| 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 | 35.7 | Very low | 57.4 | Low | 243 Ų | 243 | 131.1 Ų | 131.1 | 100% | 1.197 | 71% | 0.714 | S | S | * | * | 0 | 83.6 | 0 | -88.4 | 177.3 | 153.1 | 0 | 0 | 108 | |||||
| 2 | E | 39.4 | Very low | 58.9 | Low | 191 Ų | 191 | 129.3 Ų | 129.3 | 89% | 0.893 | 70% | 0.695 | S | S | * | * | trans | -157.8 | 81.9 | 161.6 | -76.5 | -156.6 | 156.8 | 0 | 0 | 107.3 | ||||
| 3 | L | 46 | Very low | 60.4 | Low | 189 Ų | 189 | 130.2 Ų | 130.2 | 99% | 0.99 | 69% | 0.691 | S | S | * | * | trans | -108.4 | 69 | 160.2 | -91.2 | 128 | 0 | 0 | 0 | 106.3 | C5 | L3-C5 PolarHBondContact O-N 2.93Š| ||
| 4 | G | 51 | Low | 61.8 | Low | 69 Ų | 69 | 128.1 Ų | 128.1 | 71% | 0.711 | 68% | 0.68 | S | S | * | * | trans | -76 | 111.8 | -178 | 0 | 0 | 0 | 0 | 0 | 111.6 | L6 | G4-L6 PolarHBondContact O-N 3.38Š| ||
| 5 | C | 54.2 | Low | 63.2 | Low | 128 Ų | 128 | 124.6 Ų | 124.6 | 87% | 0.865 | 67% | 0.665 | S | S | * | * | trans | 25.5 | 80.9 | 153.7 | -70.4 | 0 | 0 | 0 | 0 | 117.2 | L3 K7 | L3-C5 PolarHBondContact O-N 2.93Å; C5-K7 PolarHBondContact O-N 3.18Å | ||
| 6 | L | 58.4 | Low | 64.4 | Low | 117 Ų | 117 | 124.5 Ų | 124.5 | 61% | 0.613 | 66% | 0.659 | S | S | * | * | trans | -62.1 | 121.7 | 156.2 | -91.6 | 146.6 | 0 | 0 | 0 | 108.5 | G4 Y8 T10 V11 | G4-L6 PolarHBondContact O-N 3.38Å; L6-Y8 PolarHBondContact O-N 3.32Å; L6-T10 WeakPolarHBondContact CD2-OG1 3.49Å; L6-V11 HydrophobicContact CB-CG2 3.94Å | ||
| 7 | K | 64.2 | Low | 65.6 | Low | 172 Ų | 172 | 123.5 Ų | 123.5 | 75% | 0.748 | 65% | 0.653 | S | S | * | * | trans | -50.9 | 136.5 | 174.9 | -75.4 | 178.8 | 177.2 | 176.1 | 0 | 109.1 | C5 G9 T10 V11 | C5-K7 PolarHBondContact O-N 3.18Å; K7-G9 PolarHBondContact O-N 2.85Å; K7-T10 PolarHBondContact N-OG1 3.36Å; K7-T10 PolarHBondContact O-N 3.47Å; K7-T10 PolarHBondContact O-OG1 3.39Å; K7-V11 PolarHBondContact O-N 2.77Å | ||
| 8 | Y | 65 | Low | 66.7 | Low | 172 Ų | 172 | 119.1 Ų | 119.1 | 68% | 0.675 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -50.5 | -30.1 | 179.8 | -177.1 | -107.7 | 0 | 0 | 0 | 113.5 | L6 K12 | L6-Y8 PolarHBondContact O-N 3.32Å; Y8-K12 HydrophobicContact CD1-CD 4.39Å; Y8-K12 HydrophobicContact CE1-CD 3.94Å; Y8-K12 VanDerWaalsContact CE1-NZ 3.33Å; Y8-K12 PolarHBondContact O-N 3.29Å; Y8-K12 WeakPolarHBondContact OH-CE 3.48Å; Y8-K12 PolarHBondContact OH-NZ 3.04Å |
| 9 | G | 70.6 | Confident | 67.7 | Low | 44 Ų | 44 | 117.7 Ų | 117.7 | 45% | 0.454 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -65.3 | -39.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | K7 K12 Q13 | K7-G9 PolarHBondContact O-N 2.85Å; G9-K12 PolarHBondContact O-N 3.28Å; G9-Q13 WeakPolarHBondContact O-CG 3.39Å; G9-Q13 PolarHBondContact O-N 3.47Å; G9-Q13 VanDerWaalsContact O-N 3.16Å |
| 10 | T | 73.6 | Confident | 68.7 | Low | 53 Ų | 53 | 121.2 Ų | 121.2 | 33% | 0.325 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -71.8 | -34.1 | 177.1 | 37.1 | 0 | 0 | 0 | 0 | 111.7 | L6 K7 Q13 L14 | L6-T10 WeakPolarHBondContact CD2-OG1 3.49Å; K7-T10 PolarHBondContact N-OG1 3.36Å; K7-T10 PolarHBondContact O-N 3.47Å; K7-T10 PolarHBondContact O-OG1 3.39Å; T10-Q13 PolarHBondContact O-N 2.88Å; T10-L14 WeakPolarHBondContact O-CB 3.17Å; T10-L14 PolarHBondContact O-N 3.4Å |
| 11 | V | 73.5 | Confident | 69.6 | Low | 64 Ų | 64 | 119.7 Ų | 119.7 | 39% | 0.388 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -63 | -44.3 | 173.9 | -178.3 | 0 | 0 | 0 | 0 | 110.9 | L6 K7 Q13 L14 V15 | L6-V11 HydrophobicContact CB-CG2 3.94Å; K7-V11 PolarHBondContact O-N 2.77Å; V11-Q13 PolarHBondContact O-N 3.16Å; V11-L14 PolarHBondContact O-N 2.98Å; V11-V15 WeakPolarHBondContact O-CG2 3.44Å; V11-V15 PolarHBondContact O-N 3.4Å |
| 12 | K | 75 | Confident | 72.1 | Confident | 110 Ų | 110 | 113.7 Ų | 113.7 | 48% | 0.478 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -61.8 | -40.6 | 175.9 | -79.2 | -173.2 | 169.4 | 179.2 | 0 | 113.2 | Y8 G9 V15 H16 | Y8-K12 HydrophobicContact CD1-CD 4.39Å; Y8-K12 HydrophobicContact CE1-CD 3.94Å; Y8-K12 VanDerWaalsContact CE1-NZ 3.33Å; Y8-K12 PolarHBondContact O-N 3.29Å; Y8-K12 WeakPolarHBondContact OH-CE 3.48Å; Y8-K12 PolarHBondContact OH-NZ 3.04Å; G9-K12 PolarHBondContact O-N 3.28Å; K12-V15 PolarHBondContact O-N 2.95Å; K12-H16 PolarHBondContact O-N 3.28Å |
| 13 | Q | 78.5 | Confident | 74.4 | Confident | 140 Ų | 140 | 109.6 Ų | 109.6 | 65% | 0.654 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -64.9 | -41.4 | 176.1 | -75.4 | 177.8 | -28 | 0 | 0 | 112 | G9 T10 V11 H16 L17 | G9-Q13 WeakPolarHBondContact O-CG 3.39Å; G9-Q13 PolarHBondContact O-N 3.47Å; G9-Q13 VanDerWaalsContact O-N 3.16Å; T10-Q13 PolarHBondContact O-N 2.88Å; V11-Q13 PolarHBondContact O-N 3.16Å; Q13-H16 PolarHBondContact O-N 3.45Å; Q13-L17 WeakPolarHBondContact O-CB 3.33Å; Q13-L17 PolarHBondContact O-N 3.38Å |
| 14 | L | 80 | Confident | 76.4 | Confident | 102 Ų | 102 | 106.4 Ų | 106.4 | 53% | 0.534 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -61.4 | -42.8 | 174.6 | -89.2 | 152.1 | 0 | 0 | 0 | 112.1 | T10 V11 L17 A18 | T10-L14 WeakPolarHBondContact O-CB 3.17Å; T10-L14 PolarHBondContact O-N 3.4Å; V11-L14 PolarHBondContact O-N 2.98Å; L14-L17 PolarHBondContact O-N 2.97Å; L14-A18 WeakPolarHBondContact O-CB 3.5Å; L14-A18 PolarHBondContact O-N 3.17Å |
| 15 | V | 83.1 | Confident | 78.2 | Confident | 75 Ų | 75 | 108.6 Ų | 108.6 | 46% | 0.455 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.6 | -48.7 | 177.4 | 172.7 | 0 | 0 | 0 | 0 | 111.1 | V11 K12 L17 A18 E19 | V11-V15 WeakPolarHBondContact O-CG2 3.44Å; V11-V15 PolarHBondContact O-N 3.4Å; K12-V15 PolarHBondContact O-N 2.95Å; V15-L17 VanDerWaalsContact C-N 3.29Å; V15-L17 PolarHBondContact O-N 3.35Å; V15-A18 WeakPolarHBondContact O-CB 3.42Å; V15-A18 PolarHBondContact O-N 3.4Å; V15-A18 VanDerWaalsContact O-N 3.17Å; V15-E19 HydrophobicContact CG1-CG 4.48Å; V15-E19 WeakPolarHBondContact O-CG 3.36Å; V15-E19 PolarHBondContact O-N 2.97Å |
| 16 | H | 81.6 | Confident | 79.9 | Confident | 123 Ų | 123 | 107.6 Ų | 107.6 | 57% | 0.569 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63.6 | -33.8 | 177.7 | -88.1 | -39.6 | 0 | 0 | 0 | 113.4 | K12 Q13 E19 R20 | K12-H16 PolarHBondContact O-N 3.28Å; Q13-H16 PolarHBondContact O-N 3.45Å; H16-E19 IonicContact CE1-OE2 3.69Å; H16-E19 IonicContact ND1-OE2 2.95Å; H16-E19 PolarHBondContact ND1-OE2 3.06Å; H16-R20 WeakPolarHBondContact O-CG 3.26Å; H16-R20 PolarHBondContact O-N 3.1Å; H16-R20 VanDerWaalsContact O-N 3.1Å |
| 17 | L | 85 | Confident | 81.2 | Confident | 107 Ų | 107 | 105.7 Ų | 105.7 | 56% | 0.56 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -69.1 | -39.9 | 175.1 | -168.7 | 131.2 | 0 | 0 | 0 | 111.2 | Q13 L14 V15 R20 L21 | Q13-L17 WeakPolarHBondContact O-CB 3.33Å; Q13-L17 PolarHBondContact O-N 3.38Å; L14-L17 PolarHBondContact O-N 2.97Å; V15-L17 VanDerWaalsContact C-N 3.29Å; V15-L17 PolarHBondContact O-N 3.35Å; L17-R20 PolarHBondContact O-N 3.27Å; L17-L21 HydrophobicContact CD2-CD1 3.78Å; L17-L21 WeakPolarHBondContact O-CG 3.41Å; L17-L21 PolarHBondContact O-N 3.05Å |
