| 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 | 41.3 | Very low | 41.6 | Very low | 248 Ų | 248 | 144.5 Ų | 144.5 | 100% | 1.222 | 82% | 0.82 | S | S | * | * | 0 | 101.8 | 0 | -71.3 | 176.1 | 170.5 | 0 | 0 | 106.1 | |||||
| 2 | A | 43 | Very low | 41.4 | Very low | 98 Ų | 98 | 136.5 Ų | 136.5 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | trans | -84.6 | 125.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | V4 | A2-V4 PolarHBondContact O-N 3.42Š| ||
| 3 | D | 39.9 | Very low | 41.5 | Very low | 161 Ų | 161 | 140.3 Ų | 140.3 | 86% | 0.861 | 80% | 0.799 | S | S | * | * | trans | -58.5 | 115.3 | 175.1 | -117.3 | -50.9 | 0 | 0 | 0 | 109.9 | V5 | D3-V5 PolarHBondContact O-N 3.2Å; D3-V5 VanDerWaalsContact O-N 3.15Å | ||
| 4 | V | 44.7 | Very low | 42.4 | Very low | 121 Ų | 121 | 142.6 Ų | 142.6 | 73% | 0.733 | 80% | 0.8 | S | S | * | * | trans | -76.6 | 99.3 | 171.1 | 173.8 | 0 | 0 | 0 | 0 | 106.7 | A2 V6 | A2-V4 PolarHBondContact O-N 3.42Å; V4-V6 VanDerWaalsContact C-N 3.31Å; V4-V6 HydrophobicContact CG1-CG2 4.43Å; V4-V6 PolarHBondContact O-N 2.91Å | ||
| 5 | V | 45.7 | Very low | 43.8 | Very low | 131 Ų | 131 | 147.1 Ų | 147.1 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | trans | -63.4 | 96.3 | 166.7 | 177.7 | 0 | 0 | 0 | 0 | 107.4 | D3 G7 | D3-V5 PolarHBondContact O-N 3.2Å; D3-V5 VanDerWaalsContact O-N 3.15Å; V5-G7 PolarHBondContact O-N 2.85Å | ||
| 6 | V | 45.7 | Very low | 45.7 | Very low | 120 Ų | 120 | 147.5 Ų | 147.5 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | trans | -63 | 100.2 | 166.6 | 167.9 | 0 | 0 | 0 | 0 | 107 | V4 K8 | V4-V6 VanDerWaalsContact C-N 3.31Å; V4-V6 HydrophobicContact CG1-CG2 4.43Å; V4-V6 PolarHBondContact O-N 2.91Å; V6-K8 PolarHBondContact O-N 3.28Å | ||
| 7 | G | 38.8 | Very low | 47.9 | Very low | 55 Ų | 55 | 140.5 Ų | 140.5 | 57% | 0.567 | 76% | 0.761 | S | S | * | * | trans | -56.3 | 107.2 | 162.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | V5 D9 | V5-G7 PolarHBondContact O-N 2.85Å; G7-D9 PolarHBondContact O-N 2.96Å | ||
| 8 | K | 39.8 | Very low | 50.3 | Low | 186 Ų | 186 | 138.3 Ų | 138.3 | 81% | 0.809 | 76% | 0.758 | S | S | * | * | trans | -64 | 90.4 | 161.2 | -90.3 | -177.3 | 156.1 | 81.4 | 0 | 106.4 | V6 K10 | V6-K8 PolarHBondContact O-N 3.28Å; K8-K10 PolarHBondContact O-N 3.04Å | ||
| 9 | D | 42.3 | Very low | 52.5 | Low | 157 Ų | 157 | 134.2 Ų | 134.2 | 84% | 0.84 | 74% | 0.735 | S | S | * | * | trans | -60.7 | 98.5 | 156.3 | -72.9 | -36.4 | 0 | 0 | 0 | 105.6 | G7 C11 | G7-D9 PolarHBondContact O-N 2.96Å; D9-C11 VanDerWaalsContact C-N 3.28Å; D9-C11 PolarHBondContact O-N 3.31Å | ||
| 10 | K | 40.6 | Very low | 54.6 | Low | 189 Ų | 189 | 131.5 Ų | 131.5 | 82% | 0.822 | 72% | 0.724 | S | S | * | * | trans | -58 | 106.5 | 164.2 | -69.2 | -159.9 | 174 | -172.2 | 0 | 104.4 | K8 G12 | K8-K10 PolarHBondContact O-N 3.04Å; K10-G12 PolarHBondContact O-N 3.01Å | ||
| 11 | C | 36.2 | Very low | 56.5 | Low | 123 Ų | 123 | 127.7 Ų | 127.7 | 83% | 0.831 | 70% | 0.703 | S | S | * | * | trans | -55.3 | 84.4 | 157.8 | -173.4 | 0 | 0 | 0 | 0 | 105 | D9 E13 | D9-C11 VanDerWaalsContact C-N 3.28Å; D9-C11 PolarHBondContact O-N 3.31Å; C11-E13 PolarHBondContact O-N 3.17Å | ||
| 12 | G | 38.9 | Very low | 59.1 | Low | 49 Ų | 49 | 120.1 Ų | 120.1 | 51% | 0.505 | 67% | 0.674 | S | S | . | * | trans | -56.4 | 127.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 104.2 | K10 Q14 | K10-G12 PolarHBondContact O-N 3.01Å; G12-Q14 VanDerWaalsContact C-N 3.31Å; G12-Q14 PolarHBondContact O-N 2.97Å | ||
| 13 | E | 42 | Very low | 61.7 | Low | 186 Ų | 186 | 122.9 Ų | 122.9 | 87% | 0.869 | 66% | 0.663 | S | S | * | * | trans | -39.3 | 107.5 | 169.2 | -79.6 | 167.5 | 143.8 | 0 | 0 | 106.6 | C11 R15 | C11-E13 PolarHBondContact O-N 3.17Å; E13-R15 PolarHBondContact O-N 3.2Å | ||
| 14 | Q | 54.5 | Low | 64.4 | Low | 173 Ų | 173 | 115.8 Ų | 115.8 | 81% | 0.808 | 63% | 0.625 | S | S | * | * | trans | -63.6 | 95.2 | 169.9 | -72.2 | -173.5 | -18.6 | 0 | 0 | 101.8 | G12 L16 | G12-Q14 VanDerWaalsContact C-N 3.31Å; G12-Q14 PolarHBondContact O-N 2.97Å; Q14-L16 PolarHBondContact O-N 3.31Å | ||
| 15 | R | 63.5 | Low | 66.9 | Low | 209 Ų | 209 | 113.9 Ų | 113.9 | 79% | 0.789 | 61% | 0.605 | S | S | * | * | trans | -48.5 | 114 | 171.4 | -86.4 | -172.8 | -87.2 | -158.9 | -6.2 | 103.7 | E13 I17 | E13-R15 PolarHBondContact O-N 3.2Å; R15-I17 WeakPolarHBondContact CB-O 3.44Å; R15-I17 PolarHBondContact O-N 2.6Å | ||
| 16 | L | 74 | Confident | 69.4 | Low | 154 Ų | 154 | 111.8 Ų | 111.8 | 81% | 0.806 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -51.2 | -27.7 | -172.3 | -70 | 169.5 | 0 | 0 | 0 | 110.4 | Q14 K47 | Q14-L16 PolarHBondContact O-N 3.31Å; L16-K47 WeakPolarHBondContact O-CD 3.32Å; L16-K47 PolarHBondContact O-NZ 2.85Å |
| 17 | I | 83.9 | Confident | 71.8 | Confident | 28 Ų | 28 | 110.8 Ų | 110.8 | 14% | 0.144 | 58% | 0.582 | C | S | . | * | trans | -132.8 | 128.8 | 173.8 | -61.4 | 168.1 | 0 | 0 | 0 | 109.3 | R15 L19 L21 V43 A46 | R15-I17 WeakPolarHBondContact CB-O 3.44Å; R15-I17 PolarHBondContact O-N 2.6Å; I17-L19 HydrophobicContact CG2-CB 4.34Å; I17-L19 VanDerWaalsContact CG2-O 3.29Å; I17-L19 WeakPolarHBondContact CG2-O 3.13Å; I17-L21 HydrophobicContact CD1-CD2 3.92Å; I17-L21 HydrophobicContact CG2-CD2 4.02Å; I17-V43 HydrophobicContact CD1-CB 3.86Å; I17-V43 HydrophobicContact CD1-CG1 3.5Å; I17-V43 HydrophobicContact CD1-CG2 4.02Å; I17-V43 WeakPolarHBondContact CD1-O 3.29Å; I17-A46 HydrophobicContact CB-CB 4.49Å; I17-A46 HydrophobicContact CD1-CB 3.76Å; I17-A46 HydrophobicContact CG1-CB 4.17Å; I17-A46 HydrophobicContact CG2-CB 3.54Å | ||
| 18 | S | 89.8 | Confident | 74.6 | Confident | 101 Ų | 101 | 110.1 Ų | 110.1 | 71% | 0.706 | 56% | 0.564 | S | S | * | * | trans | -87.2 | -32.3 | 173.6 | -171.5 | 0 | 0 | 0 | 0 | 112.3 | E50 | S18-E50 WeakPolarHBondContact CA-OE1 3.49Å; S18-E50 WeakPolarHBondContact CB-OE1 3.35Å; S18-E50 PolarHBondContact N-OE1 3.38Å | ||
| 19 | L | 92.4 | Very high | 77.3 | Confident | 61 Ų | 61 | 106.7 Ų | 106.7 | 32% | 0.319 | 55% | 0.549 | S | S | . | . | S | Bend | trans | -74 | 139.6 | -179.9 | -64.1 | 178 | 0 | 0 | 0 | 112.7 | I17 L21 I24 T49 E50 | I17-L19 HydrophobicContact CG2-CB 4.34Å; I17-L19 VanDerWaalsContact CG2-O 3.29Å; I17-L19 WeakPolarHBondContact CG2-O 3.13Å; L19-L21 PolarHBondContact O-N 3.09Å; L19-L21 VanDerWaalsContact O-N 3.16Å; L19-I24 HydrophobicContact CB-CD1 3.62Å; L19-I24 HydrophobicContact CB-CG1 4.46Å; L19-I24 HydrophobicContact CD1-CD1 4.34Å; L19-T49 HydrophobicContact CD1-CG2 3.7Å; L19-E50 HydrophobicContact CD1-CG 3.7Å; L19-E50 HydrophobicContact CG-CG 3.72Å; L19-E50 PolarHBondContact N-OE1 3.26Å; L19-E50 VanDerWaalsContact N-OE1 3.08Å |
| 20 | P | 95.1 | Very high | 79.9 | Confident | 79 Ų | 79 | 103.8 Ų | 103.8 | 51% | 0.513 | 54% | 0.541 | S | S | . | . | trans | -68.2 | 114.6 | 178.9 | 25.2 | -31.7 | 0 | 0 | 0 | 111.6 | S22 R23 I24 | P20-S22 PolarHBondContact O-N 3.25Å; P20-R23 HydrophobicContact CB-CB 4.44Å; P20-R23 HydrophobicContact CG-CB 3.96Å; P20-R23 WeakPolarHBondContact O-CB 3.42Å; P20-R23 PolarHBondContact O-N 2.97Å; P20-I24 PolarHBondContact O-N 3.29Å | ||
| 21 | L | 95 | Very high | 82.5 | Confident | 53 Ų | 53 | 97.2 Ų | 97.2 | 28% | 0.277 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -57.7 | -32.5 | -177.9 | -64.8 | -172.5 | 0 | 0 | 0 | 113.8 | I17 L19 R23 I24 R25 L42 V43 A46 | I17-L21 HydrophobicContact CD1-CD2 3.92Å; I17-L21 HydrophobicContact CG2-CD2 4.02Å; L19-L21 PolarHBondContact O-N 3.09Å; L19-L21 VanDerWaalsContact O-N 3.16Å; L21-R23 VanDerWaalsContact C-N 3.32Å; L21-R23 PolarHBondContact O-N 2.89Å; L21-I24 HydrophobicContact CD2-CD1 4.3Å; L21-I24 PolarHBondContact O-N 3.27Å; L21-R25 WeakPolarHBondContact O-CB 3.43Å; L21-R25 PolarHBondContact O-N 2.95Å; L21-L42 HydrophobicContact CB-CD2 4.15Å; L21-L42 HydrophobicContact CB-CG 4.48Å; L21-L42 HydrophobicContact CD2-CG 4.29Å; L21-V43 HydrophobicContact CD1-CG2 4.42Å; L21-A46 HydrophobicContact CD2-CB 3.71Å |
| 22 | S | 96 | Very high | 85.2 | Confident | 88 Ų | 88 | 97.3 Ų | 97.3 | 62% | 0.615 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.9 | -42 | 176.1 | 54.3 | 0 | 0 | 0 | 0 | 111.8 | P20 R25 V26 | P20-S22 PolarHBondContact O-N 3.25Å; S22-R25 PolarHBondContact O-N 3.44Å; S22-V26 WeakPolarHBondContact O-CG2 3.32Å; S22-V26 PolarHBondContact O-N 3.09Å; S22-V26 VanDerWaalsContact O-N 3.13Å |
| 23 | R | 97.2 | Very high | 87.8 | Confident | 156 Ų | 156 | 102.9 Ų | 102.9 | 59% | 0.589 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -69.7 | -42.2 | 179.3 | -170 | 57 | 161.8 | 145.8 | -3.5 | 111.5 | P20 L21 R25 V26 I27 | P20-R23 HydrophobicContact CB-CB 4.44Å; P20-R23 HydrophobicContact CG-CB 3.96Å; P20-R23 WeakPolarHBondContact O-CB 3.42Å; P20-R23 PolarHBondContact O-N 2.97Å; L21-R23 VanDerWaalsContact C-N 3.32Å; L21-R23 PolarHBondContact O-N 2.89Å; R23-R25 VanDerWaalsContact C-N 3.32Å; R23-R25 PolarHBondContact O-N 3.34Å; R23-V26 PolarHBondContact O-N 2.92Å; R23-I27 HydrophobicContact CG-CD1 4.19Å; R23-I27 WeakPolarHBondContact O-CG1 3.26Å; R23-I27 PolarHBondContact O-N 3.29Å |
