| 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 | 60.6 | Low | 81.3 | Confident | 223 Ų | 223 | 109.2 Ų | 109.2 | 100% | 1.099 | 61% | 0.605 | S | S | * | * | 0 | 73.3 | 0 | -73.8 | 162.8 | 71.4 | 0 | 0 | 110.5 | |||||
| 2 | N | 70.1 | Confident | 81.6 | Confident | 113 Ų | 113 | 109.3 Ų | 109.3 | 60% | 0.604 | 60% | 0.603 | S | S | * | * | trans | -151.8 | -7.8 | 170.5 | -75.2 | -50.6 | 0 | 0 | 0 | 112.8 | S4 Y5 L6 | N2-S4 VanDerWaalsContact C-N 3.28Å; N2-S4 PolarHBondContact O-N 2.89Å; N2-Y5 PolarHBondContact O-N 3.39Å; N2-L6 WeakPolarHBondContact O-CG 3.27Å; N2-L6 PolarHBondContact O-N 2.95Å; N2-L6 VanDerWaalsContact O-N 3.07Å | ||
| 3 | L | 80.3 | Confident | 81.6 | Confident | 139 Ų | 139 | 107.2 Ų | 107.2 | 73% | 0.728 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -63.4 | -36.6 | -179.5 | -142 | 85 | 0 | 0 | 0 | 111.7 | Y5 L6 V7 | L3-Y5 VanDerWaalsContact C-N 3.34Å; L3-Y5 PolarHBondContact O-N 3.48Å; L3-L6 PolarHBondContact O-N 3.33Å; L3-V7 WeakPolarHBondContact O-CB 3.5Å; L3-V7 VanDerWaalsContact O-CG2 3.27Å; L3-V7 WeakPolarHBondContact O-CG2 3.29Å; L3-V7 PolarHBondContact O-N 3.47Å |
| 4 | S | 82.5 | Confident | 81.5 | Confident | 83 Ų | 83 | 104.4 Ų | 104.4 | 58% | 0.58 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -61.6 | -40.4 | 174.9 | 51.3 | 0 | 0 | 0 | 0 | 112.3 | N2 A8 | N2-S4 VanDerWaalsContact C-N 3.28Å; N2-S4 PolarHBondContact O-N 2.89Å; S4-A8 VanDerWaalsContact O-CB 3.25Å; S4-A8 WeakPolarHBondContact O-CB 3.45Å; S4-A8 PolarHBondContact O-N 3.38Å |
| 5 | Y | 83.9 | Confident | 81.1 | Confident | 173 Ų | 173 | 104.1 Ų | 104.1 | 68% | 0.678 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -70.1 | -38.1 | 177 | -74.6 | -75.8 | 0 | 0 | 0 | 112.3 | N2 L3 A8 C9 | N2-Y5 PolarHBondContact O-N 3.39Å; L3-Y5 VanDerWaalsContact C-N 3.34Å; L3-Y5 PolarHBondContact O-N 3.48Å; Y5-A8 PolarHBondContact O-N 2.94Å; Y5-C9 WeakPolarHBondContact O-CB 3.43Å; Y5-C9 PolarHBondContact O-N 3.43Å |
| 6 | L | 83.4 | Confident | 80.4 | Confident | 123 Ų | 123 | 104.8 Ų | 104.8 | 64% | 0.644 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -65.3 | -42.5 | 175.2 | -69.1 | 172.1 | 0 | 0 | 0 | 111.6 | N2 L3 C9 G10 | N2-L6 WeakPolarHBondContact O-CG 3.27Å; N2-L6 PolarHBondContact O-N 2.95Å; N2-L6 VanDerWaalsContact O-N 3.07Å; L3-L6 PolarHBondContact O-N 3.33Å; L6-C9 PolarHBondContact O-N 3.07Å; L6-G10 PolarHBondContact O-N 2.92Å |
| 7 | V | 88.3 | Confident | 79.6 | Confident | 84 Ų | 84 | 103 Ų | 103 | 51% | 0.509 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -66.9 | -44.2 | 176.2 | 173.1 | 0 | 0 | 0 | 0 | 110.9 | L3 C9 G10 L11 | L3-V7 WeakPolarHBondContact O-CB 3.5Å; L3-V7 VanDerWaalsContact O-CG2 3.27Å; L3-V7 WeakPolarHBondContact O-CG2 3.29Å; L3-V7 PolarHBondContact O-N 3.47Å; V7-C9 PolarHBondContact O-N 3.23Å; V7-G10 PolarHBondContact O-N 3.36Å; V7-L11 HydrophobicContact CG1-CD1 3.95Å; V7-L11 HydrophobicContact CG1-CG 4.44Å; V7-L11 WeakPolarHBondContact O-CB 3.25Å; V7-L11 VanDerWaalsContact O-CG 3.29Å; V7-L11 WeakPolarHBondContact O-CG 3.15Å; V7-L11 PolarHBondContact O-N 2.85Å |
| 8 | A | 87.2 | Confident | 78.5 | Confident | 47 Ų | 47 | 105.9 Ų | 105.9 | 39% | 0.388 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -63.1 | -41.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | S4 Y5 L11 L12 | S4-A8 VanDerWaalsContact O-CB 3.25Å; S4-A8 WeakPolarHBondContact O-CB 3.45Å; S4-A8 PolarHBondContact O-N 3.38Å; Y5-A8 PolarHBondContact O-N 2.94Å; A8-L11 PolarHBondContact O-N 3.46Å; A8-L12 WeakPolarHBondContact O-CB 3.29Å; A8-L12 VanDerWaalsContact O-CG 3.28Å; A8-L12 WeakPolarHBondContact O-CG 3.36Å; A8-L12 PolarHBondContact O-N 3.19Å |
| 9 | C | 84.9 | Confident | 77.3 | Confident | 76 Ų | 76 | 109.7 Ų | 109.7 | 51% | 0.514 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -64.2 | -45.4 | 176.2 | -170.2 | 0 | 0 | 0 | 0 | 111.2 | Y5 L6 V7 L11 L12 V13 | Y5-C9 WeakPolarHBondContact O-CB 3.43Å; Y5-C9 PolarHBondContact O-N 3.43Å; L6-C9 PolarHBondContact O-N 3.07Å; V7-C9 PolarHBondContact O-N 3.23Å; C9-L11 PolarHBondContact O-N 3.49Å; C9-L12 PolarHBondContact O-N 3.35Å; C9-V13 WeakPolarHBondContact O-CG2 3.49Å; C9-V13 PolarHBondContact O-N 3.34Å |
| 10 | G | 86 | Confident | 76.1 | Confident | 36 Ų | 36 | 112.2 Ų | 112.2 | 37% | 0.371 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -59.4 | -45.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L6 V7 L12 V13 S14 | L6-G10 PolarHBondContact O-N 2.92Å; V7-G10 PolarHBondContact O-N 3.36Å; G10-L12 PolarHBondContact O-N 3.07Å; G10-V13 PolarHBondContact O-N 3.18Å; G10-S14 PolarHBondContact O-N 3.47Å; G10-S14 PolarHBondContact O-OG 3.49Å |
| 11 | L | 86.9 | Confident | 74.8 | Confident | 104 Ų | 104 | 109.4 Ų | 109.4 | 55% | 0.545 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -64.5 | -39.9 | 177.8 | -72.2 | 171.4 | 0 | 0 | 0 | 112.5 | V7 A8 C9 V13 S14 L15 | V7-L11 HydrophobicContact CG1-CD1 3.95Å; V7-L11 HydrophobicContact CG1-CG 4.44Å; V7-L11 WeakPolarHBondContact O-CB 3.25Å; V7-L11 VanDerWaalsContact O-CG 3.29Å; V7-L11 WeakPolarHBondContact O-CG 3.15Å; V7-L11 PolarHBondContact O-N 2.85Å; A8-L11 PolarHBondContact O-N 3.46Å; C9-L11 PolarHBondContact O-N 3.49Å; L11-V13 VanDerWaalsContact C-N 3.34Å; L11-S14 PolarHBondContact O-N 2.9Å; L11-L15 WeakPolarHBondContact O-CB 3.44Å; L11-L15 VanDerWaalsContact O-CG 3.29Å; L11-L15 WeakPolarHBondContact O-CG 3.5Å; L11-L15 PolarHBondContact O-N 2.98Å |
| 12 | L | 84.7 | Confident | 74.4 | Confident | 110 Ų | 110 | 103.1 Ų | 103.1 | 58% | 0.576 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -62 | -42.8 | 174.8 | -76.1 | 167.9 | 0 | 0 | 0 | 111.5 | A8 C9 G10 L15 L16 | A8-L12 WeakPolarHBondContact O-CB 3.29Å; A8-L12 VanDerWaalsContact O-CG 3.28Å; A8-L12 WeakPolarHBondContact O-CG 3.36Å; A8-L12 PolarHBondContact O-N 3.19Å; C9-L12 PolarHBondContact O-N 3.35Å; G10-L12 PolarHBondContact O-N 3.07Å; L12-L15 PolarHBondContact O-N 3.46Å; L12-L16 WeakPolarHBondContact O-CB 3.28Å; L12-L16 WeakPolarHBondContact O-CG 3.46Å; L12-L16 PolarHBondContact O-N 3.22Å |
| 13 | V | 82.3 | Confident | 73.6 | Confident | 83 Ų | 83 | 108.7 Ų | 108.7 | 50% | 0.503 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -64 | -45.1 | 176.5 | 173.9 | 0 | 0 | 0 | 0 | 111 | C9 G10 L11 L15 L16 S17 | C9-V13 WeakPolarHBondContact O-CG2 3.49Å; C9-V13 PolarHBondContact O-N 3.34Å; G10-V13 PolarHBondContact O-N 3.18Å; L11-V13 VanDerWaalsContact C-N 3.34Å; V13-L15 PolarHBondContact O-N 3.46Å; V13-L16 PolarHBondContact O-N 2.95Å; V13-S17 PolarHBondContact O-N 3.27Å; V13-S17 PolarHBondContact O-OG 3.13Å; V13-S17 VanDerWaalsContact O-OG 3.13Å |