| 18 | A | 85 | Confident | 82.4 | Confident | 45 Ų | 45 | 102.7 Ų | 102.7 | 37% | 0.372 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.2 | -43.5 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | L14 V15 R20 L21 I22 | L14-A18 WeakPolarHBondContact O-CB 3.5Å; L14-A18 PolarHBondContact O-N 3.17Å; V15-A18 WeakPolarHBondContact O-CB 3.42Å; V15-A18 PolarHBondContact O-N 3.4Å; V15-A18 VanDerWaalsContact O-N 3.17Å; A18-R20 PolarHBondContact O-N 3.44Å; A18-L21 PolarHBondContact O-N 3.31Å; A18-I22 VanDerWaalsContact O-CG1 3.26Å; A18-I22 WeakPolarHBondContact O-CG1 3.33Å; A18-I22 PolarHBondContact O-N 2.92Å |
| 19 | E | 85.9 | Confident | 83.5 | Confident | 93 Ų | 93 | 99 Ų | 99 | 44% | 0.435 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.9 | -45.8 | 175.6 | -74.1 | 175.1 | 163.6 | 0 | 0 | 111.9 | V15 H16 I22 I23 | V15-E19 HydrophobicContact CG1-CG 4.48Å; V15-E19 WeakPolarHBondContact O-CG 3.36Å; V15-E19 PolarHBondContact O-N 2.97Å; H16-E19 IonicContact CE1-OE2 3.69Å; H16-E19 IonicContact ND1-OE2 2.95Å; H16-E19 PolarHBondContact ND1-OE2 3.06Å; E19-I22 PolarHBondContact O-N 2.82Å; E19-I23 WeakPolarHBondContact O-CG1 2.77Å; E19-I23 PolarHBondContact O-N 3.31Å |
| 20 | R | 87.8 | Confident | 84 | Confident | 186 Ų | 186 | 101.8 Ų | 101.8 | 70% | 0.702 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.3 | -45.3 | 176.9 | -76.9 | -176 | 179.8 | -163 | -0 | 112.1 | H16 L17 A18 I22 I23 E24 | H16-R20 WeakPolarHBondContact O-CG 3.26Å; H16-R20 PolarHBondContact O-N 3.1Å; H16-R20 VanDerWaalsContact O-N 3.1Å; L17-R20 PolarHBondContact O-N 3.27Å; A18-R20 PolarHBondContact O-N 3.44Å; R20-I22 VanDerWaalsContact C-N 3.33Å; R20-I22 PolarHBondContact O-N 2.97Å; R20-I23 PolarHBondContact O-N 3.47Å; R20-E24 WeakPolarHBondContact O-CG 3.45Å; R20-E24 PolarHBondContact O-N 3.45Å |
| 21 | L | 88.6 | Confident | 84.4 | Confident | 90 Ų | 90 | 102.5 Ų | 102.5 | 47% | 0.471 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61 | -41.5 | 177.2 | -75.4 | 171 | 0 | 0 | 0 | 111.9 | L17 A18 I23 E24 M25 | L17-L21 HydrophobicContact CD2-CD1 3.78Å; L17-L21 WeakPolarHBondContact O-CG 3.41Å; L17-L21 PolarHBondContact O-N 3.05Å; A18-L21 PolarHBondContact O-N 3.31Å; L21-I23 PolarHBondContact O-N 2.96Å; L21-E24 PolarHBondContact O-N 3.22Å; L21-M25 WeakPolarHBondContact O-CB 3.33Å; L21-M25 WeakPolarHBondContact O-CG 3.38Å; L21-M25 PolarHBondContact O-N 2.96Å |
| 22 | I | 88.7 | Confident | 84.7 | Confident | 117 Ų | 117 | 102.1 Ų | 102.1 | 60% | 0.6 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.7 | -44 | 177.7 | -69 | 163.7 | 0 | 0 | 0 | 110.8 | A18 E19 R20 M25 L26 | A18-I22 VanDerWaalsContact O-CG1 3.26Å; A18-I22 WeakPolarHBondContact O-CG1 3.33Å; A18-I22 PolarHBondContact O-N 2.92Å; E19-I22 PolarHBondContact O-N 2.82Å; R20-I22 VanDerWaalsContact C-N 3.33Å; R20-I22 PolarHBondContact O-N 2.97Å; I22-M25 PolarHBondContact O-N 3.32Å; I22-L26 WeakPolarHBondContact O-CB 3.35Å; I22-L26 PolarHBondContact O-N 2.93Å |
| 23 | I | 86.9 | Confident | 84.9 | Confident | 106 Ų | 106 | 99.4 Ų | 99.4 | 54% | 0.544 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64 | -46 | 179 | -66.9 | 166 | 0 | 0 | 0 | 110.7 | E19 R20 L21 M25 L26 V27 | E19-I23 WeakPolarHBondContact O-CG1 2.77Å; E19-I23 PolarHBondContact O-N 3.31Å; R20-I23 PolarHBondContact O-N 3.47Å; L21-I23 PolarHBondContact O-N 2.96Å; I23-M25 VanDerWaalsContact C-N 3.34Å; I23-M25 PolarHBondContact O-N 2.99Å; I23-L26 WeakPolarHBondContact O-CB 3.46Å; I23-L26 PolarHBondContact O-N 3.43Å; I23-V27 WeakPolarHBondContact O-CG2 3.43Å; I23-V27 PolarHBondContact O-N 3.49Å |
| 24 | E | 87.3 | Confident | 84.5 | Confident | 121 Ų | 121 | 95.6 Ų | 95.6 | 57% | 0.565 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.2 | -42.8 | 178 | -73.8 | -179.9 | 176.1 | 0 | 0 | 111.9 | R20 L21 L26 V27 L28 | R20-E24 WeakPolarHBondContact O-CG 3.45Å; R20-E24 PolarHBondContact O-N 3.45Å; L21-E24 PolarHBondContact O-N 3.22Å; E24-L26 PolarHBondContact O-N 3.45Å; E24-V27 PolarHBondContact O-N 3.19Å; E24-L28 WeakPolarHBondContact O-CG 3.43Å; E24-L28 PolarHBondContact O-N 3.33Å |
| 25 | M | 89.9 | Confident | 84.3 | Confident | 115 Ų | 115 | 97.6 Ų | 97.6 | 57% | 0.567 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.6 | -39.5 | 175.9 | -69.1 | -57.2 | -63.8 | 0 | 0 | 112.1 | L21 I22 I23 L28 V29 | L21-M25 WeakPolarHBondContact O-CB 3.33Å; L21-M25 WeakPolarHBondContact O-CG 3.38Å; L21-M25 PolarHBondContact O-N 2.96Å; I22-M25 PolarHBondContact O-N 3.32Å; I23-M25 VanDerWaalsContact C-N 3.34Å; I23-M25 PolarHBondContact O-N 2.99Å; M25-L28 PolarHBondContact O-N 3.23Å; M25-L28 HydrophobicContact SD-CD1 4.15Å; M25-V29 VanDerWaalsContact O-CG2 3.32Å; M25-V29 WeakPolarHBondContact O-CG2 3.47Å; M25-V29 PolarHBondContact O-N 3.5Å |
| 26 | L | 88.6 | Confident | 83.7 | Confident | 107 Ų | 107 | 98.6 Ų | 98.6 | 56% | 0.56 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.7 | -44.7 | 175.2 | -168 | 90.7 | 0 | 0 | 0 | 111.1 | I22 I23 E24 L28 V29 I30 | I22-L26 WeakPolarHBondContact O-CB 3.35Å; I22-L26 PolarHBondContact O-N 2.93Å; I23-L26 WeakPolarHBondContact O-CB 3.46Å; I23-L26 PolarHBondContact O-N 3.43Å; E24-L26 PolarHBondContact O-N 3.45Å; L26-L28 VanDerWaalsContact C-N 3.34Å; L26-L28 PolarHBondContact O-N 3.43Å; L26-V29 PolarHBondContact O-N 2.97Å; L26-I30 HydrophobicContact CD2-CD1 4.09Å; L26-I30 HydrophobicContact CG-CD1 4.07Å; L26-I30 VanDerWaalsContact O-CG1 3.3Å; L26-I30 WeakPolarHBondContact O-CG1 3.43Å; L26-I30 PolarHBondContact O-N 3.1Å |
| 27 | V | 87.3 | Confident | 82.7 | Confident | 77 Ų | 77 | 96.6 Ų | 96.6 | 47% | 0.467 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.1 | -44.1 | 176.9 | 171.7 | 0 | 0 | 0 | 0 | 110.7 | I23 E24 V29 I30 C31 | I23-V27 WeakPolarHBondContact O-CG2 3.43Å; I23-V27 PolarHBondContact O-N 3.49Å; E24-V27 PolarHBondContact O-N 3.19Å; V27-V29 VanDerWaalsContact C-N 3.35Å; V27-V29 PolarHBondContact O-N 3.24Å; V27-I30 PolarHBondContact O-N 3.06Å; V27-C31 WeakPolarHBondContact O-CB 3.43Å; V27-C31 PolarHBondContact O-N 3.35Å; V27-C31 PolarHBondContact O-SG 3.06Å |
| 28 | L | 88.1 | Confident | 81.4 | Confident | 109 Ų | 109 | 94.6 Ų | 94.6 | 57% | 0.571 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.8 | -42.2 | 176 | -74.6 | 172 | 0 | 0 | 0 | 112.3 | E24 M25 L26 C31 A32 | E24-L28 WeakPolarHBondContact O-CG 3.43Å; E24-L28 PolarHBondContact O-N 3.33Å; M25-L28 PolarHBondContact O-N 3.23Å; M25-L28 HydrophobicContact SD-CD1 4.15Å; L26-L28 VanDerWaalsContact C-N 3.34Å; L26-L28 PolarHBondContact O-N 3.43Å; L28-C31 PolarHBondContact O-N 2.94Å; L28-A32 WeakPolarHBondContact O-CB 3.22Å; L28-A32 PolarHBondContact O-N 3.2Å |
| 29 | V | 87.9 | Confident | 79.9 | Confident | 94 Ų | 94 | 95 Ų | 95 | 57% | 0.57 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.1 | -43.5 | 176.5 | 171.4 | 0 | 0 | 0 | 0 | 111.4 | M25 L26 V27 A32 A33 | M25-V29 VanDerWaalsContact O-CG2 3.32Å; M25-V29 WeakPolarHBondContact O-CG2 3.47Å; M25-V29 PolarHBondContact O-N 3.5Å; L26-V29 PolarHBondContact O-N 2.97Å; V27-V29 VanDerWaalsContact C-N 3.35Å; V27-V29 PolarHBondContact O-N 3.24Å; V29-A32 PolarHBondContact O-N 2.97Å; V29-A33 WeakPolarHBondContact O-CB 3.3Å; V29-A33 PolarHBondContact O-N 3.34Å |
