContact CG-CD1 4.37Å; R136-L140 WeakPolarHBondContact O-CA 3.46Å; R136-L140 WeakPolarHBondContact O-CB 3.19Å; R136-L140 WeakPolarHBondContact O-CG 3.48Å; R136-L140 PolarHBondContact O-N 3.07Å; R136-R141 VanDerWaalsContact NH2-NH2 3.2Å |
| 137 | D | 88.6 | Confident | 86.5 | Confident | 86 Ų | 86 | 81 Ų | 81 | 46% | 0.46 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -78.1 | -32.5 | -177.2 | -64 | -38.1 | 0 | 0 | 0 | 111.4 | R141 S142 | D137-R141 CarbonylContact O-C 3.4Å; D137-R141 PolarHBondContact O-N 3.08Å; D137-R141 WeakPolarHBondContact OD1-CD 3.41Å; D137-R141 IonicContact OD1-CZ 2.73Å; D137-R141 IonicContact OD1-NH1 3.87Å; D137-R141 PolarHBondContact OD1-NH1 3.34Å; D137-S142 PolarHBondContact O-N 3.11Å; D137-S142 PolarHBondContact O-OG 3.15Å |
| 138 | S | 88.1 | Confident | 87.3 | Confident | 34 Ų | 34 | 74.4 Ų | 74.4 | 24% | 0.238 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -69.1 | -31.3 | 178.7 | 62.6 | 0 | 0 | 0 | 0 | 114 | C135 S142 | C135-S138 VanDerWaalsContact CA-OG 3.31Å; C135-S138 WeakPolarHBondContact CA-OG 3.49Å; C135-S138 PolarHBondContact O-OG 3.25Å; S138-S142 VanDerWaalsContact C-OG 3.25Å; S138-S142 WeakPolarHBondContact CA-OG 3.45Å; S138-S142 VanDerWaalsContact O-CB 3.23Å; S138-S142 WeakPolarHBondContact O-CB 3.36Å; S138-S142 PolarHBondContact O-OG 2.97Å |
| 139 | I | 90.4 | Very high | 88 | Confident | 9 Ų | 9 | 73.3 Ų | 73.3 | 5% | 0.046 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -102.2 | -42.9 | 179.8 | -59.5 | -178.6 | 0 | 0 | 0 | 112.2 | C78 L82 I123 C135 V148 | C78-I139 HydrophobicContact CB-CD1 4.01Å; C78-I139 HydrophobicContact CB-CG1 4.34Å; C78-I139 WeakPolarHBondContact O-CD1 3.21Å; L82-I139 HydrophobicContact CB-CD1 4.34Å; L82-I139 HydrophobicContact CD1-CG2 4.14Å; I123-I139 HydrophobicContact CG2-CB 4.12Å; I123-I139 HydrophobicContact CG2-CD1 4.07Å; I123-I139 HydrophobicContact CG2-CG2 4.19Å; C135-I139 HydrophobicContact CB-CD1 3.76Å; C135-I139 HydrophobicContact CB-CG1 4.19Å; C135-I139 VanDerWaalsContact O-CB 3.28Å; C135-I139 WeakPolarHBondContact O-CB 3.37Å; C135-I139 WeakPolarHBondContact O-CG1 3.36Å; C135-I139 PolarHBondContact O-N 3.4Å; I139-V148 HydrophobicContact CG2-CB 4.16Å; I139-V148 HydrophobicContact CG2-CG1 4.22Å; I139-V148 HydrophobicContact CG2-CG2 3.85Å |
| 140 | L | 91.7 | Very high | 88.9 | Confident | 10 Ų | 10 | 76.6 Ų | 76.6 | 5% | 0.052 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -93.5 | -18.5 | -169 | -52.5 | 178.1 | 0 | 0 | 0 | 113.6 | F120 I123 R136 M146 V148 | F120-L140 HydrophobicContact CE2-CD1 4.46Å; F120-L140 HydrophobicContact CE2-CD2 3.87Å; F120-L140 HydrophobicContact CZ-CD1 4.34Å; F120-L140 HydrophobicContact CZ-CD2 4.46Å; I123-L140 HydrophobicContact CG2-CD1 4.16Å; I123-L140 HydrophobicContact CG2-CD2 4.02Å; I123-L140 HydrophobicContact CG2-CG 3.97Å; R136-L140 HydrophobicContact CG-CD1 4.37Å; R136-L140 WeakPolarHBondContact O-CA 3.46Å; R136-L140 WeakPolarHBondContact O-CB 3.19Å; R136-L140 WeakPolarHBondContact O-CG 3.48Å; R136-L140 PolarHBondContact O-N 3.07Å; L140-M146 WeakPolarHBondContact O-CG 3.2Å; L140-V148 HydrophobicContact CD2-CB 4.02Å; L140-V148 HydrophobicContact CD2-CG1 3.67Å |
| 141 | R | 87.1 | Confident | 89.8 | Confident | 132 Ų | 132 | 74.2 Ų | 74.2 | 50% | 0.498 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -135.1 | 8.6 | -172.4 | -61.5 | -174.6 | -178.9 | 144.4 | -9 | 115.1 | R136 D137 D143 | R136-R141 VanDerWaalsContact NH2-NH2 3.2Å; D137-R141 CarbonylContact O-C 3.4Å; D137-R141 PolarHBondContact O-N 3.08Å; D137-R141 WeakPolarHBondContact OD1-CD 3.41Å; D137-R141 IonicContact OD1-CZ 2.73Å; D137-R141 IonicContact OD1-NH1 3.87Å; D137-R141 PolarHBondContact OD1-NH1 3.34Å; R141-D143 VanDerWaalsContact C-N 3.31Å; R141-D143 PolarHBondContact O-N 3.1Å |
| 142 | S | 85.7 | Confident | 90.8 | Very high | 83 Ų | 83 | 72.3 Ų | 72.3 | 58% | 0.58 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -79.5 | -13.7 | -176.4 | -75.9 | 0 | 0 | 0 | 0 | 114.5 | D137 S138 | D137-S142 PolarHBondContact O-N 3.11Å; D137-S142 PolarHBondContact O-OG 3.15Å; S138-S142 VanDerWaalsContact C-OG 3.25Å; S138-S142 WeakPolarHBondContact CA-OG 3.45Å; S138-S142 VanDerWaalsContact O-CB 3.23Å; S138-S142 WeakPolarHBondContact O-CB 3.36Å; S138-S142 PolarHBondContact O-OG 2.97Å |
| 143 | D | 87.5 | Confident | 91.6 | Very high | 76 Ų | 76 | 67.3 Ų | 67.3 | 41% | 0.406 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -136.2 | 163.6 | 178.7 | 72.1 | 75.1 | 0 | 0 | 0 | 111.5 | R141 L145 M146 | R141-D143 VanDerWaalsContact C-N 3.31Å; R141-D143 PolarHBondContact O-N 3.1Å; D143-L145 VanDerWaalsContact C-N 3.3Å; D143-L145 PolarHBondContact O-N 2.93Å; D143-L145 VanDerWaalsContact OD1-CA 3.25Å; D143-L145 WeakPolarHBondContact OD1-CA 3.34Å; D143-L145 VanDerWaalsContact OD1-CB 3.25Å; D143-L145 WeakPolarHBondContact OD1-CB 3.38Å; D143-L145 PolarHBondContact OD1-N 2.88Å; D143-M146 WeakPolarHBondContact O-CG 3.42Å; D143-M146 PolarHBondContact OD1-N 3.42Å |
| 144 | R | 91.6 | Very high | 92.3 | Very high | 248 Ų | 248 | 69.8 Ų | 69.8 | 94% | 0.936 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -69.9 | -26.7 | -179.2 | -170.3 | -176.6 | 71.6 | -179.9 | -0 | 112.9 | ||
| 145 | L | 93.3 | Very high | 92.8 | Very high | 106 Ų | 106 | 68.2 Ų | 68.2 | 56% | 0.555 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -77.7 | -34.8 | -177.6 | 176.1 | 63.5 | 0 | 0 | 0 | 111.1 | D143 L147 L150 | D143-L145 VanDerWaalsContact C-N 3.3Å; D143-L145 PolarHBondContact O-N 2.93Å; D143-L145 VanDerWaalsContact OD1-CA 3.25Å; D143-L145 WeakPolarHBondContact OD1-CA 3.34Å; D143-L145 VanDerWaalsContact OD1-CB 3.25Å; D143-L145 WeakPolarHBondContact OD1-CB 3.38Å; D143-L145 PolarHBondContact OD1-N 2.88Å; L145-L147 VanDerWaalsContact C-N 3.3Å; L145-L147 HydrophobicContact CD2-CB 4.1Å; L145-L147 HydrophobicContact CD2-CD1 4.33Å; L145-L147 HydrophobicContact CG-CB 4.17Å; L145-L147 PolarHBondContact O-N 3.48Å; L145-L150 HydrophobicContact CD1-CD1 4.07Å; L145-L150 WeakPolarHBondContact O-CD1 3.37Å |
| 146 | M | 94 | Very high | 93.2 | Very high | 71 Ų | 71 | 68.8 Ų | 68.8 | 35% | 0.35 | 34% | 0.342 | S | S | . | . | trans | 50.7 | 49.6 | -178.2 | -56.3 | -178.9 | 178.6 | 0 | 0 | 111.6 | L140 D143 V148 F149 L150 | L140-M146 WeakPolarHBondContact O-CG 3.2Å; D143-M146 WeakPolarHBondContact O-CG 3.42Å; D143-M146 PolarHBondContact OD1-N 3.42Å; M146-V148 PolarHBondContact O-N 3.28Å; M146-F149 HydrophobicContact CB-CB 4.2Å; M146-F149 WeakPolarHBondContact O-CB 3.24Å; M146-F149 PolarHBondContact O-N 2.86Å; M146-F149 VanDerWaalsContact O-N 3.09Å; M146-L150 PolarHBondContact O-N 3.47Å | ||
| 147 | L | 94.1 | Very high | 93.5 | Very high | 86 Ų | 86 | 68.6 Ų | 68.6 | 45% | 0.45 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -56.6 | -46.4 | -165.7 | -178.6 | 61.5 | 0 | 0 | 0 | 113.2 | L145 F149 L150 L151 | L145-L147 VanDerWaalsContact C-N 3.3Å; L145-L147 HydrophobicContact CD2-CB 4.1Å; L145-L147 HydrophobicContact CD2-CD1 4.33Å; L145-L147 HydrophobicContact CG-CB 4.17Å; L145-L147 PolarHBondContact O-N 3.48Å; L147-F149 VanDerWaalsContact C-N 3.3Å; L147-F149 PolarHBondContact O-N 2.92Å; L147-L150 PolarHBondContact O-N 3.28Å; L147-L151 HydrophobicContact CD1-CD1 3.99Å; L147-L151 HydrophobicContact CD1-CD2 4.33Å; L147-L151 HydrophobicContact CD1-CG 3.9Å; L147-L151 HydrophobicContact CD2-CD1 4.48Å; L147-L151 HydrophobicContact CG-CD1 3.85Å; L147-L151 HydrophobicContact CG-CG 4.18Å; L147-L151 WeakPolarHBondContact O-CB 3.45Å; L147-L151 VanDerWaalsContact O-CG 3.26Å; L147-L151 WeakPolarHBondContact O-CG 2.96Å; L147-L151 PolarHBondContact O-N 2.99Å |
| 148 | V | 95.4 | Very high | 93.9 | Very high | 14 Ų | 14 | 68 Ų | 68 | 9% | 0.085 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -59.8 | -42.3 | -180 | 175.6 | 0 | 0 | 0 | 0 | 111.2 | L82 F85 F120 I139 L140 M146 Y152 | L82-V148 HydrophobicContact CD1-CG2 3.51Å; F85-V148 HydrophobicContact CD1-CG1 3.98Å; F85-V148 HydrophobicContact CD2-CG1 4.2Å; F85-V148 HydrophobicContact CE1-CB 4.44Å; F85-V148 HydrophobicContact CE1-CG1 3.81Å; F85-V148 HydrophobicContact CE2-CG1 4.02Å; F85-V148 HydrophobicContact CG-CG1 4.18Å; F85-V148 HydrophobicContact CZ-CG1 3.82Å; F120-V148 HydrophobicContact CD2-CG1 4.44Å; F120-V148 HydrophobicContact CE2-CG1 4.41Å; I139-V148 HydrophobicContact CG2-CB 4.16Å; I139-V148 HydrophobicContact CG2-CG1 4.22Å; I139-V148 HydrophobicContact CG2-CG2 3.85Å; L140-V148 HydrophobicContact CD2-CB 4.02Å; L140-V148 HydrophobicContact CD2-CG1 3.67Å; M146-V148 PolarHBondContact O-N 3.28Å; V148-Y152 WeakPolarHBondContact O-CB 3.44Å; V148-Y152 PolarHBondContact O-N 2.92Å |
| 149 | F | 95.3 | Very high | 94.3 | Very high | 109 Ų | 109 | 66.9 Ų | 66.9 | 48% | 0.478 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.3 | -46 | 177 | 179.9 | -93.2 | 0 | 0 | 0 | 111.7 | F120 M146 L147 G153 | F120-F149 HydrophobicContact CZ-CD2 4.1Å; M146-F149 HydrophobicContact CB-CB 4.2Å; M146-F149 WeakPolarHBondContact O-CB 3.24Å; M146-F149 PolarHBondContact O-N 2.86Å; M146-F149 VanDerWaalsContact O-N 3.09Å; L147-F149 VanDerWaalsContact C-N 3.3Å; L147-F149 PolarHBondContact O-N 2.92Å; F149-G153 PolarHBondContact O-N 3.46Å |
| 150 | L | 96.4 | Very high | 94.7 | Very high | 80 Ų | 80 | 72.3 Ų | 72.3 | 42% | 0.419 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.3 | -45.9 | 177.8 | -70.7 | 179.7 | 0 | 0 | 0 | 112.3 | L145 M146 L147 G153 N154 | L145-L150 HydrophobicContact CD1-CD1 4.07Å; L145-L150 WeakPolarHBondContact O-CD1 3.37Å; M146-L150 PolarHBondContact O-N 3.47Å; L147-L150 PolarHBondContact O-N 3.28Å; L150-G153 PolarHBondContact O-N 2.79Å; L150-N154 VanDerWaalsContact O-CG 3.28Å; L150-N154 PolarHBondContact O-N 2.95Å; L150-N154 PolarHBondContact O-ND2 2.9Å |
| 151 | L | 97 | Very high | 94.9 | Very high | 47 Ų | 47 | 80.2 Ų | 80.2 | 25% | 0.246 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -62.3 | -48.4 | -179.5 | -73 | 179.9 | 0 | 0 | 0 | 111.6 | Y89 L147 L155 | Y89-L151 HydrophobicContact CD2-CB 4.21Å; Y89-L151 HydrophobicContact CE2-CB 3.67Å; Y89-L151 HydrophobicContact CE2-CD1 4.36Å; Y89-L151 HydrophobicContact CE2-CD2 4.15Å; Y89-L151 HydrophobicContact CE2-CG 4.27Å; L147-L151 HydrophobicContact CD1-CD1 3.99Å; L147-L151 HydrophobicContact CD1-CD2 4.33Å; L147-L151 HydrophobicContact CD1-CG 3.9Å; L147-L151 HydrophobicContact CD2-CD1 4.48Å; L147-L151 HydrophobicContact CG-CD1 3.85Å; L147-L151 HydrophobicContact CG-CG 4.18Å; L147-L151 WeakPolarHBondContact O-CB 3.45Å; L147-L151 VanDerWaalsContact O-CG 3.26Å; L147-L151 WeakPolarHBondContact O-CG 2.96Å; L147-L151 PolarHBondContact O-N 2.99Å; L151-L155 WeakPolarHBondContact O-CG 2.92Å; L151-L155 PolarHBondContact O-N 3.2Å |
| 152 | Y | 97.9 | Very high | 95.4 | Very high | 30 Ų | 30 | 74.9 Ų | 74.9 | 12% | 0.118 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -63.5 | -45.9 | 175.3 | 177 | -100.6 | 0 | 0 | 0 | 111.6 | F85 L116 S117 F120 V148 N154 L155 A156 | F85-Y152 HydrophobicContact CE2-CD2 4.46Å; L116-Y152 HydrophobicContact CD2-CD2 4.46Å; L116-Y152 HydrophobicContact CG-CD2 4.21Å; S117-Y152 PolarHBondContact OG-OH 3.38Å; F120-Y152 HydrophobicContact CB-CD1 4.48Å; F120-Y152 HydrophobicContact CB-CD2 3.74Å; F120-Y152 HydrophobicContact CB-CE2 3.79Å; F120-Y152 HydrophobicContact CB-CG 4.1Å; F120-Y152 AromaticContact CD1-CD1 3.43Å; F120-Y152 HydrophobicContact CD1-CD1 3.43Å; F120-Y152 VanDerWaalsContact CD1-CD1 3.43Å; F120-Y152 HydrophobicContact CD1-CD2 4.21Å; F120-Y152 AromaticContact CD1-CE1 3.32Å; F120-Y152 HydrophobicContact CD1-CE1 3.32Å; F120-Y152 HydrophobicContact CD1-CE2 4.14Å; F120-Y152 AromaticContact CD1-CG 3.87Å; F120-Y152 HydrophobicContact CD1-CG 3.87Å; F120-Y152 AromaticContact CD1-CZ 3.69Å; F120-Y152 AromaticContact CD2-CD1 3.78Å; F120-Y152 HydrophobicContact CD2-CD1 3.78Å; F120-Y152 AromaticContact CD2-CD2 4Å; F120-Y152 HydrophobicContact CD2-CD2 4Å; F120-Y152 HydrophobicContact CD2-CE1 4.47Å; F120-Y152 AromaticContact CD2-CG 3.49Å; F120-Y152 HydrophobicContact CD2-CG 3.49Å; F120-Y152 VanDerWaalsContact CD2-CG 3.49Å; F120-Y152 AromaticContact CE1-CD1 3.4Å; F120-Y152 HydrophobicContact CE1-CD1 3.4Å; F120-Y152 AromaticContact CE1-CE1 3.51Å; F120-Y152 HydrophobicContact CE1-CE1 3.51Å; F120-Y152 HydrophobicContact CE1-CG 4.15Å; F120-Y152 AromaticContact CE2-CD1 3.74Å; F120-Y152 HydrophobicContact CE2-CD1 3.74Å; F120-Y152 AromaticContact CE2-CG 3.79Å; F120-Y152 HydrophobicContact CE2-CG 3.79Å; F120-Y152 AromaticContact CG-CD1 3.61Å; F120-Y152 HydrophobicContact CG-CD1 3.61Å; F120-Y152 AromaticContact CG-CD2 3.71Å; F120-Y152 HydrophobicContact CG-CD2 3.71Å; F120-Y152 AromaticContact CG-CE1 3.85Å; F120-Y152 HydrophobicContact CG-CE1 3.85Å; F120-Y152 AromaticContact CG-CE2 3.95Å; F120-Y152 HydrophobicContact CG-CE2 3.95Å; F120-Y152 AromaticContact CG-CG 3.52Å; F120-Y152 HydrophobicContact CG-CG 3.52Å; F120-Y152 AromaticContact CZ-CD1 3.55Å; F120-Y152 HydrophobicContact CZ-CD1 3.55Å; F120-Y152 HydrophobicContact CZ-CE1 4.15Å; F120-Y152 HydrophobicContact CZ-CG 4.1Å; V148-Y152 WeakPolarHBondContact O-CB 3.44Å; V148-Y152 PolarHBondContact O-N 2.92Å; Y152-N154 VanDerWaalsContact C-N 3.28Å; Y152-N154 PolarHBondContact O-N 3.27Å; Y152-L155 PolarHBondContact O-N 3.43Å; Y152-L155 VanDerWaalsContact O-N 3.09Å; Y152-A156 HydrophobicContact CE1-CB 4.13Å; Y152-A156 WeakPolarHBondContact O-CB 3.48Å; Y152-A156 PolarHBondContact O-N 3.47Å |
| 153 | G | 97.9 | Very high | 95.9 | Very high | 25 Ų | 25 | 73.8 Ų | 73.8 | 26% | 0.258 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -57.8 | -38.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | F149 L150 T157 | F149-G153 PolarHBondContact O-N 3.46Å; L150-G153 PolarHBondContact O-N 2.79Å; G153-T157 WeakPolarHBondContact O-CB 3.37Å; G153-T157 PolarHBondContact O-N 2.7Å; G153-T157 PolarHBondContact O-OG1 2.87Å |
| 154 | N | 97.6 | Very high | 96.4 | Very high | 103 Ų | 103 | 70.3 Ų | 70.3 | 55% | 0.551 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -65.1 | -44.5 | 174.9 | -73 | -21.5 | 0 | 0 | 0 | 112.2 | L150 Y152 T157 I158 | L150-N154 VanDerWaalsContact O-CG 3.28Å; L150-N154 PolarHBondContact O-N 2.95Å; L150-N154 PolarHBondContact O-ND2 2.9Å; Y152-N154 VanDerWaalsContact C-N 3.28Å; Y152-N154 PolarHBondContact O-N 3.27Å; N154-T157 WeakPolarHBondContact O-CB 3.38Å; N154-T157 PolarHBondContact O-N 2.89Å; N154-I158 WeakPolarHBondContact O-CG1 3.22Å; N154-I158 PolarHBondContact O-N 3.43Å |