| 24 | I | 97 | Very high | 90.3 | Very high | 13 Ų | 13 | 96.4 Ų | 96.4 | 7% | 0.067 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -61.2 | -44.6 | 176 | -64.1 | 160.6 | 0 | 0 | 0 | 110.1 | L19 P20 L21 V26 I27 M28 L42 T45 A46 | L19-I24 HydrophobicContact CB-CD1 3.62Å; L19-I24 HydrophobicContact CB-CG1 4.46Å; L19-I24 HydrophobicContact CD1-CD1 4.34Å; P20-I24 PolarHBondContact O-N 3.29Å; L21-I24 HydrophobicContact CD2-CD1 4.3Å; L21-I24 PolarHBondContact O-N 3.27Å; I24-V26 VanDerWaalsContact C-N 3.31Å; I24-V26 PolarHBondContact O-N 3Å; I24-I27 PolarHBondContact O-N 3.09Å; I24-I27 VanDerWaalsContact O-N 3.16Å; I24-M28 HydrophobicContact CG2-CG 4.22Å; I24-M28 HydrophobicContact CG2-SD 3.92Å; I24-M28 WeakPolarHBondContact O-CG 3.36Å; I24-M28 PolarHBondContact O-N 2.75Å; I24-L42 HydrophobicContact CB-CD1 3.99Å; I24-L42 HydrophobicContact CG2-CD1 3.65Å; I24-T45 HydrophobicContact CG2-CG2 4.12Å; I24-A46 HydrophobicContact CD1-CB 3.32Å |
| 25 | R | 96.6 | Very high | 92 | Very high | 81 Ų | 81 | 93.3 Ų | 93.3 | 31% | 0.306 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.9 | -41.5 | 177.2 | -170.2 | -174.8 | -66.4 | -90 | 7.6 | 112 | L21 S22 R23 M28 K29 I37 L42 | L21-R25 WeakPolarHBondContact O-CB 3.43Å; L21-R25 PolarHBondContact O-N 2.95Å; S22-R25 PolarHBondContact O-N 3.44Å; R23-R25 VanDerWaalsContact C-N 3.32Å; R23-R25 PolarHBondContact O-N 3.34Å; R25-M28 PolarHBondContact O-N 2.92Å; R25-K29 WeakPolarHBondContact O-CB 3.43Å; R25-K29 WeakPolarHBondContact O-CG 3.46Å; R25-K29 PolarHBondContact O-N 2.98Å; R25-I37 HydrophobicContact CG-CD1 4.01Å; R25-I37 PolarHBondContact NH1-O 3.36Å; R25-L42 HydrophobicContact CB-CD1 3.99Å; R25-L42 HydrophobicContact CB-CD2 4.24Å; R25-L42 VanDerWaalsContact CZ-CD2 3.45Å |
| 26 | V | 97.4 | Very high | 93.5 | Very high | 87 Ų | 87 | 88 Ų | 88 | 53% | 0.527 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.2 | -44.1 | 176.3 | 169.4 | 0 | 0 | 0 | 0 | 111.3 | S22 R23 I24 K29 S30 | S22-V26 WeakPolarHBondContact O-CG2 3.32Å; S22-V26 PolarHBondContact O-N 3.09Å; S22-V26 VanDerWaalsContact O-N 3.13Å; R23-V26 PolarHBondContact O-N 2.92Å; I24-V26 VanDerWaalsContact C-N 3.31Å; I24-V26 PolarHBondContact O-N 3Å; V26-K29 PolarHBondContact O-N 3.36Å; V26-S30 PolarHBondContact O-N 2.9Å; V26-S30 VanDerWaalsContact O-N 3.13Å |
| 27 | I | 97.1 | Very high | 94.6 | Very high | 98 Ų | 98 | 81.7 Ų | 81.7 | 50% | 0.503 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -64.8 | -44.5 | 177.9 | -65.9 | 164 | 0 | 0 | 0 | 110.7 | R23 I24 K29 S30 | R23-I27 HydrophobicContact CG-CD1 4.19Å; R23-I27 WeakPolarHBondContact O-CG1 3.26Å; R23-I27 PolarHBondContact O-N 3.29Å; I24-I27 PolarHBondContact O-N 3.09Å; I24-I27 VanDerWaalsContact O-N 3.16Å; I27-K29 VanDerWaalsContact C-N 3.27Å; I27-K29 PolarHBondContact O-N 3.47Å; I27-S30 PolarHBondContact O-N 3.43Å; I27-S30 VanDerWaalsContact O-N 3.1Å; I27-S30 PolarHBondContact O-OG 2.94Å |
| 28 | M | 97.3 | Very high | 95.2 | Very high | 42 Ų | 42 | 85.1 Ų | 85.1 | 21% | 0.207 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -60 | -38.9 | 176.6 | -70 | 175.7 | 77.6 | 0 | 0 | 111.9 | I24 R25 S30 V34 I37 L42 T45 | I24-M28 HydrophobicContact CG2-CG 4.22Å; I24-M28 HydrophobicContact CG2-SD 3.92Å; I24-M28 WeakPolarHBondContact O-CG 3.36Å; I24-M28 PolarHBondContact O-N 2.75Å; R25-M28 PolarHBondContact O-N 2.92Å; M28-S30 VanDerWaalsContact C-N 3.3Å; M28-S30 PolarHBondContact O-N 3.5Å; M28-V34 WeakPolarHBondContact O-CB 3.4Å; M28-I37 HydrophobicContact CB-CD1 3.42Å; M28-I37 VanDerWaalsContact CB-CD1 3.42Å; M28-I37 HydrophobicContact CB-CG1 4.44Å; M28-I37 HydrophobicContact CE-CD1 4.3Å; M28-I37 HydrophobicContact CE-CG1 4.32Å; M28-I37 HydrophobicContact CE-CG2 3.65Å; M28-I37 HydrophobicContact CG-CD1 4.41Å; M28-I37 HydrophobicContact SD-CD1 4.21Å; M28-I37 HydrophobicContact SD-CG2 4.08Å; M28-L42 HydrophobicContact SD-CD1 3.8Å; M28-T45 HydrophobicContact CE-CG2 4.44Å; M28-T45 HydrophobicContact CG-CG2 4.31Å; M28-T45 HydrophobicContact SD-CG2 3.99Å |
| 29 | K | 96.6 | Very high | 95.4 | Very high | 114 Ų | 114 | 84.7 Ų | 84.7 | 50% | 0.496 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -7.6 | 177.1 | -74.6 | -164.9 | 170.7 | -162.6 | 0 | 114.9 | R25 V26 I27 S31 I37 | R25-K29 WeakPolarHBondContact O-CB 3.43Å; R25-K29 WeakPolarHBondContact O-CG 3.46Å; R25-K29 PolarHBondContact O-N 2.98Å; V26-K29 PolarHBondContact O-N 3.36Å; I27-K29 VanDerWaalsContact C-N 3.27Å; I27-K29 PolarHBondContact O-N 3.47Å; K29-S31 PolarHBondContact O-N 3.14Å; K29-I37 HydrophobicContact CG-CD1 3.62Å |
| 30 | S | 96.3 | Very high | 95.5 | Very high | 95 Ų | 95 | 88.9 Ų | 88.9 | 66% | 0.664 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -14.1 | 174.4 | 73 | 0 | 0 | 0 | 0 | 112.3 | V26 I27 M28 | V26-S30 PolarHBondContact O-N 2.9Å; V26-S30 VanDerWaalsContact O-N 3.13Å; I27-S30 PolarHBondContact O-N 3.43Å; I27-S30 VanDerWaalsContact O-N 3.1Å; I27-S30 PolarHBondContact O-OG 2.94Å; M28-S30 VanDerWaalsContact C-N 3.3Å; M28-S30 PolarHBondContact O-N 3.5Å |
| 31 | S | 94.9 | Very high | 95.6 | Very high | 52 Ų | 52 | 87.1 Ų | 87.1 | 36% | 0.364 | 48% | 0.479 | S | S | . | . | S | Bend | trans | -76.5 | 127.3 | 169.8 | -177.5 | 0 | 0 | 0 | 0 | 110 | K29 E33 V34 | K29-S31 PolarHBondContact O-N 3.14Å; S31-E33 PolarHBondContact O-N 3.3Å; S31-E33 VanDerWaalsContact O-N 3.15Å; S31-V34 PolarHBondContact O-N 3.29Å; S31-V34 VanDerWaalsContact O-N 3.12Å |
| 32 | P | 93.7 | Very high | 95.6 | Very high | 124 Ų | 124 | 84.6 Ų | 84.6 | 81% | 0.805 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -24.2 | -178.4 | 24.8 | -33.6 | 0 | 0 | 0 | 113.1 | V34 | P32-V34 VanDerWaalsContact C-N 3.3Å; P32-V34 PolarHBondContact O-N 3.13Å |
| 33 | E | 94.3 | Very high | 95.6 | Very high | 167 Ų | 167 | 83.1 Ų | 83.1 | 78% | 0.78 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -6.7 | -179.4 | -56.2 | -55.1 | 143.6 | 0 | 0 | 113.7 | S31 | S31-E33 PolarHBondContact O-N 3.3Å; S31-E33 VanDerWaalsContact O-N 3.15Å |
| 34 | V | 94.1 | Very high | 95.6 | Very high | 50 Ų | 50 | 81.7 Ų | 81.7 | 30% | 0.303 | 46% | 0.456 | S | S | . | . | trans | -104.7 | 95.5 | -173.6 | -179.5 | 0 | 0 | 0 | 0 | 111 | M28 S31 P32 I37 | M28-V34 WeakPolarHBondContact O-CB 3.4Å; S31-V34 PolarHBondContact O-N 3.29Å; S31-V34 VanDerWaalsContact O-N 3.12Å; P32-V34 VanDerWaalsContact C-N 3.3Å; P32-V34 PolarHBondContact O-N 3.13Å; V34-I37 HydrophobicContact CG1-CD1 3.96Å; V34-I37 HydrophobicContact CG1-CG1 3.6Å | ||
| 35 | S | 90.6 | Very high | 95.5 | Very high | 107 Ų | 107 | 83.5 Ų | 83.5 | 75% | 0.748 | 47% | 0.468 | S | S | * | . | trans | -81.2 | -45.2 | 178.6 | 61.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 36 | S | 94.3 | Very high | 95.5 | Very high | 98 Ų | 98 | 79.6 Ų | 79.6 | 69% | 0.685 | 45% | 0.453 | S | S | * | . | trans | -138.5 | 153.9 | -178.1 | 69.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 37 | I | 96.5 | Very high | 95.5 | Very high | 21 Ų | 21 | 79.5 Ų | 79.5 | 11% | 0.108 | 45% | 0.445 | C | S | . | . | trans | -134.9 | 117.5 | -175.7 | -58 | 164.1 | 0 | 0 | 0 | 108.6 | R25 M28 K29 V34 L42 | R25-I37 HydrophobicContact CG-CD1 4.01Å; R25-I37 PolarHBondContact NH1-O 3.36Å; M28-I37 HydrophobicContact CB-CD1 3.42Å; M28-I37 VanDerWaalsContact CB-CD1 3.42Å; M28-I37 HydrophobicContact CB-CG1 4.44Å; M28-I37 HydrophobicContact CE-CD1 4.3Å; M28-I37 HydrophobicContact CE-CG1 4.32Å; M28-I37 HydrophobicContact CE-CG2 3.65Å; M28-I37 HydrophobicContact CG-CD1 4.41Å; M28-I37 HydrophobicContact SD-CD1 4.21Å; M28-I37 HydrophobicContact SD-CG2 4.08Å; K29-I37 HydrophobicContact CG-CD1 3.62Å; V34-I37 HydrophobicContact CG1-CD1 3.96Å; V34-I37 HydrophobicContact CG1-CG1 3.6Å; I37-L42 HydrophobicContact CG2-CB 4.05Å | ||
| 38 | N | 96.3 | Very high | 95.5 | Very high | 100 Ų | 100 | 77.3 Ų | 77.3 | 54% | 0.535 | 44% | 0.442 | S | S | . | . | trans | -64.3 | 147.7 | 171.8 | -174.7 | 13.1 | 0 | 0 | 0 | 110.9 | E40 A41 L42 | N38-E40 VanDerWaalsContact C-N 3.33Å; N38-E40 PolarHBondContact O-N 3.27Å; N38-A41 HydrophobicContact CB-CB 4.34Å; N38-A41 PolarHBondContact O-N 3.44Å; N38-L42 PolarHBondContact O-N 3.4Å | ||
| 39 | Q | 95.2 | Very high | 95.5 | Very high | 92 Ų | 92 | 77.7 Ų | 77.7 | 43% | 0.43 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -61.9 | -38.9 | 179.4 | -173.8 | 57.6 | 33.3 | 0 | 0 | 112.5 | L42 V43 | Q39-L42 WeakPolarHBondContact O-CB 3.43Å; Q39-L42 PolarHBondContact O-N 3.48Å; Q39-V43 VanDerWaalsContact O-CG2 3.31Å; Q39-V43 WeakPolarHBondContact O-CG2 3.48Å; Q39-V43 PolarHBondContact O-N 3.42Å |