| 30 | I | 82.8 | Confident | 78.3 | Confident | 103 Ų | 103 | 92.9 Ų | 92.9 | 53% | 0.528 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.9 | -46 | 177.3 | -67.6 | 166.2 | 0 | 0 | 0 | 110.5 | L26 V27 A32 A33 S34 | L26-I30 HydrophobicContact CD2-CD1 4.09Å; L26-I30 HydrophobicContact CG-CD1 4.07Å; L26-I30 VanDerWaalsContact O-CG1 3.3Å; L26-I30 WeakPolarHBondContact O-CG1 3.43Å; L26-I30 PolarHBondContact O-N 3.1Å; V27-I30 PolarHBondContact O-N 3.06Å; I30-A32 PolarHBondContact O-N 3.35Å; I30-A33 PolarHBondContact O-N 3.3Å; I30-S34 WeakPolarHBondContact O-CB 3.11Å; I30-S34 PolarHBondContact O-N 2.97Å |
| 31 | C | 81.6 | Confident | 76.3 | Confident | 68 Ų | 68 | 89.6 Ų | 89.6 | 46% | 0.459 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.1 | -46.1 | 175.6 | -74.7 | 0 | 0 | 0 | 0 | 111.4 | V27 L28 S34 F35 | V27-C31 WeakPolarHBondContact O-CB 3.43Å; V27-C31 PolarHBondContact O-N 3.35Å; V27-C31 PolarHBondContact O-SG 3.06Å; L28-C31 PolarHBondContact O-N 2.94Å; C31-S34 PolarHBondContact O-N 3.33Å; C31-S34 PolarHBondContact O-OG 2.81Å; C31-F35 WeakPolarHBondContact O-CB 3.47Å; C31-F35 PolarHBondContact O-N 3.01Å |
| 32 | A | 80 | Confident | 74.2 | Confident | 56 Ų | 56 | 91.4 Ų | 91.4 | 46% | 0.463 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.4 | -44.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | L28 V29 I30 S34 F35 V36 | L28-A32 WeakPolarHBondContact O-CB 3.22Å; L28-A32 PolarHBondContact O-N 3.2Å; V29-A32 PolarHBondContact O-N 2.97Å; I30-A32 PolarHBondContact O-N 3.35Å; A32-S34 VanDerWaalsContact C-N 3.35Å; A32-S34 PolarHBondContact O-N 3.45Å; A32-F35 PolarHBondContact O-N 3.4Å; A32-V36 WeakPolarHBondContact O-CG2 3.36Å; A32-V36 PolarHBondContact O-N 3.31Å |
| 33 | A | 77.5 | Confident | 72.2 | Confident | 54 Ų | 54 | 94.2 Ų | 94.2 | 45% | 0.446 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.3 | -40.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V29 I30 F35 V36 T37 | V29-A33 WeakPolarHBondContact O-CB 3.3Å; V29-A33 PolarHBondContact O-N 3.34Å; I30-A33 PolarHBondContact O-N 3.3Å; A33-F35 VanDerWaalsContact C-N 3.32Å; A33-F35 PolarHBondContact O-N 2.87Å; A33-V36 PolarHBondContact O-N 3.45Å; A33-T37 WeakPolarHBondContact O-CG2 3.36Å; A33-T37 PolarHBondContact O-N 3.25Å; A33-T37 PolarHBondContact O-OG1 3.48Å |
| 34 | S | 71.7 | Confident | 70.2 | Confident | 60 Ų | 60 | 93.1 Ų | 93.1 | 42% | 0.42 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65 | -35.6 | 175.1 | 77.2 | 0 | 0 | 0 | 0 | 112.5 | I30 C31 A32 T37 S38 | I30-S34 WeakPolarHBondContact O-CB 3.11Å; I30-S34 PolarHBondContact O-N 2.97Å; C31-S34 PolarHBondContact O-N 3.33Å; C31-S34 PolarHBondContact O-OG 2.81Å; A32-S34 VanDerWaalsContact C-N 3.35Å; A32-S34 PolarHBondContact O-N 3.45Å; S34-T37 WeakPolarHBondContact CA-OG1 3.32Å; S34-T37 PolarHBondContact O-OG1 2.77Å; S34-S38 VanDerWaalsContact O-CB 3.29Å; S34-S38 WeakPolarHBondContact O-CB 3.33Å; S34-S38 PolarHBondContact O-N 2.88Å; S34-S38 PolarHBondContact O-OG 3.44Å |
| 35 | F | 74.7 | Confident | 68.2 | Low | 144 Ų | 144 | 93.9 Ų | 93.9 | 63% | 0.632 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -70.9 | -44 | 177.2 | -173.5 | -95.4 | 0 | 0 | 0 | 111.2 | C31 A32 A33 S38 S39 | C31-F35 WeakPolarHBondContact O-CB 3.47Å; C31-F35 PolarHBondContact O-N 3.01Å; A32-F35 PolarHBondContact O-N 3.4Å; A33-F35 VanDerWaalsContact C-N 3.32Å; A33-F35 PolarHBondContact O-N 2.87Å; F35-S38 PolarHBondContact O-N 2.87Å; F35-S39 VanDerWaalsContact O-CB 3.26Å; F35-S39 WeakPolarHBondContact O-CB 3.46Å; F35-S39 PolarHBondContact O-N 2.86Å; F35-S39 PolarHBondContact O-OG 3.08Å |
| 36 | V | 70.2 | Confident | 65.8 | Low | 96 Ų | 96 | 91.7 Ų | 91.7 | 58% | 0.582 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.4 | -44.4 | 176.5 | 172.4 | 0 | 0 | 0 | 0 | 111.3 | A32 A33 S39 A40 | A32-V36 WeakPolarHBondContact O-CG2 3.36Å; A32-V36 PolarHBondContact O-N 3.31Å; A33-V36 PolarHBondContact O-N 3.45Å; V36-S39 PolarHBondContact O-N 2.97Å; V36-A40 WeakPolarHBondContact O-CB 3.43Å; V36-A40 PolarHBondContact O-N 3.3Å |
| 37 | T | 62.2 | Low | 63.2 | Low | 81 Ų | 81 | 94.9 Ų | 94.9 | 50% | 0.497 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.1 | -43.1 | 177.3 | 47.6 | 0 | 0 | 0 | 0 | 112.2 | A33 S34 S39 A40 L41 | A33-T37 WeakPolarHBondContact O-CG2 3.36Å; A33-T37 PolarHBondContact O-N 3.25Å; A33-T37 PolarHBondContact O-OG1 3.48Å; S34-T37 WeakPolarHBondContact CA-OG1 3.32Å; S34-T37 PolarHBondContact O-OG1 2.77Å; T37-S39 VanDerWaalsContact C-N 3.31Å; T37-S39 PolarHBondContact O-N 3.47Å; T37-A40 PolarHBondContact O-N 3.34Å; T37-L41 PolarHBondContact O-N 3.17Å |
| 38 | S | 56.5 | Low | 60.6 | Low | 65 Ų | 65 | 97.5 Ų | 97.5 | 46% | 0.455 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.6 | -38.4 | 174.1 | -59.9 | 0 | 0 | 0 | 0 | 112.2 | S34 F35 L41 L42 | S34-S38 VanDerWaalsContact O-CB 3.29Å; S34-S38 WeakPolarHBondContact O-CB 3.33Å; S34-S38 PolarHBondContact O-N 2.88Å; S34-S38 PolarHBondContact O-OG 3.44Å; F35-S38 PolarHBondContact O-N 2.87Å; S38-L41 WeakPolarHBondContact O-CB 3.48Å; S38-L41 PolarHBondContact O-N 3.46Å; S38-L42 WeakPolarHBondContact O-CG 3.33Å; S38-L42 PolarHBondContact O-N 3.3Å |
| 39 | S | 53.9 | Low | 58.1 | Low | 52 Ų | 52 | 94.5 Ų | 94.5 | 36% | 0.364 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -70.6 | -36.3 | 177.2 | -56.7 | 0 | 0 | 0 | 0 | 112.2 | F35 V36 T37 L41 L42 | F35-S39 VanDerWaalsContact O-CB 3.26Å; F35-S39 WeakPolarHBondContact O-CB 3.46Å; F35-S39 PolarHBondContact O-N 2.86Å; F35-S39 PolarHBondContact O-OG 3.08Å; V36-S39 PolarHBondContact O-N 2.97Å; T37-S39 VanDerWaalsContact C-N 3.31Å; T37-S39 PolarHBondContact O-N 3.47Å; S39-L41 VanDerWaalsContact C-N 3.33Å; S39-L42 WeakPolarHBondContact O-CB 3.29Å; S39-L42 PolarHBondContact O-N 3.32Å |
| 40 | A | 51.4 | Low | 55.4 | Low | 49 Ų | 49 | 94.1 Ų | 94.1 | 41% | 0.405 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68 | -33.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | V36 T37 L42 R43 | V36-A40 WeakPolarHBondContact O-CB 3.43Å; V36-A40 PolarHBondContact O-N 3.3Å; T37-A40 PolarHBondContact O-N 3.34Å; A40-L42 VanDerWaalsContact C-N 3.25Å; A40-L42 PolarHBondContact O-N 3.47Å; A40-R43 WeakPolarHBondContact O-CB 3.39Å; A40-R43 VanDerWaalsContact O-CG 3.29Å; A40-R43 WeakPolarHBondContact O-CG 3.37Å; A40-R43 PolarHBondContact O-N 2.89Å |
| 41 | L | 45.9 | Very low | 52.9 | Low | 118 Ų | 118 | 90.7 Ų | 90.7 | 62% | 0.618 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.9 | -26.9 | 172.1 | -92.4 | 148.1 | 0 | 0 | 0 | 113 | T37 S38 S39 R43 N46 | T37-L41 PolarHBondContact O-N 3.17Å; S38-L41 WeakPolarHBondContact O-CB 3.48Å; S38-L41 PolarHBondContact O-N 3.46Å; S39-L41 VanDerWaalsContact C-N 3.33Å; L41-R43 PolarHBondContact O-N 3.37Å; L41-N46 PolarHBondContact O-ND2 3.49Å |