| 155 | L | 97.6 | Very high | 96.6 | Very high | 8 Ų | 8 | 65.7 Ų | 65.7 | 4% | 0.042 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -69.4 | -40 | 179.2 | -69 | 176.5 | 0 | 0 | 0 | 112.4 | Y89 Y92 V93 L96 L116 L151 Y152 T157 I158 W159 | Y89-L155 HydrophobicContact CD2-CD1 3.35Å; Y89-L155 HydrophobicContact CE2-CD1 3.17Å; Y89-L155 HydrophobicContact CE2-CG 4Å; Y89-L155 HydrophobicContact CG-CD1 4.35Å; Y92-L155 HydrophobicContact CD1-CB 4.29Å; Y92-L155 HydrophobicContact CD1-CD1 3.85Å; Y92-L155 HydrophobicContact CD1-CD2 3.99Å; Y92-L155 HydrophobicContact CD1-CG 4.26Å; Y92-L155 HydrophobicContact CE1-CB 3.98Å; Y92-L155 HydrophobicContact CE1-CD1 4.36Å; Y92-L155 HydrophobicContact CE1-CD2 3.93Å; Y92-L155 HydrophobicContact CE1-CG 4.3Å; V93-L155 HydrophobicContact CG2-CD1 4.4Å; V93-L155 HydrophobicContact CG2-CD2 4.23Å; L96-L155 HydrophobicContact CD1-CD2 3.93Å; L116-L155 HydrophobicContact CD2-CD1 3.52Å; L151-L155 WeakPolarHBondContact O-CG 2.92Å; L151-L155 PolarHBondContact O-N 3.2Å; Y152-L155 PolarHBondContact O-N 3.43Å; Y152-L155 VanDerWaalsContact O-N 3.09Å; L155-T157 VanDerWaalsContact C-N 3.29Å; L155-T157 PolarHBondContact O-N 3.45Å; L155-I158 HydrophobicContact CD2-CD1 4.24Å; L155-I158 WeakPolarHBondContact O-CB 3.25Å; L155-I158 PolarHBondContact O-N 2.91Å; L155-W159 PolarHBondContact O-N 3.32Å |
| 156 | A | 97.9 | Very high | 96.7 | Very high | 17 Ų | 17 | 64.1 Ų | 64.1 | 14% | 0.14 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.8 | -39.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y152 I158 W159 E160 | Y152-A156 HydrophobicContact CE1-CB 4.13Å; Y152-A156 WeakPolarHBondContact O-CB 3.48Å; Y152-A156 PolarHBondContact O-N 3.47Å; A156-I158 VanDerWaalsContact C-N 3.34Å; A156-I158 PolarHBondContact O-N 2.96Å; A156-W159 WeakPolarHBondContact O-CB 3.38Å; A156-W159 PolarHBondContact O-N 2.01Å; A156-E160 WeakPolarHBondContact O-CG 3.43Å; A156-E160 PolarHBondContact O-N 3.26Å |
| 157 | T | 98.1 | Very high | 96.8 | Very high | 66 Ų | 66 | 60.8 Ų | 60.8 | 41% | 0.405 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.3 | -39.2 | 175.3 | -61.2 | 0 | 0 | 0 | 0 | 112.1 | G153 N154 L155 K161 | G153-T157 WeakPolarHBondContact O-CB 3.37Å; G153-T157 PolarHBondContact O-N 2.7Å; G153-T157 PolarHBondContact O-OG1 2.87Å; N154-T157 WeakPolarHBondContact O-CB 3.38Å; N154-T157 PolarHBondContact O-N 2.89Å; L155-T157 VanDerWaalsContact C-N 3.29Å; L155-T157 PolarHBondContact O-N 3.45Å; T157-K161 HydrophobicContact CG2-CD 3.87Å; T157-K161 HydrophobicContact CG2-CG 4.19Å; T157-K161 VanDerWaalsContact O-CB 3.29Å; T157-K161 WeakPolarHBondContact O-CB 3.48Å; T157-K161 WeakPolarHBondContact O-CG 3.42Å; T157-K161 PolarHBondContact O-N 3.04Å |
| 158 | I | 96.9 | Very high | 96.9 | Very high | 75 Ų | 75 | 57 Ų | 57 | 39% | 0.385 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.8 | -50.9 | 174.3 | -70.3 | 162.7 | 0 | 0 | 0 | 109.5 | N154 L155 A156 E160 K161 S162 | N154-I158 WeakPolarHBondContact O-CG1 3.22Å; N154-I158 PolarHBondContact O-N 3.43Å; L155-I158 HydrophobicContact CD2-CD1 4.24Å; L155-I158 WeakPolarHBondContact O-CB 3.25Å; L155-I158 PolarHBondContact O-N 2.91Å; A156-I158 VanDerWaalsContact C-N 3.34Å; A156-I158 PolarHBondContact O-N 2.96Å; I158-E160 PolarHBondContact O-N 3.1Å; I158-K161 PolarHBondContact O-N 2.9Å; I158-S162 WeakPolarHBondContact O-CB 3.44Å; I158-S162 PolarHBondContact O-N 2.89Å; I158-S162 PolarHBondContact O-OG 3.02Å |
| 159 | W | 97.6 | Very high | 96.9 | Very high | 10 Ų | 10 | 58.3 Ų | 58.3 | 4% | 0.038 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -55.2 | -48.8 | 178.7 | 178.6 | -92.1 | 0 | 0 | 0 | 113.2 | Y113 L155 A156 S162 N163 C164 V168 L172 | Y113-W159 AromaticContact CD1-CD2 3.35Å; Y113-W159 HydrophobicContact CD1-CD2 3.35Å; Y113-W159 AromaticContact CD1-CE2 3.58Å; Y113-W159 AromaticContact CD1-CE3 3.51Å; Y113-W159 HydrophobicContact CD1-CE3 3.51Å; Y113-W159 AromaticContact CD1-CG 3.85Å; Y113-W159 HydrophobicContact CD1-CG 3.85Å; Y113-W159 HydrophobicContact CD1-CH2 4.11Å; Y113-W159 AromaticContact CD1-CZ2 3.97Å; Y113-W159 HydrophobicContact CD1-CZ2 3.97Å; Y113-W159 AromaticContact CD1-CZ3 3.9Å; Y113-W159 HydrophobicContact CD1-CZ3 3.9Å; Y113-W159 HydrophobicContact CD2-CB 4.12Å; Y113-W159 HydrophobicContact CD2-CD2 4.21Å; Y113-W159 HydrophobicContact CD2-CE3 4.11Å; Y113-W159 HydrophobicContact CD2-CG 4.23Å; Y113-W159 HydrophobicContact CE1-CB 4.12Å; Y113-W159 AromaticContact CE1-CD1 3.47Å; Y113-W159 VanDerWaalsContact CE1-CD1 3.47Å; Y113-W159 AromaticContact CE1-CD2 3.38Å; Y113-W159 HydrophobicContact CE1-CD2 3.38Å; Y113-W159 AromaticContact CE1-CE2 3.5Å; Y113-W159 HydrophobicContact CE1-CE3 4.04Å; Y113-W159 AromaticContact CE1-CG 3.38Å; Y113-W159 HydrophobicContact CE1-CG 3.38Å; Y113-W159 HydrophobicContact CE1-CZ2 4.25Å; Y113-W159 AromaticContact CE1-NE1 3.52Å; Y113-W159 HydrophobicContact CE2-CB 3.6Å; Y113-W159 HydrophobicContact CE2-CD2 4.23Å; Y113-W159 AromaticContact CE2-CG 3.81Å; Y113-W159 HydrophobicContact CE2-CG 3.81Å; Y113-W159 AromaticContact CG-CD2 3.79Å; Y113-W159 HydrophobicContact CG-CD2 3.79Å; Y113-W159 AromaticContact CG-CE3 3.55Å; Y113-W159 HydrophobicContact CG-CE3 3.55Å; Y113-W159 HydrophobicContact CG-CG 4.24Å; Y113-W159 HydrophobicContact CG-CZ3 4.03Å; Y113-W159 AromaticContact CZ-CD1 3.57Å; Y113-W159 AromaticContact CZ-CD2 3.83Å; Y113-W159 AromaticContact CZ-CG 3.35Å; L155-W159 PolarHBondContact O-N 3.32Å; A156-W159 WeakPolarHBondContact O-CB 3.38Å; A156-W159 PolarHBondContact O-N 2.01Å; W159-S162 PolarHBondContact O-N 2.92Å; W159-N163 PolarHBondContact O-N 3.24Å; W159-C164 HydrophobicContact CD2-CB 3.71Å; W159-C164 HydrophobicContact CE3-CB 3.66Å; W159-C164 HydrophobicContact CG-CB 4.5Å; W159-C164 HydrophobicContact CH2-CB 3.54Å; W159-C164 HydrophobicContact CZ2-CB 3.58Å; W159-C164 HydrophobicContact CZ3-CB 3.59Å; W159-C164 PolarHBondContact O-N 2.71Å; W159-V168 HydrophobicContact CH2-CG1 4.47Å; W159-V168 HydrophobicContact CH2-CG2 4.03Å; W159-V168 HydrophobicContact CZ2-CG2 4.02Å; W159-L172 HydrophobicContact CH2-CD2 3.97Å; W159-L172 HydrophobicContact CZ2-CD2 3.58Å |
| 160 | E | 97.4 | Very high | 96.7 | Very high | 122 Ų | 122 | 60.3 Ų | 60.3 | 57% | 0.57 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -66.6 | -46.3 | -179.7 | -70.1 | -59.2 | 134.7 | 0 | 0 | 112 | A156 I158 S162 N163 | A156-E160 WeakPolarHBondContact O-CG 3.43Å; A156-E160 PolarHBondContact O-N 3.26Å; I158-E160 PolarHBondContact O-N 3.1Å; E160-S162 VanDerWaalsContact C-N 3.27Å; E160-S162 PolarHBondContact O-N 3Å; E160-N163 WeakPolarHBondContact O-CA 3.31Å; E160-N163 PolarHBondContact O-N 2.03Å |
| 161 | K | 97.1 | Very high | 96.5 | Very high | 177 Ų | 177 | 59 Ų | 59 | 77% | 0.77 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -67.2 | -28.3 | 178.6 | -73.9 | -174 | 177 | -179.6 | 0 | 113 | T157 I158 N163 | T157-K161 HydrophobicContact CG2-CD 3.87Å; T157-K161 HydrophobicContact CG2-CG 4.19Å; T157-K161 VanDerWaalsContact O-CB 3.29Å; T157-K161 WeakPolarHBondContact O-CB 3.48Å; T157-K161 WeakPolarHBondContact O-CG 3.42Å; T157-K161 PolarHBondContact O-N 3.04Å; I158-K161 PolarHBondContact O-N 2.9Å; K161-N163 PolarHBondContact O-N 3.39Å |
| 162 | S | 96.8 | Very high | 96.3 | Very high | 20 Ų | 20 | 58.2 Ų | 58.2 | 14% | 0.14 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -5.8 | 173 | -69.2 | 0 | 0 | 0 | 0 | 113.3 | I158 W159 E160 C164 C229 I230 | I158-S162 WeakPolarHBondContact O-CB 3.44Å; I158-S162 PolarHBondContact O-N 2.89Å; I158-S162 PolarHBondContact O-OG 3.02Å; W159-S162 PolarHBondContact O-N 2.92Å; E160-S162 VanDerWaalsContact C-N 3.27Å; E160-S162 PolarHBondContact O-N 3Å; S162-C164 VanDerWaalsContact CB-SG 3.55Å; S162-C164 PolarHBondContact O-N 2.91Å; S162-C164 VanDerWaalsContact O-N 3.14Å; S162-C229 WeakPolarHBondContact O-CB 3.18Å; S162-I230 PolarHBondContact O-N 2.94Å; S162-I230 VanDerWaalsContact O-N 3.11Å |
| 163 | N | 97.3 | Very high | 95.9 | Very high | 60 Ų | 60 | 64 Ų | 64 | 32% | 0.321 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | 33.4 | -178.1 | -158.9 | 23.9 | 0 | 0 | 0 | 112.9 | W159 E160 K161 K165 Q166 L228 C229 | W159-N163 PolarHBondContact O-N 3.24Å; E160-N163 WeakPolarHBondContact O-CA 3.31Å; E160-N163 PolarHBondContact O-N 2.03Å; K161-N163 PolarHBondContact O-N 3.39Å; N163-K165 PolarHBondContact O-N 3.31Å; N163-K165 VanDerWaalsContact O-N 3.08Å; N163-Q166 VanDerWaalsContact ND2-CG 3.31Å; N163-Q166 WeakPolarHBondContact ND2-CG 3.43Å; N163-Q166 PolarHBondContact O-N 3.46Å; N163-Q166 WeakPolarHBondContact OD1-CG 3.45Å; N163-L228 PolarHBondContact ND2-O 3.45Å; N163-C229 WeakPolarHBondContact O-CB 3.43Å |
| 164 | C | 97 | Very high | 95.5 | Very high | 2 Ų | 2 | 63.5 Ų | 63.5 | 1% | 0.014 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -60.6 | -28 | -170 | -72 | 0 | 0 | 0 | 0 | 113.1 | C106 W159 S162 Q166 C167 V168 | C106-C164 WeakPolarHBondContact CA-SG 3.3Å; C106-C164 HydrophobicContact CB-CB 3.57Å; C106-C164 WeakPolarHBondContact CB-SG 3.37Å; C106-C164 WeakPolarHBondContact SG-CA 3.44Å; C106-C164 WeakPolarHBondContact SG-CB 3.09Å; C106-C164 CovalentContact SG-SG 2.04Å; C106-C164 PolarHBondContact SG-SG 2.97Å; W159-C164 HydrophobicContact CD2-CB 3.71Å; W159-C164 HydrophobicContact CE3-CB 3.66Å; W159-C164 HydrophobicContact CG-CB 4.5Å; W159-C164 HydrophobicContact CH2-CB 3.54Å; W159-C164 HydrophobicContact CZ2-CB 3.58Å; W159-C164 HydrophobicContact CZ3-CB 3.59Å; W159-C164 PolarHBondContact O-N 2.71Å; S162-C164 VanDerWaalsContact CB-SG 3.55Å; S162-C164 PolarHBondContact O-N 2.91Å; S162-C164 VanDerWaalsContact O-N 3.14Å; C164-Q166 PolarHBondContact O-N 3.01Å; C164-Q166 VanDerWaalsContact O-N 3.1Å; C164-C167 PolarHBondContact O-N 3.5Å; C164-V168 WeakPolarHBondContact O-CG2 3.04Å; C164-V168 PolarHBondContact O-N 2.74Å |
| 165 | K | 96.1 | Very high | 95.4 | Very high | 152 Ų | 152 | 60.2 Ų | 60.2 | 66% | 0.661 | 31% | 0.31 | S | S | * | . | G | 310 helix | trans | -52.9 | -30.2 | 175.8 | -174 | 177.5 | 178.9 | -179.7 | 0 | 113.5 | N163 C167 | N163-K165 PolarHBondContact O-N 3.31Å; N163-K165 VanDerWaalsContact O-N 3.08Å; K165-C167 VanDerWaalsContact C-N 3.32Å |
| 166 | Q | 96 | Very high | 95.3 | Very high | 73 Ų | 73 | 61.4 Ų | 61.4 | 34% | 0.341 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -77 | -18.4 | 179.5 | -59.2 | -59.4 | -18.5 | 0 | 0 | 113.7 | N163 C164 N176 T227 | N163-Q166 VanDerWaalsContact ND2-CG 3.31Å; N163-Q166 WeakPolarHBondContact ND2-CG 3.43Å; N163-Q166 PolarHBondContact O-N 3.46Å; N163-Q166 WeakPolarHBondContact OD1-CG 3.45Å; C164-Q166 PolarHBondContact O-N 3.01Å; C164-Q166 VanDerWaalsContact O-N 3.1Å; Q166-N176 PolarHBondContact O-ND2 3.4Å; Q166-T227 WeakPolarHBondContact CB-O 3.38Å |
| 167 | C | 95.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | -12.7 | -175.7 | -75.2 | 0 | 0 | 0 | 0 | 114.2 | C164 K165 P175 N176 T179 C229 | C164-C167 PolarHBondContact O-N 3.5Å; K165-C167 VanDerWaalsContact C-N 3.32Å; C167-P175 VanDerWaalsContact O-CA 3.31Å; C167-P175 WeakPolarHBondContact O-CA 3.46Å; C167-N176 PolarHBondContact O-N 3.48Å; C167-T179 VanDerWaalsContact CA-OG1 3.24Å; C167-T179 WeakPolarHBondContact CA-OG1 3.42Å; C167-T179 HydrophobicContact CB-CG2 4.25Å; C167-T179 WeakPolarHBondContact O-CB 3.37Å; C167-T179 PolarHBondContact O-OG1 3.21Å; C167-C229 HydrophobicContact CB-CB 3.81Å; C167-C229 WeakPolarHBondContact CB-SG 3.27Å; C167-C229 WeakPolarHBondContact SG-CB 3.47Å; C167-C229 CovalentContact SG-SG 2.01Å; C167-C229 PolarHBondContact SG-SG 3.21Å |
| 168 | V | 96.5 | Very high | 95 | Very high | 6 Ų | 6 | 68.2 Ų | 68.2 | 4% | 0.036 | 35% | 0.348 | C | S | . | . | B | Isolated β-bridge | trans | -115.6 | 163.5 | -175.3 | -57.2 | 0 | 0 | 0 | 0 | 111.3 | C106 W159 C164 L172 G174 | C106-V168 WeakPolarHBondContact O-CG1 3.37Å; W159-V168 HydrophobicContact CH2-CG1 4.47Å; W159-V168 HydrophobicContact CH2-CG2 4.03Å; W159-V168 HydrophobicContact CZ2-CG2 4.02Å; C164-V168 WeakPolarHBondContact O-CG2 3.04Å; C164-V168 PolarHBondContact O-N 2.74Å; V168-L172 HydrophobicContact CG2-CD2 3.45Å; V168-L172 VanDerWaalsContact CG2-CD2 3.45Å; V168-G174 CarbonylContact C-O 3.57Å; V168-G174 VanDerWaalsContact CA-O 3.22Å; V168-G174 WeakPolarHBondContact CA-O 3.47Å; V168-G174 WeakPolarHBondContact CB-O 3.06Å |
| 169 | T | 95.4 | Very high | 95 | Very high | 42 Ų | 42 | 64.6 Ų | 64.6 | 26% | 0.258 | 33% | 0.33 | S | S | . | . | trans | -68 | 157.3 | 172.1 | 57.2 | 0 | 0 | 0 | 0 | 111.1 | D171 L172 K173 G174 N176 | T169-D171 WeakPolarHBondContact CB-OD1 3.35Å; T169-D171 PolarHBondContact O-N 2.89Å; T169-D171 PolarHBondContact OG1-OD1 3.42Å; T169-L172 WeakPolarHBondContact O-CA 3.35Å; T169-L172 PolarHBondContact O-N 3.18Å; T169-K173 PolarHBondContact OG1-N 3.31Å; T169-G174 PolarHBondContact N-O 3.35Å; T169-G174 PolarHBondContact OG1-O 3.42Å; T169-N176 HydrophobicContact CG2-CB 4.5Å | ||
| 170 | T | 92 | Very high | 95 | Very high | 151 Ų | 151 | 68.1 Ų | 68.1 | 93% | 0.926 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -27.5 | 178.7 | 49.8 | 0 | 0 | 0 | 0 | 113.3 | L172 | T170-L172 VanDerWaalsContact C-N 3.28Š|
| 171 | D | 91.3 | Very high | 95 | Very high | 54 Ų | 54 | 68.6 Ų | 68.6 | 29% | 0.289 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | 4.7 | 175.9 | 69.4 | -18.2 | 0 | 0 | 0 | 113.8 | K114 T169 K173 | K114-D171 WeakPolarHBondContact CD-O 3.32Å; K114-D171 WeakPolarHBondContact CE-O 3.43Å; K114-D171 PolarHBondContact NZ-O 2.86Å; T169-D171 WeakPolarHBondContact CB-OD1 3.35Å; T169-D171 PolarHBondContact O-N 2.89Å; T169-D171 PolarHBondContact OG1-OD1 3.42Å; D171-K173 HydrophobicContact CB-CG 4.41Å; D171-K173 PolarHBondContact O-N 3.42Å; D171-K173 VanDerWaalsContact O-N 3.15Å; D171-K173 WeakPolarHBondContact OD2-CD 3.48Å; D171-K173 WeakPolarHBondContact OD2-CE 3.22Å; D171-K173 VanDerWaalsContact OD2-CG 3.31Å; D171-K173 WeakPolarHBondContact OD2-CG 3.41Å; D171-K173 IonicContact OD2-NZ 3.54Å; D171-K173 PolarHBondContact OD2-NZ 3.3Å |
| 172 | L | 93 | Very high | 95 | Very high | 30 Ų | 30 | 60.2 Ų | 60.2 | 16% | 0.157 | 31% | 0.31 | C | S | . | . | S | Bend | trans | 55.7 | 24 | 177.3 | -54.3 | 179.4 | 0 | 0 | 0 | 114.3 | S110 Y113 K114 W159 V168 T169 T170 | S110-L172 CarbonylContact C-O 3.43Å; S110-L172 WeakPolarHBondContact CB-O 3.37Å; S110-L172 PolarHBondContact OG-O 2.84Å; Y113-L172 HydrophobicContact CD1-CD1 4.13Å; K114-L172 HydrophobicContact CB-CB 3.9Å; K114-L172 HydrophobicContact CB-CD1 3.75Å; K114-L172 HydrophobicContact CB-CG 4.44Å; K114-L172 HydrophobicContact CD-CB 4.16Å; K114-L172 HydrophobicContact CG-CB 4.27Å; K114-L172 HydrophobicContact CG-CD1 4.05Å; W159-L172 HydrophobicContact CH2-CD2 3.97Å; W159-L172 HydrophobicContact CZ2-CD2 3.58Å; V168-L172 HydrophobicContact CG2-CD2 3.45Å; V168-L172 VanDerWaalsContact CG2-CD2 3.45Å; T169-L172 WeakPolarHBondContact O-CA 3.35Å; T169-L172 PolarHBondContact O-N 3.18Å; T170-L172 VanDerWaalsContact C-N 3.28Å |