| 40 | E | 94.8 | Very high | 95.4 | Very high | 150 Ų | 150 | 73.5 Ų | 73.5 | 70% | 0.701 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -65.7 | -43.6 | 177.6 | -64.3 | -178.1 | 158.7 | 0 | 0 | 112 | N38 L42 V43 L44 | N38-E40 VanDerWaalsContact C-N 3.33Å; N38-E40 PolarHBondContact O-N 3.27Å; E40-L42 VanDerWaalsContact C-N 3.31Å; E40-L42 PolarHBondContact O-N 3.07Å; E40-V43 PolarHBondContact O-N 2.86Å; E40-L44 WeakPolarHBondContact O-CB 3.42Å; E40-L44 PolarHBondContact O-N 3.16Å |
| 41 | A | 95.9 | Very high | 95.4 | Very high | 41 Ų | 41 | 73.5 Ų | 73.5 | 34% | 0.339 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -60.5 | -42.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | N38 V43 L44 T45 | N38-A41 HydrophobicContact CB-CB 4.34Å; N38-A41 PolarHBondContact O-N 3.44Å; A41-V43 PolarHBondContact O-N 3.47Å; A41-L44 PolarHBondContact O-N 2.63Å; A41-T45 WeakPolarHBondContact O-CB 3.48Å; A41-T45 PolarHBondContact O-N 3.47Å; A41-T45 PolarHBondContact O-OG1 3.47Å |
| 42 | L | 96.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 74.4 Ų | 74.4 | 0% | 0 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -60.7 | -45.5 | 176.7 | 178.3 | 61.6 | 0 | 0 | 0 | 112.3 | L21 I24 R25 M28 I37 N38 Q39 E40 A46 | L21-L42 HydrophobicContact CB-CD2 4.15Å; L21-L42 HydrophobicContact CB-CG 4.48Å; L21-L42 HydrophobicContact CD2-CG 4.29Å; I24-L42 HydrophobicContact CB-CD1 3.99Å; I24-L42 HydrophobicContact CG2-CD1 3.65Å; R25-L42 HydrophobicContact CB-CD1 3.99Å; R25-L42 HydrophobicContact CB-CD2 4.24Å; R25-L42 VanDerWaalsContact CZ-CD2 3.45Å; M28-L42 HydrophobicContact SD-CD1 3.8Å; I37-L42 HydrophobicContact CG2-CB 4.05Å; N38-L42 PolarHBondContact O-N 3.4Å; Q39-L42 WeakPolarHBondContact O-CB 3.43Å; Q39-L42 PolarHBondContact O-N 3.48Å; E40-L42 VanDerWaalsContact C-N 3.31Å; E40-L42 PolarHBondContact O-N 3.07Å; L42-A46 WeakPolarHBondContact O-CB 3.49Å; L42-A46 PolarHBondContact O-N 3.08Å |
| 43 | V | 95.5 | Very high | 95.7 | Very high | 58 Ų | 58 | 72.7 Ų | 72.7 | 35% | 0.352 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -64.2 | -44.2 | 178 | 166.1 | 0 | 0 | 0 | 0 | 110.5 | I17 L21 Q39 E40 A41 A46 K47 | I17-V43 HydrophobicContact CD1-CB 3.86Å; I17-V43 HydrophobicContact CD1-CG1 3.5Å; I17-V43 HydrophobicContact CD1-CG2 4.02Å; I17-V43 WeakPolarHBondContact CD1-O 3.29Å; L21-V43 HydrophobicContact CD1-CG2 4.42Å; Q39-V43 VanDerWaalsContact O-CG2 3.31Å; Q39-V43 WeakPolarHBondContact O-CG2 3.48Å; Q39-V43 PolarHBondContact O-N 3.42Å; E40-V43 PolarHBondContact O-N 2.86Å; A41-V43 PolarHBondContact O-N 3.47Å; V43-A46 WeakPolarHBondContact O-CB 3.45Å; V43-A46 PolarHBondContact O-N 3.43Å; V43-K47 PolarHBondContact O-N 3.48Å; V43-K47 VanDerWaalsContact O-N 3.07Å |
| 44 | L | 96.3 | Very high | 95.8 | Very high | 126 Ų | 126 | 70.3 Ų | 70.3 | 66% | 0.66 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -63 | -48.3 | 177.6 | -178.2 | 62.7 | 0 | 0 | 0 | 111.8 | E40 A41 A46 K47 A48 | E40-L44 WeakPolarHBondContact O-CB 3.42Å; E40-L44 PolarHBondContact O-N 3.16Å; A41-L44 PolarHBondContact O-N 2.63Å; L44-A46 VanDerWaalsContact C-N 3.27Å; L44-A46 PolarHBondContact O-N 3.4Å; L44-K47 PolarHBondContact O-N 3.36Å; L44-K47 VanDerWaalsContact O-N 3.16Å; L44-A48 WeakPolarHBondContact O-CB 3.36Å; L44-A48 PolarHBondContact O-N 3.39Å |
| 45 | T | 96.3 | Very high | 96 | Very high | 50 Ų | 50 | 71.1 Ų | 71.1 | 31% | 0.307 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -60.1 | -39.4 | 177.1 | -60.4 | 0 | 0 | 0 | 0 | 111.3 | I24 M28 A41 K47 A48 T49 | I24-T45 HydrophobicContact CG2-CG2 4.12Å; M28-T45 HydrophobicContact CE-CG2 4.44Å; M28-T45 HydrophobicContact CG-CG2 4.31Å; M28-T45 HydrophobicContact SD-CG2 3.99Å; A41-T45 WeakPolarHBondContact O-CB 3.48Å; A41-T45 PolarHBondContact O-N 3.47Å; A41-T45 PolarHBondContact O-OG1 3.47Å; T45-K47 PolarHBondContact O-N 3.38Å; T45-A48 PolarHBondContact O-N 3.15Å; T45-T49 WeakPolarHBondContact O-CB 3.41Å; T45-T49 PolarHBondContact O-N 3.3Å; T45-T49 PolarHBondContact O-OG1 2.9Å |
| 46 | A | 96.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -58.5 | -49.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | I17 L21 I24 L42 V43 L44 T49 E50 | I17-A46 HydrophobicContact CB-CB 4.49Å; I17-A46 HydrophobicContact CD1-CB 3.76Å; I17-A46 HydrophobicContact CG1-CB 4.17Å; I17-A46 HydrophobicContact CG2-CB 3.54Å; L21-A46 HydrophobicContact CD2-CB 3.71Å; I24-A46 HydrophobicContact CD1-CB 3.32Å; L42-A46 WeakPolarHBondContact O-CB 3.49Å; L42-A46 PolarHBondContact O-N 3.08Å; V43-A46 WeakPolarHBondContact O-CB 3.45Å; V43-A46 PolarHBondContact O-N 3.43Å; L44-A46 VanDerWaalsContact C-N 3.27Å; L44-A46 PolarHBondContact O-N 3.4Å; A46-T49 PolarHBondContact O-N 2.79Å; A46-E50 PolarHBondContact O-N 3.43Å; A46-E50 VanDerWaalsContact O-N 3.15Å |
| 47 | K | 96.1 | Very high | 96.5 | Very high | 84 Ų | 84 | 64 Ų | 64 | 37% | 0.365 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -65.4 | -42.3 | 179.8 | -166.8 | 72.9 | -154.7 | 161.5 | 0 | 112.1 | L16 V43 L44 T45 T49 E50 L51 | L16-K47 WeakPolarHBondContact O-CD 3.32Å; L16-K47 PolarHBondContact O-NZ 2.85Å; V43-K47 PolarHBondContact O-N 3.48Å; V43-K47 VanDerWaalsContact O-N 3.07Å; L44-K47 PolarHBondContact O-N 3.36Å; L44-K47 VanDerWaalsContact O-N 3.16Å; T45-K47 PolarHBondContact O-N 3.38Å; K47-T49 VanDerWaalsContact C-N 3.28Å; K47-T49 PolarHBondContact O-N 2.99Å; K47-E50 IonicContact NZ-OE2 2.81Å; K47-E50 PolarHBondContact NZ-OE2 3.11Å; K47-E50 PolarHBondContact O-N 3.32Å; K47-L51 HydrophobicContact CG-CD1 4.47Å; K47-L51 WeakPolarHBondContact O-CG 3.49Å; K47-L51 PolarHBondContact O-N 3.47Å; K47-L51 VanDerWaalsContact O-N 3.08Å |
| 48 | A | 96.8 | Very high | 96.5 | Very high | 52 Ų | 52 | 66.7 Ų | 66.7 | 43% | 0.43 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -60.4 | -39.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | L44 T45 E50 L51 F52 | L44-A48 WeakPolarHBondContact O-CB 3.36Å; L44-A48 PolarHBondContact O-N 3.39Å; T45-A48 PolarHBondContact O-N 3.15Å; A48-E50 PolarHBondContact O-N 2.83Å; A48-L51 PolarHBondContact O-N 2.92Å; A48-F52 WeakPolarHBondContact O-CB 3.43Å; A48-F52 PolarHBondContact O-N 2.78Å |
| 49 | T | 97.2 | Very high | 96.5 | Very high | 51 Ų | 51 | 65.9 Ų | 65.9 | 31% | 0.313 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.6 | -40.7 | 177.8 | -54.7 | 0 | 0 | 0 | 0 | 111.6 | L19 T45 A46 K47 F52 V53 | L19-T49 HydrophobicContact CD1-CG2 3.7Å; T45-T49 WeakPolarHBondContact O-CB 3.41Å; T45-T49 PolarHBondContact O-N 3.3Å; T45-T49 PolarHBondContact O-OG1 2.9Å; A46-T49 PolarHBondContact O-N 2.79Å; K47-T49 VanDerWaalsContact C-N 3.28Å; K47-T49 PolarHBondContact O-N 2.99Å; T49-F52 PolarHBondContact O-N 3.22Å; T49-V53 WeakPolarHBondContact O-CG2 3.17Å; T49-V53 PolarHBondContact O-N 3.43Å |
| 50 | E | 95.9 | Very high | 96.6 | Very high | 26 Ų | 26 | 61.5 Ų | 61.5 | 12% | 0.121 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.9 | -48.9 | 175 | -69.3 | 173.6 | -176.9 | 0 | 0 | 112.1 | S18 L19 A46 K47 A48 F52 V53 Q54 | S18-E50 WeakPolarHBondContact CA-OE1 3.49Å; S18-E50 WeakPolarHBondContact CB-OE1 3.35Å; S18-E50 PolarHBondContact N-OE1 3.38Å; L19-E50 HydrophobicContact CD1-CG 3.7Å; L19-E50 HydrophobicContact CG-CG 3.72Å; L19-E50 PolarHBondContact N-OE1 3.26Å; L19-E50 VanDerWaalsContact N-OE1 3.08Å; A46-E50 PolarHBondContact O-N 3.43Å; A46-E50 VanDerWaalsContact O-N 3.15Å; K47-E50 IonicContact NZ-OE2 2.81Å; K47-E50 PolarHBondContact NZ-OE2 3.11Å; K47-E50 PolarHBondContact O-N 3.32Å; A48-E50 PolarHBondContact O-N 2.83Å; E50-F52 VanDerWaalsContact C-N 3.27Å; E50-F52 PolarHBondContact O-N 2.91Å; E50-V53 PolarHBondContact O-N 3.44Å; E50-Q54 WeakPolarHBondContact O-CG 3.39Å; E50-Q54 PolarHBondContact O-N 3.22Å; E50-Q54 VanDerWaalsContact O-N 3.08Å |
| 51 | L | 96.5 | Very high | 96.7 | Very high | 95 Ų | 95 | 58.1 Ų | 58.1 | 50% | 0.497 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.5 | -37.4 | 178.4 | -67.8 | 175 | 0 | 0 | 0 | 111.1 | K47 A48 Q54 C55 | K47-L51 HydrophobicContact CG-CD1 4.47Å; K47-L51 WeakPolarHBondContact O-CG 3.49Å; K47-L51 PolarHBondContact O-N 3.47Å; K47-L51 VanDerWaalsContact O-N 3.08Å; A48-L51 PolarHBondContact O-N 2.92Å; L51-Q54 PolarHBondContact O-N 2.97Å; L51-C55 WeakPolarHBondContact O-CB 3.49Å; L51-C55 PolarHBondContact O-N 2.9Å |
