| 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 | 34.3 | Very low | 31.8 | Very low | 239 Ų | 239 | 141.5 Ų | 141.5 | 100% | 1.177 | 85% | 0.847 | S | S | * | * | 0 | 72.9 | 0 | -60.4 | -169.9 | -144 | 0 | 0 | 106.2 | |||||
| 2 | E | 34 | Very low | 33.2 | Very low | 200 Ų | 200 | 139.2 Ų | 139.2 | 94% | 0.935 | 84% | 0.838 | S | S | * | * | 53.4 | 112.6 | 90.3 | -83.4 | -170.9 | 165.8 | 0 | 0 | 113.4 | |||||
| 3 | G | 26.9 | Very low | 35.2 | Very low | 76 Ų | 76 | 138.5 Ų | 138.5 | 78% | 0.784 | 82% | 0.82 | S | S | * | * | trans | 170.5 | 40.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | S5 | G3-S5 PolarHBondContact O-N 2.84Š| ||
| 4 | T | 31.4 | Very low | 38.5 | Very low | 136 Ų | 136 | 132.5 Ų | 132.5 | 83% | 0.834 | 79% | 0.789 | S | S | * | * | trans | -73.4 | 101.1 | 170.4 | 29.4 | 0 | 0 | 0 | 0 | 108.8 | K6 | T4-K6 PolarHBondContact O-N 2.83Š| ||
| 5 | S | 28.2 | Very low | 42.2 | Very low | 115 Ų | 115 | 125 Ų | 125 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | trans | -65.2 | 101.7 | 165 | 61 | 0 | 0 | 0 | 0 | 108.3 | G3 S7 | G3-S5 PolarHBondContact O-N 2.84Å; S5-S7 PolarHBondContact O-N 2.77Å | ||
| 6 | K | 31.5 | Very low | 45.6 | Very low | 199 Ų | 199 | 117.2 Ų | 117.2 | 87% | 0.865 | 70% | 0.699 | S | S | * | * | trans | -57.1 | 108.5 | 165 | -78.3 | 177.3 | 174.6 | 176.2 | 0 | 107.6 | T4 E8 | T4-K6 PolarHBondContact O-N 2.83Å; K6-E8 PolarHBondContact O-N 3.3Å | ||
| 7 | S | 29.8 | Very low | 48.6 | Very low | 110 Ų | 110 | 110.4 Ų | 110.4 | 77% | 0.769 | 66% | 0.658 | S | S | * | * | trans | -60.7 | 116.7 | 160.9 | 57.8 | 0 | 0 | 0 | 0 | 107.1 | S5 S9 | S5-S7 PolarHBondContact O-N 2.77Å; S7-S9 PolarHBondContact O-N 3.28Å | ||
| 8 | E | 29 | Very low | 51.3 | Low | 192 Ų | 192 | 105.6 Ų | 105.6 | 90% | 0.897 | 63% | 0.633 | S | S | * | * | trans | -51.3 | 113 | 170.9 | -70.7 | 177.1 | 149.6 | 0 | 0 | 108.9 | K6 A10 | K6-E8 PolarHBondContact O-N 3.3Å; E8-A10 PolarHBondContact O-N 3.47Å | ||
| 9 | S | 33.2 | Very low | 53.6 | Low | 112 Ų | 112 | 105.7 Ų | 105.7 | 78% | 0.783 | 63% | 0.626 | S | S | * | * | trans | -67.1 | 102.3 | 170.7 | 57.4 | 0 | 0 | 0 | 0 | 107.5 | S7 A11 | S7-S9 PolarHBondContact O-N 3.28Å; S9-A11 PolarHBondContact O-N 3.27Å | ||
| 10 | A | 34.3 | Very low | 55.8 | Low | 93 Ų | 93 | 101.5 Ų | 101.5 | 77% | 0.769 | 60% | 0.602 | S | S | * | * | trans | -49.4 | 127.2 | 167.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | E8 | E8-A10 PolarHBondContact O-N 3.47Š| ||
| 11 | A | 37.3 | Very low | 57.7 | Low | 84 Ų | 84 | 99.1 Ų | 99.1 | 69% | 0.694 | 59% | 0.589 | S | S | * | * | trans | -50.6 | 138.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | S9 Q13 | S9-A11 PolarHBondContact O-N 3.27Å; A11-Q13 PolarHBondContact O-N 2.91Å | ||
| 12 | P | 48.6 | Very low | 60.7 | Low | 114 Ų | 114 | 87.7 Ų | 87.7 | 74% | 0.74 | 53% | 0.533 | S | S | * | . | trans | -58.4 | 114 | -177.3 | 21.7 | -30.2 | 0 | 0 | 0 | 109.1 | S14 | P12-S14 PolarHBondContact O-N 3.25Å; P12-S14 VanDerWaalsContact O-N 3.08Å | ||
| 13 | Q | 58.9 | Low | 63.6 | Low | 130 Ų | 130 | 81 Ų | 81 | 61% | 0.607 | 50% | 0.503 | S | S | * | . | trans | -54.4 | 119.1 | 174.4 | -82.2 | -179.5 | -17.8 | 0 | 0 | 108.4 | A11 S15 | A11-Q13 PolarHBondContact O-N 2.91Å; Q13-S15 PolarHBondContact O-N 2.87Å | ||
| 14 | S | 81.2 | Confident | 66.9 | Low | 55 Ų | 55 | 82.5 Ų | 82.5 | 39% | 0.385 | 49% | 0.489 | S | S | . | . | trans | -60.6 | 128.5 | 175.7 | -169.7 | 0 | 0 | 0 | 0 | 108.8 | P12 H60 | P12-S14 PolarHBondContact O-N 3.25Å; P12-S14 VanDerWaalsContact O-N 3.08Å; S14-H60 PolarHBondContact O-CE1 2.96Å | ||