| 173 | K | 89.5 | Confident | 95 | Very high | 152 Ų | 152 | 61.3 Ų | 61.3 | 66% | 0.661 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -80.1 | -19.4 | 179.9 | -71.1 | -169.9 | -167.7 | 131.5 | 0 | 113.6 | T169 D171 | T169-K173 PolarHBondContact OG1-N 3.31Å; D171-K173 HydrophobicContact CB-CG 4.41Å; D171-K173 PolarHBondContact O-N 3.42Å; D171-K173 VanDerWaalsContact O-N 3.15Å; D171-K173 WeakPolarHBondContact OD2-CD 3.48Å; D171-K173 WeakPolarHBondContact OD2-CE 3.22Å; D171-K173 VanDerWaalsContact OD2-CG 3.31Å; D171-K173 WeakPolarHBondContact OD2-CG 3.41Å; D171-K173 IonicContact OD2-NZ 3.54Å; D171-K173 PolarHBondContact OD2-NZ 3.3Å |
| 174 | G | 89.6 | Confident | 95 | Very high | 13 Ų | 13 | 62 Ų | 62 | 13% | 0.134 | 32% | 0.32 | C | S | . | . | S | Bend | trans | 170.8 | -167.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | V168 T169 | V168-G174 CarbonylContact C-O 3.57Å; V168-G174 VanDerWaalsContact CA-O 3.22Å; V168-G174 WeakPolarHBondContact CA-O 3.47Å; V168-G174 WeakPolarHBondContact CB-O 3.06Å; T169-G174 PolarHBondContact N-O 3.35Å; T169-G174 PolarHBondContact OG1-O 3.42Å |
| 175 | P | 94.2 | Very high | 95.1 | Very high | 35 Ų | 35 | 62.4 Ų | 62.4 | 23% | 0.227 | 32% | 0.322 | C | S | . | . | B | Isolated β-bridge | trans | -64.2 | 146 | -179.2 | -20 | 32.5 | 0 | 0 | 0 | 112.7 | Q107 C167 T179 L180 | Q107-P175 HydrophobicContact CB-CG 4.31Å; Q107-P175 HydrophobicContact CG-CG 4.18Å; C167-P175 VanDerWaalsContact O-CA 3.31Å; C167-P175 WeakPolarHBondContact O-CA 3.46Å; P175-T179 HydrophobicContact CB-CG2 3.84Å; P175-L180 HydrophobicContact CB-CD2 3.99Å; P175-L180 HydrophobicContact CB-CG 4.08Å; P175-L180 HydrophobicContact CG-CD2 4.32Å |
| 176 | N | 95.8 | Very high | 95.2 | Very high | 33 Ų | 33 | 56.3 Ų | 56.3 | 18% | 0.176 | 30% | 0.297 | C | S | . | . | trans | -80.2 | 172.9 | 172.7 | 65.8 | 27.8 | 0 | 0 | 0 | 112.4 | Q166 C167 T169 D178 T179 L180 | Q166-N176 PolarHBondContact O-ND2 3.4Å; C167-N176 PolarHBondContact O-N 3.48Å; T169-N176 HydrophobicContact CG2-CB 4.5Å; N176-D178 PolarHBondContact O-N 2.04Å; N176-D178 PolarHBondContact OD1-N 2.84Å; N176-T179 PolarHBondContact O-N 2.81Å; N176-T179 WeakPolarHBondContact OD1-CB 3.05Å; N176-T179 PolarHBondContact OD1-N 2.93Å; N176-T179 PolarHBondContact OD1-OG1 3.45Å; N176-L180 WeakPolarHBondContact O-CG 3.45Å; N176-L180 PolarHBondContact O-N 3.36Å | ||
| 177 | N | 95.9 | Very high | 95.3 | Very high | 134 Ų | 134 | 57.9 Ų | 57.9 | 72% | 0.717 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -58.8 | -43.1 | -174.7 | -68.2 | -10.5 | 0 | 0 | 0 | 113.2 | T179 L180 Y181 | N177-T179 VanDerWaalsContact C-N 3.33Å; N177-T179 PolarHBondContact O-N 3.32Å; N177-L180 PolarHBondContact O-N 2.91Å; N177-Y181 WeakPolarHBondContact O-CB 3.33Å; N177-Y181 PolarHBondContact O-N 3.13Å |
| 178 | D | 95.5 | Very high | 95.4 | Very high | 91 Ų | 91 | 62.6 Ų | 62.6 | 49% | 0.487 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -65.7 | -40.5 | 180 | -64.9 | -14.8 | 0 | 0 | 0 | 111 | N176 Y181 Y182 M218 M222 | N176-D178 PolarHBondContact O-N 2.04Å; N176-D178 PolarHBondContact OD1-N 2.84Å; D178-Y181 PolarHBondContact O-N 3.33Å; D178-Y182 WeakPolarHBondContact O-CB 3.4Å; D178-Y182 PolarHBondContact O-N 2.83Å; D178-M218 HydrophobicContact CB-CE 4.24Å; D178-M222 HydrophobicContact CB-CE 4.48Å |
| 179 | T | 96.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64.5 | -45 | 175.3 | -58.3 | 0 | 0 | 0 | 0 | 110.9 | Q107 C167 P175 N176 N177 Y181 Y182 L183 L232 | Q107-T179 HydrophobicContact CG-CG2 4.4Å; C167-T179 VanDerWaalsContact CA-OG1 3.24Å; C167-T179 WeakPolarHBondContact CA-OG1 3.42Å; C167-T179 HydrophobicContact CB-CG2 4.25Å; C167-T179 WeakPolarHBondContact O-CB 3.37Å; C167-T179 PolarHBondContact O-OG1 3.21Å; P175-T179 HydrophobicContact CB-CG2 3.84Å; N176-T179 PolarHBondContact O-N 2.81Å; N176-T179 WeakPolarHBondContact OD1-CB 3.05Å; N176-T179 PolarHBondContact OD1-N 2.93Å; N176-T179 PolarHBondContact OD1-OG1 3.45Å; N177-T179 VanDerWaalsContact C-N 3.33Å; N177-T179 PolarHBondContact O-N 3.32Å; T179-Y181 VanDerWaalsContact C-N 3.31Å; T179-Y181 PolarHBondContact O-N 2.87Å; T179-Y182 PolarHBondContact O-N 2.97Å; T179-L183 HydrophobicContact CG2-CD1 4.02Å; T179-L183 HydrophobicContact CG2-CG 4.37Å; T179-L183 WeakPolarHBondContact O-CB 3.33Å; T179-L183 WeakPolarHBondContact O-CG 3.46Å; T179-L183 PolarHBondContact O-N 2.76Å; T179-L232 HydrophobicContact CG2-CD2 4.23Å |
| 180 | L | 96.5 | Very high | 95.6 | Very high | 83 Ų | 83 | 62.4 Ų | 62.4 | 44% | 0.435 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.4 | -41.2 | 175.6 | -71.9 | 172.9 | 0 | 0 | 0 | 112.1 | P175 N176 N177 L183 T184 | P175-L180 HydrophobicContact CB-CD2 3.99Å; P175-L180 HydrophobicContact CB-CG 4.08Å; P175-L180 HydrophobicContact CG-CD2 4.32Å; N176-L180 WeakPolarHBondContact O-CG 3.45Å; N176-L180 PolarHBondContact O-N 3.36Å; N177-L180 PolarHBondContact O-N 2.91Å; L180-L183 PolarHBondContact O-N 2.93Å; L180-T184 PolarHBondContact O-N 3.14Å; L180-T184 PolarHBondContact O-OG1 3.1Å |
| 181 | Y | 97.4 | Very high | 95.9 | Very high | 133 Ų | 133 | 58.8 Ų | 58.8 | 52% | 0.522 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.6 | -47 | 176.1 | -175.8 | -114.4 | 0 | 0 | 0 | 111.7 | N177 D178 T179 L183 T184 L185 M218 | N177-Y181 WeakPolarHBondContact O-CB 3.33Å; N177-Y181 PolarHBondContact O-N 3.13Å; D178-Y181 PolarHBondContact O-N 3.33Å; T179-Y181 VanDerWaalsContact C-N 3.31Å; T179-Y181 PolarHBondContact O-N 2.87Å; Y181-L183 VanDerWaalsContact C-N 3.35Å; Y181-L183 PolarHBondContact O-N 3.27Å; Y181-T184 WeakPolarHBondContact O-CB 3.46Å; Y181-T184 PolarHBondContact O-N 2.82Å; Y181-T184 VanDerWaalsContact O-N 3.14Å; Y181-L185 HydrophobicContact CD1-CD1 4.26Å; Y181-L185 HydrophobicContact CE1-CD1 3.76Å; Y181-L185 HydrophobicContact CE1-CG 4.43Å; Y181-L185 PolarHBondContact O-N 2.99Å; Y181-L185 VanDerWaalsContact O-N 3.1Å; Y181-M218 HydrophobicContact CD1-CE 3.81Å; Y181-M218 HydrophobicContact CD1-CG 4.39Å; Y181-M218 HydrophobicContact CD1-SD 3.8Å; Y181-M218 HydrophobicContact CE1-SD 4.01Å |
| 182 | Y | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -56.5 | -47.1 | 173.3 | 173.1 | -84.9 | 0 | 0 | 0 | 111.8 | D178 T179 T184 L185 L186 L215 M218 Y219 M222 L232 S235 M236 | D178-Y182 WeakPolarHBondContact O-CB 3.4Å; D178-Y182 PolarHBondContact O-N 2.83Å; T179-Y182 PolarHBondContact O-N 2.97Å; Y182-T184 PolarHBondContact O-N 3.02Å; Y182-L185 PolarHBondContact O-N 3Å; Y182-L186 HydrophobicContact CE1-CB 4.28Å; Y182-L186 HydrophobicContact CE1-CD2 4.11Å; Y182-L186 WeakPolarHBondContact O-CB 3.4Å; Y182-L186 PolarHBondContact O-N 2.74Å; Y182-L215 HydrophobicContact CD2-CD1 3.78Å; Y182-L215 HydrophobicContact CE1-CD1 4.43Å; Y182-L215 HydrophobicContact CE2-CD1 3.43Å; Y182-L215 VanDerWaalsContact CE2-CD1 3.43Å; Y182-L215 HydrophobicContact CE2-CG 4.41Å; Y182-L215 HydrophobicContact CG-CD1 4.42Å; Y182-M218 HydrophobicContact CD2-CG 4.27Å; Y182-Y219 HydrophobicContact CE2-CD2 4.07Å; Y182-M222 HydrophobicContact CD2-SD 4.34Å; Y182-L232 HydrophobicContact CD1-CD1 4.42Å; Y182-L232 HydrophobicContact CD1-CD2 3.47Å; Y182-L232 VanDerWaalsContact CD1-CD2 3.47Å; Y182-L232 HydrophobicContact CD1-CG 4.39Å; Y182-L232 HydrophobicContact CE1-CB 4.35Å; Y182-L232 HydrophobicContact CE1-CD2 3.59Å; Y182-L232 HydrophobicContact CE1-CG 4.43Å; Y182-L232 HydrophobicContact CG-CD1 4.42Å; Y182-L232 HydrophobicContact CG-CD2 4.26Å; Y182-L232 PolarHBondContact OH-O 3.47Å; Y182-S235 WeakPolarHBondContact CE1-OG 3.31Å; Y182-S235 PolarHBondContact OH-OG 3.38Å; Y182-M236 WeakPolarHBondContact OH-CB 3.45Å; Y182-M236 PolarHBondContact OH-N 3.09Å |
| 183 | L | 96.7 | Very high | 96.3 | Very high | 43 Ų | 43 | 56 Ų | 56 | 23% | 0.225 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.5 | -32.2 | 179.2 | -70.1 | 170.4 | 0 | 0 | 0 | 112.3 | T179 L180 Y181 L186 N187 | T179-L183 HydrophobicContact CG2-CD1 4.02Å; T179-L183 HydrophobicContact CG2-CG 4.37Å; T179-L183 WeakPolarHBondContact O-CB 3.33Å; T179-L183 WeakPolarHBondContact O-CG 3.46Å; T179-L183 PolarHBondContact O-N 2.76Å; L180-L183 PolarHBondContact O-N 2.93Å; Y181-L183 VanDerWaalsContact C-N 3.35Å; Y181-L183 PolarHBondContact O-N 3.27Å; L183-L186 HydrophobicContact CD2-CD2 4.34Å; L183-N187 VanDerWaalsContact O-CB 3.31Å; L183-N187 WeakPolarHBondContact O-CB 3.48Å; L183-N187 PolarHBondContact O-N 2.94Å |
| 184 | T | 98 | Very high | 96.5 | Very high | 74 Ų | 74 | 55 Ų | 55 | 45% | 0.454 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -66.3 | -47.7 | 174.8 | -58.5 | 0 | 0 | 0 | 0 | 110.9 | L180 Y181 Y182 L186 N187 Q188 | L180-T184 PolarHBondContact O-N 3.14Å; L180-T184 PolarHBondContact O-OG1 3.1Å; Y181-T184 WeakPolarHBondContact O-CB 3.46Å; Y181-T184 PolarHBondContact O-N 2.82Å; Y181-T184 VanDerWaalsContact O-N 3.14Å; Y182-T184 PolarHBondContact O-N 3.02Å; T184-L186 VanDerWaalsContact C-N 3.32Å; T184-L186 PolarHBondContact O-N 3.46Å; T184-N187 PolarHBondContact O-N 3.02Å; T184-Q188 VanDerWaalsContact O-CG 3.32Å; T184-Q188 WeakPolarHBondContact O-CG 3.36Å; T184-Q188 PolarHBondContact O-N 3.04Å |
| 185 | L | 98.4 | Very high | 96.7 | Very high | 12 Ų | 12 | 61.7 Ų | 61.7 | 6% | 0.063 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.1 | -39.5 | 175.3 | -65.5 | 176 | 0 | 0 | 0 | 111.9 | Y181 Y182 Q188 T189 D214 L215 M218 | Y181-L185 HydrophobicContact CD1-CD1 4.26Å; Y181-L185 HydrophobicContact CE1-CD1 3.76Å; Y181-L185 HydrophobicContact CE1-CG 4.43Å; Y181-L185 PolarHBondContact O-N 2.99Å; Y181-L185 VanDerWaalsContact O-N 3.1Å; Y182-L185 PolarHBondContact O-N 3Å; L185-Q188 PolarHBondContact O-N 3.45Å; L185-T189 WeakPolarHBondContact O-CB 3.48Å; L185-T189 PolarHBondContact O-N 3.22Å; L185-T189 PolarHBondContact O-OG1 3.04Å; L185-D214 HydrophobicContact CD2-CB 4.38Å; L185-L215 HydrophobicContact CB-CB 4.31Å; L185-L215 HydrophobicContact CB-CD1 4.01Å; L185-M218 HydrophobicContact CD1-CB 3.78Å; L185-M218 HydrophobicContact CD1-CG 4.09Å |
| 186 | L | 98 | Very high | 96.6 | Very high | 24 Ų | 24 | 62.5 Ų | 62.5 | 13% | 0.126 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.1 | -49.2 | 175.5 | 178.5 | 66 | 0 | 0 | 0 | 110.2 | Y182 L183 T184 Q188 T189 I190 L215 T239 | Y182-L186 HydrophobicContact CE1-CB 4.28Å; Y182-L186 HydrophobicContact CE1-CD2 4.11Å; Y182-L186 WeakPolarHBondContact O-CB 3.4Å; Y182-L186 PolarHBondContact O-N 2.74Å; L183-L186 HydrophobicContact CD2-CD2 4.34Å; T184-L186 VanDerWaalsContact C-N 3.32Å; T184-L186 PolarHBondContact O-N 3.46Å; L186-Q188 VanDerWaalsContact C-N 3.33Å; L186-Q188 PolarHBondContact O-N 3.3Å; L186-T189 WeakPolarHBondContact O-CB 3.44Å; L186-T189 PolarHBondContact O-N 3.19Å; L186-T189 VanDerWaalsContact O-N 3.13Å; L186-I190 HydrophobicContact CD1-CD1 4.44Å; L186-I190 HydrophobicContact CD1-CG1 4.07Å; L186-I190 HydrophobicContact CG-CG1 4.35Å; L186-I190 WeakPolarHBondContact O-CG1 3.39Å; L186-I190 PolarHBondContact O-N 2.95Å; L186-L215 HydrophobicContact CB-CD1 4.04Å; L186-L215 HydrophobicContact CD1-CD2 3.84Å; L186-T239 WeakPolarHBondContact CD1-OG1 3.46Å |
| 187 | N | 98.1 | Very high | 96.2 | Very high | 105 Ų | 105 | 67.3 Ų | 67.3 | 56% | 0.561 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -61.1 | -42 | 179 | -170.3 | 18.7 | 0 | 0 | 0 | 111.8 | L183 T184 T189 I190 T191 | L183-N187 VanDerWaalsContact O-CB 3.31Å; L183-N187 WeakPolarHBondContact O-CB 3.48Å; L183-N187 PolarHBondContact O-N 2.94Å; T184-N187 PolarHBondContact O-N 3.02Å; N187-T189 VanDerWaalsContact C-N 3.33Å; N187-T189 PolarHBondContact O-N 3.4Å; N187-I190 PolarHBondContact O-N 2.88Å; N187-T191 WeakPolarHBondContact O-CB 3.34Å; N187-T191 PolarHBondContact O-N 3.02Å; N187-T191 PolarHBondContact O-OG1 3.4Å; N187-T191 PolarHBondContact OD1-OG1 2.04Å |
| 188 | Q | 98 | Very high | 95.6 | Very high | 100 Ų | 100 | 70.3 Ų | 70.3 | 47% | 0.467 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -59.4 | -43.9 | 173.4 | -72 | 172.9 | -6.7 | 0 | 0 | 112 | T184 L185 L186 C192 | T184-Q188 VanDerWaalsContact O-CG 3.32Å; T184-Q188 WeakPolarHBondContact O-CG 3.36Å; T184-Q188 PolarHBondContact O-N 3.04Å; L185-Q188 PolarHBondContact O-N 3.45Å; L186-Q188 VanDerWaalsContact C-N 3.33Å; L186-Q188 PolarHBondContact O-N 3.3Å; Q188-C192 WeakPolarHBondContact O-CB 3.43Å; Q188-C192 PolarHBondContact O-N 2.93Å |
| 189 | T | 97.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.2 | -49.2 | 179 | -58.6 | 0 | 0 | 0 | 0 | 111.4 | L185 L186 N187 C192 F193 P211 Y212 L215 T239 | L185-T189 WeakPolarHBondContact O-CB 3.48Å; L185-T189 PolarHBondContact O-N 3.22Å; L185-T189 PolarHBondContact O-OG1 3.04Å; L186-T189 WeakPolarHBondContact O-CB 3.44Å; L186-T189 PolarHBondContact O-N 3.19Å; L186-T189 VanDerWaalsContact O-N 3.13Å; N187-T189 VanDerWaalsContact C-N 3.33Å; N187-T189 PolarHBondContact O-N 3.4Å; T189-C192 WeakPolarHBondContact O-CB 3.43Å; T189-C192 PolarHBondContact O-N 3.17Å; T189-F193 HydrophobicContact CG2-CD1 4.41Å; T189-F193 HydrophobicContact CG2-CE1 3.77Å; T189-F193 HydrophobicContact CG2-CE2 3.93Å; T189-F193 HydrophobicContact CG2-CZ 3.5Å; T189-F193 WeakPolarHBondContact O-CD1 3.4Å; T189-F193 WeakPolarHBondContact O-CG 3.21Å; T189-F193 PolarHBondContact O-N 3Å; T189-P211 PolarHBondContact OG1-O 2.87Å; T189-P211 VanDerWaalsContact OG1-O 3.12Å; T189-Y212 HydrophobicContact CG2-CD2 4.4Å; T189-L215 HydrophobicContact CG2-CD2 4.16Å; T189-T239 HydrophobicContact CG2-CG2 4.16Å |
| 190 | I | 97.2 | Very high | 94 | Very high | 43 Ų | 43 | 73 Ų | 73 | 22% | 0.221 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -65.3 | -41.8 | 179.4 | -62.4 | -56.4 | 0 | 0 | 0 | 111 | L186 N187 C192 F193 E194 L242 | L186-I190 HydrophobicContact CD1-CD1 4.44Å; L186-I190 HydrophobicContact CD1-CG1 4.07Å; L186-I190 HydrophobicContact CG-CG1 4.35Å; L186-I190 WeakPolarHBondContact O-CG1 3.39Å; L186-I190 PolarHBondContact O-N 2.95Å; N187-I190 PolarHBondContact O-N 2.88Å; I190-C192 VanDerWaalsContact C-N 3.27Å; I190-C192 PolarHBondContact O-N 3.3Å; I190-F193 HydrophobicContact CD1-CD2 4.05Å; I190-F193 HydrophobicContact CD1-CE2 4.43Å; I190-F193 WeakPolarHBondContact O-CB 3.36Å; I190-F193 PolarHBondContact O-N 3.41Å; I190-F193 VanDerWaalsContact O-N 3.08Å; I190-E194 HydrophobicContact CG2-CG 4.37Å; I190-E194 WeakPolarHBondContact O-CG 3.36Å; I190-E194 PolarHBondContact O-N 2.93Å; I190-L242 HydrophobicContact CD1-CD1 4.44Å |