| 52 | F | 97.5 | Very high | 96.6 | Very high | 70 Ų | 70 | 64.3 Ų | 64.3 | 31% | 0.307 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62 | -48.2 | 176.2 | 174.4 | -100.6 | 0 | 0 | 0 | 111.9 | A48 T49 E50 Q54 C55 L56 F87 F89 L90 | A48-F52 WeakPolarHBondContact O-CB 3.43Å; A48-F52 PolarHBondContact O-N 2.78Å; T49-F52 PolarHBondContact O-N 3.22Å; E50-F52 VanDerWaalsContact C-N 3.27Å; E50-F52 PolarHBondContact O-N 2.91Å; F52-Q54 VanDerWaalsContact C-N 3.32Å; F52-Q54 PolarHBondContact O-N 3.38Å; F52-C55 PolarHBondContact O-N 2.79Å; F52-L56 HydrophobicContact CE1-CD2 4.43Å; F52-L56 HydrophobicContact CZ-CD2 4.49Å; F52-L56 WeakPolarHBondContact O-CB 3.35Å; F52-L56 PolarHBondContact O-N 3.24Å; F52-F87 HydrophobicContact CE2-CD1 4.11Å; F52-F87 AromaticContact CE2-CE1 3.98Å; F52-F87 HydrophobicContact CE2-CE1 3.98Å; F52-F89 HydrophobicContact CE1-CZ 4.39Å; F52-F89 AromaticContact CE2-CE1 3.95Å; F52-F89 HydrophobicContact CE2-CE1 3.95Å; F52-F89 AromaticContact CE2-CZ 3.66Å; F52-F89 HydrophobicContact CE2-CZ 3.66Å; F52-F89 HydrophobicContact CZ-CE1 4.06Å; F52-F89 HydrophobicContact CZ-CE2 4.44Å; F52-F89 AromaticContact CZ-CZ 3.43Å; F52-F89 HydrophobicContact CZ-CZ 3.43Å; F52-F89 VanDerWaalsContact CZ-CZ 3.43Å; F52-L90 HydrophobicContact CZ-CD1 4.03Å |
| 53 | V | 96.8 | Very high | 96.5 | Very high | 88 Ų | 88 | 70 Ų | 70 | 53% | 0.533 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60.9 | -43.3 | 177.6 | 171.5 | 0 | 0 | 0 | 0 | 110.9 | T49 E50 A57 | T49-V53 WeakPolarHBondContact O-CG2 3.17Å; T49-V53 PolarHBondContact O-N 3.43Å; E50-V53 PolarHBondContact O-N 3.44Å; V53-A57 WeakPolarHBondContact O-CB 3.48Å; V53-A57 PolarHBondContact O-N 3.28Å |
| 54 | Q | 96.9 | Very high | 96.2 | Very high | 118 Ų | 118 | 68.5 Ų | 68.5 | 55% | 0.551 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -63 | -42.7 | 175.8 | -71.8 | 177.7 | -11.8 | 0 | 0 | 112.1 | E50 L51 F52 T58 | E50-Q54 WeakPolarHBondContact O-CG 3.39Å; E50-Q54 PolarHBondContact O-N 3.22Å; E50-Q54 VanDerWaalsContact O-N 3.08Å; L51-Q54 PolarHBondContact O-N 2.97Å; F52-Q54 VanDerWaalsContact C-N 3.32Å; F52-Q54 PolarHBondContact O-N 3.38Å; Q54-T58 VanDerWaalsContact O-CB 3.22Å; Q54-T58 WeakPolarHBondContact O-CB 3.11Å; Q54-T58 PolarHBondContact O-N 3.46Å; Q54-T58 PolarHBondContact O-OG1 2.91Å |
| 55 | C | 97.4 | Very high | 95.9 | Very high | 67 Ų | 67 | 63.7 Ų | 63.7 | 45% | 0.453 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.1 | -52 | 179.2 | -173.8 | 0 | 0 | 0 | 0 | 110.9 | L51 F52 A57 T58 Y59 | L51-C55 WeakPolarHBondContact O-CB 3.49Å; L51-C55 PolarHBondContact O-N 2.9Å; F52-C55 PolarHBondContact O-N 2.79Å; C55-A57 PolarHBondContact O-N 3.48Å; C55-T58 PolarHBondContact O-N 3.04Å; C55-Y59 WeakPolarHBondContact O-CB 3.25Å; C55-Y59 PolarHBondContact O-N 2.97Å |
| 56 | L | 97.7 | Very high | 95.4 | Very high | 22 Ų | 22 | 61.3 Ų | 61.3 | 12% | 0.115 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -56.8 | -51.9 | 177.7 | 177.4 | 63.5 | 0 | 0 | 0 | 110.9 | F52 T58 Y59 S60 L77 T80 F87 L90 | F52-L56 HydrophobicContact CE1-CD2 4.43Å; F52-L56 HydrophobicContact CZ-CD2 4.49Å; F52-L56 WeakPolarHBondContact O-CB 3.35Å; F52-L56 PolarHBondContact O-N 3.24Å; L56-T58 PolarHBondContact O-N 3.18Å; L56-Y59 PolarHBondContact O-N 3.04Å; L56-S60 WeakPolarHBondContact O-CB 3.47Å; L56-S60 PolarHBondContact O-N 2.74Å; L56-S60 PolarHBondContact O-OG 2.96Å; L56-S60 VanDerWaalsContact O-OG 3.04Å; L56-L77 HydrophobicContact CD1-CD2 4.32Å; L56-L77 HydrophobicContact CD2-CD2 4.22Å; L56-L77 HydrophobicContact CG-CD2 3.9Å; L56-T80 HydrophobicContact CD1-CG2 4.15Å; L56-F87 HydrophobicContact CB-CE1 4.16Å; L56-F87 HydrophobicContact CD1-CD1 3.82Å; L56-F87 HydrophobicContact CD1-CE1 3.98Å; L56-F87 HydrophobicContact CD1-CG 4.14Å; L56-F87 HydrophobicContact CD1-CZ 4.43Å; L56-L90 HydrophobicContact CD1-CD1 4.09Å; L56-L90 HydrophobicContact CD2-CD1 3.87Å |
| 57 | A | 97.2 | Very high | 94.8 | Very high | 34 Ų | 34 | 68.8 Ų | 68.8 | 28% | 0.281 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.7 | -44.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V53 C55 Y61 L72 | V53-A57 WeakPolarHBondContact O-CB 3.48Å; V53-A57 PolarHBondContact O-N 3.28Å; C55-A57 PolarHBondContact O-N 3.48Å; A57-Y61 WeakPolarHBondContact O-CB 3.32Å; A57-Y61 PolarHBondContact O-N 2.93Å; A57-L72 HydrophobicContact CB-CD2 4.04Å |
| 58 | T | 96.8 | Very high | 94.6 | Very high | 77 Ų | 77 | 72.8 Ų | 72.8 | 47% | 0.472 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -68 | -43.1 | 179.8 | -58.3 | 0 | 0 | 0 | 0 | 111.4 | Q54 C55 L56 Y61 R62 | Q54-T58 VanDerWaalsContact O-CB 3.22Å; Q54-T58 WeakPolarHBondContact O-CB 3.11Å; Q54-T58 PolarHBondContact O-N 3.46Å; Q54-T58 PolarHBondContact O-OG1 2.91Å; C55-T58 PolarHBondContact O-N 3.04Å; L56-T58 PolarHBondContact O-N 3.18Å; T58-Y61 PolarHBondContact O-N 2.96Å; T58-R62 HydrophobicContact CG2-CG 4.4Å; T58-R62 WeakPolarHBondContact O-CB 3.35Å; T58-R62 WeakPolarHBondContact O-CG 3.48Å; T58-R62 PolarHBondContact O-N 3.33Å |
| 59 | Y | 96.7 | Very high | 94.5 | Very high | 83 Ų | 83 | 76.6 Ų | 76.6 | 33% | 0.325 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.8 | -50.7 | 179.3 | -170.3 | -80 | 0 | 0 | 0 | 110.5 | C55 L56 Y61 R62 H63 T80 F87 | C55-Y59 WeakPolarHBondContact O-CB 3.25Å; C55-Y59 PolarHBondContact O-N 2.97Å; L56-Y59 PolarHBondContact O-N 3.04Å; Y59-Y61 VanDerWaalsContact C-N 3.31Å; Y59-Y61 PolarHBondContact O-N 3.21Å; Y59-R62 PolarHBondContact O-N 3.06Å; Y59-H63 HydrophobicContact CD1-CB 4.45Å; Y59-H63 AromaticContact CD1-ND1 3.52Å; Y59-H63 AromaticContact CD2-CE1 3.51Å; Y59-H63 AromaticContact CD2-ND1 3.67Å; Y59-H63 HydrophobicContact CE1-CB 4.2Å; Y59-H63 AromaticContact CE1-CG 3.87Å; Y59-H63 AromaticContact CE1-ND1 3.57Å; Y59-H63 AromaticContact CE2-CE1 3.39Å; Y59-H63 WeakPolarHBondContact CE2-CE1 3.35Å; Y59-H63 AromaticContact CE2-ND1 3.71Å; Y59-H63 AromaticContact CG-CE1 3.92Å; Y59-H63 AromaticContact CG-ND1 3.58Å; Y59-H63 AromaticContact CZ-CE1 3.7Å; Y59-H63 AromaticContact CZ-ND1 3.67Å; Y59-H63 PolarHBondContact O-N 3.34Å; Y59-H63 PolarHBondContact O-ND1 2.75Å; Y59-T80 HydrophobicContact CD1-CG2 3.5Å; Y59-T80 HydrophobicContact CE1-CG2 3.91Å; Y59-F87 HydrophobicContact CD1-CD2 4.28Å; Y59-F87 AromaticContact CD1-CE2 3.78Å; Y59-F87 HydrophobicContact CD1-CE2 3.78Å; Y59-F87 HydrophobicContact CD2-CE2 4.07Å; Y59-F87 HydrophobicContact CE1-CE2 4.27Å; Y59-F87 AromaticContact CG-CE2 3.66Å; Y59-F87 HydrophobicContact CG-CE2 3.66Å; Y59-F87 HydrophobicContact CG-CZ 4.37Å |
| 60 | S | 96.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 82.4 Ų | 82.4 | 0% | 0 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -61.6 | -37.9 | 178.1 | -60.9 | 0 | 0 | 0 | 0 | 112.6 | L56 G64 T80 | L56-S60 WeakPolarHBondContact O-CB 3.47Å; L56-S60 PolarHBondContact O-N 2.74Å; L56-S60 PolarHBondContact O-OG 2.96Å; L56-S60 VanDerWaalsContact O-OG 3.04Å; S60-G64 WeakPolarHBondContact O-CA 2.84Å; S60-G64 PolarHBondContact O-N 3.04Å; S60-T80 VanDerWaalsContact CA-OG1 3.26Å; S60-T80 WeakPolarHBondContact CA-OG1 3.43Å; S60-T80 VanDerWaalsContact CB-OG1 3.29Å; S60-T80 WeakPolarHBondContact CB-OG1 3.46Å; S60-T80 WeakPolarHBondContact OG-CB 3.45Å; S60-T80 WeakPolarHBondContact OG-CG2 3.41Å; S60-T80 PolarHBondContact OG-OG1 2.8Å |
| 61 | Y | 96.9 | Very high | 94.4 | Very high | 78 Ų | 78 | 85.1 Ų | 85.1 | 31% | 0.306 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -65.6 | -39 | 176.5 | -179 | -95.5 | 0 | 0 | 0 | 112.6 | A57 T58 Y59 G66 K67 L72 | A57-Y61 WeakPolarHBondContact O-CB 3.32Å; A57-Y61 PolarHBondContact O-N 2.93Å; T58-Y61 PolarHBondContact O-N 2.96Å; Y59-Y61 VanDerWaalsContact C-N 3.31Å; Y59-Y61 PolarHBondContact O-N 3.21Å; Y61-G66 WeakPolarHBondContact CE2-O 3.36Å; Y61-G66 VanDerWaalsContact CZ-O 3.28Å; Y61-G66 CarbonylContact O-C 3.54Å; Y61-G66 WeakPolarHBondContact O-CA 3.19Å; Y61-G66 PolarHBondContact OH-O 3.08Å; Y61-K67 PolarHBondContact O-N 3.24Å; Y61-L72 HydrophobicContact CD2-CB 4.19Å |
| 62 | R | 95 | Very high | 94.4 | Very high | 171 Ų | 171 | 83.7 Ų | 83.7 | 65% | 0.645 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -79.1 | -35.6 | -176 | -71.7 | 173 | 71.1 | 110.2 | 1.2 | 113.7 | T58 Y59 | T58-R62 HydrophobicContact CG2-CG 4.4Å; T58-R62 WeakPolarHBondContact O-CB 3.35Å; T58-R62 WeakPolarHBondContact O-CG 3.48Å; T58-R62 PolarHBondContact O-N 3.33Å; Y59-R62 PolarHBondContact O-N 3.06Å |
| 63 | H | 92.8 | Very high | 94.3 | Very high | 121 Ų | 121 | 82.7 Ų | 82.7 | 56% | 0.56 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -99.9 | -18.7 | -175.8 | -58.6 | 89.6 | 0 | 0 | 0 | 112.9 | Y59 | Y59-H63 HydrophobicContact CD1-CB 4.45Å; Y59-H63 AromaticContact CD1-ND1 3.52Å; Y59-H63 AromaticContact CD2-CE1 3.51Å; Y59-H63 AromaticContact CD2-ND1 3.67Å; Y59-H63 HydrophobicContact CE1-CB 4.2Å; Y59-H63 AromaticContact CE1-CG 3.87Å; Y59-H63 AromaticContact CE1-ND1 3.57Å; Y59-H63 AromaticContact CE2-CE1 3.39Å; Y59-H63 WeakPolarHBondContact CE2-CE1 3.35Å; Y59-H63 AromaticContact CE2-ND1 3.71Å; Y59-H63 AromaticContact CG-CE1 3.92Å; Y59-H63 AromaticContact CG-ND1 3.58Å; Y59-H63 AromaticContact CZ-CE1 3.7Å; Y59-H63 AromaticContact CZ-ND1 3.67Å; Y59-H63 PolarHBondContact O-N 3.34Å; Y59-H63 PolarHBondContact O-ND1 2.75Å |