| 42 | L | 44.9 | Very low | 50.4 | Low | 128 Ų | 128 | 96 Ų | 96 | 67% | 0.67 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | 8.9 | 176.7 | -71 | 166.9 | 0 | 0 | 0 | 114.1 | S38 S39 A40 | S38-L42 WeakPolarHBondContact O-CG 3.33Å; S38-L42 PolarHBondContact O-N 3.3Å; S39-L42 WeakPolarHBondContact O-CB 3.29Å; S39-L42 PolarHBondContact O-N 3.32Å; A40-L42 VanDerWaalsContact C-N 3.25Å; A40-L42 PolarHBondContact O-N 3.47Å |
| 43 | R | 46.1 | Very low | 48.2 | Very low | 176 Ų | 176 | 97 Ų | 97 | 66% | 0.664 | 52% | 0.522 | S | S | * | . | trans | -50.1 | 136.8 | 171.8 | -86.8 | 178.2 | 178.3 | -174.7 | 1.5 | 110.9 | A40 L41 D45 N46 | A40-R43 WeakPolarHBondContact O-CB 3.39Å; A40-R43 VanDerWaalsContact O-CG 3.29Å; A40-R43 WeakPolarHBondContact O-CG 3.37Å; A40-R43 PolarHBondContact O-N 2.89Å; L41-R43 PolarHBondContact O-N 3.37Å; R43-D45 PolarHBondContact O-N 2.77Å; R43-D45 VanDerWaalsContact O-N 3.07Å; R43-N46 WeakPolarHBondContact O-CB 3.33Å; R43-N46 PolarHBondContact O-N 2.94Å | ||
| 44 | P | 44.8 | Very low | 46 | Very low | 82 Ų | 82 | 102.6 Ų | 102.6 | 53% | 0.532 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -59.3 | -24.9 | -170.4 | 20.5 | -30.8 | 0 | 0 | 0 | 114.2 | N46 R47 | P44-N46 VanDerWaalsContact C-N 3.29Å; P44-N46 PolarHBondContact O-N 2.69Å; P44-R47 VanDerWaalsContact O-CB 3.24Å; P44-R47 WeakPolarHBondContact O-CB 3.37Å; P44-R47 PolarHBondContact O-N 2.97Å |
| 45 | D | 45.9 | Very low | 44.1 | Very low | 138 Ų | 138 | 109.7 Ų | 109.7 | 74% | 0.738 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -66 | -29.7 | 174.7 | -70.1 | -31.2 | 0 | 0 | 0 | 113.2 | R43 R47 | R43-D45 PolarHBondContact O-N 2.77Å; R43-D45 VanDerWaalsContact O-N 3.07Å; D45-R47 VanDerWaalsContact C-N 3.29Å; D45-R47 PolarHBondContact O-N 3.2Å |
| 46 | N | 39.2 | Very low | 42.3 | Very low | 69 Ų | 69 | 109.5 Ų | 109.5 | 37% | 0.369 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -78.6 | -11.8 | 172.7 | -77.4 | -15.9 | 0 | 0 | 0 | 112.7 | L41 R43 P44 H48 A49 V50 | L41-N46 PolarHBondContact O-ND2 3.49Å; R43-N46 WeakPolarHBondContact O-CB 3.33Å; R43-N46 PolarHBondContact O-N 2.94Å; P44-N46 VanDerWaalsContact C-N 3.29Å; P44-N46 PolarHBondContact O-N 2.69Å; N46-H48 PolarHBondContact O-N 3Å; N46-A49 PolarHBondContact O-N 2.92Å; N46-A49 VanDerWaalsContact O-N 3.07Å; N46-V50 WeakPolarHBondContact O-CB 3.38Å; N46-V50 VanDerWaalsContact O-CG2 3.29Å; N46-V50 WeakPolarHBondContact O-CG2 2.91Å; N46-V50 PolarHBondContact O-N 3.26Å |
| 47 | R | 34.3 | Very low | 40.6 | Very low | 174 Ų | 174 | 108.7 Ų | 108.7 | 66% | 0.657 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -62.5 | -30.9 | 174.4 | -67.1 | 178.2 | 179.4 | -168.4 | -1.2 | 110.9 | P44 D45 A51 | P44-R47 VanDerWaalsContact O-CB 3.24Å; P44-R47 WeakPolarHBondContact O-CB 3.37Å; P44-R47 PolarHBondContact O-N 2.97Å; D45-R47 VanDerWaalsContact C-N 3.29Å; D45-R47 PolarHBondContact O-N 3.2Å; R47-A51 WeakPolarHBondContact O-CA 3.47Å; R47-A51 WeakPolarHBondContact O-CB 3.39Å; R47-A51 PolarHBondContact O-N 3.4Å |
| 48 | H | 33.6 | Very low | 39.1 | Very low | 132 Ų | 132 | 110.8 Ų | 110.8 | 61% | 0.611 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -78.1 | -26.4 | 174 | -69.3 | -74.2 | 0 | 0 | 0 | 113.6 | N46 R52 | N46-H48 PolarHBondContact O-N 3Å; H48-R52 WeakPolarHBondContact O-CB 3.35Å; H48-R52 WeakPolarHBondContact O-CG 3.26Å; H48-R52 PolarHBondContact O-N 3.33Å; H48-R52 VanDerWaalsContact O-N 3.11Å; H48-R52 PolarHBondContact O-NE 3.46Å |
| 49 | A | 35 | Very low | 38 | Very low | 46 Ų | 46 | 110.6 Ų | 110.6 | 38% | 0.38 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -75.6 | -47.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111 | N46 R52 V53 | N46-A49 PolarHBondContact O-N 2.92Å; N46-A49 VanDerWaalsContact O-N 3.07Å; A49-R52 PolarHBondContact O-N 3.36Å; A49-V53 WeakPolarHBondContact O-CG2 3.49Å; A49-V53 PolarHBondContact O-N 3.49Å |
| 50 | V | 31 | Very low | 37.1 | Very low | 85 Ų | 85 | 115.2 Ų | 115.2 | 52% | 0.515 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -69.6 | -37.4 | 178.4 | 178.1 | 0 | 0 | 0 | 0 | 111.5 | N46 K54 | N46-V50 WeakPolarHBondContact O-CB 3.38Å; N46-V50 VanDerWaalsContact O-CG2 3.29Å; N46-V50 WeakPolarHBondContact O-CG2 2.91Å; N46-V50 PolarHBondContact O-N 3.26Å; V50-K54 WeakPolarHBondContact O-CB 3.5Å; V50-K54 PolarHBondContact O-N 3.32Å |
| 51 | A | 30.1 | Very low | 36.3 | Very low | 32 Ų | 32 | 116.3 Ų | 116.3 | 26% | 0.264 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -72.4 | -29.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | R47 V53 R55 | R47-A51 WeakPolarHBondContact O-CA 3.47Å; R47-A51 WeakPolarHBondContact O-CB 3.39Å; R47-A51 PolarHBondContact O-N 3.4Å; A51-V53 VanDerWaalsContact C-N 3.34Å; A51-R55 VanDerWaalsContact O-CB 3.24Å; A51-R55 WeakPolarHBondContact O-CB 3.43Å; A51-R55 VanDerWaalsContact O-CG 3.27Å; A51-R55 WeakPolarHBondContact O-CG 3.4Å; A51-R55 PolarHBondContact O-N 3.42Å |
| 52 | R | 30.1 | Very low | 35.8 | Very low | 179 Ų | 179 | 115.4 Ų | 115.4 | 68% | 0.675 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -65 | -39 | 173 | -96.3 | -171.8 | -82.5 | -158.5 | -2.3 | 111.6 | H48 A49 | H48-R52 WeakPolarHBondContact O-CB 3.35Å; H48-R52 WeakPolarHBondContact O-CG 3.26Å; H48-R52 PolarHBondContact O-N 3.33Å; H48-R52 VanDerWaalsContact O-N 3.11Å; H48-R52 PolarHBondContact O-NE 3.46Å; A49-R52 PolarHBondContact O-N 3.36Å |
| 53 | V | 33.1 | Very low | 35.4 | Very low | 78 Ų | 78 | 116.6 Ų | 116.6 | 47% | 0.473 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -77.2 | -34.2 | 177.9 | -169.2 | 0 | 0 | 0 | 0 | 112.5 | A49 A51 R55 Y87 | A49-V53 WeakPolarHBondContact O-CG2 3.49Å; A49-V53 PolarHBondContact O-N 3.49Å; A51-V53 VanDerWaalsContact C-N 3.34Å; V53-R55 VanDerWaalsContact C-N 3.33Å; V53-R55 PolarHBondContact O-N 3.3Å; V53-Y87 HydrophobicContact CG1-CE2 4.39Å; V53-Y87 WeakPolarHBondContact CG1-OH 3.1Å |
| 54 | K | 31.4 | Very low | 35 | Very low | 171 Ų | 171 | 110.7 Ų | 110.7 | 74% | 0.743 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -70.4 | -21.7 | 173.9 | -99 | -176.9 | 172.1 | -178.1 | 0 | 114.9 | V50 | V50-K54 WeakPolarHBondContact O-CB 3.5Å; V50-K54 PolarHBondContact O-N 3.32Å |
| 55 | R | 30.9 | Very low | 34.5 | Very low | 208 Ų | 208 | 111.4 Ų | 111.4 | 79% | 0.785 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -95.5 | -10.2 | -176.5 | -77.2 | 178.4 | 169.4 | 166 | -2.8 | 114.8 | A51 V53 | A51-R55 VanDerWaalsContact O-CB 3.24Å; A51-R55 WeakPolarHBondContact O-CB 3.43Å; A51-R55 VanDerWaalsContact O-CG 3.27Å; A51-R55 WeakPolarHBondContact O-CG 3.4Å; A51-R55 PolarHBondContact O-N 3.42Å; V53-R55 VanDerWaalsContact C-N 3.33Å; V53-R55 PolarHBondContact O-N 3.3Å |
| 56 | L | 37.5 | Very low | 34.2 | Very low | 141 Ų | 141 | 108.3 Ų | 108.3 | 74% | 0.738 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -84.8 | -4.2 | -178.8 | -100.4 | 154.4 | 0 | 0 | 0 | 114.4 | ||
| 57 | V | 35.7 | Very low | 34.1 | Very low | 78 Ų | 78 | 113.8 Ų | 113.8 | 47% | 0.473 | 61% | 0.613 | S | S | . | * | trans | -130 | 85.7 | 173.2 | -162.9 | 0 | 0 | 0 | 0 | 110.5 | G59 F60 | V57-G59 PolarHBondContact O-N 3.14Å; V57-G59 VanDerWaalsContact O-N 3.13Å; V57-F60 HydrophobicContact CB-CB 4.3Å; V57-F60 HydrophobicContact CG1-CB 3.61Å; V57-F60 HydrophobicContact CG1-CD2 3.28Å; V57-F60 HydrophobicContact CG1-CE2 4.16Å; V57-F60 HydrophobicContact CG1-CG 3.7Å | ||