| 14 | S | 79.5 | Confident | 71.8 | Confident | 68 Ų | 68 | 107.9 Ų | 107.9 | 48% | 0.476 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -61.2 | -42.9 | 177.1 | -64.2 | 0 | 0 | 0 | 0 | 112.9 | G10 L11 L16 S17 E18 | G10-S14 PolarHBondContact O-N 3.47Å; G10-S14 PolarHBondContact O-OG 3.49Å; L11-S14 PolarHBondContact O-N 2.9Å; S14-L16 VanDerWaalsContact C-N 3.31Å; S14-L16 PolarHBondContact O-N 3.49Å; S14-S17 WeakPolarHBondContact O-CB 3.47Å; S14-S17 PolarHBondContact O-N 3.01Å; S14-E18 PolarHBondContact O-N 3.31Å |
| 15 | L | 76.3 | Confident | 70.4 | Confident | 99 Ų | 99 | 107.3 Ų | 107.3 | 52% | 0.518 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -65.5 | -33.3 | 176.2 | -73.5 | 167.1 | 0 | 0 | 0 | 112.5 | L11 L12 V13 K19 | L11-L15 WeakPolarHBondContact O-CB 3.44Å; L11-L15 VanDerWaalsContact O-CG 3.29Å; L11-L15 WeakPolarHBondContact O-CG 3.5Å; L11-L15 PolarHBondContact O-N 2.98Å; L12-L15 PolarHBondContact O-N 3.46Å; V13-L15 PolarHBondContact O-N 3.46Å; L15-K19 WeakPolarHBondContact O-CG 3.2Å; L15-K19 PolarHBondContact O-N 3.2Å |
| 16 | L | 70.3 | Confident | 69.3 | Low | 115 Ų | 115 | 103.4 Ų | 103.4 | 60% | 0.602 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -71.9 | -34.9 | 173.7 | -70.3 | 168.7 | 0 | 0 | 0 | 111.7 | L12 V13 S14 K19 M20 | L12-L16 WeakPolarHBondContact O-CB 3.28Å; L12-L16 WeakPolarHBondContact O-CG 3.46Å; L12-L16 PolarHBondContact O-N 3.22Å; V13-L16 PolarHBondContact O-N 2.95Å; S14-L16 VanDerWaalsContact C-N 3.31Å; S14-L16 PolarHBondContact O-N 3.49Å; L16-K19 PolarHBondContact O-N 2.92Å; L16-M20 PolarHBondContact O-N 3.01Å |
| 17 | S | 65.3 | Low | 68.2 | Low | 75 Ų | 75 | 104.5 Ų | 104.5 | 52% | 0.524 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -67 | -36.9 | 175.4 | -63.1 | 0 | 0 | 0 | 0 | 113 | V13 S14 M20 | V13-S17 PolarHBondContact O-N 3.27Å; V13-S17 PolarHBondContact O-OG 3.13Å; V13-S17 VanDerWaalsContact O-OG 3.13Å; S14-S17 WeakPolarHBondContact O-CB 3.47Å; S14-S17 PolarHBondContact O-N 3.01Å; S17-M20 CarbonylContact O-C 3.58Å; S17-M20 WeakPolarHBondContact O-CB 3.47Å; S17-M20 PolarHBondContact O-N 2.85Å |
| 18 | E | 59.7 | Low | 66.9 | Low | 156 Ų | 156 | 104.1 Ų | 104.1 | 73% | 0.729 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -71.3 | -32.2 | 174 | -71.8 | 179.6 | 170.4 | 0 | 0 | 112.5 | S14 M20 G21 | S14-E18 PolarHBondContact O-N 3.31Å; E18-M20 VanDerWaalsContact C-N 3.31Å; E18-G21 PolarHBondContact O-N 2.91Å |
| 19 | K | 57.2 | Low | 65.5 | Low | 178 Ų | 178 | 107.1 Ų | 107.1 | 77% | 0.774 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -75.9 | -19.3 | 172.6 | -73.5 | -170.4 | 176.7 | -176.5 | 0 | 113.4 | L15 L16 G21 | L15-K19 WeakPolarHBondContact O-CG 3.2Å; L15-K19 PolarHBondContact O-N 3.2Å; L16-K19 PolarHBondContact O-N 2.92Å; K19-G21 PolarHBondContact O-N 2.8Å |
| 20 | M | 52.1 | Low | 64.4 | Low | 158 Ų | 158 | 107 Ų | 107 | 78% | 0.778 | 59% | 0.594 | S | S | * | * | trans | -74.7 | 47.3 | 159.3 | -74.8 | -167.4 | 157.3 | 0 | 0 | 110.9 | L16 S17 E18 A22 | L16-M20 PolarHBondContact O-N 3.01Å; S17-M20 CarbonylContact O-C 3.58Å; S17-M20 WeakPolarHBondContact O-CB 3.47Å; S17-M20 PolarHBondContact O-N 2.85Å; E18-M20 VanDerWaalsContact C-N 3.31Å; M20-A22 PolarHBondContact O-N 3.33Å | ||
| 21 | G | 49.9 | Very low | 63.4 | Low | 55 Ų | 55 | 112 Ų | 112 | 57% | 0.567 | 61% | 0.605 | S | S | * | * | trans | -60.3 | 94.7 | 148 | 0 | 0 | 0 | 0 | 0 | 106.1 | E18 K19 R23 | E18-G21 PolarHBondContact O-N 2.91Å; K19-G21 PolarHBondContact O-N 2.8Å; G21-R23 VanDerWaalsContact C-N 3.33Å; G21-R23 PolarHBondContact O-N 2.97Å | ||
| 22 | A | 52.5 | Low | 62.4 | Low | 91 Ų | 91 | 110 Ų | 110 | 75% | 0.752 | 60% | 0.6 | S | S | * | * | trans | -51 | 104.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 106.5 | M20 P24 | M20-A22 PolarHBondContact O-N 3.33Å; A22-P24 WeakPolarHBondContact O-CD 3.36Å | ||
| 23 | R | 51.7 | Low | 61.3 | Low | 230 Ų | 230 | 108.8 Ų | 108.8 | 87% | 0.868 | 59% | 0.594 | S | S | * | * | trans | -53.6 | 119.4 | 164.2 | -70.2 | -173.1 | 178 | -159.8 | -0.6 | 103.8 | G21 L25 | G21-R23 VanDerWaalsContact C-N 3.33Å; G21-R23 PolarHBondContact O-N 2.97Å; R23-L25 PolarHBondContact O-N 2.79Å | ||
| 24 | P | 44 | Very low | 60.3 | Low | 122 Ų | 122 | 112.8 Ų | 112.8 | 79% | 0.792 | 60% | 0.6 | S | S | * | * | trans | -56.5 | 111.3 | -178.7 | 21.8 | -31.2 | 0 | 0 | 0 | 106 | A22 T26 | A22-P24 WeakPolarHBondContact O-CD 3.36Å; P24-T26 PolarHBondContact O-N 3.32Å | ||
| 25 | L | 51.7 | Low | 59.7 | Low | 70 Ų | 70 | 112.5 Ų | 112.5 | 37% | 0.366 | 60% | 0.598 | S | S | . | * | trans | -58 | 128.4 | 179.8 | -158.6 | 76.2 | 0 | 0 | 0 | 105.4 | R23 Q27 Q29 L33 | R23-L25 PolarHBondContact O-N 2.79Å; L25-Q27 PolarHBondContact O-N 3.21Å; L25-Q29 HydrophobicContact CD1-CB 4.4Å; L25-Q29 HydrophobicContact CD2-CB 3.71Å; L25-Q29 HydrophobicContact CG-CB 3.69Å; L25-L33 HydrophobicContact CD2-CD1 3.36Å; L25-L33 HydrophobicContact CD2-CG 4.29Å | ||
| 26 | T | 62.4 | Low | 59.3 | Low | 92 Ų | 92 | 112.7 Ų | 112.7 | 56% | 0.564 | 60% | 0.599 | S | S | * | * | trans | -51.6 | 138.8 | -177 | 51.7 | 0 | 0 | 0 | 0 | 108.9 | P24 A28 Q29 Q30 | P24-T26 PolarHBondContact O-N 3.32Å; T26-A28 CarbonylContact O-C 3.58Å; T26-A28 PolarHBondContact O-N 3.02Å; T26-Q29 PolarHBondContact O-N 2.89Å; T26-Q30 PolarHBondContact O-N 2.88Å; T26-Q30 VanDerWaalsContact O-N 3.1Å | ||
| 27 | Q | 59 | Low | 59 | Low | 146 Ų | 146 | 112.1 Ų | 112.1 | 68% | 0.682 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -51 | -28.5 | -170.5 | -170.9 | -178.4 | 5.4 | 0 | 0 | 113.3 | L25 K31 | L25-Q27 PolarHBondContact O-N 3.21Å; Q27-K31 WeakPolarHBondContact O-CG 3.42Å; Q27-K31 PolarHBondContact O-N 3.23Å |
| 28 | A | 61.1 | Low | 59 | Low | 75 Ų | 75 | 110.4 Ų | 110.4 | 62% | 0.62 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -66.9 | -46 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | T26 K31 S32 | T26-A28 CarbonylContact O-C 3.58Å; T26-A28 PolarHBondContact O-N 3.02Å; A28-K31 PolarHBondContact O-N 3.13Å; A28-S32 PolarHBondContact O-N 3.1Å; A28-S32 VanDerWaalsContact O-N 3.13Å |
| 29 | Q | 59 | Low | 59.2 | Low | 111 Ų | 111 | 109.9 Ų | 109.9 | 52% | 0.519 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -71.9 | -31.8 | 177.9 | -71.3 | -152.3 | -25.9 | 0 | 0 | 112.4 | L25 T26 K31 S32 L33 | L25-Q29 HydrophobicContact CD1-CB 4.4Å; L25-Q29 HydrophobicContact CD2-CB 3.71Å; L25-Q29 HydrophobicContact CG-CB 3.69Å; T26-Q29 PolarHBondContact O-N 2.89Å; Q29-K31 VanDerWaalsContact C-N 3.33Å; Q29-K31 PolarHBondContact O-N 3.37Å; Q29-S32 PolarHBondContact O-N 3.48Å; Q29-L33 WeakPolarHBondContact O-CB 3.22Å; Q29-L33 WeakPolarHBondContact O-CG 3.21Å; Q29-L33 PolarHBondContact O-N 2.8Å |