| 191 | T | 97.4 | Very high | 93.5 | Very high | 75 Ų | 75 | 72.8 Ų | 72.8 | 46% | 0.46 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -59.5 | -40.1 | 174.3 | -60.1 | 0 | 0 | 0 | 0 | 111.1 | N187 E194 K195 | N187-T191 WeakPolarHBondContact O-CB 3.34Å; N187-T191 PolarHBondContact O-N 3.02Å; N187-T191 PolarHBondContact O-OG1 3.4Å; N187-T191 PolarHBondContact OD1-OG1 2.04Å; T191-E194 PolarHBondContact O-N 2.86Å; T191-K195 WeakPolarHBondContact O-CB 3.31Å; T191-K195 PolarHBondContact O-N 3.45Å |
| 192 | C | 96.6 | Very high | 93.2 | Very high | 21 Ų | 21 | 70.1 Ų | 70.1 | 14% | 0.142 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.2 | -45.6 | 173.7 | -167.6 | 0 | 0 | 0 | 0 | 111.4 | Q188 T189 I190 E194 K195 Y196 C208 P211 | Q188-C192 WeakPolarHBondContact O-CB 3.43Å; Q188-C192 PolarHBondContact O-N 2.93Å; T189-C192 WeakPolarHBondContact O-CB 3.43Å; T189-C192 PolarHBondContact O-N 3.17Å; I190-C192 VanDerWaalsContact C-N 3.27Å; I190-C192 PolarHBondContact O-N 3.3Å; C192-E194 VanDerWaalsContact C-N 3.35Å; C192-E194 PolarHBondContact O-N 3.4Å; C192-K195 PolarHBondContact O-N 2.91Å; C192-Y196 WeakPolarHBondContact O-CD2 3.47Å; C192-Y196 PolarHBondContact O-N 3.35Å; C192-C208 HydrophobicContact CB-CB 3.9Å; C192-C208 WeakPolarHBondContact CB-SG 3.47Å; C192-C208 PolarHBondContact O-SG 3.4Å; C192-C208 VanDerWaalsContact O-SG 3.33Å; C192-C208 WeakPolarHBondContact SG-CA 3.39Å; C192-C208 WeakPolarHBondContact SG-CB 3.46Å; C192-C208 CovalentContact SG-SG 2.04Å; C192-C208 PolarHBondContact SG-SG 2.93Å; C192-P211 HydrophobicContact CB-CG 4.26Å |
| 193 | F | 96.2 | Very high | 92.8 | Very high | 6 Ų | 6 | 75.1 Ų | 75.1 | 3% | 0.026 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -59.5 | -46.1 | 177.2 | -67.3 | -5.3 | 0 | 0 | 0 | 111.5 | T189 I190 K195 Y196 K197 L204 C208 Y212 T239 L242 W243 F247 | T189-F193 HydrophobicContact CG2-CD1 4.41Å; T189-F193 HydrophobicContact CG2-CE1 3.77Å; T189-F193 HydrophobicContact CG2-CE2 3.93Å; T189-F193 HydrophobicContact CG2-CZ 3.5Å; T189-F193 WeakPolarHBondContact O-CD1 3.4Å; T189-F193 WeakPolarHBondContact O-CG 3.21Å; T189-F193 PolarHBondContact O-N 3Å; I190-F193 HydrophobicContact CD1-CD2 4.05Å; I190-F193 HydrophobicContact CD1-CE2 4.43Å; I190-F193 WeakPolarHBondContact O-CB 3.36Å; I190-F193 PolarHBondContact O-N 3.41Å; I190-F193 VanDerWaalsContact O-N 3.08Å; F193-K195 VanDerWaalsContact C-N 3.35Å; F193-K195 PolarHBondContact O-N 3.22Å; F193-Y196 PolarHBondContact O-N 3.34Å; F193-K197 WeakPolarHBondContact O-CA 3.22Å; F193-K197 VanDerWaalsContact O-CB 3.31Å; F193-K197 WeakPolarHBondContact O-CB 3.31Å; F193-K197 PolarHBondContact O-N 3.2Å; F193-L204 HydrophobicContact CD1-CD2 4.07Å; F193-L204 HydrophobicContact CE1-CD2 4.36Å; F193-C208 HydrophobicContact CD1-CB 3.85Å; F193-C208 HydrophobicContact CE1-CB 3.82Å; F193-Y212 HydrophobicContact CZ-CD2 4.12Å; F193-T239 HydrophobicContact CE2-CG2 3.93Å; F193-T239 HydrophobicContact CZ-CG2 4.33Å; F193-L242 HydrophobicContact CE2-CB 4.33Å; F193-W243 AromaticContact CE1-CE3 3.52Å; F193-W243 HydrophobicContact CE1-CE3 3.52Å; F193-W243 AromaticContact CE1-CZ3 3.73Å; F193-W243 HydrophobicContact CE1-CZ3 3.73Å; F193-W243 HydrophobicContact CZ-CB 4.44Å; F193-W243 HydrophobicContact CZ-CD2 4.45Å; F193-W243 AromaticContact CZ-CE3 3.52Å; F193-W243 HydrophobicContact CZ-CE3 3.52Å; F193-W243 HydrophobicContact CZ-CZ3 4.19Å; F193-F247 HydrophobicContact CB-CE2 4.02Å; F193-F247 HydrophobicContact CB-CZ 4.31Å; F193-F247 HydrophobicContact CD1-CE2 4.38Å; F193-F247 AromaticContact CD2-CE2 3.7Å; F193-F247 HydrophobicContact CD2-CE2 3.7Å; F193-F247 HydrophobicContact CE2-CE2 4.2Å; F193-F247 AromaticContact CG-CE2 3.79Å; F193-F247 HydrophobicContact CG-CE2 3.79Å |
| 194 | E | 94.9 | Very high | 92.7 | Very high | 130 Ų | 130 | 73.1 Ų | 73.1 | 61% | 0.607 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -60.3 | -43.1 | 178.9 | -73.6 | 178.3 | 176.8 | 0 | 0 | 112 | I190 T191 C192 Y196 K197 | I190-E194 HydrophobicContact CG2-CG 4.37Å; I190-E194 WeakPolarHBondContact O-CG 3.36Å; I190-E194 PolarHBondContact O-N 2.93Å; T191-E194 PolarHBondContact O-N 2.86Å; C192-E194 VanDerWaalsContact C-N 3.35Å; C192-E194 PolarHBondContact O-N 3.4Å; E194-Y196 VanDerWaalsContact C-N 3.28Å; E194-Y196 PolarHBondContact O-N 2.88Å; E194-K197 PolarHBondContact O-N 3.46Å |
| 195 | K | 94.4 | Very high | 92.5 | Very high | 154 Ų | 154 | 70.9 Ų | 70.9 | 67% | 0.67 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -58.7 | -36.9 | 178.8 | -177.7 | 179.4 | 175.5 | -168 | 0 | 113.3 | T191 C192 F193 | T191-K195 WeakPolarHBondContact O-CB 3.31Å; T191-K195 PolarHBondContact O-N 3.45Å; C192-K195 PolarHBondContact O-N 2.91Å; F193-K195 VanDerWaalsContact C-N 3.35Å; F193-K195 PolarHBondContact O-N 3.22Å |
| 196 | Y | 91.8 | Very high | 92.3 | Very high | 51 Ų | 51 | 77.9 Ų | 77.9 | 20% | 0.2 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -107.4 | 5.8 | -176.3 | -65.4 | -82.8 | 0 | 0 | 0 | 113.6 | C192 F193 E194 E198 G199 E203 | C192-Y196 WeakPolarHBondContact O-CD2 3.47Å; C192-Y196 PolarHBondContact O-N 3.35Å; F193-Y196 PolarHBondContact O-N 3.34Å; E194-Y196 VanDerWaalsContact C-N 3.28Å; E194-Y196 PolarHBondContact O-N 2.88Å; Y196-E198 PolarHBondContact O-N 3.31Å; Y196-G199 PolarHBondContact O-N 2.85Å; Y196-E203 HydrophobicContact CD1-CG 4.17Å; Y196-E203 HydrophobicContact CE1-CG 4.16Å |
| 197 | K | 87.2 | Confident | 92.1 | Very high | 134 Ų | 134 | 79 Ų | 79 | 58% | 0.583 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -39.9 | -174.3 | -178.2 | -176.4 | 173.6 | -170.4 | 0 | 113.3 | F193 E194 G199 | F193-K197 WeakPolarHBondContact O-CA 3.22Å; F193-K197 VanDerWaalsContact O-CB 3.31Å; F193-K197 WeakPolarHBondContact O-CB 3.31Å; F193-K197 PolarHBondContact O-N 3.2Å; E194-K197 PolarHBondContact O-N 3.46Å; K197-G199 VanDerWaalsContact C-N 3.3Å |
| 198 | E | 82.1 | Confident | 92 | Very high | 198 Ų | 198 | 74 Ų | 74 | 93% | 0.925 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -7.9 | -177.6 | -61.6 | -176.3 | 173.7 | 0 | 0 | 112.7 | Y196 | Y196-E198 PolarHBondContact O-N 3.31Š|
| 199 | G | 75.3 | Confident | 91.9 | Very high | 44 Ų | 44 | 72.8 Ų | 72.8 | 45% | 0.454 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -94.6 | -163.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y196 K197 H201 | Y196-G199 PolarHBondContact O-N 2.85Å; K197-G199 VanDerWaalsContact C-N 3.3Å; G199-H201 PolarHBondContact O-N 2.92Å |
| 200 | N | 83.4 | Confident | 91.8 | Very high | 103 Ų | 103 | 78.3 Ų | 78.3 | 55% | 0.551 | 40% | 0.398 | S | S | * | . | trans | -71.3 | 119.9 | 174.2 | -174.7 | -20.7 | 0 | 0 | 0 | 110 | T202 E203 L204 | N200-T202 PolarHBondContact O-N 2.95Å; N200-T202 VanDerWaalsContact OD1-CB 3.25Å; N200-T202 WeakPolarHBondContact OD1-CB 3.4Å; N200-T202 PolarHBondContact OD1-N 2.74Å; N200-T202 PolarHBondContact OD1-OG1 3.45Å; N200-E203 WeakPolarHBondContact O-CB 3.45Å; N200-E203 PolarHBondContact O-N 3.48Å; N200-L204 PolarHBondContact O-N 2.86Å | ||
| 201 | H | 87.4 | Confident | 91.8 | Very high | 79 Ų | 79 | 77.5 Ų | 77.5 | 37% | 0.366 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -53.3 | -28.7 | 177.7 | -67 | -178.8 | 0 | 0 | 0 | 113 | G199 E203 L204 C205 | G199-H201 PolarHBondContact O-N 2.92Å; H201-E203 VanDerWaalsContact C-N 3.3Å; H201-E203 PolarHBondContact O-N 2.84Å; H201-L204 WeakPolarHBondContact O-CB 3.31Å; H201-L204 PolarHBondContact O-N 3.2Å; H201-C205 PolarHBondContact O-N 3.08Å; H201-C205 PolarHBondContact O-SG 3.32Å |
| 202 | T | 89.3 | Confident | 91.8 | Very high | 77 Ų | 77 | 75.3 Ų | 75.3 | 47% | 0.472 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60.9 | -39 | 175.4 | -48.9 | 0 | 0 | 0 | 0 | 112.3 | N200 K206 | N200-T202 PolarHBondContact O-N 2.95Å; N200-T202 VanDerWaalsContact OD1-CB 3.25Å; N200-T202 WeakPolarHBondContact OD1-CB 3.4Å; N200-T202 PolarHBondContact OD1-N 2.74Å; N200-T202 PolarHBondContact OD1-OG1 3.45Å; T202-K206 WeakPolarHBondContact O-CG 3.06Å; T202-K206 PolarHBondContact O-N 3.42Å |
| 203 | E | 91.3 | Very high | 91.9 | Very high | 105 Ų | 105 | 79.7 Ų | 79.7 | 49% | 0.491 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -73.1 | -37.4 | 177.2 | -171.5 | 178.1 | 175.4 | 0 | 0 | 111.2 | Y196 N200 H201 K206 S207 | Y196-E203 HydrophobicContact CD1-CG 4.17Å; Y196-E203 HydrophobicContact CE1-CG 4.16Å; N200-E203 WeakPolarHBondContact O-CB 3.45Å; N200-E203 PolarHBondContact O-N 3.48Å; H201-E203 VanDerWaalsContact C-N 3.3Å; H201-E203 PolarHBondContact O-N 2.84Å; E203-K206 PolarHBondContact O-N 3.33Å; E203-S207 VanDerWaalsContact O-CB 3.27Å; E203-S207 WeakPolarHBondContact O-CB 3.19Å; E203-S207 PolarHBondContact O-N 3.04Å; E203-S207 PolarHBondContact O-OG 2.73Å |
| 204 | L | 94.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 83.2 Ų | 83.2 | 0% | 0 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -56.7 | -51.1 | 171.1 | -176.2 | 158.2 | 0 | 0 | 0 | 110.6 | F193 N200 H201 K206 S207 C208 W243 F247 | F193-L204 HydrophobicContact CD1-CD2 4.07Å; F193-L204 HydrophobicContact CE1-CD2 4.36Å; N200-L204 PolarHBondContact O-N 2.86Å; H201-L204 WeakPolarHBondContact O-CB 3.31Å; H201-L204 PolarHBondContact O-N 3.2Å; L204-K206 VanDerWaalsContact C-N 3.3Å; L204-K206 PolarHBondContact O-N 3.36Å; L204-S207 PolarHBondContact O-N 3.29Å; L204-C208 VanDerWaalsContact O-CB 3.3Å; L204-C208 WeakPolarHBondContact O-CB 3.42Å; L204-C208 PolarHBondContact O-N 2.55Å; L204-W243 HydrophobicContact CD2-CZ3 4.24Å; L204-F247 HydrophobicContact CD1-CD1 4Å; L204-F247 HydrophobicContact CD1-CD2 4.14Å; L204-F247 HydrophobicContact CD1-CE1 3.96Å; L204-F247 HydrophobicContact CD1-CE2 4.1Å; L204-F247 HydrophobicContact CD1-CG 4.1Å; L204-F247 HydrophobicContact CD1-CZ 4.01Å; L204-F247 HydrophobicContact CD2-CB 4.22Å; L204-F247 HydrophobicContact CD2-CD2 3.8Å; L204-F247 HydrophobicContact CD2-CE2 4.34Å; L204-F247 HydrophobicContact CD2-CG 4.01Å |
| 205 | C | 93.6 | Very high | 92.1 | Very high | 28 Ų | 28 | 77 Ų | 77 | 19% | 0.189 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -59.9 | -41.6 | -179.6 | -54.7 | 0 | 0 | 0 | 0 | 111.5 | H201 I209 W243 C249 | H201-C205 PolarHBondContact O-N 3.08Å; H201-C205 PolarHBondContact O-SG 3.32Å; C205-I209 VanDerWaalsContact O-CB 3.31Å; C205-I209 WeakPolarHBondContact O-CB 3.49Å; C205-I209 PolarHBondContact O-N 3.24Å; C205-W243 HydrophobicContact CB-CH2 4.45Å; C205-C249 WeakPolarHBondContact CA-SG 3.09Å; C205-C249 HydrophobicContact CB-CB 3.68Å; C205-C249 WeakPolarHBondContact CB-SG 3.2Å; C205-C249 WeakPolarHBondContact SG-CA 3.43Å; C205-C249 WeakPolarHBondContact SG-CB 3.45Å; C205-C249 CovalentContact SG-SG 2.03Å; C205-C249 PolarHBondContact SG-SG 2.04Å |
| 206 | K | 93.4 | Very high | 92.3 | Very high | 159 Ų | 159 | 71.4 Ų | 71.4 | 69% | 0.691 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -68.8 | -38.9 | 178.3 | -72.8 | 175.9 | -178.2 | 179.6 | 0 | 112.8 | T202 E203 L204 I209 | T202-K206 WeakPolarHBondContact O-CG 3.06Å; T202-K206 PolarHBondContact O-N 3.42Å; E203-K206 PolarHBondContact O-N 3.33Å; L204-K206 VanDerWaalsContact C-N 3.3Å; L204-K206 PolarHBondContact O-N 3.36Å; K206-I209 WeakPolarHBondContact O-CG2 3.46Å |
| 207 | S | 94.5 | Very high | 92.5 | Very high | 47 Ų | 47 | 72.9 Ų | 72.9 | 33% | 0.329 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -82.8 | -33.9 | -173.9 | -54.5 | 0 | 0 | 0 | 0 | 112.4 | E203 L204 | E203-S207 VanDerWaalsContact O-CB 3.27Å; E203-S207 WeakPolarHBondContact O-CB 3.19Å; E203-S207 PolarHBondContact O-N 3.04Å; E203-S207 PolarHBondContact O-OG 2.73Å; L204-S207 PolarHBondContact O-N 3.29Å |
| 208 | C | 96.3 | Very high | 93 | Very high | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -101.7 | 2.9 | -174.4 | -54.9 | 0 | 0 | 0 | 0 | 114.2 | C192 F193 L204 L210 P211 Y212 W243 | C192-C208 HydrophobicContact CB-CB 3.9Å; C192-C208 WeakPolarHBondContact CB-SG 3.47Å; C192-C208 PolarHBondContact O-SG 3.4Å; C192-C208 VanDerWaalsContact O-SG 3.33Å; C192-C208 WeakPolarHBondContact SG-CA 3.39Å; C192-C208 WeakPolarHBondContact SG-CB 3.46Å; C192-C208 CovalentContact SG-SG 2.04Å; C192-C208 PolarHBondContact SG-SG 2.93Å; F193-C208 HydrophobicContact CD1-CB 3.85Å; F193-C208 HydrophobicContact CE1-CB 3.82Å; L204-C208 VanDerWaalsContact O-CB 3.3Å; L204-C208 WeakPolarHBondContact O-CB 3.42Å; L204-C208 PolarHBondContact O-N 2.55Å; C208-L210 VanDerWaalsContact C-N 3.32Å; C208-L210 PolarHBondContact O-N 3Å; C208-P211 HydrophobicContact CB-CG 4.4Å; C208-P211 WeakPolarHBondContact O-CD 3.5Å; C208-P211 WeakPolarHBondContact O-CG 3.34Å; C208-Y212 WeakPolarHBondContact O-CB 3.48Å; C208-Y212 PolarHBondContact O-N 3.38Å; C208-Y212 VanDerWaalsContact O-N 3.1Å; C208-W243 HydrophobicContact CB-CZ3 4.16Å |
| 209 | I | 95.4 | Very high | 93.8 | Very high | 74 Ų | 74 | 59.8 Ų | 59.8 | 38% | 0.379 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60.2 | -40.5 | 177.4 | -176.2 | 65 | 0 | 0 | 0 | 112.5 | C205 K206 K213 W243 | C205-I209 VanDerWaalsContact O-CB 3.31Å; C205-I209 WeakPolarHBondContact O-CB 3.49Å; C205-I209 PolarHBondContact O-N 3.24Å; K206-I209 WeakPolarHBondContact O-CG2 3.46Å; I209-K213 WeakPolarHBondContact O-CB 3.38Å; I209-K213 PolarHBondContact O-N 3.28Å; I209-W243 HydrophobicContact CB-CH2 4.1Å; I209-W243 HydrophobicContact CB-CZ2 4.47Å; I209-W243 HydrophobicContact CD1-CH2 4.03Å; I209-W243 HydrophobicContact CD1-CZ2 3.54Å |
| 210 | L | 96.3 | Very high | 94.8 | Very high | 117 Ų | 117 | 59 Ų | 59 | 61% | 0.613 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -64.7 | -57.8 | -179.1 | -65.6 | 176.9 | 0 | 0 | 0 | 112 | C208 Y212 K213 D214 | C208-L210 VanDerWaalsContact C-N 3.32Å; C208-L210 PolarHBondContact O-N 3Å; L210-Y212 VanDerWaalsContact C-N 3.28Å; L210-Y212 PolarHBondContact O-N 3Å; L210-K213 PolarHBondContact O-N 3.38Å; L210-K213 VanDerWaalsContact O-N 3.08Å; L210-D214 PolarHBondContact O-N 3.09Å |