| 64 | G | 90.1 | Very high | 94.2 | Very high | 25 Ų | 25 | 82.3 Ų | 82.3 | 26% | 0.258 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -86.5 | -163.7 | 169 | 0 | 0 | 0 | 0 | 0 | 112.9 | S60 G66 | S60-G64 WeakPolarHBondContact O-CA 2.84Å; S60-G64 PolarHBondContact O-N 3.04Å; G64-G66 PolarHBondContact O-N 3.16Å |
| 65 | S | 89.6 | Confident | 94.1 | Very high | 26 Ų | 26 | 79.8 Ų | 79.8 | 18% | 0.182 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | 1.5 | 177.8 | 65.6 | 0 | 0 | 0 | 0 | 113.9 | K67 E68 K69 D76 | S65-K67 PolarHBondContact O-N 3.09Å; S65-E68 PolarHBondContact O-N 3.32Å; S65-K69 WeakPolarHBondContact O-CB 3.29Å; S65-K69 WeakPolarHBondContact O-CG 3.35Å; S65-K69 PolarHBondContact O-N 3.47Å; S65-K69 PolarHBondContact OG-NZ 3.45Å; S65-K69 VanDerWaalsContact OG-NZ 3.08Å; S65-D76 PolarHBondContact N-OD1 3.25Å; S65-D76 PolarHBondContact OG-OD1 2.88Å |
| 66 | G | 85.5 | Confident | 94 | Very high | 0 Ų | 0 | 76.8 Ų | 76.8 | 0% | 0 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -62.9 | -39.6 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y61 G64 E68 K70 V71 | Y61-G66 WeakPolarHBondContact CE2-O 3.36Å; Y61-G66 VanDerWaalsContact CZ-O 3.28Å; Y61-G66 CarbonylContact O-C 3.54Å; Y61-G66 WeakPolarHBondContact O-CA 3.19Å; Y61-G66 PolarHBondContact OH-O 3.08Å; G64-G66 PolarHBondContact O-N 3.16Å; G66-E68 VanDerWaalsContact C-N 3.31Å; G66-E68 PolarHBondContact O-N 3.43Å; G66-K70 WeakPolarHBondContact O-CA 3.26Å; G66-K70 PolarHBondContact O-N 3.13Å; G66-V71 VanDerWaalsContact CA-O 3.25Å; G66-V71 WeakPolarHBondContact CA-O 3.46Å; G66-V71 PolarHBondContact O-N 3.43Å |
| 67 | K | 85.3 | Confident | 94 | Very high | 156 Ų | 156 | 77.5 Ų | 77.5 | 68% | 0.678 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -61.4 | -38.7 | 178.4 | -169.8 | -177.4 | 178.3 | -171.7 | 0 | 112.9 | Y61 S65 | Y61-K67 PolarHBondContact O-N 3.24Å; S65-K67 PolarHBondContact O-N 3.09Å |
| 68 | E | 91.9 | Very high | 94 | Very high | 169 Ų | 169 | 76 Ų | 76 | 79% | 0.79 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -78.7 | -46.6 | -179.3 | -62.9 | 177.8 | 170.4 | 0 | 0 | 111.3 | S65 G66 K70 | S65-E68 PolarHBondContact O-N 3.32Å; G66-E68 VanDerWaalsContact C-N 3.31Å; G66-E68 PolarHBondContact O-N 3.43Å; E68-K70 VanDerWaalsContact C-N 3.31Å; E68-K70 PolarHBondContact O-N 3.18Å |
| 69 | K | 93.7 | Very high | 93.9 | Very high | 132 Ų | 132 | 74.3 Ų | 74.3 | 57% | 0.574 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -83.1 | -7.7 | -176.3 | -63.5 | 176.8 | -174 | 161.4 | 0 | 113.6 | S65 V71 | S65-K69 WeakPolarHBondContact O-CB 3.29Å; S65-K69 WeakPolarHBondContact O-CG 3.35Å; S65-K69 PolarHBondContact O-N 3.47Å; S65-K69 PolarHBondContact OG-NZ 3.45Å; S65-K69 VanDerWaalsContact OG-NZ 3.08Å; K69-V71 PolarHBondContact O-N 3.02Å; K69-V71 VanDerWaalsContact O-N 3.16Å |
| 70 | K | 94.8 | Very high | 93.8 | Very high | 172 Ų | 172 | 70.8 Ų | 70.8 | 75% | 0.748 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 26.5 | -173.3 | -58.9 | -178 | -179.7 | 176.8 | 0 | 113.9 | G66 E68 | G66-K70 WeakPolarHBondContact O-CA 3.26Å; G66-K70 PolarHBondContact O-N 3.13Å; E68-K70 VanDerWaalsContact C-N 3.31Å; E68-K70 PolarHBondContact O-N 3.18Å |
| 71 | V | 96 | Very high | 93.8 | Very high | 83 Ų | 83 | 70.8 Ų | 70.8 | 50% | 0.503 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -143.1 | 129.8 | -176.7 | 172.8 | 0 | 0 | 0 | 0 | 108.7 | G66 K69 T73 | G66-V71 VanDerWaalsContact CA-O 3.25Å; G66-V71 WeakPolarHBondContact CA-O 3.46Å; G66-V71 PolarHBondContact O-N 3.43Å; K69-V71 PolarHBondContact O-N 3.02Å; K69-V71 VanDerWaalsContact O-N 3.16Å; V71-T73 HydrophobicContact CG1-CG2 4.14Å |
| 72 | L | 96.9 | Very high | 93.7 | Very high | 66 Ų | 66 | 71.1 Ų | 71.1 | 35% | 0.346 | 35% | 0.345 | S | S | . | . | trans | -83 | 121.1 | 170 | -178.6 | 64.2 | 0 | 0 | 0 | 109.5 | A57 Y61 D76 L77 | A57-L72 HydrophobicContact CB-CD2 4.04Å; Y61-L72 HydrophobicContact CD2-CB 4.19Å; L72-D76 HydrophobicContact CD1-CB 3.91Å; L72-L77 HydrophobicContact CD2-CD2 4.41Å | ||
| 73 | T | 95.7 | Very high | 93.6 | Very high | 48 Ų | 48 | 69.6 Ų | 69.6 | 29% | 0.294 | 35% | 0.346 | S | S | . | . | trans | -107 | 162.6 | 178.8 | 72.8 | 0 | 0 | 0 | 0 | 111.7 | V71 S75 D76 L77 | V71-T73 HydrophobicContact CG1-CG2 4.14Å; T73-S75 PolarHBondContact O-N 3.34Å; T73-S75 PolarHBondContact OG1-N 2.75Å; T73-D76 WeakPolarHBondContact CA-OD2 3.31Å; T73-D76 WeakPolarHBondContact CB-OD2 3.4Å; T73-D76 PolarHBondContact N-OD2 3.01Å; T73-D76 PolarHBondContact O-N 3.08Å; T73-D76 VanDerWaalsContact O-N 3.15Å; T73-D76 VanDerWaalsContact OG1-CG 3.29Å; T73-D76 PolarHBondContact OG1-N 3.41Å; T73-D76 PolarHBondContact OG1-OD2 3.42Å; T73-L77 PolarHBondContact O-N 2.94Å | ||
| 74 | Y | 95.1 | Very high | 93.7 | Very high | 81 Ų | 81 | 64.4 Ų | 64.4 | 32% | 0.318 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -57.7 | -36.1 | 173 | 178.6 | -86.6 | 0 | 0 | 0 | 112.1 | D76 L77 A78 L94 P95 K97 | Y74-D76 VanDerWaalsContact C-N 3.27Å; Y74-D76 PolarHBondContact O-N 2.85Å; Y74-L77 PolarHBondContact O-N 3.48Å; Y74-A78 HydrophobicContact CD1-CB 4.33Å; Y74-A78 HydrophobicContact CE1-CB 3.87Å; Y74-A78 PolarHBondContact O-N 3.46Å; Y74-L94 HydrophobicContact CE2-CD2 4.09Å; Y74-P95 WeakPolarHBondContact CE1-O 3.41Å; Y74-P95 PolarHBondContact OH-O 3.16Å; Y74-K97 HydrophobicContact CD1-CD 4.17Å; Y74-K97 HydrophobicContact CD1-CG 4.4Å; Y74-K97 HydrophobicContact CE1-CD 4.06Å; Y74-K97 HydrophobicContact CE1-CG 3.89Å |
| 75 | S | 94.7 | Very high | 93.9 | Very high | 65 Ų | 65 | 71.3 Ų | 71.3 | 46% | 0.455 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.4 | -37 | 178.9 | -167.4 | 0 | 0 | 0 | 0 | 111.7 | T73 L77 A78 N79 | T73-S75 PolarHBondContact O-N 3.34Å; T73-S75 PolarHBondContact OG1-N 2.75Å; S75-L77 VanDerWaalsContact C-N 3.33Å; S75-A78 PolarHBondContact O-N 3.02Å; S75-N79 WeakPolarHBondContact O-CB 3.18Å; S75-N79 PolarHBondContact O-N 3.04Å; S75-N79 PolarHBondContact O-ND2 3.33Å; S75-N79 PolarHBondContact O-OD1 3.13Å; S75-N79 VanDerWaalsContact O-OD1 3.11Å |
| 76 | D | 95.9 | Very high | 94.2 | Very high | 3 Ų | 3 | 75.2 Ų | 75.2 | 2% | 0.016 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -66.1 | -39.1 | 178.6 | -53.5 | -58 | 0 | 0 | 0 | 110.9 | S65 L72 T73 Y74 T80 | S65-D76 PolarHBondContact N-OD1 3.25Å; S65-D76 PolarHBondContact OG-OD1 2.88Å; L72-D76 HydrophobicContact CD1-CB 3.91Å; T73-D76 WeakPolarHBondContact CA-OD2 3.31Å; T73-D76 WeakPolarHBondContact CB-OD2 3.4Å; T73-D76 PolarHBondContact N-OD2 3.01Å; T73-D76 PolarHBondContact O-N 3.08Å; T73-D76 VanDerWaalsContact O-N 3.15Å; T73-D76 VanDerWaalsContact OG1-CG 3.29Å; T73-D76 PolarHBondContact OG1-N 3.41Å; T73-D76 PolarHBondContact OG1-OD2 3.42Å; Y74-D76 VanDerWaalsContact C-N 3.27Å; Y74-D76 PolarHBondContact O-N 2.85Å; D76-T80 WeakPolarHBondContact O-CB 3.28Å; D76-T80 PolarHBondContact O-N 3.35Å; D76-T80 PolarHBondContact O-OG1 3.32Å |
| 77 | L | 96.8 | Very high | 94.7 | Very high | 38 Ų | 38 | 75.4 Ų | 75.4 | 20% | 0.199 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -65.9 | -47.5 | 174.8 | -69.5 | 166.6 | 0 | 0 | 0 | 111.8 | L56 L72 T73 Y74 S75 N79 T80 A81 L94 | L56-L77 HydrophobicContact CD1-CD2 4.32Å; L56-L77 HydrophobicContact CD2-CD2 4.22Å; L56-L77 HydrophobicContact CG-CD2 3.9Å; L72-L77 HydrophobicContact CD2-CD2 4.41Å; T73-L77 PolarHBondContact O-N 2.94Å; Y74-L77 PolarHBondContact O-N 3.48Å; S75-L77 VanDerWaalsContact C-N 3.33Å; L77-N79 PolarHBondContact O-N 2.85Å; L77-T80 WeakPolarHBondContact O-CB 3.36Å; L77-T80 PolarHBondContact O-N 3.2Å; L77-A81 PolarHBondContact O-N 3.38Å; L77-L94 HydrophobicContact CB-CD1 4.49Å |
| 78 | A | 96.4 | Very high | 95.3 | Very high | 1 Ų | 1 | 73.9 Ų | 73.9 | 1% | 0.008 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -64 | -39.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y74 S75 A81 Q82 L94 K96 | Y74-A78 HydrophobicContact CD1-CB 4.33Å; Y74-A78 HydrophobicContact CE1-CB 3.87Å; Y74-A78 PolarHBondContact O-N 3.46Å; S75-A78 PolarHBondContact O-N 3.02Å; A78-A81 PolarHBondContact O-N 3.04Å; A78-Q82 WeakPolarHBondContact O-CG 3.23Å; A78-Q82 PolarHBondContact O-N 3.35Å; A78-L94 WeakPolarHBondContact CA-O 3.39Å; A78-L94 WeakPolarHBondContact CB-O 3.44Å; A78-K96 HydrophobicContact CB-CG 4.24Å |
| 79 | N | 94.8 | Very high | 95.5 | Very high | 43 Ų | 43 | 72.2 Ų | 72.2 | 23% | 0.23 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64.4 | -45.7 | 174.7 | -65.9 | -0.8 | 0 | 0 | 0 | 110.9 | S75 L77 A81 Q82 E83 K96 | S75-N79 WeakPolarHBondContact O-CB 3.18Å; S75-N79 PolarHBondContact O-N 3.04Å; S75-N79 PolarHBondContact O-ND2 3.33Å; S75-N79 PolarHBondContact O-OD1 3.13Å; S75-N79 VanDerWaalsContact O-OD1 3.11Å; L77-N79 PolarHBondContact O-N 2.85Å; N79-A81 VanDerWaalsContact C-N 3.3Å; N79-A81 PolarHBondContact O-N 2.81Å; N79-Q82 PolarHBondContact O-N 2.87Å; N79-E83 WeakPolarHBondContact O-CB 3.49Å; N79-E83 WeakPolarHBondContact O-CG 3.35Å; N79-E83 PolarHBondContact O-N 2.81Å; N79-K96 WeakPolarHBondContact OD1-CE 3.18Å |