| 30 | Q | 61.1 | Low | 59.4 | Low | 74 Ų | 74 | 107.5 Ų | 107.5 | 35% | 0.346 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -65.8 | -35.8 | 173.6 | -168.7 | 178.2 | -66.2 | 0 | 0 | 112.3 | T26 R34 | T26-Q30 PolarHBondContact O-N 2.88Å; T26-Q30 VanDerWaalsContact O-N 3.1Å; Q30-R34 VanDerWaalsContact NE2-NH2 3.16Å; Q30-R34 VanDerWaalsContact O-CB 3.27Å; Q30-R34 WeakPolarHBondContact O-CB 3.27Å; Q30-R34 WeakPolarHBondContact O-CG 3.48Å; Q30-R34 PolarHBondContact O-N 3.38Å |
| 31 | K | 64.4 | Low | 59.8 | Low | 141 Ų | 141 | 104.8 Ų | 104.8 | 61% | 0.613 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -68.5 | -43.8 | 174.1 | -76.8 | 177.9 | -179.4 | -179.9 | 0 | 111.7 | Q27 A28 Q29 R34 S35 | Q27-K31 WeakPolarHBondContact O-CG 3.42Å; Q27-K31 PolarHBondContact O-N 3.23Å; A28-K31 PolarHBondContact O-N 3.13Å; Q29-K31 VanDerWaalsContact C-N 3.33Å; Q29-K31 PolarHBondContact O-N 3.37Å; K31-R34 PolarHBondContact O-N 2.96Å; K31-S35 PolarHBondContact O-N 3.38Å; K31-S35 PolarHBondContact O-OG 3.38Å |
| 32 | S | 67.1 | Low | 60.5 | Low | 60 Ų | 60 | 104.5 Ų | 104.5 | 42% | 0.42 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -64.3 | -42.3 | 177.6 | 174.3 | 0 | 0 | 0 | 0 | 112.5 | A28 Q29 S35 L36 | A28-S32 PolarHBondContact O-N 3.1Å; A28-S32 VanDerWaalsContact O-N 3.13Å; Q29-S32 PolarHBondContact O-N 3.48Å; S32-S35 PolarHBondContact O-N 2.82Å; S32-S35 PolarHBondContact O-OG 3.44Å; S32-L36 WeakPolarHBondContact O-CD1 3.43Å; S32-L36 PolarHBondContact O-N 3.49Å; S32-L36 VanDerWaalsContact O-N 3.07Å |
| 33 | L | 60.7 | Low | 61.1 | Low | 86 Ų | 86 | 107 Ų | 107 | 45% | 0.45 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -69.6 | -37.7 | 175.5 | -71 | -179.3 | 0 | 0 | 0 | 112.2 | L25 Q29 S35 L36 L37 | L25-L33 HydrophobicContact CD2-CD1 3.36Å; L25-L33 HydrophobicContact CD2-CG 4.29Å; Q29-L33 WeakPolarHBondContact O-CB 3.22Å; Q29-L33 WeakPolarHBondContact O-CG 3.21Å; Q29-L33 PolarHBondContact O-N 2.8Å; L33-S35 VanDerWaalsContact C-N 3.33Å; L33-S35 PolarHBondContact O-N 2.86Å; L33-L36 PolarHBondContact O-N 3.07Å; L33-L37 HydrophobicContact CB-CD1 4.21Å; L33-L37 WeakPolarHBondContact O-CB 3.32Å; L33-L37 WeakPolarHBondContact O-CD1 3.38Å; L33-L37 WeakPolarHBondContact O-CG 3.36Å; L33-L37 PolarHBondContact O-N 3.45Å |
| 34 | R | 61.7 | Low | 61.5 | Low | 167 Ų | 167 | 101.2 Ų | 101.2 | 63% | 0.63 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -66.1 | -33.7 | 175.6 | -79.5 | 178.5 | 177.6 | 164.7 | 0.3 | 113.1 | Q30 K31 G38 | Q30-R34 VanDerWaalsContact NE2-NH2 3.16Å; Q30-R34 VanDerWaalsContact O-CB 3.27Å; Q30-R34 WeakPolarHBondContact O-CB 3.27Å; Q30-R34 WeakPolarHBondContact O-CG 3.48Å; Q30-R34 PolarHBondContact O-N 3.38Å; K31-R34 PolarHBondContact O-N 2.96Å; R34-G38 WeakPolarHBondContact O-CA 3.36Å; R34-G38 PolarHBondContact O-N 3.21Å |
| 35 | S | 67.6 | Low | 62.5 | Low | 62 Ų | 62 | 100.7 Ų | 100.7 | 43% | 0.434 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -70.1 | -47.1 | 174.3 | 62.8 | 0 | 0 | 0 | 0 | 111 | K31 S32 L33 G38 E39 | K31-S35 PolarHBondContact O-N 3.38Å; K31-S35 PolarHBondContact O-OG 3.38Å; S32-S35 PolarHBondContact O-N 2.82Å; S32-S35 PolarHBondContact O-OG 3.44Å; L33-S35 VanDerWaalsContact C-N 3.33Å; L33-S35 PolarHBondContact O-N 2.86Å; S35-G38 PolarHBondContact O-N 3.4Å; S35-E39 PolarHBondContact O-N 2.96Å |
| 36 | L | 66.1 | Low | 63.2 | Low | 103 Ų | 103 | 104.2 Ų | 104.2 | 54% | 0.539 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.6 | -47.5 | 178.5 | -94 | 129.4 | 0 | 0 | 0 | 113 | S32 L33 G38 E40 | S32-L36 WeakPolarHBondContact O-CD1 3.43Å; S32-L36 PolarHBondContact O-N 3.49Å; S32-L36 VanDerWaalsContact O-N 3.07Å; L33-L36 PolarHBondContact O-N 3.07Å; L36-G38 VanDerWaalsContact C-N 3.34Å; L36-E40 PolarHBondContact O-N 3.01Å |
| 37 | L | 64.1 | Low | 63.4 | Low | 102 Ų | 102 | 103 Ų | 103 | 53% | 0.534 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -72.9 | -28 | 178.9 | -70.5 | 157 | 0 | 0 | 0 | 112.3 | L33 L41 | L33-L37 HydrophobicContact CB-CD1 4.21Å; L33-L37 WeakPolarHBondContact O-CB 3.32Å; L33-L37 WeakPolarHBondContact O-CD1 3.38Å; L33-L37 WeakPolarHBondContact O-CG 3.36Å; L33-L37 PolarHBondContact O-N 3.45Å; L37-L41 VanDerWaalsContact O-CB 3.3Å; L37-L41 WeakPolarHBondContact O-CB 3.3Å; L37-L41 WeakPolarHBondContact O-CD1 3.29Å; L37-L41 PolarHBondContact O-N 3.49Å |
| 38 | G | 66.8 | Low | 63.8 | Low | 39 Ų | 39 | 99 Ų | 99 | 40% | 0.402 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -70.7 | -38.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | R34 S35 L36 A42 | R34-G38 WeakPolarHBondContact O-CA 3.36Å; R34-G38 PolarHBondContact O-N 3.21Å; S35-G38 PolarHBondContact O-N 3.4Å; L36-G38 VanDerWaalsContact C-N 3.34Å; G38-A42 VanDerWaalsContact O-CB 3.29Å; G38-A42 WeakPolarHBondContact O-CB 3.22Å; G38-A42 PolarHBondContact O-N 3.39Å; G38-A42 VanDerWaalsContact O-N 3.09Å |
| 39 | E | 62.4 | Low | 64 | Low | 146 Ų | 146 | 102.2 Ų | 102.2 | 68% | 0.682 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -68.8 | -46.8 | 176.7 | -74.4 | 173.1 | -178.4 | 0 | 0 | 111.4 | S35 A42 E43 | S35-E39 PolarHBondContact O-N 2.96Å; E39-A42 PolarHBondContact O-N 2.69Å; E39-E43 PolarHBondContact O-N 2.95Å; E39-E43 VanDerWaalsContact O-N 3.12Å |
| 40 | E | 62.1 | Low | 64.5 | Low | 128 Ų | 128 | 105.7 Ų | 105.7 | 60% | 0.598 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -69.2 | -37.3 | 178.1 | -68 | -158.7 | 172.9 | 0 | 0 | 113 | L36 A42 E43 I44 | L36-E40 PolarHBondContact O-N 3.01Å; E40-A42 VanDerWaalsContact C-N 3.32Å; E40-A42 PolarHBondContact O-N 2.98Å; E40-E43 PolarHBondContact O-N 3.45Å; E40-I44 WeakPolarHBondContact O-CD1 3.27Å; E40-I44 WeakPolarHBondContact O-CG1 3.22Å; E40-I44 PolarHBondContact O-N 2.94Å |
| 41 | L | 60.9 | Low | 65.1 | Low | 100 Ų | 100 | 107.7 Ų | 107.7 | 52% | 0.524 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.7 | -37.4 | 173.9 | -105.8 | 78.7 | 0 | 0 | 0 | 112 | L37 I44 L45 | L37-L41 VanDerWaalsContact O-CB 3.3Å; L37-L41 WeakPolarHBondContact O-CB 3.3Å; L37-L41 WeakPolarHBondContact O-CD1 3.29Å; L37-L41 PolarHBondContact O-N 3.49Å; L41-I44 PolarHBondContact O-N 3.42Å; L41-L45 WeakPolarHBondContact O-CB 3.45Å; L41-L45 WeakPolarHBondContact O-CD1 3.41Å; L41-L45 VanDerWaalsContact O-CG 3.22Å; L41-L45 WeakPolarHBondContact O-CG 3.34Å; L41-L45 PolarHBondContact O-N 3.34Å |