| 15 | S | 93.8 | Very high | 70.1 | Confident | 20 Ų | 20 | 76.1 Ų | 76.1 | 14% | 0.14 | 45% | 0.45 | C | S | . | . | trans | -122.6 | 150.3 | 178.5 | 67.4 | 0 | 0 | 0 | 0 | 110.7 | Q13 A17 A18 Q19 D68 | Q13-S15 PolarHBondContact O-N 2.87Å; S15-A17 PolarHBondContact O-N 3.31Å; S15-A18 WeakPolarHBondContact O-CB 3.45Å; S15-A18 PolarHBondContact O-N 2.92Å; S15-A18 PolarHBondContact OG-N 3.21Å; S15-Q19 PolarHBondContact O-N 2.77Å; S15-D68 WeakPolarHBondContact CA-OD2 3.5Å | ||
| 16 | V | 96.9 | Very high | 73.4 | Confident | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -57.3 | -40.5 | 176.7 | 174.3 | 0 | 0 | 0 | 0 | 110.7 | A18 Q19 V20 W52 F55 H56 L59 D68 | V16-A18 PolarHBondContact O-N 2.91Å; V16-Q19 PolarHBondContact O-N 3.41Å; V16-V20 HydrophobicContact CG1-CG2 3.63Å; V16-V20 WeakPolarHBondContact O-CG2 3Å; V16-V20 PolarHBondContact O-N 2.82Å; V16-W52 HydrophobicContact CB-CD2 4.38Å; V16-W52 HydrophobicContact CB-CZ2 3.82Å; V16-W52 HydrophobicContact CG1-CD2 3.45Å; V16-W52 VanDerWaalsContact CG1-CD2 3.45Å; V16-W52 HydrophobicContact CG1-CE3 3.91Å; V16-W52 HydrophobicContact CG1-CG 3.9Å; V16-W52 HydrophobicContact CG1-CH2 4.06Å; V16-W52 HydrophobicContact CG1-CZ2 3.62Å; V16-W52 HydrophobicContact CG1-CZ3 4.18Å; V16-F55 HydrophobicContact CB-CD1 4.14Å; V16-F55 HydrophobicContact CB-CE1 4.48Å; V16-F55 HydrophobicContact CG1-CD1 3.68Å; V16-F55 HydrophobicContact CG1-CE1 4.28Å; V16-F55 HydrophobicContact CG2-CD1 3.78Å; V16-F55 HydrophobicContact CG2-CE1 4.29Å; V16-H56 HydrophobicContact CG2-CB 3.71Å; V16-L59 HydrophobicContact CG2-CD2 4.06Å; V16-D68 WeakPolarHBondContact CG2-OD2 3.37Å; V16-D68 PolarHBondContact N-OD2 2.84Å |
| 17 | A | 97.3 | Very high | 76.5 | Confident | 1 Ų | 1 | 63.6 Ų | 63.6 | 1% | 0.008 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -61.5 | -27.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | S15 Q19 W52 P72 I151 R152 | S15-A17 PolarHBondContact O-N 3.31Å; A17-Q19 VanDerWaalsContact C-N 3.32Å; A17-W52 HydrophobicContact CB-CH2 3.9Å; A17-W52 HydrophobicContact CB-CZ2 4.23Å; A17-P72 HydrophobicContact CB-CB 3.6Å; A17-P72 HydrophobicContact CB-CG 3.78Å; A17-I151 HydrophobicContact CB-CB 4.44Å; A17-I151 HydrophobicContact CB-CG2 4.23Å; A17-I151 PolarHBondContact O-N 2.77Å; A17-R152 HydrophobicContact CB-CB 4.06Å; A17-R152 WeakPolarHBondContact O-CB 3.44Å; A17-R152 PolarHBondContact O-N 3.13Å |
| 18 | A | 96.6 | Very high | 79.7 | Confident | 25 Ų | 25 | 59.4 Ų | 59.4 | 21% | 0.207 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -78.3 | -15.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | S15 V16 T150 R152 | S15-A18 WeakPolarHBondContact O-CB 3.45Å; S15-A18 PolarHBondContact O-N 2.92Å; S15-A18 PolarHBondContact OG-N 3.21Å; V16-A18 PolarHBondContact O-N 2.91Å; A18-T150 VanDerWaalsContact O-CG2 3.28Å; A18-T150 WeakPolarHBondContact O-CG2 3.5Å; A18-R152 HydrophobicContact CB-CB 4.31Å |
| 19 | Q | 95.9 | Very high | 83 | Confident | 107 Ų | 107 | 50.4 Ų | 50.4 | 50% | 0.5 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -105 | -20.9 | -179.1 | -58.1 | -62.1 | -18.2 | 0 | 0 | 112.7 | S15 V16 A17 P21 F55 | S15-Q19 PolarHBondContact O-N 2.77Å; V16-Q19 PolarHBondContact O-N 3.41Å; A17-Q19 VanDerWaalsContact C-N 3.32Å; Q19-P21 WeakPolarHBondContact O-CD 3.33Å; Q19-F55 HydrophobicContact CB-CE1 3.63Å; Q19-F55 HydrophobicContact CB-CZ 3.76Å; Q19-F55 HydrophobicContact CG-CE1 4.02Å; Q19-F55 HydrophobicContact CG-CZ 4.04Å |