| 80 | T | 96.1 | Very high | 95.6 | Very high | 8 Ų | 8 | 66.8 Ų | 66.8 | 5% | 0.049 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -56.8 | -44.4 | 176.7 | -60.2 | 0 | 0 | 0 | 0 | 111.9 | L56 Y59 S60 D76 L77 Q82 S84 F87 | L56-T80 HydrophobicContact CD1-CG2 4.15Å; Y59-T80 HydrophobicContact CD1-CG2 3.5Å; Y59-T80 HydrophobicContact CE1-CG2 3.91Å; S60-T80 VanDerWaalsContact CA-OG1 3.26Å; S60-T80 WeakPolarHBondContact CA-OG1 3.43Å; S60-T80 VanDerWaalsContact CB-OG1 3.29Å; S60-T80 WeakPolarHBondContact CB-OG1 3.46Å; S60-T80 WeakPolarHBondContact OG-CB 3.45Å; S60-T80 WeakPolarHBondContact OG-CG2 3.41Å; S60-T80 PolarHBondContact OG-OG1 2.8Å; D76-T80 WeakPolarHBondContact O-CB 3.28Å; D76-T80 PolarHBondContact O-N 3.35Å; D76-T80 PolarHBondContact O-OG1 3.32Å; L77-T80 WeakPolarHBondContact O-CB 3.36Å; L77-T80 PolarHBondContact O-N 3.2Å; T80-Q82 PolarHBondContact O-N 3.43Å; T80-S84 VanDerWaalsContact O-CB 3.23Å; T80-S84 WeakPolarHBondContact O-CB 3.29Å; T80-S84 PolarHBondContact O-N 3.4Å; T80-S84 VanDerWaalsContact O-N 3.09Å; T80-F87 HydrophobicContact CG2-CB 4.32Å; T80-F87 HydrophobicContact CG2-CD2 3.42Å; T80-F87 VanDerWaalsContact CG2-CD2 3.42Å; T80-F87 HydrophobicContact CG2-CE2 3.95Å; T80-F87 HydrophobicContact CG2-CG 4.03Å |
| 81 | A | 96.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.7 | -27.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | L77 A78 N79 Q88 L90 L94 | L77-A81 PolarHBondContact O-N 3.38Å; A78-A81 PolarHBondContact O-N 3.04Å; N79-A81 VanDerWaalsContact C-N 3.3Å; N79-A81 PolarHBondContact O-N 2.81Å; A81-Q88 WeakPolarHBondContact O-CA 3.4Å; A81-L90 HydrophobicContact CB-CB 3.84Å; A81-L94 HydrophobicContact CB-CB 4.14Å |
| 82 | Q | 93.9 | Very high | 95.6 | Very high | 86 Ų | 86 | 63.1 Ų | 63.1 | 40% | 0.402 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -92.4 | -32.8 | -180 | -70.9 | -173.4 | -3.9 | 0 | 0 | 113.8 | A78 N79 T80 | A78-Q82 WeakPolarHBondContact O-CG 3.23Å; A78-Q82 PolarHBondContact O-N 3.35Å; N79-Q82 PolarHBondContact O-N 2.87Å; T80-Q82 PolarHBondContact O-N 3.43Å |
| 83 | E | 93 | Very high | 95.6 | Very high | 139 Ų | 139 | 66 Ų | 66 | 65% | 0.65 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -98.9 | -18.7 | -169.2 | -67.8 | 163.4 | -156.2 | 0 | 0 | 112.7 | N79 K96 | N79-E83 WeakPolarHBondContact O-CB 3.49Å; N79-E83 WeakPolarHBondContact O-CG 3.35Å; N79-E83 PolarHBondContact O-N 2.81Å; E83-K96 IonicContact OE1-NZ 3.32Å; E83-K96 PolarHBondContact OE1-NZ 3.1Å |
| 84 | S | 94.6 | Very high | 95.5 | Very high | 11 Ų | 11 | 65.4 Ų | 65.4 | 8% | 0.077 | 33% | 0.333 | C | S | . | . | trans | -102.6 | 121.2 | 178.9 | -176.5 | 0 | 0 | 0 | 0 | 111.5 | T80 T86 F87 Q88 | T80-S84 VanDerWaalsContact O-CB 3.23Å; T80-S84 WeakPolarHBondContact O-CB 3.29Å; T80-S84 PolarHBondContact O-N 3.4Å; T80-S84 VanDerWaalsContact O-N 3.09Å; S84-T86 PolarHBondContact O-N 3.45Å; S84-F87 CarbonylContact O-C 3.51Å; S84-F87 PolarHBondContact O-N 3.33Å; S84-F87 WeakPolarHBondContact OG-CD2 3.41Å; S84-Q88 PolarHBondContact O-N 2.91Å | ||
| 85 | E | 95.2 | Very high | 95.5 | Very high | 170 Ų | 170 | 64.6 Ų | 64.6 | 79% | 0.794 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | -53.6 | -39.4 | 174.5 | -173.7 | -179.8 | -173.1 | 0 | 0 | 112 | F87 Q88 | E85-F87 VanDerWaalsContact C-N 3.26Å; E85-F87 PolarHBondContact O-N 3.02Å; E85-Q88 WeakPolarHBondContact O-CB 3.39Å; E85-Q88 PolarHBondContact O-N 3.12Å |
| 86 | T | 95.7 | Very high | 95.3 | Very high | 108 Ų | 108 | 66 Ų | 66 | 66% | 0.663 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -64 | -29.7 | 178.9 | -51.6 | 0 | 0 | 0 | 0 | 113.1 | S84 | S84-T86 PolarHBondContact O-N 3.45Š|
| 87 | F | 96.9 | Very high | 95.1 | Very high | 5 Ų | 5 | 73.9 Ų | 73.9 | 2% | 0.022 | 37% | 0.37 | C | S | . | . | G | 310 helix | trans | -106.8 | 4.9 | -178 | -60.2 | -65.8 | 0 | 0 | 0 | 113.3 | F52 L56 Y59 T80 S84 E85 F89 L90 | F52-F87 HydrophobicContact CE2-CD1 4.11Å; F52-F87 AromaticContact CE2-CE1 3.98Å; F52-F87 HydrophobicContact CE2-CE1 3.98Å; L56-F87 HydrophobicContact CB-CE1 4.16Å; L56-F87 HydrophobicContact CD1-CD1 3.82Å; L56-F87 HydrophobicContact CD1-CE1 3.98Å; L56-F87 HydrophobicContact CD1-CG 4.14Å; L56-F87 HydrophobicContact CD1-CZ 4.43Å; Y59-F87 HydrophobicContact CD1-CD2 4.28Å; Y59-F87 AromaticContact CD1-CE2 3.78Å; Y59-F87 HydrophobicContact CD1-CE2 3.78Å; Y59-F87 HydrophobicContact CD2-CE2 4.07Å; Y59-F87 HydrophobicContact CE1-CE2 4.27Å; Y59-F87 AromaticContact CG-CE2 3.66Å; Y59-F87 HydrophobicContact CG-CE2 3.66Å; Y59-F87 HydrophobicContact CG-CZ 4.37Å; T80-F87 HydrophobicContact CG2-CB 4.32Å; T80-F87 HydrophobicContact CG2-CD2 3.42Å; T80-F87 VanDerWaalsContact CG2-CD2 3.42Å; T80-F87 HydrophobicContact CG2-CE2 3.95Å; T80-F87 HydrophobicContact CG2-CG 4.03Å; S84-F87 CarbonylContact O-C 3.51Å; S84-F87 PolarHBondContact O-N 3.33Å; S84-F87 WeakPolarHBondContact OG-CD2 3.41Å; E85-F87 VanDerWaalsContact C-N 3.26Å; E85-F87 PolarHBondContact O-N 3.02Å; F87-F89 PolarHBondContact O-N 2.99Å; F87-F89 VanDerWaalsContact O-N 3.12Å; F87-L90 VanDerWaalsContact O-CB 3.31Å; F87-L90 WeakPolarHBondContact O-CB 3.22Å; F87-L90 PolarHBondContact O-N 3.34Å |
| 88 | Q | 95.9 | Very high | 94.7 | Very high | 123 Ų | 123 | 76.1 Ų | 76.1 | 58% | 0.575 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | -58.4 | -30.4 | -175.1 | -173 | 178.7 | -18.3 | 0 | 0 | 113.2 | A81 S84 E85 L90 A91 | A81-Q88 WeakPolarHBondContact O-CA 3.4Å; S84-Q88 PolarHBondContact O-N 2.91Å; E85-Q88 WeakPolarHBondContact O-CB 3.39Å; E85-Q88 PolarHBondContact O-N 3.12Å; Q88-L90 PolarHBondContact O-N 2.99Å; Q88-A91 VanDerWaalsContact O-CB 3.28Å; Q88-A91 WeakPolarHBondContact O-CB 3.35Å; Q88-A91 PolarHBondContact O-N 3.22Å |
| 89 | F | 96.6 | Very high | 94.4 | Very high | 134 Ų | 134 | 81.9 Ų | 81.9 | 59% | 0.588 | 41% | 0.411 | S | S | * | . | G | 310 helix | trans | -61.1 | -13.7 | 175.5 | 81 | -85.3 | 0 | 0 | 0 | 113.9 | F52 F87 | F52-F89 HydrophobicContact CE1-CZ 4.39Å; F52-F89 AromaticContact CE2-CE1 3.95Å; F52-F89 HydrophobicContact CE2-CE1 3.95Å; F52-F89 AromaticContact CE2-CZ 3.66Å; F52-F89 HydrophobicContact CE2-CZ 3.66Å; F52-F89 HydrophobicContact CZ-CE1 4.06Å; F52-F89 HydrophobicContact CZ-CE2 4.44Å; F52-F89 AromaticContact CZ-CZ 3.43Å; F52-F89 HydrophobicContact CZ-CZ 3.43Å; F52-F89 VanDerWaalsContact CZ-CZ 3.43Å; F87-F89 PolarHBondContact O-N 2.99Å; F87-F89 VanDerWaalsContact O-N 3.12Å |
| 90 | L | 97.2 | Very high | 94.3 | Very high | 19 Ų | 19 | 83 Ų | 83 | 10% | 0.099 | 43% | 0.427 | C | S | . | . | G | 310 helix | trans | -91.9 | -6.5 | 175 | -62.4 | 178.9 | 0 | 0 | 0 | 113.7 | F52 L56 A81 F87 Q88 D92 I93 L94 | F52-L90 HydrophobicContact CZ-CD1 4.03Å; L56-L90 HydrophobicContact CD1-CD1 4.09Å; L56-L90 HydrophobicContact CD2-CD1 3.87Å; A81-L90 HydrophobicContact CB-CB 3.84Å; F87-L90 VanDerWaalsContact O-CB 3.31Å; F87-L90 WeakPolarHBondContact O-CB 3.22Å; F87-L90 PolarHBondContact O-N 3.34Å; Q88-L90 PolarHBondContact O-N 2.99Å; L90-D92 VanDerWaalsContact C-N 3.26Å; L90-D92 PolarHBondContact O-N 3.29Å; L90-I93 CarbonylContact O-C 3.56Å; L90-I93 WeakPolarHBondContact O-CA 3.37Å; L90-I93 PolarHBondContact O-N 3.15Å; L90-L94 HydrophobicContact CB-CD1 4.28Å; L90-L94 HydrophobicContact CD1-CD1 4.02Å; L90-L94 PolarHBondContact O-N 2.9Å |
| 91 | A | 95 | Very high | 94.1 | Very high | 25 Ų | 25 | 86.2 Ų | 86.2 | 21% | 0.207 | 45% | 0.449 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -40.4 | -171.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q88 I93 L94 | Q88-A91 VanDerWaalsContact O-CB 3.28Å; Q88-A91 WeakPolarHBondContact O-CB 3.35Å; Q88-A91 PolarHBondContact O-N 3.22Å; A91-I93 VanDerWaalsContact C-N 3.33Å; A91-L94 CarbonylContact O-C 3.56Å |
| 92 | D | 95.1 | Very high | 93.9 | Very high | 152 Ų | 152 | 92.4 Ų | 92.4 | 81% | 0.813 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -23 | 178.4 | -60.6 | -30.2 | 0 | 0 | 0 | 112.9 | L90 | L90-D92 VanDerWaalsContact C-N 3.26Å; L90-D92 PolarHBondContact O-N 3.29Å |
| 93 | I | 95.8 | Very high | 93.8 | Very high | 128 Ų | 128 | 94 Ų | 94 | 66% | 0.656 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | -32.5 | -178.9 | -52.8 | -58 | 0 | 0 | 0 | 111.4 | L90 A91 P95 | L90-I93 CarbonylContact O-C 3.56Å; L90-I93 WeakPolarHBondContact O-CA 3.37Å; L90-I93 PolarHBondContact O-N 3.15Å; A91-I93 VanDerWaalsContact C-N 3.33Å; I93-P95 WeakPolarHBondContact O-CD 3.22Å |
| 94 | L | 95.4 | Very high | 93.8 | Very high | 34 Ų | 34 | 92.2 Ų | 92.2 | 18% | 0.178 | 47% | 0.474 | C | S | . | . | S | Bend | trans | -121.2 | 62.4 | -179 | -63.9 | 177.5 | 0 | 0 | 0 | 111.3 | Y74 L77 A78 A81 L90 A91 | Y74-L94 HydrophobicContact CE2-CD2 4.09Å; L77-L94 HydrophobicContact CB-CD1 4.49Å; A78-L94 WeakPolarHBondContact CA-O 3.39Å; A78-L94 WeakPolarHBondContact CB-O 3.44Å; A81-L94 HydrophobicContact CB-CB 4.14Å; L90-L94 HydrophobicContact CB-CD1 4.28Å; L90-L94 HydrophobicContact CD1-CD1 4.02Å; L90-L94 PolarHBondContact O-N 2.9Å; A91-L94 CarbonylContact O-C 3.56Å |