| 42 | A | 64.8 | Low | 65.6 | Low | 50 Ų | 50 | 109 Ų | 109 | 41% | 0.413 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.5 | -43.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111 | G38 E39 E40 L45 E46 | G38-A42 VanDerWaalsContact O-CB 3.29Å; G38-A42 WeakPolarHBondContact O-CB 3.22Å; G38-A42 PolarHBondContact O-N 3.39Å; G38-A42 VanDerWaalsContact O-N 3.09Å; E39-A42 PolarHBondContact O-N 2.69Å; E40-A42 VanDerWaalsContact C-N 3.32Å; E40-A42 PolarHBondContact O-N 2.98Å; A42-L45 PolarHBondContact O-N 3.44Å; A42-E46 WeakPolarHBondContact O-CG 3.43Å; A42-E46 PolarHBondContact O-N 3.12Å |
| 43 | E | 64.3 | Low | 65.7 | Low | 142 Ų | 142 | 115.4 Ų | 115.4 | 66% | 0.664 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64 | -41 | 176.5 | -172.2 | 174.4 | -178.8 | 0 | 0 | 112.2 | E39 E40 S47 | E39-E43 PolarHBondContact O-N 2.95Å; E39-E43 VanDerWaalsContact O-N 3.12Å; E40-E43 PolarHBondContact O-N 3.45Å; E43-S47 VanDerWaalsContact O-CB 3.25Å; E43-S47 WeakPolarHBondContact O-CB 3.49Å; E43-S47 PolarHBondContact O-N 3.09Å |
| 44 | I | 59.8 | Low | 66.5 | Low | 110 Ų | 110 | 115.2 Ų | 115.2 | 56% | 0.564 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -66 | -40.7 | 176.6 | -66.6 | 164.8 | 0 | 0 | 0 | 111.3 | E40 L41 S47 D48 | E40-I44 WeakPolarHBondContact O-CD1 3.27Å; E40-I44 WeakPolarHBondContact O-CG1 3.22Å; E40-I44 PolarHBondContact O-N 2.94Å; L41-I44 PolarHBondContact O-N 3.42Å; I44-S47 PolarHBondContact O-N 2.91Å; I44-D48 WeakPolarHBondContact O-CB 3.49Å; I44-D48 PolarHBondContact O-N 2.93Å |
| 45 | L | 65.2 | Low | 67.4 | Low | 111 Ų | 111 | 110.6 Ų | 110.6 | 58% | 0.581 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -67.4 | -42.8 | 177.6 | -75.5 | 167.6 | 0 | 0 | 0 | 112 | L41 A42 S47 D48 E49 | L41-L45 WeakPolarHBondContact O-CB 3.45Å; L41-L45 WeakPolarHBondContact O-CD1 3.41Å; L41-L45 VanDerWaalsContact O-CG 3.22Å; L41-L45 WeakPolarHBondContact O-CG 3.34Å; L41-L45 PolarHBondContact O-N 3.34Å; A42-L45 PolarHBondContact O-N 3.44Å; L45-S47 VanDerWaalsContact C-N 3.32Å; L45-D48 PolarHBondContact O-N 3.02Å; L45-E49 WeakPolarHBondContact O-CB 3.4Å; L45-E49 PolarHBondContact O-N 3.44Å |
| 46 | E | 65.8 | Low | 68 | Low | 144 Ų | 144 | 110.3 Ų | 110.3 | 67% | 0.673 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64.6 | -37.6 | 174.5 | -76.8 | -168 | 160.5 | 0 | 0 | 112 | A42 R50 | A42-E46 WeakPolarHBondContact O-CG 3.43Å; A42-E46 PolarHBondContact O-N 3.12Å; E46-R50 VanDerWaalsContact O-CB 3.22Å; E46-R50 WeakPolarHBondContact O-CB 3.47Å; E46-R50 PolarHBondContact O-N 2.99Å |
| 47 | S | 67.3 | Low | 68.7 | Low | 67 Ų | 67 | 109.3 Ų | 109.3 | 47% | 0.469 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.1 | -47.6 | 175.2 | -174.6 | 0 | 0 | 0 | 0 | 112 | E43 I44 L45 R50 E51 | E43-S47 VanDerWaalsContact O-CB 3.25Å; E43-S47 WeakPolarHBondContact O-CB 3.49Å; E43-S47 PolarHBondContact O-N 3.09Å; I44-S47 PolarHBondContact O-N 2.91Å; L45-S47 VanDerWaalsContact C-N 3.32Å; S47-R50 PolarHBondContact O-N 3.45Å; S47-E51 WeakPolarHBondContact O-CB 3.25Å; S47-E51 PolarHBondContact O-N 3.24Å |
| 48 | D | 68.4 | Low | 69.6 | Low | 62 Ų | 62 | 110.2 Ų | 110.2 | 33% | 0.332 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.4 | -42.7 | 177 | -178.2 | 48.5 | 0 | 0 | 0 | 111.7 | I44 L45 R50 E51 R52 | I44-D48 WeakPolarHBondContact O-CB 3.49Å; I44-D48 PolarHBondContact O-N 2.93Å; L45-D48 PolarHBondContact O-N 3.02Å; D48-R50 VanDerWaalsContact C-N 3.34Å; D48-R50 PolarHBondContact O-N 3.47Å; D48-E51 PolarHBondContact O-N 3.3Å; D48-R52 VanDerWaalsContact O-CG 3.27Å; D48-R52 WeakPolarHBondContact O-CG 3.45Å; D48-R52 PolarHBondContact O-N 3.07Å; D48-R52 IonicContact OD1-NE 2.8Å; D48-R52 PolarHBondContact OD1-NE 3.31Å; D48-R52 IonicContact OD1-NH2 3.75Å; D48-R52 IonicContact OD2-CZ 3.87Å; D48-R52 IonicContact OD2-NE 3.17Å; D48-R52 PolarHBondContact OD2-NE 2.9Å; D48-R52 IonicContact OD2-NH2 3.39Å; D48-R52 PolarHBondContact OD2-NH2 3.45Å |
| 49 | E | 64.5 | Low | 70.4 | Confident | 142 Ų | 142 | 111.2 Ų | 111.2 | 66% | 0.664 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -63.3 | -40.7 | 175.8 | -173.2 | 170.2 | 179.9 | 0 | 0 | 111.9 | L45 R53 | L45-E49 WeakPolarHBondContact O-CB 3.4Å; L45-E49 PolarHBondContact O-N 3.44Å; E49-R53 WeakPolarHBondContact O-CB 3.47Å; E49-R53 PolarHBondContact O-N 3.28Å |
| 50 | R | 68.9 | Low | 71.3 | Confident | 183 Ų | 183 | 113 Ų | 113 | 69% | 0.691 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -64.4 | -41.7 | 175.7 | -174.9 | 179.7 | -178.6 | -154.6 | 1.2 | 111.8 | E46 S47 D48 R53 I54 | E46-R50 VanDerWaalsContact O-CB 3.22Å; E46-R50 WeakPolarHBondContact O-CB 3.47Å; E46-R50 PolarHBondContact O-N 2.99Å; S47-R50 PolarHBondContact O-N 3.45Å; D48-R50 VanDerWaalsContact C-N 3.34Å; D48-R50 PolarHBondContact O-N 3.47Å; R50-R53 WeakPolarHBondContact O-CB 3.22Å; R50-R53 PolarHBondContact O-N 2.95Å; R50-I54 HydrophobicContact CG-CD1 4.2Å; R50-I54 VanDerWaalsContact O-CG1 3.31Å; R50-I54 WeakPolarHBondContact O-CG1 3.41Å; R50-I54 PolarHBondContact O-N 2.8Å |
| 51 | E | 74.4 | Confident | 72.2 | Confident | 117 Ų | 117 | 112 Ų | 112 | 55% | 0.547 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.1 | -46.5 | 178.1 | -176.3 | 148 | -160.4 | 0 | 0 | 111.6 | S47 D48 R53 I54 D55 | S47-E51 WeakPolarHBondContact O-CB 3.25Å; S47-E51 PolarHBondContact O-N 3.24Å; D48-E51 PolarHBondContact O-N 3.3Å; E51-R53 PolarHBondContact O-N 2.92Å; E51-I54 PolarHBondContact O-N 3.04Å; E51-D55 PolarHBondContact O-N 2.96Å |
| 52 | R | 75.3 | Confident | 73.2 | Confident | 167 Ų | 167 | 114.7 Ų | 114.7 | 63% | 0.63 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -56.5 | -38.8 | 173.1 | -69.9 | 175.5 | -167.6 | -151.4 | 9.3 | 112.2 | D48 D55 A56 | D48-R52 VanDerWaalsContact O-CG 3.27Å; D48-R52 WeakPolarHBondContact O-CG 3.45Å; D48-R52 PolarHBondContact O-N 3.07Å; D48-R52 IonicContact OD1-NE 2.8Å; D48-R52 PolarHBondContact OD1-NE 3.31Å; D48-R52 IonicContact OD1-NH2 3.75Å; D48-R52 IonicContact OD2-CZ 3.87Å; D48-R52 IonicContact OD2-NE 3.17Å; D48-R52 PolarHBondContact OD2-NE 2.9Å; D48-R52 IonicContact OD2-NH2 3.39Å; D48-R52 PolarHBondContact OD2-NH2 3.45Å; R52-D55 PolarHBondContact O-N 2.96Å; R52-A56 WeakPolarHBondContact O-CB 3.34Å; R52-A56 PolarHBondContact O-N 3.31Å |