| 58 | P | 29.2 | Very low | 33.9 | Very low | 126 Ų | 126 | 112.6 Ų | 112.6 | 82% | 0.818 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.7 | 111.1 | 166.9 | -7.1 | 22.9 | 0 | 0 | 0 | 107.7 | ||
| 59 | G | 33.2 | Very low | 33.9 | Very low | 60 Ų | 60 | 110.8 Ų | 110.8 | 62% | 0.619 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 120.5 | -5.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 118 | V57 G61 | V57-G59 PolarHBondContact O-N 3.14Å; V57-G59 VanDerWaalsContact O-N 3.13Å; G59-G61 PolarHBondContact O-N 2.65Å |
| 60 | F | 36.1 | Very low | 34.2 | Very low | 149 Ų | 149 | 114 Ų | 114 | 65% | 0.654 | 63% | 0.634 | S | S | * | * | trans | -91.3 | 8.5 | -171.6 | -110.3 | -99.3 | 0 | 0 | 0 | 116.8 | V57 | V57-F60 HydrophobicContact CB-CB 4.3Å; V57-F60 HydrophobicContact CG1-CB 3.61Å; V57-F60 HydrophobicContact CG1-CD2 3.28Å; V57-F60 HydrophobicContact CG1-CE2 4.16Å; V57-F60 HydrophobicContact CG1-CG 3.7Å | ||
| 61 | G | 35.1 | Very low | 34.4 | Very low | 73 Ų | 73 | 116.7 Ų | 116.7 | 75% | 0.753 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -105.2 | -18.3 | -173.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | G59 | G59-G61 PolarHBondContact O-N 2.65Š|
| 62 | A | 34.9 | Very low | 34.5 | Very low | 98 Ų | 98 | 122.4 Ų | 122.4 | 81% | 0.81 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -104.3 | -14.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 63 | L | 37.3 | Very low | 34.6 | Very low | 154 Ų | 154 | 123.1 Ų | 123.1 | 81% | 0.806 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -120.1 | 27 | -178 | -68.1 | 171 | 0 | 0 | 0 | 111.6 | P65 | L63-P65 WeakPolarHBondContact O-CD 3.33Å; L63-P65 VanDerWaalsContact O-N 3.09Å |
| 64 | D | 37.1 | Very low | 34.4 | Very low | 51 Ų | 51 | 129.2 Ų | 129.2 | 27% | 0.273 | 70% | 0.695 | S | S | . | * | trans | -63.2 | 109.8 | 179.1 | -168.3 | -5.5 | 0 | 0 | 0 | 109.6 | L66 F67 | D64-L66 PolarHBondContact O-N 2.99Å; D64-L66 WeakPolarHBondContact OD1-CB 3.43Å; D64-L66 WeakPolarHBondContact OD1-CD1 3.44Å; D64-L66 WeakPolarHBondContact OD1-CG 3.37Å; D64-L66 PolarHBondContact OD1-N 3.42Å; D64-F67 HydrophobicContact CB-CD2 4.39Å; D64-F67 PolarHBondContact O-N 3.5Å | ||
| 65 | P | 34.6 | Very low | 34.4 | Very low | 98 Ų | 98 | 126.7 Ų | 126.7 | 64% | 0.636 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -69.1 | -4.6 | -177.8 | 28.3 | -30.6 | 0 | 0 | 0 | 112.3 | L63 F67 M68 | L63-P65 WeakPolarHBondContact O-CD 3.33Å; L63-P65 VanDerWaalsContact O-N 3.09Å; P65-F67 PolarHBondContact O-N 3.2Å; P65-M68 PolarHBondContact O-N 3.4Å |
| 66 | L | 39.7 | Very low | 34.4 | Very low | 73 Ų | 73 | 123.2 Ų | 123.2 | 38% | 0.382 | 69% | 0.693 | S | S | . | * | G | 310 helix | trans | -66.3 | -12.7 | 173.5 | -72 | 167.5 | 0 | 0 | 0 | 114.3 | D64 W83 G84 | D64-L66 PolarHBondContact O-N 2.99Å; D64-L66 WeakPolarHBondContact OD1-CB 3.43Å; D64-L66 WeakPolarHBondContact OD1-CD1 3.44Å; D64-L66 WeakPolarHBondContact OD1-CG 3.37Å; D64-L66 PolarHBondContact OD1-N 3.42Å; L66-W83 HydrophobicContact CD2-CD2 4.41Å; L66-W83 HydrophobicContact CD2-CE3 3.96Å; L66-W83 HydrophobicContact CD2-CH2 3.67Å; L66-W83 HydrophobicContact CD2-CZ2 4.13Å; L66-W83 HydrophobicContact CD2-CZ3 3.57Å; L66-G84 WeakPolarHBondContact CD1-O 3.37Å |
| 67 | F | 36.6 | Very low | 33.8 | Very low | 183 Ų | 183 | 121.9 Ų | 121.9 | 80% | 0.803 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -105.7 | 2.1 | 174.1 | -66.1 | -80.2 | 0 | 0 | 0 | 113.9 | D64 P65 | D64-F67 HydrophobicContact CB-CD2 4.39Å; D64-F67 PolarHBondContact O-N 3.5Å; P65-F67 PolarHBondContact O-N 3.2Å |
| 68 | M | 30.6 | Very low | 33.2 | Very low | 149 Ų | 149 | 120.5 Ų | 120.5 | 73% | 0.734 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -104.2 | 129.4 | 176.2 | -91.4 | 164.3 | 65.1 | 0 | 0 | 110.9 | P65 | P65-M68 PolarHBondContact O-N 3.4Š|
| 69 | P | 33.6 | Very low | 33.1 | Very low | 95 Ų | 95 | 125 Ų | 125 | 62% | 0.617 | 70% | 0.702 | S | S | * | * | trans | -60.2 | 148.1 | 174.3 | 24.7 | -31.6 | 0 | 0 | 0 | 110.5 | L71 | P69-L71 PolarHBondContact O-N 3.18Š| ||
| 70 | P | 39.6 | Very low | 33.1 | Very low | 114 Ų | 114 | 126.5 Ų | 126.5 | 74% | 0.74 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -73.4 | 87.4 | -167.8 | 31.1 | -34.4 | 0 | 0 | 0 | 110 | ||
| 71 | L | 35.8 | Very low | 32.9 | Very low | 141 Ų | 141 | 131 Ų | 131 | 74% | 0.738 | 71% | 0.711 | S | S | * | * | trans | -116.1 | -6.3 | -179.9 | -81.5 | 166.3 | 0 | 0 | 0 | 114.3 | P69 | P69-L71 PolarHBondContact O-N 3.18Š| ||
| 72 | N | 33.5 | Very low | 32.9 | Very low | 151 Ų | 151 | 136.5 Ų | 136.5 | 81% | 0.807 | 71% | 0.71 | S | S | * | * | trans | -146.2 | 92.6 | 173.9 | -74.6 | -48.7 | 0 | 0 | 0 | 110.5 | Y74 | N72-Y74 PolarHBondContact O-N 2.95Š| ||
| 73 | F | 32.1 | Very low | 33.1 | Very low | 195 Ų | 195 | 138.9 Ų | 138.9 | 86% | 0.855 | 70% | 0.698 | S | S | * | * | trans | -64.7 | 110.3 | 161.5 | -81.9 | -90.1 | 0 | 0 | 0 | 108 | ||||
| 74 | Y | 28.4 | Very low | 32.9 | Very low | 205 Ų | 205 | 134.1 Ų | 134.1 | 80% | 0.804 | 69% | 0.687 | S | S | * | * | trans | -85.4 | 122 | 163.9 | -125.4 | -93 | 0 | 0 | 0 | 108.3 | N72 D76 | N72-Y74 PolarHBondContact O-N 2.95Å; Y74-D76 PolarHBondContact O-N 3.13Å | ||
| 75 | P | 30.6 | Very low | 32.7 | Very low | 119 Ų | 119 | 134 Ų | 134 | 77% | 0.773 | 70% | 0.698 | S | S | * | * | trans | -82.3 | 103.6 | 176.9 | 31 | -28.5 | 0 | 0 | 0 | 108.6 | ||||
| 76 | D | 30.2 | Very low | 32.6 | Very low | 135 Ų | 135 | 132.1 Ų | 132.1 | 72% | 0.722 | 70% | 0.696 | S | S | * | * | trans | -103.3 | 129.5 | 172.9 | -122.4 | -10.7 | 0 | 0 | 0 | 111.3 | Y74 | Y74-D76 PolarHBondContact O-N 3.13Š| ||
| 77 | P | 26.4 | Very low | 32.3 | Very low | 113 Ų | 113 | 136.6 Ų | 136.6 | 73% | 0.734 | 71% | 0.709 | S | S | * | * | trans | -87.9 | 118.2 | -166.2 | 33.8 | -30 | 0 | 0 | 0 | 111.1 | ||||
| 78 | G | 23.6 | Very low | 32.1 | Very low | 49 Ų | 49 | 138.1 Ų | 138.1 | 51% | 0.505 | 71% | 0.709 | S | S | . | * | S | Bend | trans | 78.1 | 114.9 | 167.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | V80 | G78-V80 PolarHBondContact O-N 3.26Š|
| 79 | F | 26.6 | Very low | 32.3 | Very low | 221 Ų | 221 | 137.5 Ų | 137.5 | 97% | 0.969 | 72% | 0.716 | S | S | * | * | S | Bend | trans | 64.5 | 31.1 | 154.2 | -59.6 | -79.1 | 0 | 0 | 0 | 119.3 | ||
| 80 | V | 31.8 | Very low | 32.2 | Very low | 90 Ų | 90 | 136.8 Ų | 136.8 | 55% | 0.545 | 71% | 0.71 | S | S | . | * | trans | -124.1 | 103.9 | 169.3 | -175 | 0 | 0 | 0 | 0 | 110.8 | G78 Y82 | G78-V80 PolarHBondContact O-N 3.26Å; V80-Y82 HydrophobicContact CG1-CD2 3.25Å; V80-Y82 HydrophobicContact CG1-CE2 3.32Å; V80-Y82 HydrophobicContact CG1-CG 4.45Å | ||
| 81 | R | 33.7 | Very low | 31.8 | Very low | 244 Ų | 244 | 135.1 Ų | 135.1 | 92% | 0.921 | 71% | 0.706 | S | S | * | * | trans | -118.2 | 88.6 | 169.4 | -66.7 | -173.2 | -168.6 | -114.7 | 3.1 | 109.2 | ||||