| 95 | P | 93.8 | Very high | 93.8 | Very high | 65 Ų | 65 | 97.5 Ų | 97.5 | 42% | 0.422 | 50% | 0.496 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 150.3 | -177.3 | 29.4 | -36.1 | 0 | 0 | 0 | 112 | Y74 I93 K97 | Y74-P95 WeakPolarHBondContact CE1-O 3.41Å; Y74-P95 PolarHBondContact OH-O 3.16Å; I93-P95 WeakPolarHBondContact O-CD 3.22Å; P95-K97 PolarHBondContact O-N 3.25Å |
| 96 | K | 91.4 | Very high | 93.7 | Very high | 93 Ų | 93 | 93 Ų | 93 | 40% | 0.404 | 48% | 0.475 | S | S | . | . | P | Polyproline II helix | trans | -62.6 | 129.3 | 166.5 | -78.9 | -178.8 | 180 | 146.1 | 0 | 109.3 | A78 N79 E83 | A78-K96 HydrophobicContact CB-CG 4.24Å; N79-K96 WeakPolarHBondContact OD1-CE 3.18Å; E83-K96 IonicContact OE1-NZ 3.32Å; E83-K96 PolarHBondContact OE1-NZ 3.1Å |
| 97 | K | 90.2 | Very high | 93.6 | Very high | 169 Ų | 169 | 91.2 Ų | 91.2 | 74% | 0.735 | 46% | 0.461 | S | S | * | . | P | Polyproline II helix | trans | -78.1 | 132.4 | 179.3 | -64.8 | 179.7 | -178.4 | 179.9 | 0 | 110 | Y74 P95 | Y74-K97 HydrophobicContact CD1-CD 4.17Å; Y74-K97 HydrophobicContact CD1-CG 4.4Å; Y74-K97 HydrophobicContact CE1-CD 4.06Å; Y74-K97 HydrophobicContact CE1-CG 3.89Å; P95-K97 PolarHBondContact O-N 3.25Å |
| 98 | I | 88.8 | Confident | 93.4 | Very high | 85 Ų | 85 | 97.9 Ų | 97.9 | 44% | 0.436 | 49% | 0.49 | S | S | . | . | trans | -117.9 | 139 | 167.8 | -171.6 | 166.2 | 0 | 0 | 0 | 109.3 | K102 Y103 M106 | I98-K102 HydrophobicContact CD1-CD 4.36Å; I98-K102 HydrophobicContact CD1-CG 4.29Å; I98-K102 HydrophobicContact CG1-CB 4.17Å; I98-K102 HydrophobicContact CG1-CD 4.21Å; I98-K102 HydrophobicContact CG1-CG 4.31Å; I98-Y103 HydrophobicContact CD1-CD2 4.29Å; I98-M106 HydrophobicContact CD1-SD 3.72Å | ||
| 99 | L | 91 | Very high | 93.3 | Very high | 122 Ų | 122 | 95.7 Ų | 95.7 | 64% | 0.639 | 48% | 0.48 | S | S | * | . | trans | -71.4 | 135.1 | 174.4 | -172.2 | 62.6 | 0 | 0 | 0 | 109.2 | S101 K102 Y103 | L99-S101 WeakPolarHBondContact CD2-OG 3.48Å; L99-S101 VanDerWaalsContact CG-OG 3.32Å; L99-S101 WeakPolarHBondContact CG-OG 3.39Å; L99-S101 PolarHBondContact O-N 2.87Å; L99-K102 HydrophobicContact CB-CB 4.24Å; L99-K102 WeakPolarHBondContact O-CA 3.38Å; L99-K102 WeakPolarHBondContact O-CB 3.43Å; L99-K102 PolarHBondContact O-N 2.89Å; L99-Y103 PolarHBondContact O-N 3.01Å | ||
| 100 | A | 91.6 | Very high | 92.9 | Very high | 68 Ų | 68 | 93.9 Ų | 93.9 | 56% | 0.562 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -54.7 | -40.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | K102 Y103 L104 | A100-K102 VanDerWaalsContact C-N 3.32Å; A100-K102 PolarHBondContact O-N 2.68Å; A100-Y103 PolarHBondContact O-N 2.96Å; A100-L104 WeakPolarHBondContact O-CB 3.37Å; A100-L104 VanDerWaalsContact O-CG 3.26Å; A100-L104 WeakPolarHBondContact O-CG 3.37Å; A100-L104 PolarHBondContact O-N 2.87Å |
| 101 | S | 92.4 | Very high | 92.5 | Very high | 74 Ų | 74 | 99 Ų | 99 | 52% | 0.517 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.2 | -36.6 | 175.7 | 57.3 | 0 | 0 | 0 | 0 | 113.1 | L99 K105 | L99-S101 WeakPolarHBondContact CD2-OG 3.48Å; L99-S101 VanDerWaalsContact CG-OG 3.32Å; L99-S101 WeakPolarHBondContact CG-OG 3.39Å; L99-S101 PolarHBondContact O-N 2.87Å; S101-K105 WeakPolarHBondContact O-CB 3.4Å; S101-K105 PolarHBondContact O-N 2.86Å |
| 102 | K | 93.3 | Very high | 92.1 | Very high | 131 Ų | 131 | 105.9 Ų | 105.9 | 57% | 0.57 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -67.1 | -45.7 | 174.7 | -175.1 | 179 | 177.7 | -176.1 | 0 | 110.4 | I98 L99 A100 K105 M106 | I98-K102 HydrophobicContact CD1-CD 4.36Å; I98-K102 HydrophobicContact CD1-CG 4.29Å; I98-K102 HydrophobicContact CG1-CB 4.17Å; I98-K102 HydrophobicContact CG1-CD 4.21Å; I98-K102 HydrophobicContact CG1-CG 4.31Å; L99-K102 HydrophobicContact CB-CB 4.24Å; L99-K102 WeakPolarHBondContact O-CA 3.38Å; L99-K102 WeakPolarHBondContact O-CB 3.43Å; L99-K102 PolarHBondContact O-N 2.89Å; A100-K102 VanDerWaalsContact C-N 3.32Å; A100-K102 PolarHBondContact O-N 2.68Å; K102-K105 WeakPolarHBondContact O-CB 3.44Å; K102-K105 PolarHBondContact O-N 2.81Å; K102-K105 VanDerWaalsContact O-N 3.17Å; K102-M106 HydrophobicContact CG-SD 4.38Å; K102-M106 WeakPolarHBondContact O-CG 3.44Å; K102-M106 PolarHBondContact O-N 2.91Å |
| 103 | Y | 90.9 | Very high | 91.6 | Very high | 119 Ų | 119 | 104.3 Ų | 104.3 | 47% | 0.467 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61 | -45.9 | 177.5 | -177.5 | -109 | 0 | 0 | 0 | 112.1 | I98 L99 A100 K105 M106 L107 | I98-Y103 HydrophobicContact CD1-CD2 4.29Å; L99-Y103 PolarHBondContact O-N 3.01Å; A100-Y103 PolarHBondContact O-N 2.96Å; Y103-K105 PolarHBondContact O-N 2.66Å; Y103-M106 PolarHBondContact O-N 2.72Å; Y103-L107 HydrophobicContact CD1-CD1 3.98Å; Y103-L107 HydrophobicContact CE1-CD1 3.46Å; Y103-L107 VanDerWaalsContact CE1-CD1 3.46Å; Y103-L107 HydrophobicContact CE1-CG 4.14Å; Y103-L107 HydrophobicContact CE2-CG 4.46Å; Y103-L107 PolarHBondContact O-N 2.69Å |
| 104 | L | 93.8 | Very high | 90.9 | Very high | 101 Ų | 101 | 103.7 Ų | 103.7 | 53% | 0.529 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.3 | -29.8 | 175.4 | -70.7 | 171.9 | 0 | 0 | 0 | 113.2 | A100 K108 | A100-L104 WeakPolarHBondContact O-CB 3.37Å; A100-L104 VanDerWaalsContact O-CG 3.26Å; A100-L104 WeakPolarHBondContact O-CG 3.37Å; A100-L104 PolarHBondContact O-N 2.87Å; L104-K108 VanDerWaalsContact O-CG 3.29Å; L104-K108 WeakPolarHBondContact O-CG 3.2Å; L104-K108 PolarHBondContact O-N 3.37Å |
| 105 | K | 94.7 | Very high | 90.3 | Very high | 123 Ų | 123 | 106 Ų | 106 | 54% | 0.535 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -71.1 | -46.1 | 174 | -167.7 | 176.6 | -175.9 | -87.1 | 0 | 110.7 | S101 K102 Y103 L107 K108 E109 | S101-K105 WeakPolarHBondContact O-CB 3.4Å; S101-K105 PolarHBondContact O-N 2.86Å; K102-K105 WeakPolarHBondContact O-CB 3.44Å; K102-K105 PolarHBondContact O-N 2.81Å; K102-K105 VanDerWaalsContact O-N 3.17Å; Y103-K105 PolarHBondContact O-N 2.66Å; K105-L107 PolarHBondContact O-N 3.34Å; K105-K108 WeakPolarHBondContact O-CB 3.39Å; K105-K108 PolarHBondContact O-N 3.15Å; K105-K108 VanDerWaalsContact O-N 3.09Å; K105-E109 WeakPolarHBondContact CE-OE1 3.48Å; K105-E109 IonicContact NZ-OE1 2.6Å; K105-E109 PolarHBondContact NZ-OE1 3.45Å; K105-E109 IonicContact NZ-OE2 3.79Å; K105-E109 WeakPolarHBondContact O-CG 3.42Å; K105-E109 PolarHBondContact O-N 3.26Å |
| 106 | M | 92.7 | Very high | 89.5 | Confident | 74 Ų | 74 | 109 Ų | 109 | 37% | 0.365 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -56.7 | -47.7 | 176.4 | -69.3 | 173.6 | 61.8 | 0 | 0 | 111.5 | I98 K102 Y103 K108 E109 E110 | I98-M106 HydrophobicContact CD1-SD 3.72Å; K102-M106 HydrophobicContact CG-SD 4.38Å; K102-M106 WeakPolarHBondContact O-CG 3.44Å; K102-M106 PolarHBondContact O-N 2.91Å; Y103-M106 PolarHBondContact O-N 2.72Å; M106-K108 VanDerWaalsContact C-N 3.26Å; M106-K108 PolarHBondContact O-N 3.5Å; M106-E109 PolarHBondContact O-N 2.85Å; M106-E109 VanDerWaalsContact O-N 3.09Å; M106-E110 PolarHBondContact O-N 3.48Å |
| 107 | L | 92.7 | Very high | 88.7 | Confident | 71 Ų | 71 | 111 Ų | 111 | 37% | 0.372 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.7 | -31.6 | 176.9 | -69.7 | 178.1 | 0 | 0 | 0 | 113.8 | Y103 K105 K111 | Y103-L107 HydrophobicContact CD1-CD1 3.98Å; Y103-L107 HydrophobicContact CE1-CD1 3.46Å; Y103-L107 VanDerWaalsContact CE1-CD1 3.46Å; Y103-L107 HydrophobicContact CE1-CG 4.14Å; Y103-L107 HydrophobicContact CE2-CG 4.46Å; Y103-L107 PolarHBondContact O-N 2.69Å; K105-L107 PolarHBondContact O-N 3.34Å; L107-K111 WeakPolarHBondContact O-CB 3.4Å; L107-K111 PolarHBondContact O-N 3Å |
| 108 | K | 93.4 | Very high | 87.8 | Confident | 145 Ų | 145 | 107.4 Ų | 107.4 | 63% | 0.63 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -76.6 | -30 | 176.6 | -76.6 | 176.4 | -178.7 | -175 | 0 | 112.3 | L104 K105 M106 R112 | L104-K108 VanDerWaalsContact O-CG 3.29Å; L104-K108 WeakPolarHBondContact O-CG 3.2Å; L104-K108 PolarHBondContact O-N 3.37Å; K105-K108 WeakPolarHBondContact O-CB 3.39Å; K105-K108 PolarHBondContact O-N 3.15Å; K105-K108 VanDerWaalsContact O-N 3.09Å; M106-K108 VanDerWaalsContact C-N 3.26Å; M106-K108 PolarHBondContact O-N 3.5Å; K108-R112 WeakPolarHBondContact O-CG 3.4Å; K108-R112 PolarHBondContact O-N 3.07Å |