| 211 | P | 97.4 | Very high | 95.5 | Very high | 25 Ų | 25 | 55.6 Ų | 55.6 | 16% | 0.162 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61 | -37 | 178.7 | 22.9 | -33.4 | 0 | 0 | 0 | 112.5 | T189 C192 C208 D214 L215 | T189-P211 PolarHBondContact OG1-O 2.87Å; T189-P211 VanDerWaalsContact OG1-O 3.12Å; C192-P211 HydrophobicContact CB-CG 4.26Å; C208-P211 HydrophobicContact CB-CG 4.4Å; C208-P211 WeakPolarHBondContact O-CD 3.5Å; C208-P211 WeakPolarHBondContact O-CG 3.34Å; P211-D214 PolarHBondContact O-N 3.34Å; P211-L215 WeakPolarHBondContact O-CB 3.37Å; P211-L215 PolarHBondContact O-N 3.46Å |
| 212 | Y | 97.5 | Very high | 95.9 | Very high | 30 Ų | 30 | 52.2 Ų | 52.2 | 12% | 0.118 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.2 | -42 | 174.5 | 173.5 | -99.3 | 0 | 0 | 0 | 112.5 | T189 F193 C208 L210 N216 M236 T239 W243 | T189-Y212 HydrophobicContact CG2-CD2 4.4Å; F193-Y212 HydrophobicContact CZ-CD2 4.12Å; C208-Y212 WeakPolarHBondContact O-CB 3.48Å; C208-Y212 PolarHBondContact O-N 3.38Å; C208-Y212 VanDerWaalsContact O-N 3.1Å; L210-Y212 VanDerWaalsContact C-N 3.28Å; L210-Y212 PolarHBondContact O-N 3Å; Y212-N216 WeakPolarHBondContact O-CB 3.32Å; Y212-N216 PolarHBondContact O-N 3.38Å; Y212-M236 HydrophobicContact CE2-CE 4.31Å; Y212-T239 HydrophobicContact CD2-CG2 4.18Å; Y212-T239 HydrophobicContact CE2-CG2 4.25Å; Y212-W243 AromaticContact CD1-CD2 3.81Å; Y212-W243 HydrophobicContact CD1-CD2 3.81Å; Y212-W243 AromaticContact CD1-CE2 3.6Å; Y212-W243 HydrophobicContact CD1-CE3 4.34Å; Y212-W243 HydrophobicContact CD1-CG 4.17Å; Y212-W243 HydrophobicContact CD1-CH2 4.45Å; Y212-W243 AromaticContact CD1-CZ2 3.97Å; Y212-W243 HydrophobicContact CD1-CZ2 3.97Å; Y212-W243 AromaticContact CD1-NE1 3.86Å; Y212-W243 HydrophobicContact CD2-CB 4.17Å; Y212-W243 AromaticContact CD2-CD2 3.96Å; Y212-W243 HydrophobicContact CD2-CD2 3.96Å; Y212-W243 HydrophobicContact CD2-CE3 4.15Å; Y212-W243 AromaticContact CD2-CG 3.99Å; Y212-W243 HydrophobicContact CD2-CG 3.99Å; Y212-W243 AromaticContact CE1-CD1 3.55Å; Y212-W243 AromaticContact CE1-CD2 3.96Å; Y212-W243 HydrophobicContact CE1-CD2 3.96Å; Y212-W243 AromaticContact CE1-CE2 3.74Å; Y212-W243 AromaticContact CE1-CG 3.85Å; Y212-W243 HydrophobicContact CE1-CG 3.85Å; Y212-W243 HydrophobicContact CE1-CZ2 4.46Å; Y212-W243 AromaticContact CE1-NE1 3.48Å; Y212-W243 HydrophobicContact CE2-CB 3.67Å; Y212-W243 HydrophobicContact CE2-CD2 4.09Å; Y212-W243 AromaticContact CE2-CG 3.64Å; Y212-W243 HydrophobicContact CE2-CG 3.64Å; Y212-W243 AromaticContact CG-CD2 3.8Å; Y212-W243 HydrophobicContact CG-CD2 3.8Å; Y212-W243 AromaticContact CG-CE3 3.95Å; Y212-W243 HydrophobicContact CG-CE3 3.95Å; Y212-W243 HydrophobicContact CG-CG 4.24Å; Y212-W243 HydrophobicContact CG-CZ2 4.44Å; Y212-W243 HydrophobicContact CG-CZ3 4.3Å; Y212-W243 AromaticContact CZ-CD1 3.45Å; Y212-W243 VanDerWaalsContact CZ-CD1 3.45Å; Y212-W243 AromaticContact CZ-CG 3.56Å; Y212-W243 AromaticContact CZ-NE1 3.92Å |
| 213 | K | 97 | Very high | 96.3 | Very high | 112 Ų | 112 | 53.3 Ų | 53.3 | 49% | 0.487 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -65.1 | -46.8 | 177.5 | -175.9 | -172.4 | 173.3 | -168.7 | 0 | 110.8 | I209 L210 L215 N216 D217 | I209-K213 WeakPolarHBondContact O-CB 3.38Å; I209-K213 PolarHBondContact O-N 3.28Å; L210-K213 PolarHBondContact O-N 3.38Å; L210-K213 VanDerWaalsContact O-N 3.08Å; K213-L215 VanDerWaalsContact C-N 3.3Å; K213-L215 PolarHBondContact O-N 2.82Å; K213-N216 CarbonylContact O-C 3.51Å; K213-N216 PolarHBondContact O-N 2.93Å; K213-N216 VanDerWaalsContact O-N 3.09Å; K213-D217 WeakPolarHBondContact CE-OD2 3.33Å; K213-D217 WeakPolarHBondContact O-CB 3.38Å; K213-D217 VanDerWaalsContact O-CG 3.29Å; K213-D217 PolarHBondContact O-N 2.8Å |
| 214 | D | 98 | Very high | 96.5 | Very high | 81 Ų | 81 | 56.5 Ų | 56.5 | 43% | 0.433 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.8 | -42.6 | 179 | -64.9 | -20.9 | 0 | 0 | 0 | 111.1 | L185 L210 P211 D217 M218 | L185-D214 HydrophobicContact CD2-CB 4.38Å; L210-D214 PolarHBondContact O-N 3.09Å; P211-D214 PolarHBondContact O-N 3.34Å; D214-D217 PolarHBondContact O-N 3.38Å; D214-M218 WeakPolarHBondContact O-CB 3.34Å; D214-M218 PolarHBondContact O-N 2.89Å |
| 215 | L | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.3 | -46.9 | 172.3 | 176.9 | 66.1 | 0 | 0 | 0 | 112.1 | Y182 L185 L186 T189 P211 K213 M218 Y219 M236 T239 | Y182-L215 HydrophobicContact CD2-CD1 3.78Å; Y182-L215 HydrophobicContact CE1-CD1 4.43Å; Y182-L215 HydrophobicContact CE2-CD1 3.43Å; Y182-L215 VanDerWaalsContact CE2-CD1 3.43Å; Y182-L215 HydrophobicContact CE2-CG 4.41Å; Y182-L215 HydrophobicContact CG-CD1 4.42Å; L185-L215 HydrophobicContact CB-CB 4.31Å; L185-L215 HydrophobicContact CB-CD1 4.01Å; L186-L215 HydrophobicContact CB-CD1 4.04Å; L186-L215 HydrophobicContact CD1-CD2 3.84Å; T189-L215 HydrophobicContact CG2-CD2 4.16Å; P211-L215 WeakPolarHBondContact O-CB 3.37Å; P211-L215 PolarHBondContact O-N 3.46Å; K213-L215 VanDerWaalsContact C-N 3.3Å; K213-L215 PolarHBondContact O-N 2.82Å; L215-M218 PolarHBondContact O-N 3.5Å; L215-Y219 WeakPolarHBondContact O-CB 3.41Å; L215-Y219 PolarHBondContact O-N 3.27Å; L215-M236 HydrophobicContact CD2-SD 4.06Å; L215-M236 HydrophobicContact CG-SD 3.99Å; L215-T239 HydrophobicContact CD2-CG2 3.91Å |
| 216 | N | 97.5 | Very high | 96.6 | Very high | 36 Ų | 36 | 65.2 Ų | 65.2 | 19% | 0.193 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -66.9 | -36.3 | -179.4 | -176.7 | 79.8 | 0 | 0 | 0 | 112.4 | Y212 K213 Y219 S220 M236 R240 | Y212-N216 WeakPolarHBondContact O-CB 3.32Å; Y212-N216 PolarHBondContact O-N 3.38Å; K213-N216 CarbonylContact O-C 3.51Å; K213-N216 PolarHBondContact O-N 2.93Å; K213-N216 VanDerWaalsContact O-N 3.09Å; N216-Y219 PolarHBondContact O-N 3.28Å; N216-S220 WeakPolarHBondContact O-CB 3.26Å; N216-S220 PolarHBondContact O-N 3.48Å; N216-S220 PolarHBondContact O-OG 2.85Å; N216-M236 HydrophobicContact CB-CE 3.71Å; N216-M236 WeakPolarHBondContact OD1-CE 3.37Å; N216-R240 PolarHBondContact OD1-NH2 3.4Å |
| 217 | D | 97.6 | Very high | 96.6 | Very high | 81 Ų | 81 | 59.1 Ų | 59.1 | 43% | 0.433 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -68.9 | -43 | 177.7 | -71.8 | -10.9 | 0 | 0 | 0 | 110.3 | K213 D214 S220 G221 | K213-D217 WeakPolarHBondContact CE-OD2 3.33Å; K213-D217 WeakPolarHBondContact O-CB 3.38Å; K213-D217 VanDerWaalsContact O-CG 3.29Å; K213-D217 PolarHBondContact O-N 2.8Å; D214-D217 PolarHBondContact O-N 3.38Å; D217-S220 PolarHBondContact O-N 2.96Å; D217-G221 PolarHBondContact O-N 3.49Å |
| 218 | M | 97.3 | Very high | 96.7 | Very high | 40 Ų | 40 | 57.5 Ų | 57.5 | 20% | 0.197 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -58.2 | -51 | 171 | 179.1 | 63.7 | -177.5 | 0 | 0 | 111.4 | D178 Y181 Y182 L185 D214 L215 S220 G221 M222 | D178-M218 HydrophobicContact CB-CE 4.24Å; Y181-M218 HydrophobicContact CD1-CE 3.81Å; Y181-M218 HydrophobicContact CD1-CG 4.39Å; Y181-M218 HydrophobicContact CD1-SD 3.8Å; Y181-M218 HydrophobicContact CE1-SD 4.01Å; Y182-M218 HydrophobicContact CD2-CG 4.27Å; L185-M218 HydrophobicContact CD1-CB 3.78Å; L185-M218 HydrophobicContact CD1-CG 4.09Å; D214-M218 WeakPolarHBondContact O-CB 3.34Å; D214-M218 PolarHBondContact O-N 2.89Å; L215-M218 PolarHBondContact O-N 3.5Å; M218-S220 VanDerWaalsContact C-N 3.33Å; M218-S220 PolarHBondContact O-N 3.41Å; M218-G221 PolarHBondContact O-N 3.49Å; M218-G221 VanDerWaalsContact O-N 3.14Å; M218-M222 HydrophobicContact CE-CG 4.04Å; M218-M222 HydrophobicContact CE-SD 3.74Å; M218-M222 HydrophobicContact CG-SD 4.41Å; M218-M222 WeakPolarHBondContact O-CG 3.38Å; M218-M222 PolarHBondContact O-N 3.16Å |
| 219 | Y | 98.3 | Very high | 96.8 | Very high | 17 Ų | 17 | 57.5 Ų | 57.5 | 7% | 0.067 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -55.9 | -47.1 | 177.1 | -179.5 | -85.3 | 0 | 0 | 0 | 111.7 | Y182 L215 N216 G221 M222 E223 L228 M236 | Y182-Y219 HydrophobicContact CE2-CD2 4.07Å; L215-Y219 WeakPolarHBondContact O-CB 3.41Å; L215-Y219 PolarHBondContact O-N 3.27Å; N216-Y219 PolarHBondContact O-N 3.28Å; Y219-G221 VanDerWaalsContact C-N 3.26Å; Y219-G221 PolarHBondContact O-N 2.88Å; Y219-M222 PolarHBondContact O-N 3.49Å; Y219-M222 VanDerWaalsContact O-N 3.15Å; Y219-E223 HydrophobicContact CE1-CB 4.36Å; Y219-E223 WeakPolarHBondContact O-CB 3.34Å; Y219-E223 PolarHBondContact O-N 3.46Å; Y219-L228 HydrophobicContact CD2-CD2 3.92Å; Y219-L228 HydrophobicContact CE1-CD1 4.08Å; Y219-L228 HydrophobicContact CE2-CD1 3.89Å; Y219-L228 HydrophobicContact CE2-CD2 3.76Å; Y219-M236 HydrophobicContact CD1-CG 4.14Å; Y219-M236 HydrophobicContact CD2-CB 3.48Å; Y219-M236 VanDerWaalsContact CD2-CB 3.48Å; Y219-M236 HydrophobicContact CD2-CG 3.51Å; Y219-M236 HydrophobicContact CD2-SD 4.35Å; Y219-M236 HydrophobicContact CE1-CG 4.4Å; Y219-M236 HydrophobicContact CE2-CB 3.42Å; Y219-M236 VanDerWaalsContact CE2-CB 3.42Å; Y219-M236 HydrophobicContact CE2-CG 3.76Å; Y219-M236 HydrophobicContact CG-CB 4.21Å; Y219-M236 HydrophobicContact CG-CG 3.71Å; Y219-M236 HydrophobicContact CG-SD 4.31Å |
| 220 | S | 97.6 | Very high | 96.9 | Very high | 29 Ų | 29 | 56.6 Ų | 56.6 | 20% | 0.203 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.9 | -31.9 | -179.4 | -56.4 | 0 | 0 | 0 | 0 | 112 | N216 D217 M218 K224 | N216-S220 WeakPolarHBondContact O-CB 3.26Å; N216-S220 PolarHBondContact O-N 3.48Å; N216-S220 PolarHBondContact O-OG 2.85Å; D217-S220 PolarHBondContact O-N 2.96Å; M218-S220 VanDerWaalsContact C-N 3.33Å; M218-S220 PolarHBondContact O-N 3.41Å; S220-K224 VanDerWaalsContact O-CG 3.3Å; S220-K224 WeakPolarHBondContact O-CG 3.48Å; S220-K224 PolarHBondContact O-N 3.31Å |
| 221 | G | 97.1 | Very high | 96.9 | Very high | 30 Ų | 30 | 51.1 Ų | 51.1 | 31% | 0.309 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -65.1 | -46.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | D217 M218 Y219 K224 N225 | D217-G221 PolarHBondContact O-N 3.49Å; M218-G221 PolarHBondContact O-N 3.49Å; M218-G221 VanDerWaalsContact O-N 3.14Å; Y219-G221 VanDerWaalsContact C-N 3.26Å; Y219-G221 PolarHBondContact O-N 2.88Å; G221-K224 PolarHBondContact O-N 3.5Å; G221-N225 PolarHBondContact O-N 3.42Å; G221-N225 PolarHBondContact O-ND2 3.22Å |
| 222 | M | 96.5 | Very high | 97 | Very high | 8 Ų | 8 | 50 Ų | 50 | 4% | 0.039 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.5 | -38.3 | 177.2 | -63.3 | -179.3 | 77.7 | 0 | 0 | 112.4 | D178 Y182 M218 Y219 N225 S226 T227 L228 L232 | D178-M222 HydrophobicContact CB-CE 4.48Å; Y182-M222 HydrophobicContact CD2-SD 4.34Å; M218-M222 HydrophobicContact CE-CG 4.04Å; M218-M222 HydrophobicContact CE-SD 3.74Å; M218-M222 HydrophobicContact CG-SD 4.41Å; M218-M222 WeakPolarHBondContact O-CG 3.38Å; M218-M222 PolarHBondContact O-N 3.16Å; Y219-M222 PolarHBondContact O-N 3.49Å; Y219-M222 VanDerWaalsContact O-N 3.15Å; M222-N225 CarbonylContact O-C 3.6Å; M222-N225 PolarHBondContact O-N 2.97Å; M222-S226 PolarHBondContact O-N 3.46Å; M222-T227 WeakPolarHBondContact CA-OG1 3.5Å; M222-T227 PolarHBondContact O-N 3.01Å; M222-T227 PolarHBondContact O-OG1 2.83Å; M222-L228 HydrophobicContact CB-CD2 3.66Å; M222-L228 HydrophobicContact CB-CG 4.2Å; M222-L232 HydrophobicContact CE-CD1 3.4Å; M222-L232 VanDerWaalsContact CE-CD1 3.4Å; M222-L232 HydrophobicContact SD-CD1 3.99Å |
| 223 | E | 96.5 | Very high | 97 | Very high | 100 Ų | 100 | 52.5 Ų | 52.5 | 47% | 0.467 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -59.5 | -48.3 | 175.7 | -173.3 | 172.4 | -141.6 | 0 | 0 | 111.3 | Y219 N225 S226 L228 | Y219-E223 HydrophobicContact CE1-CB 4.36Å; Y219-E223 WeakPolarHBondContact O-CB 3.34Å; Y219-E223 PolarHBondContact O-N 3.46Å; E223-N225 PolarHBondContact O-N 3.11Å; E223-S226 PolarHBondContact O-N 2.85Å; E223-L228 HydrophobicContact CB-CD1 3.77Å; E223-L228 HydrophobicContact CG-CD1 4.08Å |
| 224 | K | 96.4 | Very high | 97 | Very high | 173 Ų | 173 | 48.4 Ų | 48.4 | 75% | 0.752 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -60.2 | -35.9 | 176.3 | -73.5 | 171.8 | -175.4 | 176.5 | 0 | 112.5 | S220 G221 S226 | S220-K224 VanDerWaalsContact O-CG 3.3Å; S220-K224 WeakPolarHBondContact O-CG 3.48Å; S220-K224 PolarHBondContact O-N 3.31Å; G221-K224 PolarHBondContact O-N 3.5Å; K224-S226 VanDerWaalsContact C-N 3.28Å |
| 225 | N | 94.8 | Very high | 97 | Very high | 121 Ų | 121 | 45.5 Ų | 45.5 | 65% | 0.647 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -2.5 | 178.8 | -65.4 | -21.6 | 0 | 0 | 0 | 113.1 | G221 M222 E223 T227 | G221-N225 PolarHBondContact O-N 3.42Å; G221-N225 PolarHBondContact O-ND2 3.22Å; M222-N225 CarbonylContact O-C 3.6Å; M222-N225 PolarHBondContact O-N 2.97Å; E223-N225 PolarHBondContact O-N 3.11Å; N225-T227 HydrophobicContact CB-CG2 4.09Å; N225-T227 PolarHBondContact O-N 3.29Å |
| 226 | S | 94 | Very high | 97 | Very high | 89 Ų | 89 | 45.5 Ų | 45.5 | 62% | 0.622 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.1 | 34.4 | -175.8 | -55.7 | 0 | 0 | 0 | 0 | 113.6 | M222 E223 K224 | M222-S226 PolarHBondContact O-N 3.46Å; E223-S226 PolarHBondContact O-N 2.85Å; K224-S226 VanDerWaalsContact C-N 3.28Å |
| 227 | T | 94.9 | Very high | 97 | Very high | 32 Ų | 32 | 48.9 Ų | 48.9 | 20% | 0.196 | 26% | 0.264 | C | S | . | . | trans | -103 | 18 | -178.9 | 55.1 | 0 | 0 | 0 | 0 | 113.3 | Q166 M222 N225 | Q166-T227 WeakPolarHBondContact CB-O 3.38Å; M222-T227 WeakPolarHBondContact CA-OG1 3.5Å; M222-T227 PolarHBondContact O-N 3.01Å; M222-T227 PolarHBondContact O-OG1 2.83Å; N225-T227 HydrophobicContact CB-CG2 4.09Å; N225-T227 PolarHBondContact O-N 3.29Å | ||
| 228 | L | 96.7 | Very high | 96.9 | Very high | 12 Ų | 12 | 49.5 Ų | 49.5 | 6% | 0.063 | 27% | 0.265 | C | S | . | . | trans | -81.8 | 144.6 | 177 | -65.8 | 175 | 0 | 0 | 0 | 111.6 | N163 Y219 M222 E223 L232 E233 | N163-L228 PolarHBondContact ND2-O 3.45Å; Y219-L228 HydrophobicContact CD2-CD2 3.92Å; Y219-L228 HydrophobicContact CE1-CD1 4.08Å; Y219-L228 HydrophobicContact CE2-CD1 3.89Å; Y219-L228 HydrophobicContact CE2-CD2 3.76Å; M222-L228 HydrophobicContact CB-CD2 3.66Å; M222-L228 HydrophobicContact CB-CG 4.2Å; E223-L228 HydrophobicContact CB-CD1 3.77Å; E223-L228 HydrophobicContact CG-CD1 4.08Å; L228-L232 HydrophobicContact CD2-CB 4.2Å; L228-L232 HydrophobicContact CD2-CD1 4.39Å; L228-E233 HydrophobicContact CB-CG 4.22Å; L228-E233 HydrophobicContact CD1-CG 4.38Å | ||
| 229 | C | 97.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | trans | -118.7 | 168.5 | 163.5 | 67.8 | 0 | 0 | 0 | 0 | 110.3 | S162 N163 C167 D231 L232 E233 | S162-C229 WeakPolarHBondContact O-CB 3.18Å; N163-C229 WeakPolarHBondContact O-CB 3.43Å; C167-C229 HydrophobicContact CB-CB 3.81Å; C167-C229 WeakPolarHBondContact CB-SG 3.27Å; C167-C229 WeakPolarHBondContact SG-CB 3.47Å; C167-C229 CovalentContact SG-SG 2.01Å; C167-C229 PolarHBondContact SG-SG 3.21Å; C229-D231 PolarHBondContact O-N 2.98Å; C229-D231 VanDerWaalsContact O-N 3.15Å; C229-L232 PolarHBondContact O-N 3.46Å; C229-E233 PolarHBondContact O-N 3.49Å; C229-E233 VanDerWaalsContact O-N 3.1Å | ||