| 82 | Y | 34.8 | Very low | 31.5 | Very low | 188 Ų | 188 | 135.7 Ų | 135.7 | 74% | 0.737 | 72% | 0.716 | S | S | * | * | trans | -92.9 | 115.6 | 164.4 | -70.1 | -76.5 | 0 | 0 | 0 | 108.9 | V80 | V80-Y82 HydrophobicContact CG1-CD2 3.25Å; V80-Y82 HydrophobicContact CG1-CE2 3.32Å; V80-Y82 HydrophobicContact CG1-CG 4.45Å | ||
| 83 | W | 39.1 | Very low | 31.3 | Very low | 148 Ų | 148 | 131.9 Ų | 131.9 | 56% | 0.561 | 71% | 0.712 | S | S | * | * | trans | -130.2 | 92.4 | 163.9 | -106.3 | 60.9 | 0 | 0 | 0 | 109 | L66 G85 Y96 A98 | L66-W83 HydrophobicContact CD2-CD2 4.41Å; L66-W83 HydrophobicContact CD2-CE3 3.96Å; L66-W83 HydrophobicContact CD2-CH2 3.67Å; L66-W83 HydrophobicContact CD2-CZ2 4.13Å; L66-W83 HydrophobicContact CD2-CZ3 3.57Å; W83-G85 VanDerWaalsContact C-N 3.33Å; W83-G85 PolarHBondContact O-N 3.41Å; W83-G85 VanDerWaalsContact O-N 3.17Å; W83-Y96 HydrophobicContact CZ3-CD1 4.05Å; W83-A98 HydrophobicContact CB-CB 4.11Å | ||
| 84 | G | 32.4 | Very low | 31.2 | Very low | 55 Ų | 55 | 126.8 Ų | 126.8 | 57% | 0.567 | 70% | 0.697 | S | S | * | * | trans | -82.7 | 68 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L66 G86 | L66-G84 WeakPolarHBondContact CD1-O 3.37Å; G84-G86 PolarHBondContact O-N 3.44Å | ||
| 85 | G | 32.4 | Very low | 31.3 | Very low | 49 Ų | 49 | 126.5 Ų | 126.5 | 51% | 0.505 | 70% | 0.7 | S | S | . | * | trans | -80.7 | 102.6 | 165.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | W83 | W83-G85 VanDerWaalsContact C-N 3.33Å; W83-G85 PolarHBondContact O-N 3.41Å; W83-G85 VanDerWaalsContact O-N 3.17Å | ||
| 86 | G | 33.3 | Very low | 31.2 | Very low | 58 Ų | 58 | 129.6 Ų | 129.6 | 60% | 0.598 | 70% | 0.698 | S | S | * | * | trans | -46.4 | 148.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | G84 R88 | G84-G86 PolarHBondContact O-N 3.44Å; G86-R88 PolarHBondContact O-N 3.3Å | ||
| 87 | Y | 32.9 | Very low | 31.2 | Very low | 167 Ų | 167 | 126.1 Ų | 126.1 | 66% | 0.655 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -34.8 | 87.1 | -179.9 | -62.9 | -85.7 | 0 | 0 | 0 | 114.9 | V53 | V53-Y87 HydrophobicContact CG1-CE2 4.39Å; V53-Y87 WeakPolarHBondContact CG1-OH 3.1Å |
| 88 | R | 31.9 | Very low | 31.7 | Very low | 214 Ų | 214 | 123.1 Ų | 123.1 | 81% | 0.808 | 68% | 0.678 | S | S | * | * | trans | -126.7 | 125.8 | 162.6 | -71 | -165.9 | 177.3 | -143.2 | 1.7 | 108.3 | G86 V90 | G86-R88 PolarHBondContact O-N 3.3Å; R88-V90 PolarHBondContact O-N 2.85Å | ||
| 89 | P | 35.2 | Very low | 32.3 | Very low | 136 Ų | 136 | 125.7 Ų | 125.7 | 88% | 0.883 | 69% | 0.686 | S | S | * | * | trans | -64.9 | 109.2 | 167.4 | 25.7 | -29.2 | 0 | 0 | 0 | 107.6 | ||||
| 90 | V | 32.3 | Very low | 32.8 | Very low | 80 Ų | 80 | 121.1 Ų | 121.1 | 49% | 0.485 | 67% | 0.671 | S | S | . | * | trans | -89.1 | 122.8 | 178 | 176.4 | 0 | 0 | 0 | 0 | 107.6 | R88 T94 | R88-V90 PolarHBondContact O-N 2.85Å; V90-T94 WeakPolarHBondContact CG1-OG1 3.49Å | ||
| 91 | A | 30.2 | Very low | 32.9 | Very low | 79 Ų | 79 | 124.1 Ų | 124.1 | 65% | 0.653 | 68% | 0.683 | S | S | * | * | trans | -58 | 144.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | G93 T94 | A91-G93 PolarHBondContact O-N 3.41Å; A91-G93 VanDerWaalsContact O-N 3.1Å; A91-T94 PolarHBondContact O-OG1 3Å | ||
| 92 | T | 29.9 | Very low | 32.8 | Very low | 154 Ų | 154 | 117.7 Ų | 117.7 | 95% | 0.945 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48.5 | 114.7 | 178.2 | 36.6 | 0 | 0 | 0 | 0 | 111.4 | ||
| 93 | G | 30 | Very low | 32.8 | Very low | 70 Ų | 70 | 121 Ų | 121 | 72% | 0.722 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 128 | -8.8 | 173 | 0 | 0 | 0 | 0 | 0 | 116.4 | A91 | A91-G93 PolarHBondContact O-N 3.41Å; A91-G93 VanDerWaalsContact O-N 3.1Å |
| 94 | T | 29.6 | Very low | 32.5 | Very low | 89 Ų | 89 | 117.5 Ų | 117.5 | 55% | 0.546 | 69% | 0.687 | S | S | . | * | trans | -105.9 | 113.4 | 176.8 | 38.7 | 0 | 0 | 0 | 0 | 112 | V90 A91 Y96 | V90-T94 WeakPolarHBondContact CG1-OG1 3.49Å; A91-T94 PolarHBondContact O-OG1 3Å; T94-Y96 VanDerWaalsContact C-N 3.32Å; T94-Y96 PolarHBondContact O-N 3.3Å | ||
| 95 | F | 30 | Very low | 32.6 | Very low | 199 Ų | 199 | 117.9 Ų | 117.9 | 87% | 0.873 | 68% | 0.678 | S | S | * | * | trans | -73 | 75.5 | 174.7 | -72.3 | -92.3 | 0 | 0 | 0 | 111.4 | ||||
| 96 | Y | 28.2 | Very low | 32.6 | Very low | 184 Ų | 184 | 118 Ų | 118 | 72% | 0.722 | 67% | 0.672 | S | S | * | * | trans | -148.4 | 111.1 | 165.3 | -76.9 | -77.5 | 0 | 0 | 0 | 110 | W83 T94 | W83-Y96 HydrophobicContact CZ3-CD1 4.05Å; T94-Y96 VanDerWaalsContact C-N 3.32Å; T94-Y96 PolarHBondContact O-N 3.3Å | ||
| 97 | G | 31.6 | Very low | 32.4 | Very low | 62 Ų | 62 | 116.7 Ų | 116.7 | 64% | 0.639 | 66% | 0.657 | S | S | * | * | trans | 134.5 | 109.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 98 | A | 35.5 | Very low | 32.3 | Very low | 49 Ų | 49 | 118.4 Ų | 118.4 | 41% | 0.405 | 66% | 0.664 | S | S | . | * | trans | -81.7 | 145.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | W83 | W83-A98 HydrophobicContact CB-CB 4.11Š| ||
| 99 | P | 36.4 | Very low | 32.6 | Very low | 103 Ų | 103 | 112.8 Ų | 112.8 | 67% | 0.669 | 65% | 0.65 | S | S | * | * | trans | -69.1 | 136.5 | -167 | 25.9 | -34.1 | 0 | 0 | 0 | 113.7 | L101 | P99-L101 PolarHBondContact O-N 2.83Š| ||
| 100 | I | 37.2 | Very low | 32.6 | Very low | 126 Ų | 126 | 108.7 Ų | 108.7 | 65% | 0.646 | 62% | 0.619 | S | S | * | * | trans | -74.8 | 112 | 171.8 | -61.2 | 171.6 | 0 | 0 | 0 | 108.7 | L102 | I100-L102 HydrophobicContact CG2-CG 4.36Å; I100-L102 PolarHBondContact O-N 2.68Å | ||
| 101 | L | 34.1 | Very low | 32.6 | Very low | 153 Ų | 153 | 107.6 Ų | 107.6 | 80% | 0.801 | 62% | 0.618 | S | S | * | * | trans | -77 | 92.9 | 171.5 | -74.5 | 159.8 | 0 | 0 | 0 | 109.9 | P99 | P99-L101 PolarHBondContact O-N 2.83Š| ||
| 102 | L | 31.9 | Very low | 33 | Very low | 109 Ų | 109 | 107.6 Ų | 107.6 | 57% | 0.571 | 62% | 0.618 | S | S | * | * | trans | -82 | 114.3 | 164 | -87.4 | 156.3 | 0 | 0 | 0 | 108.5 | I100 G104 T105 | I100-L102 HydrophobicContact CG2-CG 4.36Å; I100-L102 PolarHBondContact O-N 2.68Å; L102-G104 PolarHBondContact O-N 3.01Å; L102-T105 WeakPolarHBondContact CB-OG1 3.49Å; L102-T105 PolarHBondContact O-N 3.36Å; L102-T105 PolarHBondContact O-OG1 3.23Å | ||
| 103 | R | 34.1 | Very low | 33.5 | Very low | 258 Ų | 258 | 106.6 Ų | 106.6 | 97% | 0.974 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.1 | 111.4 | 165.9 | -93.3 | -172.3 | 175.4 | -152.3 | -0.5 | 107.7 | ||
| 104 | G | 34 | Very low | 34 | Very low | 74 Ų | 74 | 104.6 Ų | 104.6 | 76% | 0.763 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 112 | -11.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | L102 | L102-G104 PolarHBondContact O-N 3.01Š|
| 105 | T | 34.8 | Very low | 34.4 | Very low | 63 Ų | 63 | 101.9 Ų | 101.9 | 39% | 0.387 | 58% | 0.576 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -122.5 | 3.7 | 174.8 | 59.9 | 0 | 0 | 0 | 0 | 113.8 | L102 G107 Y108 | L102-T105 WeakPolarHBondContact CB-OG1 3.49Å; L102-T105 PolarHBondContact O-N 3.36Å; L102-T105 PolarHBondContact O-OG1 3.23Å; T105-G107 PolarHBondContact O-N 3.48Å; T105-Y108 PolarHBondContact O-N 3.02Å |