| 20 | V | 96.4 | Very high | 86.1 | Confident | 22 Ų | 22 | 46.1 Ų | 46.1 | 13% | 0.133 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -89.5 | 117.7 | -177.8 | 178.6 | 0 | 0 | 0 | 0 | 110.5 | V16 H24 W52 T150 I151 | V16-V20 HydrophobicContact CG1-CG2 3.63Å; V16-V20 WeakPolarHBondContact O-CG2 3Å; V16-V20 PolarHBondContact O-N 2.82Å; V20-H24 HydrophobicContact CG1-CB 4.43Å; V20-W52 HydrophobicContact CB-CZ3 4.3Å; V20-W52 HydrophobicContact CG1-CZ3 4.39Å; V20-W52 HydrophobicContact CG2-CE3 4.3Å; V20-W52 HydrophobicContact CG2-CZ3 4.24Å; V20-T150 WeakPolarHBondContact O-CA 3.5Å; V20-I151 HydrophobicContact CB-CD1 4.04Å; V20-I151 HydrophobicContact CG1-CD1 3.53Å; V20-I151 HydrophobicContact CG1-CG1 4.43Å; V20-I151 PolarHBondContact O-N 3.35Å |
| 21 | P | 96.4 | Very high | 89 | Confident | 51 Ų | 51 | 47 Ų | 47 | 33% | 0.331 | 27% | 0.267 | S | S | . | . | B | Isolated β-bridge | trans | -60.7 | 139.1 | 174.3 | -23.4 | 34.5 | 0 | 0 | 0 | 111.9 | Q19 L23 H24 | Q19-P21 WeakPolarHBondContact O-CD 3.33Å; P21-L23 PolarHBondContact O-N 2.89Å; P21-H24 WeakPolarHBondContact O-CB 3.44Å; P21-H24 PolarHBondContact O-N 3.21Å |
| 22 | F | 97.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61 | -31.9 | 176.7 | -179.6 | -118.6 | 0 | 0 | 0 | 112.4 | H24 L25 C26 L76 L149 I151 V154 E188 L192 M195 | F22-H24 PolarHBondContact O-N 3.4Å; F22-L25 HydrophobicContact CD2-CD2 4.35Å; F22-L25 HydrophobicContact CE2-CD2 4.2Å; F22-L25 WeakPolarHBondContact O-CB 3.42Å; F22-L25 PolarHBondContact O-N 2.98Å; F22-L25 VanDerWaalsContact O-N 3.16Å; F22-C26 WeakPolarHBondContact CE1-SG 3.38Å; F22-C26 WeakPolarHBondContact CZ-SG 3.43Å; F22-C26 PolarHBondContact O-N 2.76Å; F22-C26 PolarHBondContact O-SG 3.14Å; F22-C26 VanDerWaalsContact O-SG 3.39Å; F22-L76 HydrophobicContact CD2-CD1 4.48Å; F22-L76 HydrophobicContact CE2-CD1 4.14Å; F22-L149 VanDerWaalsContact CB-O 3.24Å; F22-L149 WeakPolarHBondContact CB-O 3.29Å; F22-L149 PolarHBondContact N-O 2.7Å; F22-I151 HydrophobicContact CD2-CG1 4.37Å; F22-V154 HydrophobicContact CB-CG2 3.91Å; F22-V154 HydrophobicContact CD1-CG2 3.89Å; F22-V154 HydrophobicContact CD2-CB 4.28Å; F22-V154 HydrophobicContact CD2-CG1 4.25Å; F22-V154 HydrophobicContact CD2-CG2 3.87Å; F22-V154 HydrophobicContact CE1-CG2 4.38Å; F22-V154 HydrophobicContact CE2-CG1 4.06Å; F22-V154 HydrophobicContact CE2-CG2 4.36Å; F22-V154 HydrophobicContact CG-CG2 3.62Å; F22-V154 HydrophobicContact CZ-CG1 4.38Å; F22-E188 HydrophobicContact CD1-CB 3.82Å; F22-E188 HydrophobicContact CD1-CG 3.64Å; F22-E188 HydrophobicContact CE1-CB 3.71Å; F22-E188 HydrophobicContact CE1-CG 3.95Å; F22-L192 HydrophobicContact CE1-CD1 4.09Å; F22-L192 HydrophobicContact CE1-CD2 3.8Å; F22-L192 HydrophobicContact CE1-CG 3.61Å; F22-L192 HydrophobicContact CE2-CD2 4.48Å; F22-L192 HydrophobicContact CZ-CD2 3.64Å; F22-L192 HydrophobicContact CZ-CG 3.78Å; F22-M195 HydrophobicContact CE2-CE 3.74Å; F22-M195 HydrophobicContact CE2-SD 3.83Å; F22-M195 HydrophobicContact CZ-CE 3.88Å; F22-M195 HydrophobicContact CZ-SD 3.78Å |
| 23 | L | 95.6 | Very high | 94 | Very high | 58 Ų | 58 | 39.9 Ų | 39.9 | 30% | 0.304 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -56.1 | -35.1 | 173.8 | -175.3 | 60.1 | 0 | 0 | 0 | 113.1 | P21 C26 T27 L187 E188 | P21-L23 PolarHBondContact O-N 2.89Å; L23-C26 PolarHBondContact O-N 3.3Å; L23-T27 WeakPolarHBondContact O-CB 3.39Å; L23-T27 PolarHBondContact O-N 2.85Å; L23-T27 PolarHBondContact O-OG1 3.22Å; L23-L187 HydrophobicContact CD1-CD2 4.5Å; L23-E188 WeakPolarHBondContact CA-OE1 3.29Å; L23-E188 HydrophobicContact CB-CG 4.4Å; L23-E188 WeakPolarHBondContact CB-OE1 3.21Å; L23-E188 HydrophobicContact CD1-CG 4Å; L23-E188 PolarHBondContact N-OE1 2.92Å |