| 230 | I | 97.6 | Very high | 96.9 | Very high | 56 Ų | 56 | 50.7 Ų | 50.7 | 29% | 0.287 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -57 | -34.2 | -175.4 | -165.2 | 63.8 | 0 | 0 | 0 | 113.9 | V103 V105 S162 L232 E233 D234 | V103-I230 HydrophobicContact CG1-CG1 4.07Å; V103-I230 HydrophobicContact CG1-CG2 3.88Å; V105-I230 HydrophobicContact CG2-CG2 3.73Å; S162-I230 PolarHBondContact O-N 2.94Å; S162-I230 VanDerWaalsContact O-N 3.11Å; I230-L232 VanDerWaalsContact C-N 3.29Å; I230-L232 PolarHBondContact O-N 3.1Å; I230-E233 PolarHBondContact O-N 2.78Å; I230-D234 WeakPolarHBondContact O-CB 3.48Å; I230-D234 PolarHBondContact O-N 2.74Å |
| 231 | D | 97.4 | Very high | 96.8 | Very high | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.011 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.7 | -37.6 | 177.8 | -65.7 | 6.2 | 0 | 0 | 0 | 111.3 | R104 V105 C106 Q107 C229 S235 | R104-D231 VanDerWaalsContact C-OD2 3.26Å; R104-D231 WeakPolarHBondContact CA-OD2 3.4Å; V105-D231 PolarHBondContact N-OD1 3.15Å; V105-D231 PolarHBondContact N-OD2 3.15Å; C106-D231 WeakPolarHBondContact CA-OD2 3.32Å; C106-D231 WeakPolarHBondContact CB-OD2 3.3Å; C106-D231 PolarHBondContact N-OD1 3.36Å; C106-D231 PolarHBondContact N-OD2 2.8Å; Q107-D231 WeakPolarHBondContact CG-OD2 3.22Å; Q107-D231 PolarHBondContact N-OD2 3.42Å; C229-D231 PolarHBondContact O-N 2.98Å; C229-D231 VanDerWaalsContact O-N 3.15Å; D231-S235 WeakPolarHBondContact O-CB 3.48Å; D231-S235 PolarHBondContact O-N 3.07Å; D231-S235 PolarHBondContact O-OG 2.84Å |
| 232 | L | 97.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -77.5 | -40.7 | 179.7 | -55.2 | -165.9 | 0 | 0 | 0 | 111.2 | T179 Y182 M222 L228 C229 I230 S235 M236 | T179-L232 HydrophobicContact CG2-CD2 4.23Å; Y182-L232 HydrophobicContact CD1-CD1 4.42Å; Y182-L232 HydrophobicContact CD1-CD2 3.47Å; Y182-L232 VanDerWaalsContact CD1-CD2 3.47Å; Y182-L232 HydrophobicContact CD1-CG 4.39Å; Y182-L232 HydrophobicContact CE1-CB 4.35Å; Y182-L232 HydrophobicContact CE1-CD2 3.59Å; Y182-L232 HydrophobicContact CE1-CG 4.43Å; Y182-L232 HydrophobicContact CG-CD1 4.42Å; Y182-L232 HydrophobicContact CG-CD2 4.26Å; Y182-L232 PolarHBondContact OH-O 3.47Å; M222-L232 HydrophobicContact CE-CD1 3.4Å; M222-L232 VanDerWaalsContact CE-CD1 3.4Å; M222-L232 HydrophobicContact SD-CD1 3.99Å; L228-L232 HydrophobicContact CD2-CB 4.2Å; L228-L232 HydrophobicContact CD2-CD1 4.39Å; C229-L232 PolarHBondContact O-N 3.46Å; I230-L232 VanDerWaalsContact C-N 3.29Å; I230-L232 PolarHBondContact O-N 3.1Å; L232-S235 WeakPolarHBondContact CA-OG 3.26Å; L232-S235 PolarHBondContact O-OG 3.48Å; L232-M236 WeakPolarHBondContact O-CB 2.99Å; L232-M236 PolarHBondContact O-N 2.71Å |
| 233 | E | 97.7 | Very high | 96.7 | Very high | 84 Ų | 84 | 56.1 Ų | 56.1 | 39% | 0.393 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.5 | -47.9 | 175.7 | -67.1 | -179.4 | 171.9 | 0 | 0 | 111.8 | L228 C229 I230 M236 N237 | L228-E233 HydrophobicContact CB-CG 4.22Å; L228-E233 HydrophobicContact CD1-CG 4.38Å; C229-E233 PolarHBondContact O-N 3.49Å; C229-E233 VanDerWaalsContact O-N 3.1Å; I230-E233 PolarHBondContact O-N 2.78Å; E233-M236 PolarHBondContact O-N 3.47Å; E233-N237 WeakPolarHBondContact O-CB 3.25Å; E233-N237 PolarHBondContact O-N 3.37Å |
| 234 | D | 97.8 | Very high | 96.5 | Very high | 25 Ų | 25 | 53.4 Ų | 53.4 | 13% | 0.134 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.3 | -46.3 | 179.3 | -172.5 | 63.2 | 0 | 0 | 0 | 111.4 | V103 I230 M236 N237 M238 | V103-D234 HydrophobicContact CB-CB 3.74Å; V103-D234 HydrophobicContact CG2-CB 3.9Å; V103-D234 WeakPolarHBondContact CG2-OD2 3.44Å; V103-D234 PolarHBondContact N-OD2 2.96Å; I230-D234 WeakPolarHBondContact O-CB 3.48Å; I230-D234 PolarHBondContact O-N 2.74Å; D234-M236 PolarHBondContact O-N 3.27Å; D234-N237 PolarHBondContact O-N 3.36Å; D234-M238 WeakPolarHBondContact O-CB 3.25Å; D234-M238 WeakPolarHBondContact O-CG 3.03Å; D234-M238 PolarHBondContact O-N 3.24Å |
| 235 | S | 97.6 | Very high | 96.4 | Very high | 21 Ų | 21 | 53.1 Ų | 53.1 | 15% | 0.147 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62 | -41.8 | 178.4 | 62.7 | 0 | 0 | 0 | 0 | 112.2 | Y182 D231 L232 T239 | Y182-S235 WeakPolarHBondContact CE1-OG 3.31Å; Y182-S235 PolarHBondContact OH-OG 3.38Å; D231-S235 WeakPolarHBondContact O-CB 3.48Å; D231-S235 PolarHBondContact O-N 3.07Å; D231-S235 PolarHBondContact O-OG 2.84Å; L232-S235 WeakPolarHBondContact CA-OG 3.26Å; L232-S235 PolarHBondContact O-OG 3.48Å; S235-T239 WeakPolarHBondContact O-CB 3.42Å; S235-T239 PolarHBondContact O-N 3.29Å; S235-T239 PolarHBondContact O-OG1 2.93Å |
| 236 | M | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -68.8 | -41 | 176.5 | -166.9 | 61.6 | -167.2 | 0 | 0 | 111.6 | Y182 Y212 L215 N216 Y219 L232 E233 D234 T239 R240 | Y182-M236 WeakPolarHBondContact OH-CB 3.45Å; Y182-M236 PolarHBondContact OH-N 3.09Å; Y212-M236 HydrophobicContact CE2-CE 4.31Å; L215-M236 HydrophobicContact CD2-SD 4.06Å; L215-M236 HydrophobicContact CG-SD 3.99Å; N216-M236 HydrophobicContact CB-CE 3.71Å; N216-M236 WeakPolarHBondContact OD1-CE 3.37Å; Y219-M236 HydrophobicContact CD1-CG 4.14Å; Y219-M236 HydrophobicContact CD2-CB 3.48Å; Y219-M236 VanDerWaalsContact CD2-CB 3.48Å; Y219-M236 HydrophobicContact CD2-CG 3.51Å; Y219-M236 HydrophobicContact CD2-SD 4.35Å; Y219-M236 HydrophobicContact CE1-CG 4.4Å; Y219-M236 HydrophobicContact CE2-CB 3.42Å; Y219-M236 VanDerWaalsContact CE2-CB 3.42Å; Y219-M236 HydrophobicContact CE2-CG 3.76Å; Y219-M236 HydrophobicContact CG-CB 4.21Å; Y219-M236 HydrophobicContact CG-CG 3.71Å; Y219-M236 HydrophobicContact CG-SD 4.31Å; L232-M236 WeakPolarHBondContact O-CB 2.99Å; L232-M236 PolarHBondContact O-N 2.71Å; E233-M236 PolarHBondContact O-N 3.47Å; D234-M236 PolarHBondContact O-N 3.27Å; M236-T239 PolarHBondContact O-N 2.89Å; M236-R240 HydrophobicContact CE-CG 3.82Å; M236-R240 HydrophobicContact CG-CG 4.31Å; M236-R240 WeakPolarHBondContact O-CB 3.26Å; M236-R240 VanDerWaalsContact O-CG 3.32Å; M236-R240 WeakPolarHBondContact O-CG 3.4Å; M236-R240 PolarHBondContact O-N 2.92Å |
| 237 | N | 97.5 | Very high | 96.2 | Very high | 107 Ų | 107 | 48.4 Ų | 48.4 | 57% | 0.572 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -62.4 | -44.6 | 177.8 | -170.9 | 16.3 | 0 | 0 | 0 | 111.4 | E233 D234 T239 R240 K241 | E233-N237 WeakPolarHBondContact O-CB 3.25Å; E233-N237 PolarHBondContact O-N 3.37Å; D234-N237 PolarHBondContact O-N 3.36Å; N237-T239 VanDerWaalsContact C-N 3.34Å; N237-T239 PolarHBondContact O-N 3.42Å; N237-R240 PolarHBondContact O-N 3.25Å; N237-K241 WeakPolarHBondContact O-CB 3.49Å; N237-K241 PolarHBondContact O-N 3.05Å |
| 238 | M | 96.8 | Very high | 96.1 | Very high | 94 Ų | 94 | 49.5 Ų | 49.5 | 46% | 0.463 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -59.9 | -44.2 | 172.1 | -76.7 | -161.6 | 64 | 0 | 0 | 111.8 | P102 D234 K241 L242 | P102-M238 HydrophobicContact CB-SD 4.28Å; D234-M238 WeakPolarHBondContact O-CB 3.25Å; D234-M238 WeakPolarHBondContact O-CG 3.03Å; D234-M238 PolarHBondContact O-N 3.24Å; M238-K241 WeakPolarHBondContact O-CB 3.16Å; M238-K241 PolarHBondContact O-N 3.46Å; M238-L242 WeakPolarHBondContact O-CG 3.28Å; M238-L242 PolarHBondContact O-N 3.04Å |
| 239 | T | 97.4 | Very high | 95.9 | Very high | 3 Ų | 3 | 49.8 Ų | 49.8 | 2% | 0.018 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.8 | -43.7 | -179.7 | -57.9 | 0 | 0 | 0 | 0 | 111.6 | L186 T189 F193 Y212 L215 S235 M236 N237 K241 L242 W243 | L186-T239 WeakPolarHBondContact CD1-OG1 3.46Å; T189-T239 HydrophobicContact CG2-CG2 4.16Å; F193-T239 HydrophobicContact CE2-CG2 3.93Å; F193-T239 HydrophobicContact CZ-CG2 4.33Å; Y212-T239 HydrophobicContact CD2-CG2 4.18Å; Y212-T239 HydrophobicContact CE2-CG2 4.25Å; L215-T239 HydrophobicContact CD2-CG2 3.91Å; S235-T239 WeakPolarHBondContact O-CB 3.42Å; S235-T239 PolarHBondContact O-N 3.29Å; S235-T239 PolarHBondContact O-OG1 2.93Å; M236-T239 PolarHBondContact O-N 2.89Å; N237-T239 VanDerWaalsContact C-N 3.34Å; N237-T239 PolarHBondContact O-N 3.42Å; T239-K241 VanDerWaalsContact C-N 3.34Å; T239-K241 PolarHBondContact O-N 2.86Å; T239-L242 PolarHBondContact O-N 3.27Å; T239-W243 WeakPolarHBondContact O-CB 3.11Å; T239-W243 PolarHBondContact O-N 3.09Å |
| 240 | R | 97 | Very high | 95.3 | Very high | 78 Ų | 78 | 53.7 Ų | 53.7 | 29% | 0.294 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.2 | -40.1 | 173.9 | -74.3 | 177 | 172 | 166.4 | -0.9 | 111.7 | N216 M236 N237 W243 S244 | N216-R240 PolarHBondContact OD1-NH2 3.4Å; M236-R240 HydrophobicContact CE-CG 3.82Å; M236-R240 HydrophobicContact CG-CG 4.31Å; M236-R240 WeakPolarHBondContact O-CB 3.26Å; M236-R240 VanDerWaalsContact O-CG 3.32Å; M236-R240 WeakPolarHBondContact O-CG 3.4Å; M236-R240 PolarHBondContact O-N 2.92Å; N237-R240 PolarHBondContact O-N 3.25Å; R240-W243 PolarHBondContact O-N 3.1Å; R240-S244 WeakPolarHBondContact O-CB 3.31Å; R240-S244 PolarHBondContact O-N 3.25Å; R240-S244 PolarHBondContact O-OG 3.49Å |
| 241 | K | 95.9 | Very high | 94.3 | Very high | 121 Ų | 121 | 60.9 Ų | 60.9 | 53% | 0.526 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.1 | -44.6 | 175 | -176.5 | 177.5 | 178.1 | -178.7 | 0 | 111.2 | N237 M238 T239 K245 N246 | N237-K241 WeakPolarHBondContact O-CB 3.49Å; N237-K241 PolarHBondContact O-N 3.05Å; M238-K241 WeakPolarHBondContact O-CB 3.16Å; M238-K241 PolarHBondContact O-N 3.46Å; T239-K241 VanDerWaalsContact C-N 3.34Å; T239-K241 PolarHBondContact O-N 2.86Å; K241-K245 HydrophobicContact CG-CB 4.48Å; K241-K245 HydrophobicContact CG-CD 4.38Å; K241-K245 WeakPolarHBondContact O-CA 3.31Å; K241-K245 WeakPolarHBondContact O-CB 3.05Å; K241-K245 PolarHBondContact O-N 3.43Å; K241-N246 PolarHBondContact O-N 2.98Å |
| 242 | L | 95.2 | Very high | 92.8 | Very high | 49 Ų | 49 | 65.6 Ų | 65.6 | 26% | 0.257 | 34% | 0.342 | S | S | . | . | I | π-helix | trans | -59.8 | -51.8 | 174.8 | -72.7 | 172.8 | 0 | 0 | 0 | 110.9 | I190 F193 M238 T239 N246 F247 | I190-L242 HydrophobicContact CD1-CD1 4.44Å; F193-L242 HydrophobicContact CE2-CB 4.33Å; M238-L242 WeakPolarHBondContact O-CG 3.28Å; M238-L242 PolarHBondContact O-N 3.04Å; T239-L242 PolarHBondContact O-N 3.27Å; L242-N246 HydrophobicContact CD2-CB 4.25Å; L242-N246 WeakPolarHBondContact O-CB 3.33Å; L242-N246 PolarHBondContact O-N 3.47Å; L242-F247 HydrophobicContact CB-CD2 4.39Å; L242-F247 HydrophobicContact CB-CE2 3.99Å; L242-F247 WeakPolarHBondContact O-CD2 3.33Å; L242-F247 WeakPolarHBondContact O-CG 3.41Å; L242-F247 PolarHBondContact O-N 2.99Å |
| 243 | W | 95.7 | Very high | 91.3 | Very high | 11 Ų | 11 | 73.5 Ų | 73.5 | 4% | 0.042 | 38% | 0.378 | C | S | . | . | I | π-helix | trans | -59.1 | -50.5 | -178.5 | -177.6 | -100.8 | 0 | 0 | 0 | 113.3 | F193 L204 C205 C208 I209 Y212 T239 R240 G248 C249 | F193-W243 AromaticContact CE1-CE3 3.52Å; F193-W243 HydrophobicContact CE1-CE3 3.52Å; F193-W243 AromaticContact CE1-CZ3 3.73Å; F193-W243 HydrophobicContact CE1-CZ3 3.73Å; F193-W243 HydrophobicContact CZ-CB 4.44Å; F193-W243 HydrophobicContact CZ-CD2 4.45Å; F193-W243 AromaticContact CZ-CE3 3.52Å; F193-W243 HydrophobicContact CZ-CE3 3.52Å; F193-W243 HydrophobicContact CZ-CZ3 4.19Å; L204-W243 HydrophobicContact CD2-CZ3 4.24Å; C205-W243 HydrophobicContact CB-CH2 4.45Å; C208-W243 HydrophobicContact CB-CZ3 4.16Å; I209-W243 HydrophobicContact CB-CH2 4.1Å; I209-W243 HydrophobicContact CB-CZ2 4.47Å; I209-W243 HydrophobicContact CD1-CH2 4.03Å; I209-W243 HydrophobicContact CD1-CZ2 3.54Å; Y212-W243 AromaticContact CD1-CD2 3.81Å; Y212-W243 HydrophobicContact CD1-CD2 3.81Å; Y212-W243 AromaticContact CD1-CE2 3.6Å; Y212-W243 HydrophobicContact CD1-CE3 4.34Å; Y212-W243 HydrophobicContact CD1-CG 4.17Å; Y212-W243 HydrophobicContact CD1-CH2 4.45Å; Y212-W243 AromaticContact CD1-CZ2 3.97Å; Y212-W243 HydrophobicContact CD1-CZ2 3.97Å; Y212-W243 AromaticContact CD1-NE1 3.86Å; Y212-W243 HydrophobicContact CD2-CB 4.17Å; Y212-W243 AromaticContact CD2-CD2 3.96Å; Y212-W243 HydrophobicContact CD2-CD2 3.96Å; Y212-W243 HydrophobicContact CD2-CE3 4.15Å; Y212-W243 AromaticContact CD2-CG 3.99Å; Y212-W243 HydrophobicContact CD2-CG 3.99Å; Y212-W243 AromaticContact CE1-CD1 3.55Å; Y212-W243 AromaticContact CE1-CD2 3.96Å; Y212-W243 HydrophobicContact CE1-CD2 3.96Å; Y212-W243 AromaticContact CE1-CE2 3.74Å; Y212-W243 AromaticContact CE1-CG 3.85Å; Y212-W243 HydrophobicContact CE1-CG 3.85Å; Y212-W243 HydrophobicContact CE1-CZ2 4.46Å; Y212-W243 AromaticContact CE1-NE1 3.48Å; Y212-W243 HydrophobicContact CE2-CB 3.67Å; Y212-W243 HydrophobicContact CE2-CD2 4.09Å; Y212-W243 AromaticContact CE2-CG 3.64Å; Y212-W243 HydrophobicContact CE2-CG 3.64Å; Y212-W243 AromaticContact CG-CD2 3.8Å; Y212-W243 HydrophobicContact CG-CD2 3.8Å; Y212-W243 AromaticContact CG-CE3 3.95Å; Y212-W243 HydrophobicContact CG-CE3 3.95Å; Y212-W243 HydrophobicContact CG-CG 4.24Å; Y212-W243 HydrophobicContact CG-CZ2 4.44Å; Y212-W243 HydrophobicContact CG-CZ3 4.3Å; Y212-W243 AromaticContact CZ-CD1 3.45Å; Y212-W243 VanDerWaalsContact CZ-CD1 3.45Å; Y212-W243 AromaticContact CZ-CG 3.56Å; Y212-W243 AromaticContact CZ-NE1 3.92Å; T239-W243 WeakPolarHBondContact O-CB 3.11Å; T239-W243 PolarHBondContact O-N 3.09Å; R240-W243 PolarHBondContact O-N 3.1Å; W243-G248 PolarHBondContact O-N 3.27Å; W243-C249 HydrophobicContact CD2-CB 3.6Å; W243-C249 HydrophobicContact CE3-CB 3.96Å; W243-C249 HydrophobicContact CG-CB 4.15Å; W243-C249 HydrophobicContact CH2-CB 3.85Å; W243-C249 HydrophobicContact CZ2-CB 3.43Å; W243-C249 VanDerWaalsContact CZ2-CB 3.43Å; W243-C249 HydrophobicContact CZ3-CB 4.09Å; W243-C249 WeakPolarHBondContact O-CB 3.06Å; W243-C249 PolarHBondContact O-N 3.3Å |
| 244 | S | 94.1 | Very high | 89.5 | Confident | 43 Ų | 43 | 72.6 Ų | 72.6 | 30% | 0.301 | 39% | 0.391 | S | S | . | . | I | π-helix | trans | -82.8 | -54.3 | -174.2 | 59.3 | 0 | 0 | 0 | 0 | 113 | R240 G248 | R240-S244 WeakPolarHBondContact O-CB 3.31Å; R240-S244 PolarHBondContact O-N 3.25Å; R240-S244 PolarHBondContact O-OG 3.49Å; S244-G248 WeakPolarHBondContact O-CA 3.41Å; S244-G248 PolarHBondContact O-N 3.33Å |