| 53 | R | 69.4 | Low | 74 | Confident | 195 Ų | 195 | 117.5 Ų | 117.5 | 74% | 0.736 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -66.4 | -40.8 | 177.2 | -155.2 | -178 | -156.3 | -172.6 | 8.3 | 112 | E49 R50 E51 A56 V57 | E49-R53 WeakPolarHBondContact O-CB 3.47Å; E49-R53 PolarHBondContact O-N 3.28Å; R50-R53 WeakPolarHBondContact O-CB 3.22Å; R50-R53 PolarHBondContact O-N 2.95Å; E51-R53 PolarHBondContact O-N 2.92Å; R53-A56 PolarHBondContact O-N 3.09Å; R53-V57 WeakPolarHBondContact O-CG2 3.37Å; R53-V57 PolarHBondContact O-N 3.36Å; R53-V57 VanDerWaalsContact O-N 3.09Å |
| 54 | I | 75.9 | Confident | 74.6 | Confident | 83 Ų | 83 | 115.9 Ų | 115.9 | 43% | 0.426 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.1 | -41.7 | 176.9 | -68.5 | 164.2 | 0 | 0 | 0 | 110.5 | R50 E51 V57 R58 | R50-I54 HydrophobicContact CG-CD1 4.2Å; R50-I54 VanDerWaalsContact O-CG1 3.31Å; R50-I54 WeakPolarHBondContact O-CG1 3.41Å; R50-I54 PolarHBondContact O-N 2.8Å; E51-I54 PolarHBondContact O-N 3.04Å; I54-V57 PolarHBondContact O-N 2.91Å; I54-R58 WeakPolarHBondContact O-CB 3.31Å; I54-R58 PolarHBondContact O-N 3.13Å |
| 55 | D | 81.3 | Confident | 75.5 | Confident | 70 Ų | 70 | 118.8 Ų | 118.8 | 37% | 0.374 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -68.8 | -35 | 177.7 | -81.2 | -24.5 | 0 | 0 | 0 | 113.2 | E51 R52 V57 R58 S59 | E51-D55 PolarHBondContact O-N 2.96Å; R52-D55 PolarHBondContact O-N 2.96Å; D55-V57 VanDerWaalsContact C-N 3.35Å; D55-R58 PolarHBondContact O-N 3.21Å; D55-R58 IonicContact OD1-CZ 2.69Å; D55-R58 IonicContact OD1-NH1 2.98Å; D55-R58 PolarHBondContact OD1-NH1 3.46Å; D55-S59 WeakPolarHBondContact O-CB 3.43Å; D55-S59 PolarHBondContact O-N 3.01Å; D55-S59 PolarHBondContact O-OG 3.26Å; D55-S59 VanDerWaalsContact O-OG 3.13Å |
| 56 | A | 80.8 | Confident | 76 | Confident | 56 Ų | 56 | 118.1 Ų | 118.1 | 46% | 0.463 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.7 | -40.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | R52 R53 S59 R60 | R52-A56 WeakPolarHBondContact O-CB 3.34Å; R52-A56 PolarHBondContact O-N 3.31Å; R53-A56 PolarHBondContact O-N 3.09Å; A56-S59 PolarHBondContact O-OG 3.09Å; A56-R60 WeakPolarHBondContact O-CB 3.37Å; A56-R60 PolarHBondContact O-N 3.44Å; A56-R60 VanDerWaalsContact O-N 3.09Å |
| 57 | V | 80.4 | Confident | 76.2 | Confident | 81 Ų | 81 | 116.3 Ų | 116.3 | 49% | 0.491 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -68.8 | -41.1 | 175.3 | 172.8 | 0 | 0 | 0 | 0 | 111.1 | R53 I54 D55 R60 M61 | R53-V57 WeakPolarHBondContact O-CG2 3.37Å; R53-V57 PolarHBondContact O-N 3.36Å; R53-V57 VanDerWaalsContact O-N 3.09Å; I54-V57 PolarHBondContact O-N 2.91Å; D55-V57 VanDerWaalsContact C-N 3.35Å; V57-R60 PolarHBondContact O-N 3.04Å; V57-M61 HydrophobicContact CG1-CE 4.07Å; V57-M61 PolarHBondContact O-N 3.03Å |
| 58 | R | 82.8 | Confident | 76.4 | Confident | 122 Ų | 122 | 120.2 Ų | 120.2 | 46% | 0.46 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.6 | -43.5 | 178.5 | -174.9 | -176.9 | -73 | 154.1 | -11.1 | 112 | I54 D55 M61 R62 | I54-R58 WeakPolarHBondContact O-CB 3.31Å; I54-R58 PolarHBondContact O-N 3.13Å; D55-R58 PolarHBondContact O-N 3.21Å; D55-R58 IonicContact OD1-CZ 2.69Å; D55-R58 IonicContact OD1-NH1 2.98Å; D55-R58 PolarHBondContact OD1-NH1 3.46Å; R58-M61 PolarHBondContact O-N 3.29Å; R58-R62 WeakPolarHBondContact O-CG 3.47Å; R58-R62 PolarHBondContact O-N 3.37Å |
| 59 | S | 83.5 | Confident | 76.5 | Confident | 59 Ų | 59 | 122 Ų | 122 | 41% | 0.413 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64 | -41.9 | 175.4 | 63.5 | 0 | 0 | 0 | 0 | 111.3 | D55 A56 M61 R62 L63 | D55-S59 WeakPolarHBondContact O-CB 3.43Å; D55-S59 PolarHBondContact O-N 3.01Å; D55-S59 PolarHBondContact O-OG 3.26Å; D55-S59 VanDerWaalsContact O-OG 3.13Å; A56-S59 PolarHBondContact O-OG 3.09Å; S59-M61 PolarHBondContact O-N 2.86Å; S59-R62 PolarHBondContact O-N 3.35Å; S59-L63 PolarHBondContact O-N 2.87Å |
| 60 | R | 81.6 | Confident | 76.6 | Confident | 184 Ų | 184 | 120 Ų | 120 | 69% | 0.694 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63.1 | -39 | 174.5 | -166.9 | 173.6 | -177.4 | 175 | 0.8 | 112.7 | A56 V57 L63 L64 | A56-R60 WeakPolarHBondContact O-CB 3.37Å; A56-R60 PolarHBondContact O-N 3.44Å; A56-R60 VanDerWaalsContact O-N 3.09Å; V57-R60 PolarHBondContact O-N 3.04Å; R60-L63 PolarHBondContact O-N 2.97Å; R60-L64 HydrophobicContact CG-CD1 4.27Å; R60-L64 WeakPolarHBondContact O-CB 3.46Å; R60-L64 WeakPolarHBondContact O-CG 3.43Å; R60-L64 PolarHBondContact O-N 3.46Å |
| 61 | M | 80.8 | Confident | 76.6 | Confident | 106 Ų | 106 | 115.6 Ų | 115.6 | 52% | 0.522 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.3 | -39.3 | 173.4 | -82.3 | -168.9 | -166.1 | 0 | 0 | 112.7 | V57 R58 S59 L64 R65 | V57-M61 HydrophobicContact CG1-CE 4.07Å; V57-M61 PolarHBondContact O-N 3.03Å; R58-M61 PolarHBondContact O-N 3.29Å; S59-M61 PolarHBondContact O-N 2.86Å; M61-L64 PolarHBondContact O-N 3.07Å; M61-R65 WeakPolarHBondContact O-CG 3.44Å; M61-R65 PolarHBondContact O-N 3.05Å; M61-R65 VanDerWaalsContact O-N 3.08Å |
| 62 | R | 82.9 | Confident | 76.4 | Confident | 158 Ų | 158 | 117.7 Ų | 117.7 | 60% | 0.596 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -62.2 | -48.3 | 175.4 | -71.8 | 175.2 | -179.9 | 162.8 | -0.3 | 110.7 | R58 S59 L64 R65 D66 | R58-R62 WeakPolarHBondContact O-CG 3.47Å; R58-R62 PolarHBondContact O-N 3.37Å; S59-R62 PolarHBondContact O-N 3.35Å; R62-L64 VanDerWaalsContact C-N 3.35Å; R62-L64 PolarHBondContact O-N 3.08Å; R62-R65 WeakPolarHBondContact O-CB 3.46Å; R62-R65 PolarHBondContact O-N 3.44Å; R62-R65 VanDerWaalsContact O-N 3.07Å; R62-D66 PolarHBondContact O-N 3.03Å |
| 63 | L | 80.1 | Confident | 76.2 | Confident | 109 Ų | 109 | 111.4 Ų | 111.4 | 57% | 0.571 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -58.4 | -42.7 | 175.6 | -73.7 | 169.5 | 0 | 0 | 0 | 113.1 | S59 R60 R65 D66 L67 | S59-L63 PolarHBondContact O-N 2.87Å; R60-L63 PolarHBondContact O-N 2.97Å; L63-R65 VanDerWaalsContact C-N 3.3Å; L63-R65 PolarHBondContact O-N 3.41Å; L63-D66 PolarHBondContact O-N 3.34Å; L63-L67 WeakPolarHBondContact O-CG 3.46Å; L63-L67 PolarHBondContact O-N 2.88Å |
| 64 | L | 78.6 | Confident | 76.2 | Confident | 107 Ų | 107 | 111.5 Ų | 111.5 | 56% | 0.56 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.3 | -34.2 | 176.2 | -83.2 | 158.7 | 0 | 0 | 0 | 112.6 | R60 M61 R62 R68 | R60-L64 HydrophobicContact CG-CD1 4.27Å; R60-L64 WeakPolarHBondContact O-CB 3.46Å; R60-L64 WeakPolarHBondContact O-CG 3.43Å; R60-L64 PolarHBondContact O-N 3.46Å; M61-L64 PolarHBondContact O-N 3.07Å; R62-L64 VanDerWaalsContact C-N 3.35Å; R62-L64 PolarHBondContact O-N 3.08Å; L64-R68 WeakPolarHBondContact O-CB 3.45Å; L64-R68 PolarHBondContact O-N 2.88Å; L64-R68 VanDerWaalsContact O-N 3.11Å |