| 24 | H | 96.1 | Very high | 95.6 | Very high | 109 Ų | 109 | 41 Ų | 41 | 51% | 0.505 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -65.1 | -46.2 | 178 | -70.9 | -175.8 | 0 | 0 | 0 | 110.9 | V20 P21 F22 C26 T27 T28 | V20-H24 HydrophobicContact CG1-CB 4.43Å; P21-H24 WeakPolarHBondContact O-CB 3.44Å; P21-H24 PolarHBondContact O-N 3.21Å; F22-H24 PolarHBondContact O-N 3.4Å; H24-C26 PolarHBondContact O-N 2.91Å; H24-T27 PolarHBondContact O-N 2.89Å; H24-T28 PolarHBondContact O-N 3.33Å; H24-T28 PolarHBondContact O-OG1 2.83Å; H24-T28 VanDerWaalsContact O-OG1 3.13Å |
| 25 | L | 97.9 | Very high | 96.2 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.4 | -47.8 | 173.4 | 175.8 | 60.7 | 0 | 0 | 0 | 110.9 | F22 T27 T28 L29 F48 L76 I77 I151 M195 | F22-L25 HydrophobicContact CD2-CD2 4.35Å; F22-L25 HydrophobicContact CE2-CD2 4.2Å; F22-L25 WeakPolarHBondContact O-CB 3.42Å; F22-L25 PolarHBondContact O-N 2.98Å; F22-L25 VanDerWaalsContact O-N 3.16Å; L25-T27 VanDerWaalsContact C-N 3.3Å; L25-T27 PolarHBondContact O-N 2.86Å; L25-T28 WeakPolarHBondContact O-CB 3.37Å; L25-T28 PolarHBondContact O-N 3.35Å; L25-L29 HydrophobicContact CD1-CD1 4.09Å; L25-L29 HydrophobicContact CD1-CD2 4.47Å; L25-L29 HydrophobicContact CD1-CG 4.08Å; L25-L29 HydrophobicContact CG-CD1 3.94Å; L25-L29 HydrophobicContact CG-CG 4.37Å; L25-L29 VanDerWaalsContact O-CG 3.25Å; L25-L29 WeakPolarHBondContact O-CG 3.35Å; L25-L29 PolarHBondContact O-N 3.14Å; L25-F48 HydrophobicContact CB-CZ 4.14Å; L25-F48 HydrophobicContact CD1-CE1 3.89Å; L25-F48 HydrophobicContact CD1-CZ 3.96Å; L25-L76 HydrophobicContact CD2-CB 4.06Å; L25-L76 HydrophobicContact CD2-CD1 4Å; L25-I77 HydrophobicContact CD1-CD1 4.05Å; L25-I77 HydrophobicContact CD1-CG1 3.86Å; L25-I151 HydrophobicContact CB-CD1 3.97Å; L25-I151 HydrophobicContact CB-CG1 4.43Å; L25-I151 HydrophobicContact CD2-CD1 4.23Å; L25-I151 HydrophobicContact CD2-CG1 4.39Å; L25-M195 HydrophobicContact CD2-CE 4.19Å |
| 26 | C | 97.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.9 | -39.4 | 179.5 | -70.1 | 0 | 0 | 0 | 0 | 113 | F22 L23 H24 L29 E30 E188 W191 | F22-C26 WeakPolarHBondContact CE1-SG 3.38Å; F22-C26 WeakPolarHBondContact CZ-SG 3.43Å; F22-C26 PolarHBondContact O-N 2.76Å; F22-C26 PolarHBondContact O-SG 3.14Å; F22-C26 VanDerWaalsContact O-SG 3.39Å; L23-C26 PolarHBondContact O-N 3.3Å; H24-C26 PolarHBondContact O-N 2.91Å; C26-L29 PolarHBondContact O-N 3.27Å; C26-E30 WeakPolarHBondContact O-CB 3.45Å; C26-E30 PolarHBondContact O-N 2.74Å; C26-E188 HydrophobicContact CB-CG 4.15Å; C26-W191 HydrophobicContact CB-CG 4.33Å; C26-W191 PolarHBondContact O-NE1 2.83Å |
| 27 | T | 96.8 | Very high | 95.4 | Very high | 52 Ų | 52 | 53.5 Ų | 53.5 | 32% | 0.319 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -67.7 | -40.8 | 177.6 | -58.3 | 0 | 0 | 0 | 0 | 111.4 | L23 H24 L25 E30 K31 | L23-T27 WeakPolarHBondContact O-CB 3.39Å; L23-T27 PolarHBondContact O-N 2.85Å; L23-T27 PolarHBondContact O-OG1 3.22Å; H24-T27 PolarHBondContact O-N 2.89Å; L25-T27 VanDerWaalsContact C-N 3.3Å; L25-T27 PolarHBondContact O-N 2.86Å; T27-E30 WeakPolarHBondContact O-CB 3.49Å; T27-E30 PolarHBondContact O-N 2.89Å; T27-K31 WeakPolarHBondContact O-CG 3.37Å; T27-K31 PolarHBondContact O-N 2.96Å |
| 28 | T | 97.5 | Very high | 94.8 | Very high | 22 Ų | 22 | 60.2 Ų | 60.2 | 14% | 0.135 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.8 | -48.1 | 172.7 | -61.9 | 0 | 0 | 0 | 0 | 111.1 | H24 L25 E30 K31 I32 F48 | H24-T28 PolarHBondContact O-N 3.33Å; H24-T28 PolarHBondContact O-OG1 2.83Å; H24-T28 VanDerWaalsContact O-OG1 3.13Å; L25-T28 WeakPolarHBondContact O-CB 3.37Å; L25-T28 PolarHBondContact O-N 3.35Å; T28-E30 VanDerWaalsContact C-N 3.27Å; T28-E30 PolarHBondContact O-N 3.27Å; T28-K31 PolarHBondContact O-N 3.45Å; T28-I32 HydrophobicContact CG2-CD1 3.91Å; T28-I32 VanDerWaalsContact O-CG1 3.31Å; T28-I32 WeakPolarHBondContact O-CG1 3.19Å; T28-I32 PolarHBondContact O-N 3Å; T28-F48 HydrophobicContact CG2-CB 3.75Å; T28-F48 HydrophobicContact CG2-CD2 4.38Å; T28-F48 HydrophobicContact CG2-CG 4.06Å |