| 245 | K | 92.8 | Very high | 88.3 | Confident | 167 Ų | 167 | 77.7 Ų | 77.7 | 73% | 0.726 | 41% | 0.414 | S | S | * | . | I | π-helix | trans | -88.4 | -42.8 | -169.7 | -64.1 | -170.8 | 176.6 | -176.4 | 0 | 112.8 | K241 | K241-K245 HydrophobicContact CG-CB 4.48Å; K241-K245 HydrophobicContact CG-CD 4.38Å; K241-K245 WeakPolarHBondContact O-CA 3.31Å; K241-K245 WeakPolarHBondContact O-CB 3.05Å; K241-K245 PolarHBondContact O-N 3.43Å |
| 246 | N | 92.8 | Very high | 87.4 | Confident | 88 Ų | 88 | 81 Ų | 81 | 47% | 0.471 | 43% | 0.434 | S | S | . | . | I | π-helix | trans | -80.2 | -44.3 | -176.3 | -67 | 38.5 | 0 | 0 | 0 | 111.5 | K241 L242 | K241-N246 PolarHBondContact O-N 2.98Å; L242-N246 HydrophobicContact CD2-CB 4.25Å; L242-N246 WeakPolarHBondContact O-CB 3.33Å; L242-N246 PolarHBondContact O-N 3.47Å |
| 247 | F | 93.3 | Very high | 86.8 | Confident | 24 Ų | 24 | 87.2 Ų | 87.2 | 11% | 0.105 | 47% | 0.466 | C | S | . | . | S | Bend | trans | -95.6 | -17.2 | -177.7 | -55.5 | -44.1 | 0 | 0 | 0 | 114 | F193 L204 L242 C249 | F193-F247 HydrophobicContact CB-CE2 4.02Å; F193-F247 HydrophobicContact CB-CZ 4.31Å; F193-F247 HydrophobicContact CD1-CE2 4.38Å; F193-F247 AromaticContact CD2-CE2 3.7Å; F193-F247 HydrophobicContact CD2-CE2 3.7Å; F193-F247 HydrophobicContact CE2-CE2 4.2Å; F193-F247 AromaticContact CG-CE2 3.79Å; F193-F247 HydrophobicContact CG-CE2 3.79Å; L204-F247 HydrophobicContact CD1-CD1 4Å; L204-F247 HydrophobicContact CD1-CD2 4.14Å; L204-F247 HydrophobicContact CD1-CE1 3.96Å; L204-F247 HydrophobicContact CD1-CE2 4.1Å; L204-F247 HydrophobicContact CD1-CG 4.1Å; L204-F247 HydrophobicContact CD1-CZ 4.01Å; L204-F247 HydrophobicContact CD2-CB 4.22Å; L204-F247 HydrophobicContact CD2-CD2 3.8Å; L204-F247 HydrophobicContact CD2-CE2 4.34Å; L204-F247 HydrophobicContact CD2-CG 4.01Å; L242-F247 HydrophobicContact CB-CD2 4.39Å; L242-F247 HydrophobicContact CB-CE2 3.99Å; L242-F247 WeakPolarHBondContact O-CD2 3.33Å; L242-F247 WeakPolarHBondContact O-CG 3.41Å; L242-F247 PolarHBondContact O-N 2.99Å; F247-C249 VanDerWaalsContact C-N 3.29Å; F247-C249 VanDerWaalsContact CB-SG 3.6Å; F247-C249 PolarHBondContact O-N 2.96Å |
| 248 | G | 92.2 | Very high | 86.4 | Confident | 54 Ų | 54 | 85.2 Ų | 85.2 | 56% | 0.557 | 46% | 0.459 | S | S | * | . | trans | 71.1 | 22.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | W243 S244 S250 | W243-G248 PolarHBondContact O-N 3.27Å; S244-G248 WeakPolarHBondContact O-CA 3.41Å; S244-G248 PolarHBondContact O-N 3.33Å; G248-S250 PolarHBondContact O-N 3.37Å | ||
| 249 | C | 92.1 | Very high | 86.1 | Confident | 18 Ų | 18 | 84.8 Ų | 84.8 | 12% | 0.122 | 46% | 0.461 | C | S | . | . | trans | -81 | 0.7 | -173.6 | -60.5 | 0 | 0 | 0 | 0 | 114.3 | C205 W243 F247 Y251 | C205-C249 WeakPolarHBondContact CA-SG 3.09Å; C205-C249 HydrophobicContact CB-CB 3.68Å; C205-C249 WeakPolarHBondContact CB-SG 3.2Å; C205-C249 WeakPolarHBondContact SG-CA 3.43Å; C205-C249 WeakPolarHBondContact SG-CB 3.45Å; C205-C249 CovalentContact SG-SG 2.03Å; C205-C249 PolarHBondContact SG-SG 2.04Å; W243-C249 HydrophobicContact CD2-CB 3.6Å; W243-C249 HydrophobicContact CE3-CB 3.96Å; W243-C249 HydrophobicContact CG-CB 4.15Å; W243-C249 HydrophobicContact CH2-CB 3.85Å; W243-C249 HydrophobicContact CZ2-CB 3.43Å; W243-C249 VanDerWaalsContact CZ2-CB 3.43Å; W243-C249 HydrophobicContact CZ3-CB 4.09Å; W243-C249 WeakPolarHBondContact O-CB 3.06Å; W243-C249 PolarHBondContact O-N 3.3Å; F247-C249 VanDerWaalsContact C-N 3.29Å; F247-C249 VanDerWaalsContact CB-SG 3.6Å; F247-C249 PolarHBondContact O-N 2.96Å; C249-Y251 PolarHBondContact O-N 2.95Å | ||
| 250 | S | 85.8 | Confident | 85.8 | Confident | 83 Ų | 83 | 90.2 Ų | 90.2 | 58% | 0.58 | 49% | 0.489 | S | S | * | . | trans | -83.8 | 113 | 178.3 | -161.8 | 0 | 0 | 0 | 0 | 109.7 | G248 | G248-S250 PolarHBondContact O-N 3.37Š| ||
| 251 | Y | 75.3 | Confident | 85.7 | Confident | 206 Ų | 206 | 89.3 Ų | 89.3 | 81% | 0.808 | 50% | 0.498 | S | S | * | . | trans | -106.8 | 123.3 | 175.4 | -149.8 | -93 | 0 | 0 | 0 | 109.2 | C249 H253 | C249-Y251 PolarHBondContact O-N 2.95Å; Y251-H253 PolarHBondContact O-N 3.08Å | ||
| 252 | P | 67.6 | Low | 85.7 | Confident | 102 Ų | 102 | 87.7 Ų | 87.7 | 66% | 0.662 | 50% | 0.498 | S | S | * | . | trans | -62.9 | 130.9 | 173.6 | 25.2 | -30.8 | 0 | 0 | 0 | 109.3 | G254 | P252-G254 PolarHBondContact O-N 3.04Š| ||
| 253 | H | 64.3 | Low | 85.7 | Confident | 165 Ų | 165 | 88.3 Ų | 88.3 | 76% | 0.764 | 51% | 0.506 | S | S | * | . | trans | -62.8 | 137.8 | 174.3 | -72.2 | -68.7 | 0 | 0 | 0 | 110 | Y251 E255 | Y251-H253 PolarHBondContact O-N 3.08Å; H253-E255 HydrophobicContact CB-CG 4.32Å; H253-E255 PolarHBondContact O-N 3.43Å | ||
| 254 | G | 61.3 | Low | 85.7 | Confident | 65 Ų | 65 | 90.2 Ų | 90.2 | 67% | 0.67 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -71.8 | 42.2 | -177 | 0 | 0 | 0 | 0 | 0 | 114.9 | P252 T256 | P252-G254 PolarHBondContact O-N 3.04Å; G254-T256 PolarHBondContact O-N 3.42Å |
| 255 | E | 71.9 | Confident | 85.8 | Confident | 132 Ų | 132 | 94.1 Ų | 94.1 | 62% | 0.617 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -0.7 | 175.2 | -65.1 | -77.6 | 154.6 | 0 | 0 | 111.8 | H253 I257 P258 V259 | H253-E255 HydrophobicContact CB-CG 4.32Å; H253-E255 PolarHBondContact O-N 3.43Å; E255-I257 PolarHBondContact O-N 3.21Å; E255-P258 VanDerWaalsContact O-CD 3.3Å; E255-P258 WeakPolarHBondContact O-CD 3.42Å; E255-P258 WeakPolarHBondContact O-CG 3.44Å; E255-V259 WeakPolarHBondContact O-CB 3.29Å; E255-V259 WeakPolarHBondContact O-CG2 3.3Å; E255-V259 PolarHBondContact O-N 3.33Å |
| 256 | T | 79.7 | Confident | 86 | Confident | 91 Ų | 91 | 91.6 Ų | 91.6 | 56% | 0.558 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.7 | -39.2 | -177.5 | 53 | 0 | 0 | 0 | 0 | 112.3 | G254 V259 I260 | G254-T256 PolarHBondContact O-N 3.42Å; T256-V259 PolarHBondContact O-N 3.43Å; T256-I260 WeakPolarHBondContact O-CB 3.38Å; T256-I260 WeakPolarHBondContact O-CD1 3.23Å; T256-I260 WeakPolarHBondContact O-CG1 3.39Å; T256-I260 PolarHBondContact O-N 2.93Å |
| 257 | I | 85.2 | Confident | 86.2 | Confident | 130 Ų | 130 | 93.5 Ų | 93.5 | 67% | 0.667 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.1 | -55.2 | -177.5 | -58.5 | 178.9 | 0 | 0 | 0 | 112.4 | E255 V259 I260 A261 | E255-I257 PolarHBondContact O-N 3.21Å; I257-V259 VanDerWaalsContact C-N 3.31Å; I257-V259 PolarHBondContact O-N 3.37Å; I257-I260 PolarHBondContact O-N 3.31Å; I257-A261 WeakPolarHBondContact O-CB 3.23Å; I257-A261 PolarHBondContact O-N 3.29Å |
| 258 | P | 89.1 | Confident | 86.2 | Confident | 66 Ų | 66 | 97.5 Ų | 97.5 | 43% | 0.429 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63.2 | -37.8 | 178.8 | 22.8 | -32.7 | 0 | 0 | 0 | 112.3 | E255 A261 V262 | E255-P258 VanDerWaalsContact O-CD 3.3Å; E255-P258 WeakPolarHBondContact O-CD 3.42Å; E255-P258 WeakPolarHBondContact O-CG 3.44Å; P258-A261 PolarHBondContact O-N 2.95Å; P258-V262 WeakPolarHBondContact O-CG2 3.31Å; P258-V262 PolarHBondContact O-N 3.22Å |
| 259 | V | 90.6 | Very high | 86.4 | Confident | 85 Ų | 85 | 98.5 Ų | 98.5 | 52% | 0.515 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.6 | -45.3 | 177.6 | 172.4 | 0 | 0 | 0 | 0 | 111.4 | E255 T256 I257 S263 | E255-V259 WeakPolarHBondContact O-CB 3.29Å; E255-V259 WeakPolarHBondContact O-CG2 3.3Å; E255-V259 PolarHBondContact O-N 3.33Å; T256-V259 PolarHBondContact O-N 3.43Å; I257-V259 VanDerWaalsContact C-N 3.31Å; I257-V259 PolarHBondContact O-N 3.37Å; V259-S263 VanDerWaalsContact O-CB 3.25Å; V259-S263 WeakPolarHBondContact O-CB 3.35Å; V259-S263 PolarHBondContact O-N 3.33Å; V259-S263 PolarHBondContact O-OG 3.23Å |
| 260 | I | 90.9 | Very high | 86.5 | Confident | 116 Ų | 116 | 100.8 Ų | 100.8 | 60% | 0.595 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -63.2 | -43.8 | 176.9 | -70.1 | 164.8 | 0 | 0 | 0 | 110.6 | T256 I257 S263 S264 | T256-I260 WeakPolarHBondContact O-CB 3.38Å; T256-I260 WeakPolarHBondContact O-CD1 3.23Å; T256-I260 WeakPolarHBondContact O-CG1 3.39Å; T256-I260 PolarHBondContact O-N 2.93Å; I257-I260 PolarHBondContact O-N 3.31Å; I260-S263 PolarHBondContact O-N 3.28Å; I260-S264 WeakPolarHBondContact O-CB 3.25Å; I260-S264 PolarHBondContact O-N 3.3Å |
| 261 | A | 93.9 | Very high | 86.9 | Confident | 59 Ų | 59 | 100.9 Ų | 100.9 | 49% | 0.488 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.7 | -47.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | I257 P258 S264 F265 | I257-A261 WeakPolarHBondContact O-CB 3.23Å; I257-A261 PolarHBondContact O-N 3.29Å; P258-A261 PolarHBondContact O-N 2.95Å; A261-S264 PolarHBondContact O-N 2.04Å; A261-F265 PolarHBondContact O-N 3.37Å |
| 262 | V | 95.9 | Very high | 87.8 | Confident | 88 Ų | 88 | 96 Ų | 96 | 53% | 0.533 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.7 | -44.3 | 178.6 | 173.5 | 0 | 0 | 0 | 0 | 111 | P258 S264 F265 M266 | P258-V262 WeakPolarHBondContact O-CG2 3.31Å; P258-V262 PolarHBondContact O-N 3.22Å; V262-S264 PolarHBondContact O-N 2.9Å; V262-F265 PolarHBondContact O-N 3.02Å; V262-M266 WeakPolarHBondContact O-CG 3.26Å; V262-M266 PolarHBondContact O-N 2.92Å |
| 263 | S | 95.6 | Very high | 89.2 | Confident | 61 Ų | 61 | 97.1 Ų | 97.1 | 43% | 0.427 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.4 | -43.8 | 179 | -57.3 | 0 | 0 | 0 | 0 | 111.6 | V259 I260 M266 L267 | V259-S263 VanDerWaalsContact O-CB 3.25Å; V259-S263 WeakPolarHBondContact O-CB 3.35Å; V259-S263 PolarHBondContact O-N 3.33Å; V259-S263 PolarHBondContact O-OG 3.23Å; I260-S263 PolarHBondContact O-N 3.28Å; S263-M266 PolarHBondContact O-N 3.42Å; S263-L267 WeakPolarHBondContact O-CG 3.49Å; S263-L267 PolarHBondContact O-N 3.33Å; S263-L267 VanDerWaalsContact O-N 3.15Å |
| 264 | S | 95.4 | Very high | 90.6 | Very high | 51 Ų | 51 | 97.4 Ų | 97.4 | 36% | 0.357 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.7 | -48.5 | 176.5 | 180 | 0 | 0 | 0 | 0 | 111.8 | I260 A261 V262 M266 L267 F268 | I260-S264 WeakPolarHBondContact O-CB 3.25Å; I260-S264 PolarHBondContact O-N 3.3Å; A261-S264 PolarHBondContact O-N 2.04Å; V262-S264 PolarHBondContact O-N 2.9Å; S264-M266 VanDerWaalsContact C-N 3.34Å; S264-M266 PolarHBondContact O-N 3.36Å; S264-L267 PolarHBondContact O-N 2.87Å; S264-L267 VanDerWaalsContact O-N 3.12Å; S264-F268 WeakPolarHBondContact O-CD2 3.46Å; S264-F268 PolarHBondContact O-N 3.45Å; S264-F268 VanDerWaalsContact O-N 3.15Å; S264-F268 WeakPolarHBondContact OG-CE2 3.32Å |
| 265 | F | 96.6 | Very high | 92.1 | Very high | 125 Ų | 125 | 99.2 Ų | 99.2 | 55% | 0.548 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -57.7 | -46 | 177.9 | -179.9 | -103.2 | 0 | 0 | 0 | 112.2 | A261 V262 L267 F268 L269 | A261-F265 PolarHBondContact O-N 3.37Å; V262-F265 PolarHBondContact O-N 3.02Å; F265-L267 VanDerWaalsContact C-N 3.27Å; F265-L267 PolarHBondContact O-N 3.34Å; F265-F268 PolarHBondContact O-N 2.98Å; F265-F268 VanDerWaalsContact O-N 3.16Å; F265-L269 HydrophobicContact CD1-CD1 4.13Å; F265-L269 HydrophobicContact CD1-CG 4.39Å; F265-L269 HydrophobicContact CE1-CD1 3.76Å; F265-L269 HydrophobicContact CE1-CD2 4.07Å; F265-L269 HydrophobicContact CE1-CG 4.07Å; F265-L269 HydrophobicContact CE2-CD2 4.34Å; F265-L269 HydrophobicContact CZ-CD1 4.37Å; F265-L269 HydrophobicContact CZ-CD2 3.82Å; F265-L269 HydrophobicContact CZ-CG 4.28Å; F265-L269 WeakPolarHBondContact O-CG 3.43Å; F265-L269 PolarHBondContact O-N 3.3Å |
| 266 | M | 96.5 | Very high | 93 | Very high | 115 Ų | 115 | 95.6 Ų | 95.6 | 57% | 0.567 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.6 | -33.3 | 178 | -69.8 | -63.3 | 178.2 | 0 | 0 | 113 | V262 S263 S264 L269 P270 | V262-M266 WeakPolarHBondContact O-CG 3.26Å; V262-M266 PolarHBondContact O-N 2.92Å; S263-M266 PolarHBondContact O-N 3.42Å; S264-M266 VanDerWaalsContact C-N 3.34Å; S264-M266 PolarHBondContact O-N 3.36Å; M266-L269 HydrophobicContact SD-CD1 3.89Å; M266-P270 VanDerWaalsContact O-CD 3.23Å; M266-P270 WeakPolarHBondContact O-CD 3.38Å |
| 267 | L | 96.3 | Very high | 93.5 | Very high | 128 Ų | 128 | 93.8 Ų | 93.8 | 67% | 0.67 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -72.7 | -30.2 | 176 | -72.2 | 170.9 | 0 | 0 | 0 | 113.5 | S263 S264 F265 P270 | S263-L267 WeakPolarHBondContact O-CG 3.49Å; S263-L267 PolarHBondContact O-N 3.33Å; S263-L267 VanDerWaalsContact O-N 3.15Å; S264-L267 PolarHBondContact O-N 2.87Å; S264-L267 VanDerWaalsContact O-N 3.12Å; F265-L267 VanDerWaalsContact C-N 3.27Å; F265-L267 PolarHBondContact O-N 3.34Å; L267-P270 WeakPolarHBondContact O-CD 3.41Å |
| 268 | F | 95.1 | Very high | 93.6 | Very high | 108 Ų | 108 | 94 Ų | 94 | 47% | 0.474 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -80.7 | -24.4 | 178.9 | -76.3 | -67.2 | 0 | 0 | 0 | 113.7 | S264 F265 I271 I272 | S264-F268 WeakPolarHBondContact O-CD2 3.46Å; S264-F268 PolarHBondContact O-N 3.45Å; S264-F268 VanDerWaalsContact O-N 3.15Å; S264-F268 WeakPolarHBondContact OG-CE2 3.32Å; F265-F268 PolarHBondContact O-N 2.98Å; F265-F268 VanDerWaalsContact O-N 3.16Å; F268-I271 HydrophobicContact CD1-CD1 4.1Å; F268-I271 HydrophobicContact CE1-CD1 4.49Å; F268-I271 PolarHBondContact O-N 3.01Å; F268-I271 VanDerWaalsContact O-N 3.16Å; F268-I272 HydrophobicContact CB-CD1 4.36Å; F268-I272 WeakPolarHBondContact O-CG1 3.07Å; F268-I272 PolarHBondContact O-N 3.48Å |
| 269 | L | 95 | Very high | 93.5 | Very high | 75 Ų | 75 | 96.5 Ų | 96.5 | 39% | 0.393 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -55.8 | -47.6 | -179.9 | -73.3 | 174.5 | 0 | 0 | 0 | 113.6 | F265 M266 I271 I272 F273 | F265-L269 HydrophobicContact CD1-CD1 4.13Å; F265-L269 HydrophobicContact CD1-CG 4.39Å; F265-L269 HydrophobicContact CE1-CD1 3.76Å; F265-L269 HydrophobicContact CE1-CD2 4.07Å; F265-L269 HydrophobicContact CE1-CG 4.07Å; F265-L269 HydrophobicContact CE2-CD2 4.34Å; F265-L269 HydrophobicContact CZ-CD1 4.37Å; F265-L269 HydrophobicContact CZ-CD2 3.82Å; F265-L269 HydrophobicContact CZ-CG 4.28Å; F265-L269 WeakPolarHBondContact O-CG 3.43Å; F265-L269 PolarHBondContact O-N 3.3Å; M266-L269 HydrophobicContact SD-CD1 3.89Å; L269-I271 VanDerWaalsContact C-N 3.35Å; L269-I271 PolarHBondContact O-N 3.25Å; L269-I272 PolarHBondContact O-N 3.34Å; L269-F273 WeakPolarHBondContact O-CB 3.42Å; L269-F273 PolarHBondContact O-N 2.81Å |
| 270 | P | 94.6 | Very high | 93.1 | Very high | 66 Ų | 66 | 99.1 Ų | 99.1 | 43% | 0.429 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.9 | -41 | 175.2 | -23.8 | 33 | 0 | 0 | 0 | 113.1 | M266 L267 F273 Y274 | M266-P270 VanDerWaalsContact O-CD 3.23Å; M266-P270 WeakPolarHBondContact O-CD 3.38Å; L267-P270 WeakPolarHBondContact O-CD 3.41Å; P270-F273 PolarHBondContact O-N 3.36Å; P270-Y274 WeakPolarHBondContact O-CD2 3.03Å; P270-Y274 PolarHBondContact O-N 3.04Å |