| 65 | R | 76.9 | Confident | 76.2 | Confident | 171 Ų | 171 | 109.1 Ų | 109.1 | 65% | 0.645 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -69.2 | -42.2 | 174.5 | -74.1 | -177.5 | -165.2 | 176 | 4.2 | 111.6 | M61 R62 L63 R68 M69 | M61-R65 WeakPolarHBondContact O-CG 3.44Å; M61-R65 PolarHBondContact O-N 3.05Å; M61-R65 VanDerWaalsContact O-N 3.08Å; R62-R65 WeakPolarHBondContact O-CB 3.46Å; R62-R65 PolarHBondContact O-N 3.44Å; R62-R65 VanDerWaalsContact O-N 3.07Å; L63-R65 VanDerWaalsContact C-N 3.3Å; L63-R65 PolarHBondContact O-N 3.41Å; R65-R68 WeakPolarHBondContact O-CB 3.42Å; R65-R68 PolarHBondContact O-N 3.22Å; R65-R68 VanDerWaalsContact O-N 3.15Å; R65-M69 WeakPolarHBondContact O-CG 3.41Å; R65-M69 PolarHBondContact O-N 3.03Å |
| 66 | D | 76 | Confident | 75.8 | Confident | 98 Ų | 98 | 112 Ų | 112 | 52% | 0.524 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.5 | -45.7 | 179.2 | -68.3 | -13.8 | 0 | 0 | 0 | 111 | R62 L63 R68 M69 D70 | R62-D66 PolarHBondContact O-N 3.03Å; L63-D66 PolarHBondContact O-N 3.34Å; D66-R68 VanDerWaalsContact C-N 3.27Å; D66-R68 PolarHBondContact O-N 3.4Å; D66-M69 PolarHBondContact O-N 3.46Å; D66-D70 PolarHBondContact O-N 2.99Å |
| 67 | L | 71.3 | Confident | 75.4 | Confident | 105 Ų | 105 | 116.5 Ų | 116.5 | 55% | 0.55 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -59.3 | -36.5 | 173 | -72.1 | 167.5 | 0 | 0 | 0 | 112.7 | L63 M69 T71 | L63-L67 WeakPolarHBondContact O-CG 3.46Å; L63-L67 PolarHBondContact O-N 2.88Å; L67-M69 VanDerWaalsContact C-N 3.35Å; L67-T71 WeakPolarHBondContact O-CG2 3.46Å; L67-T71 PolarHBondContact O-N 3.28Å; L67-T71 PolarHBondContact O-OG1 3.15Å |
| 68 | R | 70.3 | Confident | 74.9 | Confident | 149 Ų | 149 | 115.4 Ų | 115.4 | 56% | 0.562 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -67.8 | -33.6 | 174.6 | -174.9 | -179.4 | 175.6 | 121.3 | -3.8 | 112.2 | L64 R65 D66 T71 R72 | L64-R68 WeakPolarHBondContact O-CB 3.45Å; L64-R68 PolarHBondContact O-N 2.88Å; L64-R68 VanDerWaalsContact O-N 3.11Å; R65-R68 WeakPolarHBondContact O-CB 3.42Å; R65-R68 PolarHBondContact O-N 3.22Å; R65-R68 VanDerWaalsContact O-N 3.15Å; D66-R68 VanDerWaalsContact C-N 3.27Å; D66-R68 PolarHBondContact O-N 3.4Å; R68-T71 WeakPolarHBondContact CA-OG1 3.35Å; R68-T71 PolarHBondContact O-OG1 3.11Å; R68-R72 PolarHBondContact O-N 3.46Å |
| 69 | M | 70.5 | Confident | 74.4 | Confident | 99 Ų | 99 | 118.6 Ų | 118.6 | 49% | 0.488 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -72.3 | -43.3 | 175.4 | -67.6 | -54.7 | 111.4 | 0 | 0 | 111 | R65 D66 L67 T71 R72 A73 | R65-M69 WeakPolarHBondContact O-CG 3.41Å; R65-M69 PolarHBondContact O-N 3.03Å; D66-M69 PolarHBondContact O-N 3.46Å; L67-M69 VanDerWaalsContact C-N 3.35Å; M69-T71 VanDerWaalsContact C-N 3.34Å; M69-T71 PolarHBondContact O-N 2.89Å; M69-R72 PolarHBondContact O-N 2.92Å; M69-A73 WeakPolarHBondContact O-CB 3.39Å; M69-A73 PolarHBondContact O-N 2.88Å |
| 70 | D | 67.1 | Low | 73.8 | Confident | 100 Ų | 100 | 120.9 Ų | 120.9 | 54% | 0.535 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -61.1 | -40.2 | 176.9 | -80.9 | -19.4 | 0 | 0 | 0 | 112.8 | D66 A73 R74 | D66-D70 PolarHBondContact O-N 2.99Å; D70-A73 PolarHBondContact O-N 3.01Å; D70-R74 WeakPolarHBondContact O-CB 3.4Å; D70-R74 WeakPolarHBondContact O-CG 3.41Å; D70-R74 PolarHBondContact O-N 2.95Å |
| 71 | T | 69.8 | Low | 73.2 | Confident | 92 Ų | 92 | 118.2 Ų | 118.2 | 56% | 0.564 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -67.7 | -38.1 | 176.3 | 46.4 | 0 | 0 | 0 | 0 | 112.5 | L67 R68 M69 G75 | L67-T71 WeakPolarHBondContact O-CG2 3.46Å; L67-T71 PolarHBondContact O-N 3.28Å; L67-T71 PolarHBondContact O-OG1 3.15Å; R68-T71 WeakPolarHBondContact CA-OG1 3.35Å; R68-T71 PolarHBondContact O-OG1 3.11Å; M69-T71 VanDerWaalsContact C-N 3.34Å; M69-T71 PolarHBondContact O-N 2.89Å; T71-G75 PolarHBondContact O-N 2.88Å |
| 72 | R | 69.6 | Low | 72.6 | Confident | 160 Ų | 160 | 119.8 Ų | 119.8 | 60% | 0.604 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -65.6 | -45 | 172.8 | -80.6 | -175.2 | 171.6 | -163.3 | -4.1 | 112.1 | R68 M69 G75 M76 | R68-R72 PolarHBondContact O-N 3.46Å; M69-R72 PolarHBondContact O-N 2.92Å; R72-G75 PolarHBondContact O-N 3.28Å; R72-M76 PolarHBondContact O-N 2.9Å; R72-M76 VanDerWaalsContact O-N 3.1Å |
| 73 | A | 71.1 | Confident | 71.5 | Confident | 36 Ų | 36 | 118.3 Ų | 118.3 | 30% | 0.298 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -60.4 | -48 | 177 | 0 | 0 | 0 | 0 | 0 | 110.6 | M69 D70 G75 M76 W77 | M69-A73 WeakPolarHBondContact O-CB 3.39Å; M69-A73 PolarHBondContact O-N 2.88Å; D70-A73 PolarHBondContact O-N 3.01Å; A73-G75 VanDerWaalsContact C-N 3.32Å; A73-G75 PolarHBondContact O-N 3.4Å; A73-M76 PolarHBondContact O-N 3.4Å; A73-M76 VanDerWaalsContact O-N 3.13Å; A73-W77 PolarHBondContact O-N 3.45Å |
| 74 | R | 69.4 | Low | 70.4 | Confident | 196 Ų | 196 | 119.9 Ų | 119.9 | 74% | 0.74 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -57.9 | -40.5 | 175 | -80.4 | -176.4 | -169.4 | -124.9 | 2.1 | 113.1 | D70 M76 W77 A78 | D70-R74 WeakPolarHBondContact O-CB 3.4Å; D70-R74 WeakPolarHBondContact O-CG 3.41Å; D70-R74 PolarHBondContact O-N 2.95Å; R74-M76 VanDerWaalsContact C-N 3.32Å; R74-M76 PolarHBondContact O-N 2.96Å; R74-W77 PolarHBondContact O-N 3.13Å; R74-A78 WeakPolarHBondContact O-CB 3.34Å; R74-A78 PolarHBondContact O-N 3.02Å |
| 75 | G | 74.7 | Confident | 69.3 | Low | 33 Ų | 33 | 119.8 Ų | 119.8 | 34% | 0.34 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -63.5 | -35.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | T71 R72 A73 R79 | T71-G75 PolarHBondContact O-N 2.88Å; R72-G75 PolarHBondContact O-N 3.28Å; A73-G75 VanDerWaalsContact C-N 3.32Å; A73-G75 PolarHBondContact O-N 3.4Å; G75-R79 WeakPolarHBondContact O-CG 3.46Å; G75-R79 PolarHBondContact O-N 3.5Å |
| 76 | M | 74.7 | Confident | 68.4 | Low | 131 Ų | 131 | 115.8 Ų | 115.8 | 65% | 0.645 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -71.8 | -43.4 | 175.5 | -172 | 168.7 | 67.7 | 0 | 0 | 111.9 | R72 A73 R74 A78 R79 L80 | R72-M76 PolarHBondContact O-N 2.9Å; R72-M76 VanDerWaalsContact O-N 3.1Å; A73-M76 PolarHBondContact O-N 3.4Å; A73-M76 VanDerWaalsContact O-N 3.13Å; R74-M76 VanDerWaalsContact C-N 3.32Å; R74-M76 PolarHBondContact O-N 2.96Å; M76-A78 VanDerWaalsContact C-N 3.33Å; M76-A78 PolarHBondContact O-N 3.27Å; M76-R79 PolarHBondContact O-N 2.88Å; M76-L80 PolarHBondContact O-N 2.89Å |