| 106 | S | 31.1 | Very low | 35 | Very low | 52 Ų | 52 | 97.6 Ų | 97.6 | 36% | 0.364 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -59.5 | -28.3 | -179.6 | 48.7 | 0 | 0 | 0 | 0 | 113.8 | Q110 | S106-Q110 WeakPolarHBondContact O-CB 3.29Å; S106-Q110 PolarHBondContact O-N 3.4Å |
| 107 | G | 28.9 | Very low | 35.7 | Very low | 29 Ų | 29 | 96.3 Ų | 96.3 | 30% | 0.299 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -70.3 | -31.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | T105 | T105-G107 PolarHBondContact O-N 3.48Å |
| 108 | Y | 32.6 | Very low | 36.2 | Very low | 203 Ų | 203 | 96.8 Ų | 96.8 | 80% | 0.796 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -83.9 | -35.1 | -175.3 | -82.1 | -84.2 | 0 | 0 | 0 | 113.1 | T105 A112 | T105-Y108 PolarHBondContact O-N 3.02Å; Y108-A112 PolarHBondContact O-N 3.4Å |
| 109 | L | 36.4 | Very low | 36.2 | Very low | 96 Ų | 96 | 99.6 Ų | 99.6 | 50% | 0.503 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -79.2 | -26.7 | 179 | -94 | 145.1 | 0 | 0 | 0 | 112.8 | A112 L113 | L109-A112 WeakPolarHBondContact O-CB 3.39Å; L109-A112 PolarHBondContact O-N 3Å; L109-L113 HydrophobicContact CD2-CD1 4.26Å; L109-L113 WeakPolarHBondContact O-CB 3.49Å; L109-L113 WeakPolarHBondContact O-CG 3.46Å; L109-L113 PolarHBondContact O-N 3.03Å; L109-L113 VanDerWaalsContact O-N 3.08Å |
| 110 | Q | 36.4 | Very low | 36.1 | Very low | 50 Ų | 50 | 101.1 Ų | 101.1 | 23% | 0.234 | 56% | 0.557 | C | S | . | * | H | α-helix | trans | -73 | -34.2 | 176.7 | -168.5 | 163.2 | 23.8 | 0 | 0 | 112.8 | S106 A112 L113 G114 N118 N122 | S106-Q110 WeakPolarHBondContact O-CB 3.29Å; S106-Q110 PolarHBondContact O-N 3.4Å; Q110-A112 PolarHBondContact O-N 3.05Å; Q110-L113 PolarHBondContact O-N 3.32Å; Q110-G114 PolarHBondContact O-N 3.34Å; Q110-N118 HydrophobicContact CG-CB 4.26Å; Q110-N122 PolarHBondContact NE2-ND2 3.07Å; Q110-N122 PolarHBondContact OE1-ND2 3.27Å |
| 111 | A | 31.6 | Very low | 36.3 | Very low | 58 Ų | 58 | 100.2 Ų | 100.2 | 48% | 0.479 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.3 | -30.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 112 | A | 38.1 | Very low | 36.9 | Very low | 79 Ų | 79 | 95.3 Ų | 95.3 | 65% | 0.653 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -81.1 | -21.3 | 179 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y108 L109 Q110 | Y108-A112 PolarHBondContact O-N 3.4Å; L109-A112 WeakPolarHBondContact O-CB 3.39Å; L109-A112 PolarHBondContact O-N 3Å; Q110-A112 PolarHBondContact O-N 3.05Å |
| 113 | L | 41.8 | Very low | 37.5 | Very low | 133 Ų | 133 | 93.8 Ų | 93.8 | 70% | 0.696 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -114.5 | -16.8 | -172.7 | -71 | 166.9 | 0 | 0 | 0 | 114.7 | L109 Q110 | L109-L113 HydrophobicContact CD2-CD1 4.26Å; L109-L113 WeakPolarHBondContact O-CB 3.49Å; L109-L113 WeakPolarHBondContact O-CG 3.46Å; L109-L113 PolarHBondContact O-N 3.03Å; L109-L113 VanDerWaalsContact O-N 3.08Å; Q110-L113 PolarHBondContact O-N 3.32Å |
| 114 | G | 39.8 | Very low | 37.8 | Very low | 27 Ų | 27 | 88.6 Ų | 88.6 | 28% | 0.278 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -131.3 | 4.7 | -169.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | Q110 N118 | Q110-G114 PolarHBondContact O-N 3.34Å; G114-N118 PolarHBondContact O-ND2 3.06Å |
| 115 | G | 38.5 | Very low | 38.3 | Very low | 33 Ų | 33 | 89 Ų | 89 | 34% | 0.34 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | 65.6 | 169.6 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | E117 N118 | G115-E117 PolarHBondContact O-N 3.04Å; G115-E117 VanDerWaalsContact O-N 3.14Å; G115-N118 PolarHBondContact O-N 3.31Å |
| 116 | P | 42.2 | Very low | 38.9 | Very low | 109 Ų | 109 | 90.2 Ų | 90.2 | 71% | 0.708 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -61.8 | -23 | -173.9 | 23.5 | -33.1 | 0 | 0 | 0 | 114 | N118 Y119 | P116-N118 VanDerWaalsContact C-N 3.33Å; P116-N118 PolarHBondContact O-N 3.23Å; P116-Y119 PolarHBondContact O-N 3.02Å |
| 117 | E | 41.8 | Very low | 39.7 | Very low | 157 Ų | 157 | 93.2 Ų | 93.2 | 73% | 0.734 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.5 | -34.7 | -179 | -61 | -177.6 | 177.4 | 0 | 0 | 112.5 | G115 L121 | G115-E117 PolarHBondContact O-N 3.04Å; G115-E117 VanDerWaalsContact O-N 3.14Å; E117-L121 PolarHBondContact O-N 3.43Å |
| 118 | N | 42.9 | Very low | 40.1 | Very low | 71 Ų | 71 | 96.1 Ų | 96.1 | 38% | 0.38 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -78 | -20.6 | 179.8 | -83.8 | -59.6 | 0 | 0 | 0 | 113.6 | Q110 G114 G115 P116 N122 | Q110-N118 HydrophobicContact CG-CB 4.26Å; G114-N118 PolarHBondContact O-ND2 3.06Å; G115-N118 PolarHBondContact O-N 3.31Å; P116-N118 VanDerWaalsContact C-N 3.33Å; P116-N118 PolarHBondContact O-N 3.23Å; N118-N122 PolarHBondContact O-N 3.19Å |
| 119 | Y | 35.9 | Very low | 40.5 | Very low | 108 Ų | 108 | 94.5 Ų | 94.5 | 42% | 0.424 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -69.6 | -45 | 174.9 | -179.4 | -94.7 | 0 | 0 | 0 | 111.2 | P116 L121 N122 Q123 | P116-Y119 PolarHBondContact O-N 3.02Å; Y119-L121 PolarHBondContact O-N 3.44Å; Y119-N122 PolarHBondContact O-N 2.85Å; Y119-Q123 HydrophobicContact CD1-CG 4.21Å; Y119-Q123 HydrophobicContact CE1-CG 3.86Å; Y119-Q123 WeakPolarHBondContact O-CG 3.24Å; Y119-Q123 PolarHBondContact O-N 3.23Å; Y119-Q123 PolarHBondContact OH-NE2 3.44Å; Y119-Q123 VanDerWaalsContact OH-NE2 3.16Å |
| 120 | M | 34.6 | Very low | 40.8 | Very low | 136 Ų | 136 | 97.6 Ų | 97.6 | 67% | 0.67 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.9 | -40.7 | 178.8 | -64 | -159.3 | -60 | 0 | 0 | 111.9 | N122 Q123 Y124 | M120-N122 VanDerWaalsContact C-N 3.3Å; M120-N122 PolarHBondContact O-N 2.79Å; M120-Q123 PolarHBondContact O-N 3.35Å; M120-Y124 WeakPolarHBondContact O-CB 2.94Å; M120-Y124 PolarHBondContact O-N 3.21Å |
| 121 | L | 41.2 | Very low | 41.2 | Very low | 107 Ų | 107 | 101.2 Ų | 101.2 | 56% | 0.56 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62.5 | -38.6 | 178.1 | -153.6 | 103.3 | 0 | 0 | 0 | 111.8 | E117 Y119 Y124 L125 | E117-L121 PolarHBondContact O-N 3.43Å; Y119-L121 PolarHBondContact O-N 3.44Å; L121-Y124 PolarHBondContact O-N 3.04Å; L121-L125 HydrophobicContact CD2-CD1 4.08Å; L121-L125 WeakPolarHBondContact O-CG 3.46Å; L121-L125 PolarHBondContact O-N 3.05Å |
| 122 | N | 45.8 | Very low | 41.4 | Very low | 49 Ų | 49 | 104.8 Ų | 104.8 | 26% | 0.262 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -78.6 | -27.2 | -179.5 | -137.1 | 3.4 | 0 | 0 | 0 | 113.4 | Q110 N118 Y119 M120 Y124 N126 | Q110-N122 PolarHBondContact NE2-ND2 3.07Å; Q110-N122 PolarHBondContact OE1-ND2 3.27Å; N118-N122 PolarHBondContact O-N 3.19Å; Y119-N122 PolarHBondContact O-N 2.85Å; M120-N122 VanDerWaalsContact C-N 3.3Å; M120-N122 PolarHBondContact O-N 2.79Å; N122-Y124 VanDerWaalsContact C-N 3.35Å; N122-N126 WeakPolarHBondContact O-CB 3.29Å; N122-N126 PolarHBondContact O-N 3.26Å; N122-N126 PolarHBondContact O-ND2 3.29Å |