| 29 | L | 97.9 | Very high | 94.4 | Very high | 2 Ų | 2 | 63.5 Ų | 63.5 | 1% | 0.01 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.7 | -36.3 | 177.7 | -64.8 | 172 | 0 | 0 | 0 | 111.9 | L25 C26 I32 Q33 I77 W191 M195 M200 L202 | L25-L29 HydrophobicContact CD1-CD1 4.09Å; L25-L29 HydrophobicContact CD1-CD2 4.47Å; L25-L29 HydrophobicContact CD1-CG 4.08Å; L25-L29 HydrophobicContact CG-CD1 3.94Å; L25-L29 HydrophobicContact CG-CG 4.37Å; L25-L29 VanDerWaalsContact O-CG 3.25Å; L25-L29 WeakPolarHBondContact O-CG 3.35Å; L25-L29 PolarHBondContact O-N 3.14Å; C26-L29 PolarHBondContact O-N 3.27Å; L29-I32 PolarHBondContact O-N 3.1Å; L29-Q33 WeakPolarHBondContact O-CB 3.46Å; L29-Q33 PolarHBondContact O-N 3.28Å; L29-I77 HydrophobicContact CD2-CG1 4.36Å; L29-W191 HydrophobicContact CB-CD2 3.85Å; L29-W191 HydrophobicContact CB-CE3 4.03Å; L29-W191 HydrophobicContact CB-CH2 3.8Å; L29-W191 HydrophobicContact CB-CZ2 3.62Å; L29-W191 HydrophobicContact CB-CZ3 3.99Å; L29-W191 HydrophobicContact CD1-CD2 4.04Å; L29-W191 HydrophobicContact CD1-CE3 3.95Å; L29-W191 HydrophobicContact CD1-CG 4.37Å; L29-W191 HydrophobicContact CD1-CZ3 4.45Å; L29-W191 WeakPolarHBondContact O-CZ2 3.5Å; L29-M195 HydrophobicContact CD1-CE 3.74Å; L29-M200 HydrophobicContact CD1-CE 3.66Å; L29-M200 HydrophobicContact CD2-CE 4.35Å; L29-L202 HydrophobicContact CB-CD2 4.23Å; L29-L202 HydrophobicContact CD2-CD1 3.95Å; L29-L202 HydrophobicContact CD2-CD2 3.82Å |
| 30 | E | 96.8 | Very high | 94.2 | Very high | 22 Ų | 22 | 61.5 Ų | 61.5 | 10% | 0.103 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.9 | -45.2 | 174.9 | -167.4 | 65.6 | -175.7 | 0 | 0 | 112.6 | C26 T27 T28 Q33 K34 L187 K190 W191 | C26-E30 WeakPolarHBondContact O-CB 3.45Å; C26-E30 PolarHBondContact O-N 2.74Å; T27-E30 WeakPolarHBondContact O-CB 3.49Å; T27-E30 PolarHBondContact O-N 2.89Å; T28-E30 VanDerWaalsContact C-N 3.27Å; T28-E30 PolarHBondContact O-N 3.27Å; E30-Q33 PolarHBondContact O-N 3.18Å; E30-K34 HydrophobicContact CG-CD 4.26Å; E30-K34 WeakPolarHBondContact O-CG 3.32Å; E30-K34 PolarHBondContact O-N 3.35Å; E30-K34 VanDerWaalsContact O-N 3.09Å; E30-K34 WeakPolarHBondContact OE1-CE 3.39Å; E30-K34 IonicContact OE1-NZ 3.93Å; E30-K34 PolarHBondContact OE1-NZ 3.12Å; E30-L187 HydrophobicContact CB-CD1 4.39Å; E30-L187 HydrophobicContact CG-CD1 4.16Å; E30-K190 IonicContact OE1-NZ 2.84Å; E30-K190 PolarHBondContact OE1-NZ 2.97Å; E30-K190 VanDerWaalsContact OE2-CE 3.31Å; E30-K190 WeakPolarHBondContact OE2-CE 3.49Å; E30-K190 IonicContact OE2-NZ 2.78Å; E30-K190 PolarHBondContact OE2-NZ 3.25Å; E30-W191 WeakPolarHBondContact OE2-CZ2 2.97Å; E30-W191 PolarHBondContact OE2-NE1 2.97Å |
| 31 | K | 96.1 | Very high | 94.1 | Very high | 112 Ų | 112 | 61.1 Ų | 61.1 | 49% | 0.487 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -59.6 | -52 | 174.6 | -71.6 | 175 | -179.6 | 179.5 | 0 | 110.1 | T27 T28 Q33 K34 T35 F44 | T27-K31 WeakPolarHBondContact O-CG 3.37Å; T27-K31 PolarHBondContact O-N 2.96Å; T28-K31 PolarHBondContact O-N 3.45Å; K31-Q33 VanDerWaalsContact C-N 3.32Å; K31-Q33 PolarHBondContact O-N 3.46Å; K31-K34 PolarHBondContact O-N 2.82Å; K31-T35 PolarHBondContact O-N 2.96Å; K31-T35 VanDerWaalsContact O-N 3.14Å; K31-T35 PolarHBondContact O-OG1 3.02Å; K31-F44 HydrophobicContact CB-CD2 4.41Å; K31-F44 HydrophobicContact CB-CG 4.42Å |