| 77 | W | 71.3 | Confident | 67.4 | Low | 150 Ų | 150 | 115.5 Ų | 115.5 | 57% | 0.568 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -61.8 | -39.9 | 174 | -73.3 | 113.8 | 0 | 0 | 0 | 112.4 | A73 R74 R79 L80 L81 | A73-W77 PolarHBondContact O-N 3.45Å; R74-W77 PolarHBondContact O-N 3.13Å; W77-R79 VanDerWaalsContact C-N 3.3Å; W77-R79 PolarHBondContact O-N 3.1Å; W77-L80 HydrophobicContact CE3-CD2 3.92Å; W77-L80 HydrophobicContact CZ3-CD2 3.8Å; W77-L80 PolarHBondContact O-N 3.36Å; W77-L81 WeakPolarHBondContact O-CB 3.33Å; W77-L81 WeakPolarHBondContact O-CD1 3.42Å; W77-L81 PolarHBondContact O-N 3.27Å |
| 78 | A | 70.8 | Confident | 66.7 | Low | 59 Ų | 59 | 121.6 Ų | 121.6 | 49% | 0.488 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -61.7 | -37.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | R74 M76 N82 | R74-A78 WeakPolarHBondContact O-CB 3.34Å; R74-A78 PolarHBondContact O-N 3.02Å; M76-A78 VanDerWaalsContact C-N 3.33Å; M76-A78 PolarHBondContact O-N 3.27Å; A78-N82 WeakPolarHBondContact O-CB 3.41Å; A78-N82 PolarHBondContact O-N 3.1Å |
| 79 | R | 70.9 | Confident | 65.9 | Low | 189 Ų | 189 | 126 Ų | 126 | 71% | 0.713 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -69.4 | -45.8 | 174.5 | -68.4 | 173.5 | -174.3 | 178.3 | 0.1 | 111.4 | G75 M76 W77 L81 N82 D83 | G75-R79 WeakPolarHBondContact O-CG 3.46Å; G75-R79 PolarHBondContact O-N 3.5Å; M76-R79 PolarHBondContact O-N 2.88Å; W77-R79 VanDerWaalsContact C-N 3.3Å; W77-R79 PolarHBondContact O-N 3.1Å; R79-L81 VanDerWaalsContact C-N 3.33Å; R79-L81 PolarHBondContact O-N 2.87Å; R79-N82 CarbonylContact O-C 3.58Å; R79-N82 PolarHBondContact O-N 3.18Å; R79-N82 VanDerWaalsContact O-N 3.1Å; R79-D83 WeakPolarHBondContact O-CB 3.33Å; R79-D83 PolarHBondContact O-N 3.38Å |
| 80 | L | 70.9 | Confident | 65.2 | Low | 106 Ų | 106 | 130 Ų | 130 | 56% | 0.555 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -61.7 | -38.3 | 178.6 | -174.6 | 65.9 | 0 | 0 | 0 | 112.9 | M76 W77 N82 D83 | M76-L80 PolarHBondContact O-N 2.89Å; W77-L80 HydrophobicContact CE3-CD2 3.92Å; W77-L80 HydrophobicContact CZ3-CD2 3.8Å; W77-L80 PolarHBondContact O-N 3.36Å; L80-N82 VanDerWaalsContact C-N 3.35Å; L80-D83 PolarHBondContact O-N 3.5Å |
| 81 | L | 70.4 | Confident | 64.3 | Low | 128 Ų | 128 | 134.8 Ų | 134.8 | 67% | 0.67 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -69 | -33 | 174.8 | -82.4 | 152.1 | 0 | 0 | 0 | 112.4 | W77 R79 | W77-L81 WeakPolarHBondContact O-CB 3.33Å; W77-L81 WeakPolarHBondContact O-CD1 3.42Å; W77-L81 PolarHBondContact O-N 3.27Å; R79-L81 VanDerWaalsContact C-N 3.33Å; R79-L81 PolarHBondContact O-N 2.87Å |
| 82 | N | 66.8 | Low | 63.5 | Low | 140 Ų | 140 | 135.7 Ų | 135.7 | 75% | 0.749 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -81.7 | -21 | 178.4 | -155.4 | 50.1 | 0 | 0 | 0 | 112.8 | A78 R79 L80 Q84 | A78-N82 WeakPolarHBondContact O-CB 3.41Å; A78-N82 PolarHBondContact O-N 3.1Å; R79-N82 CarbonylContact O-C 3.58Å; R79-N82 PolarHBondContact O-N 3.18Å; R79-N82 VanDerWaalsContact O-N 3.1Å; L80-N82 VanDerWaalsContact C-N 3.35Å; N82-Q84 VanDerWaalsContact C-N 3.27Å; N82-Q84 PolarHBondContact O-N 3.05Å |
| 83 | D | 61.1 | Low | 62.6 | Low | 126 Ų | 126 | 131.7 Ų | 131.7 | 67% | 0.674 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | 4.6 | 173.1 | -79.9 | -23.2 | 0 | 0 | 0 | 113.4 | R79 L80 P85 | R79-D83 WeakPolarHBondContact O-CB 3.33Å; R79-D83 PolarHBondContact O-N 3.38Å; L80-D83 PolarHBondContact O-N 3.5Å; D83-P85 VanDerWaalsContact O-CD 3.26Å; D83-P85 WeakPolarHBondContact O-CD 3.26Å; D83-P85 VanDerWaalsContact O-N 3.11Å |
| 84 | Q | 56.9 | Low | 61.2 | Low | 142 Ų | 142 | 137.2 Ų | 137.2 | 66% | 0.664 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -59.6 | 116.1 | 165.8 | -95 | -73.4 | 4.9 | 0 | 0 | 108.7 | N82 A86 | N82-Q84 VanDerWaalsContact C-N 3.27Å; N82-Q84 PolarHBondContact O-N 3.05Å; Q84-A86 PolarHBondContact O-N 3.26Å |
| 85 | P | 54.5 | Low | 60.4 | Low | 105 Ų | 105 | 138.1 Ų | 138.1 | 68% | 0.682 | 72% | 0.716 | S | S | * | * | trans | -64.3 | 110.1 | -179.3 | 26 | -32.7 | 0 | 0 | 0 | 107.3 | D83 A87 | D83-P85 VanDerWaalsContact O-CD 3.26Å; D83-P85 WeakPolarHBondContact O-CD 3.26Å; D83-P85 VanDerWaalsContact O-N 3.11Å; P85-A87 PolarHBondContact O-N 3.32Å | ||
| 86 | A | 57.9 | Low | 59.3 | Low | 88 Ų | 88 | 145.6 Ų | 145.6 | 73% | 0.727 | 74% | 0.739 | S | S | * | * | trans | -44.8 | 112.6 | 169 | 0 | 0 | 0 | 0 | 0 | 107.2 | Q84 R88 | Q84-A86 PolarHBondContact O-N 3.26Å; A86-R88 PolarHBondContact O-N 3.1Å | ||
| 87 | A | 55.1 | Low | 57.6 | Low | 91 Ų | 91 | 144.1 Ų | 144.1 | 75% | 0.752 | 75% | 0.748 | S | S | * | * | trans | -49.4 | 108.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 107.2 | P85 R89 | P85-A87 PolarHBondContact O-N 3.32Å; A87-R89 VanDerWaalsContact C-N 3.31Å; A87-R89 PolarHBondContact O-N 2.88Å | ||
| 88 | R | 56.8 | Low | 56.5 | Low | 233 Ų | 233 | 140.8 Ų | 140.8 | 88% | 0.879 | 76% | 0.76 | S | S | * | * | trans | -58.1 | 101.1 | -179 | -65.9 | -174.7 | -152.9 | 177.9 | 6.1 | 106 | A86 H90 | A86-R88 PolarHBondContact O-N 3.1Å; R88-H90 VanDerWaalsContact C-N 3.31Å; R88-H90 PolarHBondContact O-N 2.76Å | ||
| 89 | R | 53.6 | Low | 55.1 | Low | 242 Ų | 242 | 143.4 Ų | 143.4 | 91% | 0.913 | 78% | 0.775 | S | S | * | * | trans | -62.5 | 102.6 | 167.8 | -74 | -167.7 | 177.7 | -163 | 0.7 | 105.6 | A87 K91 | A87-R89 VanDerWaalsContact C-N 3.31Å; A87-R89 PolarHBondContact O-N 2.88Å; R89-K91 PolarHBondContact O-N 2.81Å | ||
| 90 | H | 55 | Low | 53.9 | Low | 183 Ų | 183 | 140 Ų | 140 | 85% | 0.847 | 78% | 0.775 | S | S | * | * | trans | -58.4 | 92.2 | 164.5 | -100.5 | -84.3 | 0 | 0 | 0 | 107.3 | R88 S92 | R88-H90 VanDerWaalsContact C-N 3.31Å; R88-H90 PolarHBondContact O-N 2.76Å; H90-S92 VanDerWaalsContact C-N 3.32Å; H90-S92 PolarHBondContact O-N 2.81Å; H90-S92 VanDerWaalsContact O-N 3.1Å | ||
| 91 | K | 49.3 | Very low | 53.1 | Low | 201 Ų | 201 | 140.3 Ų | 140.3 | 87% | 0.874 | 79% | 0.786 | S | S | * | * | trans | -77.1 | 94.3 | 165.5 | -168 | 130.2 | -176.2 | 177.7 | 0 | 106.4 | R89 | R89-K91 PolarHBondContact O-N 2.81Š| ||
| 92 | S | 52.9 | Low | 52.2 | Low | 111 Ų | 111 | 145.9 Ų | 145.9 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | trans | -55.2 | 144.9 | 167.1 | 47.8 | 0 | 0 | 0 | 0 | 110 | H90 | H90-S92 VanDerWaalsContact C-N 3.32Å; H90-S92 PolarHBondContact O-N 2.81Å; H90-S92 VanDerWaalsContact O-N 3.1Å | ||
| 93 | G | 50.1 | Low | 51.7 | Low | 76 Ų | 76 | 145.2 Ų | 145.2 | 78% | 0.784 | 81% | 0.805 | S | S | * | * | trans | -70.9 | 163.9 | -152.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 94 | N | 42.5 | Very low | 51.4 | Low | 151 Ų | 151 | 142.1 Ų | 142.1 | 81% | 0.807 | 80% | 0.803 | S | S | * | * | trans | -141.1 | 94.1 | 152.1 | -164.8 | 34.5 | 0 | 0 | 0 | 108 | K96 | N94-K96 PolarHBondContact O-N 3.17Å; N94-K96 VanDerWaalsContact O-N 3.17Å | ||