| 123 | Q | 44.5 | Very low | 41.1 | Very low | 78 Ų | 78 | 108 Ų | 108 | 36% | 0.364 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.1 | -41.8 | 166.9 | -70 | -66.8 | -8.9 | 0 | 0 | 111.1 | Y119 M120 N126 Q127 | Y119-Q123 HydrophobicContact CD1-CG 4.21Å; Y119-Q123 HydrophobicContact CE1-CG 3.86Å; Y119-Q123 WeakPolarHBondContact O-CG 3.24Å; Y119-Q123 PolarHBondContact O-N 3.23Å; Y119-Q123 PolarHBondContact OH-NE2 3.44Å; Y119-Q123 VanDerWaalsContact OH-NE2 3.16Å; M120-Q123 PolarHBondContact O-N 3.35Å; Q123-N126 PolarHBondContact O-N 3.43Å; Q123-Q127 WeakPolarHBondContact O-CG 3.27Å; Q123-Q127 PolarHBondContact O-N 3.31Å |
| 124 | Y | 41.6 | Very low | 40.8 | Very low | 148 Ų | 148 | 106.3 Ų | 106.3 | 58% | 0.58 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -65.6 | -41.4 | 178.2 | -152.1 | -100.4 | 0 | 0 | 0 | 112.2 | M120 L121 N122 Q127 M128 | M120-Y124 WeakPolarHBondContact O-CB 2.94Å; M120-Y124 PolarHBondContact O-N 3.21Å; L121-Y124 PolarHBondContact O-N 3.04Å; N122-Y124 VanDerWaalsContact C-N 3.35Å; Y124-Q127 PolarHBondContact O-N 3.09Å; Y124-M128 HydrophobicContact CD1-CE 4.11Å; Y124-M128 HydrophobicContact CD1-SD 4.11Å; Y124-M128 HydrophobicContact CE1-CE 3.49Å; Y124-M128 VanDerWaalsContact CE1-CE 3.49Å; Y124-M128 HydrophobicContact CE1-SD 4.11Å; Y124-M128 WeakPolarHBondContact O-CG 3.49Å; Y124-M128 PolarHBondContact O-N 3.43Å |
| 125 | L | 44.6 | Very low | 40.4 | Very low | 84 Ų | 84 | 114.2 Ų | 114.2 | 44% | 0.44 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -67.9 | -36.4 | 176.2 | -74.1 | 166.2 | 0 | 0 | 0 | 113 | L121 M128 Y129 | L121-L125 HydrophobicContact CD2-CD1 4.08Å; L121-L125 WeakPolarHBondContact O-CG 3.46Å; L121-L125 PolarHBondContact O-N 3.05Å; L125-M128 PolarHBondContact O-N 3.16Å; L125-Y129 PolarHBondContact O-N 3.36Å |
| 126 | N | 46.1 | Very low | 39.9 | Very low | 88 Ų | 88 | 122.9 Ų | 122.9 | 47% | 0.471 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -67.1 | -39.4 | 174 | -83.1 | -30.4 | 0 | 0 | 0 | 112.1 | N122 Q123 M128 Y129 E130 | N122-N126 WeakPolarHBondContact O-CB 3.29Å; N122-N126 PolarHBondContact O-N 3.26Å; N122-N126 PolarHBondContact O-ND2 3.29Å; Q123-N126 PolarHBondContact O-N 3.43Å; N126-M128 VanDerWaalsContact C-N 3.31Å; N126-M128 PolarHBondContact O-N 3.22Å; N126-Y129 PolarHBondContact O-N 3.39Å; N126-E130 PolarHBondContact O-N 2.94Å |
| 127 | Q | 48.3 | Very low | 39.4 | Very low | 114 Ų | 114 | 124.4 Ų | 124.4 | 53% | 0.533 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -64.5 | -36.8 | 174 | -73.3 | 176.3 | -1.3 | 0 | 0 | 111.7 | Q123 Y124 E130 V131 | Q123-Q127 WeakPolarHBondContact O-CG 3.27Å; Q123-Q127 PolarHBondContact O-N 3.31Å; Y124-Q127 PolarHBondContact O-N 3.09Å; Q127-E130 PolarHBondContact O-N 3.48Å; Q127-V131 WeakPolarHBondContact O-CG2 3.38Å; Q127-V131 PolarHBondContact O-N 3.48Å |
| 128 | M | 37.8 | Very low | 38.8 | Very low | 91 Ų | 91 | 129.4 Ų | 129.4 | 45% | 0.448 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -67.8 | -34.1 | 174 | -74.5 | -175.3 | 155.3 | 0 | 0 | 112.7 | Y124 L125 N126 E130 V131 L132 | Y124-M128 HydrophobicContact CD1-CE 4.11Å; Y124-M128 HydrophobicContact CD1-SD 4.11Å; Y124-M128 HydrophobicContact CE1-CE 3.49Å; Y124-M128 VanDerWaalsContact CE1-CE 3.49Å; Y124-M128 HydrophobicContact CE1-SD 4.11Å; Y124-M128 WeakPolarHBondContact O-CG 3.49Å; Y124-M128 PolarHBondContact O-N 3.43Å; L125-M128 PolarHBondContact O-N 3.16Å; N126-M128 VanDerWaalsContact C-N 3.31Å; N126-M128 PolarHBondContact O-N 3.22Å; M128-E130 VanDerWaalsContact C-N 3.34Å; M128-E130 PolarHBondContact O-N 3.11Å; M128-V131 PolarHBondContact O-N 3.02Å; M128-L132 HydrophobicContact CB-CD1 4.46Å; M128-L132 WeakPolarHBondContact O-CB 3.22Å; M128-L132 WeakPolarHBondContact O-CD1 3.34Å; M128-L132 WeakPolarHBondContact O-CG 3.46Å; M128-L132 PolarHBondContact O-N 3.07Å; M128-L132 VanDerWaalsContact O-N 3.09Å |
| 129 | Y | 41.6 | Very low | 38.6 | Very low | 168 Ų | 168 | 132.3 Ų | 132.3 | 66% | 0.659 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -69.7 | -26.4 | 176.9 | -114.4 | -83.5 | 0 | 0 | 0 | 113.7 | L125 N126 Q133 | L125-Y129 PolarHBondContact O-N 3.36Å; N126-Y129 PolarHBondContact O-N 3.39Å; Y129-Q133 WeakPolarHBondContact O-CG 3.21Å |
| 130 | E | 40.9 | Very low | 38.8 | Very low | 162 Ų | 162 | 133.6 Ų | 133.6 | 76% | 0.757 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -75.3 | -26.9 | 172.1 | -78 | -177.9 | 163.5 | 0 | 0 | 112.7 | N126 Q127 M128 | N126-E130 PolarHBondContact O-N 2.94Å; Q127-E130 PolarHBondContact O-N 3.48Å; M128-E130 VanDerWaalsContact C-N 3.34Å; M128-E130 PolarHBondContact O-N 3.11Å |
| 131 | V | 45.7 | Very low | 39 | Very low | 126 Ų | 126 | 133.4 Ų | 133.4 | 76% | 0.764 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -88 | -17.2 | 179.1 | -177.4 | 0 | 0 | 0 | 0 | 112.2 | Q127 M128 | Q127-V131 WeakPolarHBondContact O-CG2 3.38Å; Q127-V131 PolarHBondContact O-N 3.48Å; M128-V131 PolarHBondContact O-N 3.02Å |
| 132 | L | 35.4 | Very low | 38.9 | Very low | 132 Ų | 132 | 135 Ų | 135 | 69% | 0.691 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -103.3 | 6.5 | -175.3 | -78.4 | 163.8 | 0 | 0 | 0 | 114.8 | M128 P134 | M128-L132 HydrophobicContact CB-CD1 4.46Å; M128-L132 WeakPolarHBondContact O-CB 3.22Å; M128-L132 WeakPolarHBondContact O-CD1 3.34Å; M128-L132 WeakPolarHBondContact O-CG 3.46Å; M128-L132 PolarHBondContact O-N 3.07Å; M128-L132 VanDerWaalsContact O-N 3.09Å; L132-P134 WeakPolarHBondContact O-CD 3.24Å |
| 133 | Q | 32.9 | Very low | 38.5 | Very low | 147 Ų | 147 | 140.4 Ų | 140.4 | 69% | 0.687 | 68% | 0.682 | S | S | * | * | trans | -77.4 | 114.7 | 170.6 | -65.3 | -165.2 | 16.1 | 0 | 0 | 109.7 | Y129 E135 | Y129-Q133 WeakPolarHBondContact O-CG 3.21Å; Q133-E135 PolarHBondContact O-N 2.86Å | ||
| 134 | P | 35.5 | Very low | 38.1 | Very low | 98 Ų | 98 | 144.5 Ų | 144.5 | 64% | 0.636 | 70% | 0.703 | S | S | * | * | trans | -65.4 | 134 | 173.1 | 27.4 | -30.9 | 0 | 0 | 0 | 108.7 | L132 Y136 | L132-P134 WeakPolarHBondContact O-CD 3.24Å; P134-Y136 HydrophobicContact CB-CD2 4.38Å; P134-Y136 HydrophobicContact CG-CD2 4.42Å; P134-Y136 PolarHBondContact O-N 3.44Å | ||
| 135 | E | 30.9 | Very low | 37.8 | Very low | 193 Ų | 193 | 144.3 Ų | 144.3 | 90% | 0.902 | 71% | 0.712 | S | S | * | * | trans | -45.4 | 100.6 | 170.1 | -67.6 | 174.1 | 157.1 | 0 | 0 | 110.5 | Q133 | Q133-E135 PolarHBondContact O-N 2.86Š| ||
| 136 | Y | 28.1 | Very low | 37.3 | Very low | 215 Ų | 215 | 148.9 Ų | 148.9 | 84% | 0.843 | 73% | 0.733 | S | S | * | * | trans | -133.4 | 71.5 | 162.1 | -85.9 | -84.8 | 0 | 0 | 0 | 107.7 | P134 | P134-Y136 HydrophobicContact CB-CD2 4.38Å; P134-Y136 HydrophobicContact CG-CD2 4.42Å; P134-Y136 PolarHBondContact O-N 3.44Å | ||
| 137 | V | 31.3 | Very low | 36.5 | Very low | 141 Ų | 141 | 154 Ų | 154 | 86% | 0.855 | 76% | 0.755 | S | S | * | * | trans | -126.8 | 102 | 158.2 | -173.4 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 138 | M | 30.2 | Very low | 35.5 | Very low | 261 Ų | 261 | 157.6 Ų | 157.6 | 100% | 1.286 | 78% | 0.775 | S | S | * | * | trans | -82.3 | 0 | 152.2 | -89.7 | -157.5 | -85.5 | 0 | 0 | 108.5 |
Retrieved 138 of 138 residues in 21.2 ms
(Link to these results)