| 271 | I | 94.7 | Very high | 92.3 | Very high | 84 Ų | 84 | 97.4 Ų | 97.4 | 43% | 0.431 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.7 | -48.8 | -179.7 | -61.6 | 172.1 | 0 | 0 | 0 | 109.6 | F268 L269 F273 Y274 L275 | F268-I271 HydrophobicContact CD1-CD1 4.1Å; F268-I271 HydrophobicContact CE1-CD1 4.49Å; F268-I271 PolarHBondContact O-N 3.01Å; F268-I271 VanDerWaalsContact O-N 3.16Å; L269-I271 VanDerWaalsContact C-N 3.35Å; L269-I271 PolarHBondContact O-N 3.25Å; I271-F273 VanDerWaalsContact C-N 3.33Å; I271-F273 PolarHBondContact O-N 3.21Å; I271-Y274 PolarHBondContact O-N 3.36Å; I271-L275 HydrophobicContact CG2-CD1 3.84Å; I271-L275 HydrophobicContact CG2-CG 4.41Å; I271-L275 WeakPolarHBondContact O-CB 3.27Å; I271-L275 VanDerWaalsContact O-CG 3.29Å; I271-L275 WeakPolarHBondContact O-CG 3.36Å; I271-L275 PolarHBondContact O-N 3.04Å |
| 272 | I | 94.4 | Very high | 90.8 | Very high | 103 Ų | 103 | 99.5 Ų | 99.5 | 53% | 0.528 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.6 | -41.3 | 177.8 | -64.5 | 167.1 | 0 | 0 | 0 | 110.6 | F268 L269 L275 S276 | F268-I272 HydrophobicContact CB-CD1 4.36Å; F268-I272 WeakPolarHBondContact O-CG1 3.07Å; F268-I272 PolarHBondContact O-N 3.48Å; L269-I272 PolarHBondContact O-N 3.34Å; I272-L275 PolarHBondContact O-N 3.12Å; I272-S276 VanDerWaalsContact O-CB 3.26Å; I272-S276 WeakPolarHBondContact O-CB 3.34Å; I272-S276 PolarHBondContact O-N 3.46Å; I272-S276 PolarHBondContact O-OG 3.4Å |
| 273 | F | 95.4 | Very high | 89 | Confident | 127 Ų | 127 | 103.2 Ų | 103.2 | 56% | 0.557 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61 | -45.2 | 176.8 | 176.1 | -98.2 | 0 | 0 | 0 | 112.6 | L269 P270 I271 S276 S277 | L269-F273 WeakPolarHBondContact O-CB 3.42Å; L269-F273 PolarHBondContact O-N 2.81Å; P270-F273 PolarHBondContact O-N 3.36Å; I271-F273 VanDerWaalsContact C-N 3.33Å; I271-F273 PolarHBondContact O-N 3.21Å; F273-S276 WeakPolarHBondContact CA-OG 3.46Å; F273-S276 PolarHBondContact O-OG 2.86Å; F273-S277 VanDerWaalsContact O-CB 3.3Å; F273-S277 WeakPolarHBondContact O-CB 3.35Å; F273-S277 PolarHBondContact O-N 3.12Å; F273-S277 PolarHBondContact O-OG 3.33Å |
| 274 | Y | 94.5 | Very high | 87.2 | Confident | 170 Ų | 170 | 108.7 Ų | 108.7 | 67% | 0.667 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -69.6 | -41.2 | 178.6 | -80.9 | -69 | 0 | 0 | 0 | 112.2 | P270 I271 S277 F278 | P270-Y274 WeakPolarHBondContact O-CD2 3.03Å; P270-Y274 PolarHBondContact O-N 3.04Å; I271-Y274 PolarHBondContact O-N 3.36Å; Y274-S277 PolarHBondContact O-N 3.05Å; Y274-F278 WeakPolarHBondContact O-CB 3.23Å; Y274-F278 PolarHBondContact O-N 3.24Å |
| 275 | L | 93 | Very high | 85.5 | Confident | 103 Ų | 103 | 113.2 Ų | 113.2 | 54% | 0.539 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.9 | -45.1 | 176.8 | -71.4 | 173.7 | 0 | 0 | 0 | 111.9 | I271 I272 S277 F278 L279 | I271-L275 HydrophobicContact CG2-CD1 3.84Å; I271-L275 HydrophobicContact CG2-CG 4.41Å; I271-L275 WeakPolarHBondContact O-CB 3.27Å; I271-L275 VanDerWaalsContact O-CG 3.29Å; I271-L275 WeakPolarHBondContact O-CG 3.36Å; I271-L275 PolarHBondContact O-N 3.04Å; I272-L275 PolarHBondContact O-N 3.12Å; L275-S277 PolarHBondContact O-N 3.43Å; L275-F278 PolarHBondContact O-N 3.25Å; L275-L279 WeakPolarHBondContact O-CG 3.4Å; L275-L279 PolarHBondContact O-N 3.39Å |
| 276 | S | 91.4 | Very high | 83.7 | Confident | 56 Ų | 56 | 118.4 Ų | 118.4 | 39% | 0.392 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -62.4 | -43 | 177 | 55.3 | 0 | 0 | 0 | 0 | 111.6 | I272 F273 F278 L279 H280 | I272-S276 VanDerWaalsContact O-CB 3.26Å; I272-S276 WeakPolarHBondContact O-CB 3.34Å; I272-S276 PolarHBondContact O-N 3.46Å; I272-S276 PolarHBondContact O-OG 3.4Å; F273-S276 WeakPolarHBondContact CA-OG 3.46Å; F273-S276 PolarHBondContact O-OG 2.86Å; S276-F278 PolarHBondContact O-N 2.88Å; S276-L279 PolarHBondContact O-N 3.37Å; S276-H280 WeakPolarHBondContact O-CB 3.45Å; S276-H280 PolarHBondContact O-N 3.35Å |
| 277 | S | 90.1 | Very high | 81.9 | Confident | 54 Ų | 54 | 122.4 Ų | 122.4 | 38% | 0.378 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -61.5 | -41.2 | 175.4 | -62.5 | 0 | 0 | 0 | 0 | 112.6 | F273 Y274 L275 S281 | F273-S277 VanDerWaalsContact O-CB 3.3Å; F273-S277 WeakPolarHBondContact O-CB 3.35Å; F273-S277 PolarHBondContact O-N 3.12Å; F273-S277 PolarHBondContact O-OG 3.33Å; Y274-S277 PolarHBondContact O-N 3.05Å; L275-S277 PolarHBondContact O-N 3.43Å; S277-S281 WeakPolarHBondContact O-CB 3.42Å; S277-S281 PolarHBondContact O-N 2.88Å |
| 278 | F | 87.7 | Confident | 80.1 | Confident | 134 Ų | 134 | 124 Ų | 124 | 59% | 0.588 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -63.5 | -48.7 | 177.1 | 177.7 | -100.8 | 0 | 0 | 0 | 112.1 | Y274 L275 S276 H280 S281 E282 | Y274-F278 WeakPolarHBondContact O-CB 3.23Å; Y274-F278 PolarHBondContact O-N 3.24Å; L275-F278 PolarHBondContact O-N 3.25Å; S276-F278 PolarHBondContact O-N 2.88Å; F278-H280 PolarHBondContact O-N 3.37Å; F278-S281 PolarHBondContact O-N 3.1Å; F278-E282 PolarHBondContact O-N 2.98Å |
| 279 | L | 86.6 | Confident | 78.6 | Confident | 118 Ų | 118 | 126.5 Ų | 126.5 | 62% | 0.618 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -63.2 | -39.9 | 178.5 | -68.7 | 174.2 | 0 | 0 | 0 | 112.3 | L275 S276 S281 | L275-L279 WeakPolarHBondContact O-CG 3.4Å; L275-L279 PolarHBondContact O-N 3.39Å; S276-L279 PolarHBondContact O-N 3.37Å; L279-S281 VanDerWaalsContact C-N 3.32Å; L279-S281 PolarHBondContact O-N 2.92Å |
| 280 | H | 82.6 | Confident | 77 | Confident | 140 Ų | 140 | 130.8 Ų | 130.8 | 65% | 0.648 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -69.6 | -28.1 | 176.8 | -117.6 | 86.7 | 0 | 0 | 0 | 113.2 | S276 F278 | S276-H280 WeakPolarHBondContact O-CB 3.45Å; S276-H280 PolarHBondContact O-N 3.35Å; F278-H280 PolarHBondContact O-N 3.37Å |
| 281 | S | 73.5 | Confident | 75.4 | Confident | 81 Ų | 81 | 132.9 Ų | 132.9 | 57% | 0.566 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -71.5 | -40.5 | 178.7 | -175.8 | 0 | 0 | 0 | 0 | 112.5 | S277 F278 L279 Q283 K284 | S277-S281 WeakPolarHBondContact O-CB 3.42Å; S277-S281 PolarHBondContact O-N 2.88Å; F278-S281 PolarHBondContact O-N 3.1Å; L279-S281 VanDerWaalsContact C-N 3.32Å; L279-S281 PolarHBondContact O-N 2.92Å; S281-Q283 PolarHBondContact O-N 2.88Å; S281-K284 PolarHBondContact O-N 3.2Å |
| 282 | E | 61.9 | Low | 73.6 | Confident | 102 Ų | 102 | 139 Ų | 139 | 48% | 0.477 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -58.6 | -33.5 | 178 | -91.9 | -84.9 | 137.7 | 0 | 0 | 112.6 | F278 K284 K285 | F278-E282 PolarHBondContact O-N 2.98Å; E282-K284 VanDerWaalsContact C-N 3.29Å; E282-K284 PolarHBondContact O-N 2.74Å; E282-K285 IonicContact OE1-NZ 2.92Å; E282-K285 PolarHBondContact OE1-NZ 2.64Å; E282-K285 IonicContact OE2-NZ 2.84Å; E282-K285 PolarHBondContact OE2-NZ 3.46Å |
| 283 | Q | 59.2 | Low | 72 | Confident | 167 Ų | 167 | 145.5 Ų | 145.5 | 78% | 0.78 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | -13.7 | 178.6 | -65.8 | -165.3 | -20.1 | 0 | 0 | 114 | S281 | S281-Q283 PolarHBondContact O-N 2.88Š|
| 284 | K | 57.8 | Low | 70.3 | Confident | 176 Ų | 176 | 143.8 Ų | 143.8 | 77% | 0.765 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.9 | 24.1 | 177.8 | -102.9 | -176.8 | -176.4 | 175.9 | 0 | 113.7 | S281 E282 R286 | S281-K284 PolarHBondContact O-N 3.2Å; E282-K284 VanDerWaalsContact C-N 3.29Å; E282-K284 PolarHBondContact O-N 2.74Å; K284-R286 VanDerWaalsContact C-N 3.27Å; K284-R286 PolarHBondContact O-N 3.42Å |
| 285 | K | 58.3 | Low | 68.5 | Low | 146 Ų | 146 | 144.9 Ų | 144.9 | 64% | 0.635 | 70% | 0.7 | S | S | * | * | trans | -58.8 | 96.1 | 163.7 | -74.4 | 175.1 | -173.7 | 157.4 | 0 | 107.7 | E282 K287 | E282-K285 IonicContact OE1-NZ 2.92Å; E282-K285 PolarHBondContact OE1-NZ 2.64Å; E282-K285 IonicContact OE2-NZ 2.84Å; E282-K285 PolarHBondContact OE2-NZ 3.46Å; K285-K287 PolarHBondContact O-N 3.43Å; K285-K287 VanDerWaalsContact O-N 3.17Å | ||
| 286 | R | 60.2 | Low | 66.6 | Low | 233 Ų | 233 | 145 Ų | 145 | 88% | 0.879 | 71% | 0.709 | S | S | * | * | trans | -47.7 | 123.6 | -176.1 | -62.3 | -175.5 | -166.9 | -178.2 | 4.2 | 107.9 | K284 L288 | K284-R286 VanDerWaalsContact C-N 3.27Å; K284-R286 PolarHBondContact O-N 3.42Å; R286-L288 PolarHBondContact O-N 3.16Å | ||
| 287 | K | 56.7 | Low | 64.7 | Low | 200 Ų | 200 | 150.6 Ų | 150.6 | 87% | 0.87 | 73% | 0.729 | S | S | * | * | trans | -53.7 | 109.4 | 160.8 | -72.6 | -173.8 | 178.9 | -179.5 | 0 | 105.8 | K285 I289 | K285-K287 PolarHBondContact O-N 3.43Å; K285-K287 VanDerWaalsContact O-N 3.17Å; K287-I289 VanDerWaalsContact C-N 3.32Å; K287-I289 PolarHBondContact O-N 3.01Å | ||
| 288 | L | 58.8 | Low | 63 | Low | 162 Ų | 162 | 155.5 Ų | 155.5 | 85% | 0.848 | 75% | 0.751 | S | S | * | * | trans | -58.4 | 102.7 | 168 | -77.4 | 158.1 | 0 | 0 | 0 | 105.6 | R286 H290 | R286-L288 PolarHBondContact O-N 3.16Å; L288-H290 VanDerWaalsContact C-N 3.25Å; L288-H290 PolarHBondContact O-N 3.42Å | ||
| 289 | I | 63.9 | Low | 61.4 | Low | 160 Ų | 160 | 153.9 Ų | 153.9 | 82% | 0.821 | 76% | 0.756 | S | S | * | * | trans | -66.1 | 98.4 | 168 | -61.1 | 171.7 | 0 | 0 | 0 | 104.3 | K287 P291 | K287-I289 VanDerWaalsContact C-N 3.32Å; K287-I289 PolarHBondContact O-N 3.01Å; I289-P291 VanDerWaalsContact O-CD 3.27Å; I289-P291 WeakPolarHBondContact O-CD 3.49Å | ||
| 290 | H | 60.9 | Low | 59.9 | Low | 165 Ų | 165 | 156.8 Ų | 156.8 | 76% | 0.764 | 77% | 0.771 | S | S | * | * | trans | -60 | 118.1 | 170.2 | -118.1 | -68.9 | 0 | 0 | 0 | 106.9 | L288 K292 | L288-H290 VanDerWaalsContact C-N 3.25Å; L288-H290 PolarHBondContact O-N 3.42Å; H290-K292 PolarHBondContact O-N 3.33Å; H290-K292 VanDerWaalsContact O-N 3.11Å | ||
| 291 | P | 62.1 | Low | 58.3 | Low | 109 Ų | 109 | 157.7 Ų | 157.7 | 71% | 0.708 | 78% | 0.778 | S | S | * | * | trans | -60.7 | 121.2 | 175.1 | 23.2 | -30.5 | 0 | 0 | 0 | 108 | I289 R293 | I289-P291 VanDerWaalsContact O-CD 3.27Å; I289-P291 WeakPolarHBondContact O-CD 3.49Å; P291-R293 PolarHBondContact O-N 3.47Å | ||
| 292 | K | 57.1 | Low | 57 | Low | 212 Ų | 212 | 160.1 Ų | 160.1 | 92% | 0.922 | 78% | 0.784 | S | S | * | * | trans | -62.6 | 108.1 | 171.4 | -79.7 | -175.2 | 178 | 178.6 | 0 | 107.5 | H290 A294 | H290-K292 PolarHBondContact O-N 3.33Å; H290-K292 VanDerWaalsContact O-N 3.11Å; K292-A294 PolarHBondContact O-N 2.95Å | ||
| 293 | R | 61 | Low | 56.6 | Low | 240 Ų | 240 | 162.4 Ų | 162.4 | 91% | 0.906 | 80% | 0.799 | S | S | * | * | trans | -57.5 | 122.5 | 171.5 | -161.9 | -179.7 | -135.5 | 170.4 | 3.2 | 108.4 | P291 K295 | P291-R293 PolarHBondContact O-N 3.47Å; R293-K295 PolarHBondContact O-N 3.03Å | ||
| 294 | A | 58.4 | Low | 56.2 | Low | 92 Ų | 92 | 162.4 Ų | 162.4 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | trans | -60.5 | 133.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | K292 S296 | K292-A294 PolarHBondContact O-N 2.95Å; A294-S296 PolarHBondContact O-N 2.87Å | ||
| 295 | K | 57.7 | Low | 55.6 | Low | 193 Ų | 193 | 161.6 Ų | 161.6 | 84% | 0.839 | 80% | 0.802 | S | S | * | * | trans | -66.1 | 115.8 | 171 | -72.9 | -179.1 | 176.3 | -178.8 | 0 | 107.8 | R293 H297 | R293-K295 PolarHBondContact O-N 3.03Å; K295-H297 PolarHBondContact O-N 3.3Å | ||
| 296 | S | 52.9 | Low | 54.8 | Low | 104 Ų | 104 | 164.4 Ų | 164.4 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | trans | -69.6 | 111.5 | 167.9 | 60.8 | 0 | 0 | 0 | 0 | 108.4 | A294 N298 | A294-S296 PolarHBondContact O-N 2.87Å; S296-N298 PolarHBondContact O-N 3.41Å | ||
| 297 | H | 51 | Low | 54.1 | Low | 175 Ų | 175 | 162.4 Ų | 162.4 | 81% | 0.81 | 82% | 0.815 | S | S | * | * | trans | -69.8 | 117.4 | 161.3 | -92.9 | -100.7 | 0 | 0 | 0 | 107.6 | K295 S299 | K295-H297 PolarHBondContact O-N 3.3Å; H297-S299 PolarHBondContact O-N 3.06Å | ||
| 298 | N | 54.4 | Low | 53.1 | Low | 156 Ų | 156 | 162.1 Ų | 162.1 | 83% | 0.834 | 84% | 0.839 | S | S | * | * | trans | -70.2 | 95.3 | 164.9 | -72.3 | -19.4 | 0 | 0 | 0 | 107.5 | S296 L300 | S296-N298 PolarHBondContact O-N 3.41Å; N298-L300 PolarHBondContact O-N 3.33Å | ||
| 299 | S | 55.2 | Low | 52.8 | Low | 101 Ų | 101 | 162.2 Ų | 162.2 | 71% | 0.706 | 84% | 0.838 | S | S | * | * | trans | -72.4 | 113.7 | 163 | 58 | 0 | 0 | 0 | 0 | 108 | H297 M301 | H297-S299 PolarHBondContact O-N 3.06Å; S299-M301 PolarHBondContact O-N 3.42Å | ||
| 300 | L | 54.3 | Low | 52.2 | Low | 178 Ų | 178 | 162.3 Ų | 162.3 | 93% | 0.932 | 84% | 0.839 | S | S | * | * | trans | -54.5 | 101 | 164.8 | -117.1 | 158.9 | 0 | 0 | 0 | 108.2 | N298 | N298-L300 PolarHBondContact O-N 3.33Š| ||
| 301 | M | 48.6 | Very low | 51.7 | Low | 160 Ų | 160 | 162.1 Ų | 162.1 | 79% | 0.788 | 84% | 0.843 | S | S | * | * | trans | -104.7 | 106.6 | 170 | -152.1 | 159.8 | 90.1 | 0 | 0 | 107.8 | S299 I303 | S299-M301 PolarHBondContact O-N 3.42Å; M301-I303 PolarHBondContact O-N 3.42Å | ||
| 302 | N | 45.9 | Very low | 51.1 | Low | 131 Ų | 131 | 165.2 Ų | 165.2 | 70% | 0.701 | 85% | 0.851 | S | S | * | * | trans | -66 | 116.6 | 175.1 | -171.8 | 6.9 | 0 | 0 | 0 | 108.9 | ||||
| 303 | I | 53.3 | Low | 50.8 | Low | 151 Ų | 151 | 162.3 Ų | 162.3 | 77% | 0.774 | 85% | 0.847 | S | S | * | * | trans | -100.6 | 103.5 | 167.4 | -61.6 | 177.9 | 0 | 0 | 0 | 105.7 | M301 | M301-I303 PolarHBondContact O-N 3.42Š| ||
| 304 | Q | 51.9 | Low | 50.1 | Low | 166 Ų | 166 | 157.1 Ų | 157.1 | 78% | 0.776 | 84% | 0.843 | S | S | * | * | trans | -68.7 | 131.5 | 167.2 | -89.5 | 175.1 | -68.4 | 0 | 0 | 109.9 | ||||
| 305 | D | 45.6 | Very low | 49.5 | Very low | 159 Ų | 159 | 161.8 Ų | 161.8 | 85% | 0.85 | 85% | 0.849 | S | S | * | * | trans | -51.8 | 141 | 163.9 | -78.3 | -48.3 | 0 | 0 | 0 | 112.1 | ||||
| 306 | K | 41.9 | Very low | 48.9 | Very low | 205 Ų | 205 | 159.4 Ų | 159.4 | 89% | 0.891 | 85% | 0.85 | S | S | * | * | trans | -133.2 | 105.9 | 155.7 | -148.1 | -178.1 | -174.6 | -171.7 | 0 | 108.9 | ||||
| 307 | Q | 43.5 | Very low | 48.5 | Very low | 192 Ų | 192 | 164 Ų | 164 | 90% | 0.897 | 86% | 0.86 | S | S | * | * | trans | -69.6 | 136.3 | 165.6 | -78.5 | 174.8 | -39.4 | 0 | 0 | 110.8 | ||||
| 308 | S | 36.7 | Very low | 48.3 | Very low | 194 Ų | 194 | 163 Ų | 163 | 100% | 1.357 | 86% | 0.864 | S | S | * | * | trans | -169.2 | 0 | 138.3 | 54.9 | 0 | 0 | 0 | 0 | 108.7 |
Retrieved 308 of 308 residues in 575.4 ms
(Link to these results)