| 95 | K | 52.8 | Low | 51.4 | Low | 215 Ų | 215 | 138.6 Ų | 138.6 | 94% | 0.935 | 79% | 0.793 | S | S | * | * | trans | -73.9 | 97.1 | 170 | -76.7 | -177.6 | 179.2 | 178.9 | 0 | 107.9 | ||||
| 96 | K | 51.8 | Low | 51.6 | Low | 190 Ų | 190 | 141.8 Ų | 141.8 | 83% | 0.826 | 80% | 0.797 | S | S | * | * | trans | -154.7 | 93.2 | 162 | -143.4 | 174.1 | -174.7 | 178.9 | 0 | 111.4 | N94 | N94-K96 PolarHBondContact O-N 3.17Å; N94-K96 VanDerWaalsContact O-N 3.17Å | ||
| 97 | A | 39.2 | Very low | 51.5 | Low | 100 Ų | 100 | 141.2 Ų | 141.2 | 83% | 0.826 | 80% | 0.799 | S | S | * | * | trans | 159.9 | 110.5 | 156.2 | 0 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 98 | G | 46.3 | Very low | 51.7 | Low | 80 Ų | 80 | 144.9 Ų | 144.9 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | cis | 75.8 | 66.4 | 38.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 99 | S | 41.3 | Very low | 51.7 | Low | 114 Ų | 114 | 143.7 Ų | 143.7 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | trans | -178.2 | 130.4 | 140.8 | -169.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 100 | T | 46.9 | Very low | 52 | Low | 117 Ų | 117 | 138.2 Ų | 138.2 | 72% | 0.718 | 79% | 0.788 | S | S | * | * | trans | -49.6 | 140.1 | 170.4 | 45 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 101 | S | 53.6 | Low | 52.1 | Low | 113 Ų | 113 | 137.1 Ų | 137.1 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | trans | 39.1 | 96.5 | 145.1 | 58.1 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 102 | R | 51.1 | Low | 52.8 | Low | 246 Ų | 246 | 138.6 Ų | 138.6 | 93% | 0.928 | 79% | 0.788 | S | S | * | * | trans | -138.8 | 106.9 | 148.1 | -112.9 | 176.5 | 156.9 | -178 | -7.1 | 109.6 | ||||
| 103 | S | 57.3 | Low | 52.9 | Low | 125 Ų | 125 | 141.8 Ų | 141.8 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | trans | -27.2 | 122.4 | 172.2 | 54.7 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 104 | G | 54.1 | Low | 53 | Low | 62 Ų | 62 | 141.5 Ų | 141.5 | 64% | 0.639 | 79% | 0.792 | S | S | * | * | trans | -177.9 | 83.6 | 166.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | F106 | G104-F106 PolarHBondContact O-N 2.93Š| ||
| 105 | C | 58.4 | Low | 53.6 | Low | 68 Ų | 68 | 141.5 Ų | 141.5 | 46% | 0.459 | 80% | 0.797 | S | S | . | * | S | Bend | trans | -68.1 | 24.6 | 164.4 | -171.9 | 0 | 0 | 0 | 0 | 112.4 | C121 | C105-C121 HydrophobicContact CB-CB 4.42Å; C105-C121 PolarHBondContact SG-N 2.99Å |
| 106 | F | 56.7 | Low | 53.8 | Low | 171 Ų | 171 | 138.9 Ų | 138.9 | 75% | 0.75 | 79% | 0.792 | S | S | * | * | trans | -149.4 | 64.9 | -177.8 | -82.6 | -80.4 | 0 | 0 | 0 | 109.3 | G104 M110 | G104-F106 PolarHBondContact O-N 2.93Å; F106-M110 HydrophobicContact CE1-CG 4.26Å | ||
| 107 | G | 57.3 | Low | 53.9 | Low | 76 Ų | 76 | 134 Ų | 134 | 78% | 0.784 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -104.7 | -3.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 108 | H | 58.9 | Low | 54.9 | Low | 168 Ų | 168 | 133.4 Ų | 133.4 | 78% | 0.778 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -132.9 | 133.9 | 179 | -135.2 | 54.7 | 0 | 0 | 0 | 108.7 | M110 | H108-M110 PolarHBondContact O-N 3.18Š|
| 109 | K | 57.3 | Low | 55.2 | Low | 209 Ų | 209 | 137.5 Ų | 137.5 | 91% | 0.909 | 79% | 0.785 | S | S | * | * | trans | -54.6 | 108.5 | 175.1 | -89.3 | -174.4 | 178.8 | -176.1 | 0 | 108.3 | D111 | K109-D111 PolarHBondContact O-N 3.37Š| ||
| 110 | M | 58.9 | Low | 55.7 | Low | 127 Ų | 127 | 135 Ų | 135 | 63% | 0.626 | 78% | 0.778 | S | S | * | * | trans | -68.4 | 120.3 | 166.6 | -79.7 | -78 | -68.3 | 0 | 0 | 107.9 | F106 H108 R112 | F106-M110 HydrophobicContact CE1-CG 4.26Å; H108-M110 PolarHBondContact O-N 3.18Å; M110-R112 PolarHBondContact O-N 2.9Å | ||
| 111 | D | 58.2 | Low | 55.7 | Low | 159 Ų | 159 | 137.9 Ų | 137.9 | 85% | 0.85 | 80% | 0.8 | S | S | * | * | trans | -62.7 | 114.9 | 164.4 | -100.1 | -25.5 | 0 | 0 | 0 | 107.6 | K109 I113 | K109-D111 PolarHBondContact O-N 3.37Å; D111-I113 PolarHBondContact O-N 3.09Å; D111-I113 VanDerWaalsContact O-N 3.09Å | ||
| 112 | R | 62.8 | Low | 55.8 | Low | 232 Ų | 232 | 139.1 Ų | 139.1 | 88% | 0.875 | 80% | 0.801 | S | S | * | * | trans | -69.5 | 106.6 | 169.3 | -74.7 | -177 | 173.2 | -172.5 | -2.2 | 106.6 | M110 | M110-R112 PolarHBondContact O-N 2.9Š| ||
| 113 | I | 54.6 | Low | 56.1 | Low | 179 Ų | 179 | 133.5 Ų | 133.5 | 92% | 0.918 | 79% | 0.794 | S | S | * | * | trans | -174.9 | 122.9 | 136.7 | -85.2 | 141.5 | 0 | 0 | 0 | 108.5 | D111 | D111-I113 PolarHBondContact O-N 3.09Å; D111-I113 VanDerWaalsContact O-N 3.09Å | ||
| 114 | G | 52.3 | Low | 56 | Low | 69 Ų | 69 | 133.9 Ų | 133.9 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | trans | 116.6 | 120.1 | 164.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | I116 | G114-I116 PolarHBondContact O-N 2.86Š| ||
| 115 | T | 55.8 | Low | 56.1 | Low | 151 Ų | 151 | 138.2 Ų | 138.2 | 93% | 0.926 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -69.7 | 36.4 | 179.2 | 48.6 | 0 | 0 | 0 | 0 | 114.6 | ||
| 116 | I | 57.4 | Low | 56 | Low | 160 Ų | 160 | 142.6 Ų | 142.6 | 82% | 0.821 | 82% | 0.82 | S | S | * | * | trans | -140.9 | 74.4 | 179.2 | -60.7 | 177.4 | 0 | 0 | 0 | 110.1 | G114 | G114-I116 PolarHBondContact O-N 2.86Š| ||
| 117 | S | 53.9 | Low | 55.9 | Low | 89 Ų | 89 | 140.7 Ų | 140.7 | 62% | 0.622 | 82% | 0.824 | S | S | * | * | trans | -147.9 | 75.9 | 151.9 | -157.7 | 0 | 0 | 0 | 0 | 108.8 | M119 | S117-M119 PolarHBondContact O-N 3.45Š| ||
| 118 | G | 59.2 | Low | 55.8 | Low | 87 Ų | 87 | 145.3 Ų | 145.3 | 90% | 0.897 | 83% | 0.827 | S | S | * | * | trans | -73.5 | 67.1 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 119 | M | 53.2 | Low | 55.6 | Low | 166 Ų | 166 | 143.5 Ų | 143.5 | 82% | 0.818 | 83% | 0.831 | S | S | * | * | trans | -136.8 | 110.4 | 164.8 | -85.2 | 174.7 | 58.9 | 0 | 0 | 107.7 | S117 | S117-M119 PolarHBondContact O-N 3.45Š| ||
| 120 | G | 52 | Low | 55.5 | Low | 62 Ų | 62 | 138.1 Ų | 138.1 | 64% | 0.639 | 82% | 0.824 | S | S | * | * | trans | -70.9 | -166.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 121 | C | 47.2 | Very low | 55.1 | Low | 176 Ų | 176 | 139.1 Ų | 139.1 | 100% | 1.189 | 84% | 0.842 | S | S | * | * | trans | -35 | 0 | 179 | -35.3 | 0 | 0 | 0 | 0 | 115.2 | C105 | C105-C121 HydrophobicContact CB-CB 4.42Å; C105-C121 PolarHBondContact SG-N 2.99Å |
Retrieved 121 of 121 residues in 128.7 ms
(Link to these results)