| 32 | I | 96 | Very high | 94 | Very high | 3 Ų | 3 | 59.8 Ų | 59.8 | 2% | 0.015 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -54.3 | -48.2 | 177.8 | -67.4 | 167.6 | 0 | 0 | 0 | 110.8 | T28 L29 K34 K41 F44 L45 L202 | T28-I32 HydrophobicContact CG2-CD1 3.91Å; T28-I32 VanDerWaalsContact O-CG1 3.31Å; T28-I32 WeakPolarHBondContact O-CG1 3.19Å; T28-I32 PolarHBondContact O-N 3Å; L29-I32 PolarHBondContact O-N 3.1Å; I32-K34 PolarHBondContact O-N 3.29Å; I32-K41 HydrophobicContact CG2-CB 4.09Å; I32-K41 HydrophobicContact CG2-CG 4.21Å; I32-K41 WeakPolarHBondContact O-CG 3.37Å; I32-K41 PolarHBondContact O-NZ 2.64Å; I32-F44 HydrophobicContact CG1-CB 3.77Å; I32-L45 HydrophobicContact CD1-CB 3.89Å; I32-L45 HydrophobicContact CD1-CD1 4.45Å; I32-L202 HydrophobicContact CG2-CB 4.13Å; I32-L202 HydrophobicContact CG2-CD2 4.28Å |
| 33 | Q | 94.4 | Very high | 93.9 | Very high | 46 Ų | 46 | 65.7 Ų | 65.7 | 22% | 0.215 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.1 | -43.6 | -177.9 | 173.9 | 165.3 | 72.3 | 0 | 0 | 112.7 | L29 E30 K31 K41 W191 R194 K201 | L29-Q33 WeakPolarHBondContact O-CB 3.46Å; L29-Q33 PolarHBondContact O-N 3.28Å; E30-Q33 PolarHBondContact O-N 3.18Å; K31-Q33 VanDerWaalsContact C-N 3.32Å; K31-Q33 PolarHBondContact O-N 3.46Å; Q33-K41 PolarHBondContact O-NZ 2.74Å; Q33-W191 HydrophobicContact CB-CH2 4.04Å; Q33-W191 HydrophobicContact CB-CZ2 4.24Å; Q33-R194 VanDerWaalsContact NE2-CZ 3.31Å; Q33-R194 VanDerWaalsContact NE2-NH2 3.17Å; Q33-K201 PolarHBondContact NE2-O 3.44Å |
| 34 | K | 92.3 | Very high | 93.9 | Very high | 152 Ų | 152 | 66.1 Ų | 66.1 | 66% | 0.661 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -71.1 | -28.8 | -175.9 | -75.3 | 178 | 176.1 | 167.7 | 0 | 113.8 | E30 K31 I32 | E30-K34 HydrophobicContact CG-CD 4.26Å; E30-K34 WeakPolarHBondContact O-CG 3.32Å; E30-K34 PolarHBondContact O-N 3.35Å; E30-K34 VanDerWaalsContact O-N 3.09Å; E30-K34 WeakPolarHBondContact OE1-CE 3.39Å; E30-K34 IonicContact OE1-NZ 3.93Å; E30-K34 PolarHBondContact OE1-NZ 3.12Å; K31-K34 PolarHBondContact O-N 2.82Å; I32-K34 PolarHBondContact O-N 3.29Å |
| 35 | T | 94.2 | Very high | 93.9 | Very high | 29 Ų | 29 | 61.3 Ų | 61.3 | 18% | 0.178 | 29% | 0.293 | C | S | . | . | trans | -64.9 | 138.4 | 177.7 | -61.2 | 0 | 0 | 0 | 0 | 111.4 | K31 D40 K41 F44 | K31-T35 PolarHBondContact O-N 2.96Å; K31-T35 VanDerWaalsContact O-N 3.14Å; K31-T35 PolarHBondContact O-OG1 3.02Å; T35-D40 HydrophobicContact CG2-CB 3.38Å; T35-K41 HydrophobicContact CG2-CG 4.04Å; T35-K41 WeakPolarHBondContact O-CE 3.38Å; T35-K41 PolarHBondContact O-NZ 3.42Å; T35-F44 HydrophobicContact CG2-CE2 4.39Å; T35-F44 WeakPolarHBondContact OG1-CE2 3.41Å | ||
| 36 | K | 88.1 | Confident | 93.9 | Very high | 198 Ų | 198 | 67.5 Ų | 67.5 | 86% | 0.861 | 32% | 0.317 | S | S | * | . | trans | -85.9 | -46.2 | 178.1 | -67.5 | -176.7 | -179 | 178 | 0 | 112.3 | ||||
| 37 | L | 86.9 | Confident | 93.9 | Very high | 111 Ų | 111 | 71.2 Ų | 71.2 | 58% | 0.581 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -75.4 | 133.1 | -173.9 | -61 | 178.2 | 0 | 0 | 0 | 111.9 | D40 K41 | L37-D40 PolarHBondContact O-N 2.83Å; L37-K41 WeakPolarHBondContact O-CG 3.33Å; L37-K41 PolarHBondContact O-N 2.83Å |
| 38 | R | 83.3 | Confident | 93.9 | Very high | 142 Ų | 142 | 69.8 Ų | 69.8 | 54% | 0.536 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.1 | -38.7 | -179.5 | -172.8 | 179.4 | 178.8 | -174.1 | -1.2 | 114.1 | D40 K41 S42 T208 | R38-D40 PolarHBondContact O-N 3.45Å; R38-K41 PolarHBondContact O-N 3.07Å; R38-S42 PolarHBondContact O-N 3.26Å; R38-S42 VanDerWaalsContact O-N 3.16Å; R38-S42 PolarHBondContact O-OG 2.69Å; R38-T208 PolarHBondContact NH2-OG1 3.07Å |