| 109 | E | 92.8 | Very high | 86.9 | Confident | 77 Ų | 77 | 108.9 Ų | 108.9 | 36% | 0.36 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -75.5 | -48.8 | 177.1 | -73 | 171.5 | 163.9 | 0 | 0 | 109.8 | K105 M106 K111 R112 E113 | K105-E109 WeakPolarHBondContact CE-OE1 3.48Å; K105-E109 IonicContact NZ-OE1 2.6Å; K105-E109 PolarHBondContact NZ-OE1 3.45Å; K105-E109 IonicContact NZ-OE2 3.79Å; K105-E109 WeakPolarHBondContact O-CG 3.42Å; K105-E109 PolarHBondContact O-N 3.26Å; M106-E109 PolarHBondContact O-N 2.85Å; M106-E109 VanDerWaalsContact O-N 3.09Å; E109-K111 VanDerWaalsContact C-N 3.3Å; E109-K111 PolarHBondContact O-N 3.16Å; E109-R112 WeakPolarHBondContact O-CB 3.41Å; E109-R112 PolarHBondContact O-N 3.26Å; E109-E113 WeakPolarHBondContact O-CG 3.18Å; E109-E113 PolarHBondContact O-N 3.38Å |
| 110 | E | 88.5 | Confident | 85.6 | Confident | 96 Ų | 96 | 108 Ų | 108 | 45% | 0.449 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -53 | -46.4 | 173.2 | -76.2 | 171.4 | 172.1 | 0 | 0 | 111.6 | M106 R112 E113 E114 | M106-E110 PolarHBondContact O-N 3.48Å; E110-R112 VanDerWaalsContact C-N 3.31Å; E110-R112 PolarHBondContact O-N 3.08Å; E110-E113 PolarHBondContact O-N 3.41Å; E110-E114 WeakPolarHBondContact O-CG 3.45Å; E110-E114 PolarHBondContact O-N 3.43Å |
| 111 | K | 88.7 | Confident | 84.1 | Confident | 127 Ų | 127 | 110.2 Ų | 110.2 | 55% | 0.552 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.7 | -35.1 | 177.4 | -175 | 171.3 | -179.3 | 176.1 | 0 | 113.6 | L107 E109 D115 | L107-K111 WeakPolarHBondContact O-CB 3.4Å; L107-K111 PolarHBondContact O-N 3Å; E109-K111 VanDerWaalsContact C-N 3.3Å; E109-K111 PolarHBondContact O-N 3.16Å; K111-D115 WeakPolarHBondContact O-CB 3.31Å; K111-D115 PolarHBondContact O-N 3.5Å |
| 112 | R | 87.3 | Confident | 82.3 | Confident | 169 Ų | 169 | 112.8 Ų | 112.8 | 64% | 0.638 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -71.9 | -40 | 177.4 | -77.6 | 174.9 | -178.8 | -167.4 | -3.6 | 111.4 | K108 E109 E110 E114 D115 E116 | K108-R112 WeakPolarHBondContact O-CG 3.4Å; K108-R112 PolarHBondContact O-N 3.07Å; E109-R112 WeakPolarHBondContact O-CB 3.41Å; E109-R112 PolarHBondContact O-N 3.26Å; E110-R112 VanDerWaalsContact C-N 3.31Å; E110-R112 PolarHBondContact O-N 3.08Å; R112-E114 VanDerWaalsContact C-N 3.32Å; R112-D115 PolarHBondContact O-N 3.44Å; R112-E116 WeakPolarHBondContact O-CB 3.5Å; R112-E116 WeakPolarHBondContact O-CG 3.49Å; R112-E116 PolarHBondContact O-N 3.12Å |
| 113 | E | 85 | Confident | 80.5 | Confident | 120 Ų | 120 | 114.2 Ų | 114.2 | 56% | 0.561 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -61.9 | -42.8 | 175.1 | -68.8 | 172.2 | -174.3 | 0 | 0 | 110.2 | E109 E110 E116 E117 | E109-E113 WeakPolarHBondContact O-CG 3.18Å; E109-E113 PolarHBondContact O-N 3.38Å; E110-E113 PolarHBondContact O-N 3.41Å; E113-E116 PolarHBondContact O-N 3.15Å; E113-E117 WeakPolarHBondContact O-CG 3.39Å; E113-E117 PolarHBondContact O-N 3.05Å |
| 114 | E | 80.2 | Confident | 78.6 | Confident | 115 Ų | 115 | 112.7 Ų | 112.7 | 54% | 0.537 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -61.1 | -45 | 172.6 | -71.5 | 173.4 | -177.2 | 0 | 0 | 112.5 | E110 R112 E117 N118 | E110-E114 WeakPolarHBondContact O-CG 3.45Å; E110-E114 PolarHBondContact O-N 3.43Å; R112-E114 VanDerWaalsContact C-N 3.32Å; E114-E117 PolarHBondContact O-N 2.7Å; E114-N118 PolarHBondContact O-N 2.89Å; E114-N118 VanDerWaalsContact O-N 3.09Å; E114-N118 PolarHBondContact O-ND2 2.81Å |
| 115 | D | 82.5 | Confident | 76.7 | Confident | 83 Ų | 83 | 115.1 Ų | 115.1 | 44% | 0.444 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63.8 | -40.4 | 178.1 | -68.9 | -26.5 | 0 | 0 | 0 | 111 | K111 R112 N118 D119 | K111-D115 WeakPolarHBondContact O-CB 3.31Å; K111-D115 PolarHBondContact O-N 3.5Å; R112-D115 PolarHBondContact O-N 3.44Å; D115-N118 PolarHBondContact O-N 2.83Å; D115-D119 PolarHBondContact O-N 3.36Å; D115-D119 VanDerWaalsContact O-N 3.14Å |
| 116 | E | 78.4 | Confident | 74.8 | Confident | 126 Ų | 126 | 117.3 Ų | 117.3 | 59% | 0.589 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -71.1 | -32.8 | 178.1 | -73.2 | 176.6 | -163.5 | 0 | 0 | 113.5 | R112 E113 N120 | R112-E116 WeakPolarHBondContact O-CB 3.5Å; R112-E116 WeakPolarHBondContact O-CG 3.49Å; R112-E116 PolarHBondContact O-N 3.12Å; E113-E116 PolarHBondContact O-N 3.15Å; E116-N120 PolarHBondContact O-N 3.03Å; E116-N120 PolarHBondContact O-ND2 3.03Å |
| 117 | E | 74.4 | Confident | 72.9 | Confident | 136 Ų | 136 | 121.5 Ų | 121.5 | 64% | 0.636 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -69.2 | -42.8 | 172.5 | -77.5 | -177.7 | 175 | 0 | 0 | 111.5 | E113 E114 D119 N120 D121 | E113-E117 WeakPolarHBondContact O-CG 3.39Å; E113-E117 PolarHBondContact O-N 3.05Å; E114-E117 PolarHBondContact O-N 2.7Å; E117-D119 PolarHBondContact O-N 3.34Å; E117-N120 PolarHBondContact O-N 3.42Å; E117-D121 PolarHBondContact O-N 3.22Å; E117-D121 VanDerWaalsContact O-N 3.07Å |
| 118 | N | 70.9 | Confident | 71.1 | Confident | 94 Ų | 94 | 127.5 Ų | 127.5 | 50% | 0.503 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -66.5 | -33.1 | 178.7 | -74.9 | -60.4 | 0 | 0 | 0 | 113.5 | E114 D115 N122 | E114-N118 PolarHBondContact O-N 2.89Å; E114-N118 VanDerWaalsContact O-N 3.09Å; E114-N118 PolarHBondContact O-ND2 2.81Å; D115-N118 PolarHBondContact O-N 2.83Å; N118-N122 PolarHBondContact O-N 3.27Å; N118-N122 PolarHBondContact O-ND2 3.35Å; N118-N122 VanDerWaalsContact O-ND2 3.13Å |
| 119 | D | 70 | Confident | 69.2 | Low | 115 Ų | 115 | 125 Ų | 125 | 62% | 0.615 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -72.2 | -35.6 | 175.6 | -80.5 | -18.5 | 0 | 0 | 0 | 111.6 | D115 E117 E123 | D115-D119 PolarHBondContact O-N 3.36Å; D115-D119 VanDerWaalsContact O-N 3.14Å; E117-D119 PolarHBondContact O-N 3.34Å; D119-E123 PolarHBondContact O-N 2.98Å |
| 120 | N | 63.6 | Low | 67.1 | Low | 105 Ų | 105 | 130.8 Ų | 130.8 | 56% | 0.561 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -69.4 | -38.3 | 175.6 | -85.4 | -59.7 | 0 | 0 | 0 | 113 | E116 E117 N122 E123 | E116-N120 PolarHBondContact O-N 3.03Å; E116-N120 PolarHBondContact O-ND2 3.03Å; E117-N120 PolarHBondContact O-N 3.42Å; N120-N122 VanDerWaalsContact C-N 3.28Å; N120-N122 PolarHBondContact O-N 3.48Å; N120-E123 PolarHBondContact O-N 2.86Å |
| 121 | D | 59.2 | Low | 65 | Low | 113 Ų | 113 | 136 Ų | 136 | 60% | 0.604 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -65.3 | -33.5 | 178 | -78 | -18.8 | 0 | 0 | 0 | 111.7 | E117 S124 | E117-D121 PolarHBondContact O-N 3.22Å; E117-D121 VanDerWaalsContact O-N 3.07Å; D121-S124 PolarHBondContact O-N 2.88Å; D121-S124 PolarHBondContact O-OG 3.35Å |
| 122 | N | 55.8 | Low | 63.8 | Low | 128 Ų | 128 | 136.5 Ų | 136.5 | 68% | 0.684 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -74.7 | -20.2 | 176 | -82 | -49.9 | 0 | 0 | 0 | 114.6 | N118 N120 | N118-N122 PolarHBondContact O-N 3.27Å; N118-N122 PolarHBondContact O-ND2 3.35Å; N118-N122 VanDerWaalsContact O-ND2 3.13Å; N120-N122 VanDerWaalsContact C-N 3.28Å; N120-N122 PolarHBondContact O-N 3.48Å |
| 123 | E | 54.6 | Low | 62.6 | Low | 161 Ų | 161 | 134.7 Ų | 134.7 | 75% | 0.752 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -82.2 | -14.2 | 174.6 | -84.2 | -167.6 | 165 | 0 | 0 | 113.1 | D119 N120 D125 | D119-E123 PolarHBondContact O-N 2.98Å; N120-E123 PolarHBondContact O-N 2.86Å; E123-D125 PolarHBondContact O-N 3.43Å |
| 124 | S | 50.7 | Low | 61.3 | Low | 88 Ų | 88 | 135.6 Ų | 135.6 | 62% | 0.615 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.2 | -8.7 | -176 | 71 | 0 | 0 | 0 | 0 | 115.8 | D121 | D121-S124 PolarHBondContact O-N 2.88Å; D121-S124 PolarHBondContact O-OG 3.35Å |
| 125 | D | 55.3 | Low | 60.2 | Low | 151 Ų | 151 | 136.8 Ų | 136.8 | 81% | 0.807 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.5 | 9.3 | -174.2 | -104.8 | -5.2 | 0 | 0 | 0 | 114.6 | E123 | E123-D125 PolarHBondContact O-N 3.43Š|
| 126 | H | 54.4 | Low | 58.8 | Low | 169 Ų | 169 | 140.1 Ų | 140.1 | 78% | 0.782 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -113.4 | 5.1 | -168.3 | -128.6 | -52.4 | 0 | 0 | 0 | 118.4 | ||
| 127 | D | 52.6 | Low | 57.5 | Low | 163 Ų | 163 | 141.1 Ų | 141.1 | 87% | 0.872 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -112.3 | 19.1 | -174.2 | -83.6 | -19.9 | 0 | 0 | 0 | 116.5 | ||
| 128 | E | 54.4 | Low | 56.3 | Low | 197 Ų | 197 | 141.4 Ų | 141.4 | 92% | 0.921 | 77% | 0.774 | S | S | * | * | trans | -119.6 | 67.1 | 169.1 | -75.4 | -158.5 | 179.5 | 0 | 0 | 113.1 | ||||
| 129 | A | 53 | Low | 55.2 | Low | 92 Ų | 92 | 145.1 Ų | 145.1 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | trans | -159.8 | 75.7 | 160.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 130 | E | 49.1 | Very low | 53.9 | Low | 199 Ų | 199 | 147.6 Ų | 147.6 | 93% | 0.93 | 81% | 0.81 | S | S | * | * | trans | -169.5 | 98.2 | 144 | -107.9 | 173.4 | -159.6 | 0 | 0 | 111.1 | ||||
| 131 | S | 44.7 | Very low | 53.1 | Low | 205 Ų | 205 | 151.5 Ų | 151.5 | 100% | 1.434 | 83% | 0.833 | S | S | * | * | trans | -155.8 | 0 | 153.5 | -82.2 | 0 | 0 | 0 | 0 | 110.3 |
Retrieved 131 of 131 residues in 56.8 ms
(Link to these results)