| 39 | P | 89.1 | Confident | 94 | Very high | 94 Ų | 94 | 68.8 Ų | 68.8 | 61% | 0.61 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -58.1 | -46.5 | 176.4 | -26.5 | 36.2 | 0 | 0 | 0 | 112.3 | K41 S42 K43 | P39-K41 PolarHBondContact O-N 2.84Å; P39-S42 WeakPolarHBondContact O-CB 3.39Å; P39-S42 PolarHBondContact O-N 3.39Å; P39-S42 VanDerWaalsContact O-N 3.08Å; P39-K43 PolarHBondContact O-N 2.88Å |
| 40 | D | 91.6 | Very high | 93.9 | Very high | 66 Ų | 66 | 71.2 Ų | 71.2 | 35% | 0.353 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.8 | -39.8 | 179.7 | -63.9 | -20 | 0 | 0 | 0 | 112.6 | T35 L37 R38 S42 K43 F44 | T35-D40 HydrophobicContact CG2-CB 3.38Å; L37-D40 PolarHBondContact O-N 2.83Å; R38-D40 PolarHBondContact O-N 3.45Å; D40-S42 VanDerWaalsContact C-N 3.26Å; D40-S42 PolarHBondContact O-N 3.44Å; D40-K43 WeakPolarHBondContact O-CB 3.35Å; D40-K43 PolarHBondContact O-N 3.26Å; D40-F44 HydrophobicContact CB-CE2 4.45Å; D40-F44 WeakPolarHBondContact O-CD2 3.39Å; D40-F44 PolarHBondContact O-N 2.89Å |
| 41 | K | 94.1 | Very high | 94 | Very high | 14 Ų | 14 | 73.8 Ų | 73.8 | 6% | 0.061 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -56.8 | -43 | 172.5 | -69.9 | -179 | -176.4 | -78.2 | 0 | 111.7 | I32 Q33 T35 L37 R38 P39 L45 L202 V204 | I32-K41 HydrophobicContact CG2-CB 4.09Å; I32-K41 HydrophobicContact CG2-CG 4.21Å; I32-K41 WeakPolarHBondContact O-CG 3.37Å; I32-K41 PolarHBondContact O-NZ 2.64Å; Q33-K41 PolarHBondContact O-NZ 2.74Å; T35-K41 HydrophobicContact CG2-CG 4.04Å; T35-K41 WeakPolarHBondContact O-CE 3.38Å; T35-K41 PolarHBondContact O-NZ 3.42Å; L37-K41 WeakPolarHBondContact O-CG 3.33Å; L37-K41 PolarHBondContact O-N 2.83Å; R38-K41 PolarHBondContact O-N 3.07Å; P39-K41 PolarHBondContact O-N 2.84Å; K41-L45 PolarHBondContact O-N 3.02Å; K41-L202 PolarHBondContact NZ-O 3.37Å; K41-V204 HydrophobicContact CB-CG1 3.69Å; K41-V204 HydrophobicContact CD-CG1 3.74Å; K41-V204 HydrophobicContact CG-CG1 4.37Å |
| 42 | S | 93.9 | Very high | 94.1 | Very high | 22 Ų | 22 | 68.7 Ų | 68.7 | 15% | 0.154 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -70.7 | -35.5 | -179.3 | -51.6 | 0 | 0 | 0 | 0 | 111.2 | R38 P39 D40 L45 R46 | R38-S42 PolarHBondContact O-N 3.26Å; R38-S42 VanDerWaalsContact O-N 3.16Å; R38-S42 PolarHBondContact O-OG 2.69Å; P39-S42 WeakPolarHBondContact O-CB 3.39Å; P39-S42 PolarHBondContact O-N 3.39Å; P39-S42 VanDerWaalsContact O-N 3.08Å; D40-S42 VanDerWaalsContact C-N 3.26Å; D40-S42 PolarHBondContact O-N 3.44Å; S42-L45 PolarHBondContact O-N 3.22Å; S42-R46 WeakPolarHBondContact O-CB 2.76Å; S42-R46 PolarHBondContact O-N 3.18Å |
| 43 | K | 95.4 | Very high | 94.1 | Very high | 124 Ų | 124 | 70 Ų | 70 | 54% | 0.539 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.5 | -52.4 | 173.5 | -177.4 | -178.4 | 176.4 | 179.7 | 0 | 111.9 | P39 D40 L45 R46 D47 | P39-K43 PolarHBondContact O-N 2.88Å; D40-K43 WeakPolarHBondContact O-CB 3.35Å; D40-K43 PolarHBondContact O-N 3.26Å; K43-L45 VanDerWaalsContact C-N 3.25Å; K43-L45 PolarHBondContact O-N 3.22Å; K43-R46 WeakPolarHBondContact O-CA 3.15Å; K43-R46 WeakPolarHBondContact O-CB 3.49Å; K43-R46 PolarHBondContact O-N 3.48Å; K43-D47 VanDerWaalsContact O-CG 3.24Å; K43-D47 PolarHBondContact O-N 3.36Å |
| 44 | F | 96.6 | Very high | 94.2 | Very high | 67 Ų | 67 | 75.4 Ų | 75.4 | 29% | 0.294 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.2 | -35.5 | 179.6 | -68.1 | -54.3 | 0 | 0 | 0 | 113.4 | K31 I32 T35 D40 F48 | K31-F44 HydrophobicContact CB-CD2 4.41Å; K31-F44 HydrophobicContact CB-CG 4.42Å; I32-F44 HydrophobicContact CG1-CB 3.77Å; T35-F44 HydrophobicContact CG2-CE2 4.39Å; T35-F44 WeakPolarHBondContact OG1-CE2 3.41Å; D40-F44 HydrophobicContact CB-CE2 4.45Å; D40-F44 WeakPolarHBondContact O-CD2 3.39Å; D40-F44 PolarHBondContact O-N 2.89Å; F44-F48 PolarHBondContact O-N 2.84Å |
| 45 | L | 96.5 | Very high | 94.5 | Very high | 8 Ų | 8 | 72.2 Ų | 72.2 | 4% | 0.042 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -66.9 | -44.3 | 173.8 | 177.8 | 61.3 | 0 | 0 | 0 | 111.3 | I32 K41 S42 K43 F48 I49 I77 V209 V212 | I32-L45 HydrophobicContact CD1-CB 3.89Å; I32-L45 HydrophobicContact CD1-CD1 4.45Å; K41-L45 PolarHBondContact O-N 3.02Å; S42-L45 PolarHBondContact O-N 3.22Å; K43-L45 VanDerWaalsContact C-N 3.25Å; K43-L45 PolarHBondContact O-N 3.22Å; L45-F48 PolarHBondContact O-N 3.02Å; L45-I49 HydrophobicContact CD1-CD1 4.07Å; L45-I49 HydrophobicContact CD1-CG1 4.45Å; L45-I49 HydrophobicContact CG-CD1 3.89Å; L45-I49 WeakPolarHBondContact O-CG1 3.46Å; L45-I49 PolarHBondContact O-N 3.33Å; L45-I77 HydrophobicContact CD1-CD1 4.18Å; L45-V209 HydrophobicContact CD2-CB 4.2Å; L45-V209 HydrophobicContact CD2-CG1 4.01Å; L45-V209 HydrophobicContact CD2-CG2 4.03Å; L45-V212 HydrophobicContact CB-CG1 4.27Å; L45-V212 HydrophobicContact CD2-CB 4Å; L45-V212 HydrophobicContact CD2-CG1 3.91Å; L45-V212 HydrophobicContact CD2-CG2 4.41Å; L45-V212 HydrophobicContact CG-CG1 3.92Å |
| 46 | R | 96.8 | Very high | 94.5 | Very high | 131 Ų | 131 | 71.5 Ų | 71.5 | 49% | 0.494 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.6 | -47.2 | 177.3 | -172.3 | 175.5 | -61.7 | -153.4 | -2.5 | 111.5 | S42 K43 F48 I49 D50 V212 | S42-R46 WeakPolarHBondContact O-CB 2.76Å; S42-R46 PolarHBondContact O-N 3.18Å; K43-R46 WeakPolarHBondContact O-CA 3.15Å; K43-R46 WeakPolarHBondContact O-CB 3.49Å; K43-R46 PolarHBondContact O-N 3.48Å; R46-F48 PolarHBondContact O-N 3.22Å; R46-I49 PolarHBondContact O-N 3.36Å; R46-D50 WeakPolarHBondContact CG-OD2 3.39Å; R46-D50 WeakPolarHBondContact O-CB 3.47Å; R46-D50 VanDerWaalsContact O-CG 3.29Å; R46-D50 PolarHBondContact O-N 3.45Å; R46-V212 HydrophobicContact CB-CG1 3.97Å |
| 47 | D | 97.4 | Very high | 94.8 | Very high | 79 Ų | 79 | 65.1 Ų | 65.1 | 42% | 0.422 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -56.4 | -39.3 | 178.3 | -63.5 | -19.3 | 0 | 0 | 0 | 111.7 | K43 S51 | K43-D47 VanDerWaalsContact O-CG 3.24Å; K43-D47 PolarHBondContact O-N 3.36Å; D47-S51 WeakPolarHBondContact O-CB 3.41Å; D47-S51 PolarHBondContact O-N 3.42Å |
| 48 | F | 98 | Very high | 95.2 | Very high | 21 Ų | 21 | 63.2 Ų | 63.2 | 9% | 0.092 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -69.2 | -42.6 | 176 | -179.7 | -99.4 | 0 | 0 | 0 | 112.6 | L25 T28 F44 L45 R46 S51 W52 F70 A73 I151 | L25-F48 HydrophobicContact CB-CZ 4.14Å; L25-F48 HydrophobicContact CD1-CE1 3.89Å; L25-F48 HydrophobicContact CD1-CZ 3.96Å; T28-F48 HydrophobicContact CG2-CB 3.75Å; T28-F48 HydrophobicContact CG2-CD2 4.38Å; T28-F48 HydrophobicContact CG2-CG 4.06Å; F44-F48 PolarHBondContact O-N 2.84Å; L45-F48 PolarHBondContact O-N 3.02Å; R46-F48 PolarHBondContact O-N 3.22Å; F48-S51 PolarHBondContact O-N 2.94Å; F48-W52 HydrophobicContact CE1-CE3 4.26Å; F48-W52 HydrophobicContact CZ-CE3 4.15Å; F48-W52 HydrophobicContact CZ-CZ3 4.43Å; F48-W52 PolarHBondContact O-N 3.41Å; F48-F70 HydrophobicContact CD1-CE2 4.06Å; F48-F70 AromaticContact CD1-CZ 3.97Å; F48-F70 HydrophobicContact CD1-CZ 3.97Å; F48-F70 AromaticContact CE1-CE2 3.78Å; F48-F70 HydrophobicContact CE1-CE2 3.78Å; F48-F70 AromaticContact CE1-CZ 3.88Å; F48-F70 HydrophobicContact CE1-CZ 3.88Å; F48-A73 HydrophobicContact CE1-CB 4.27Å; F48-I151 HydrophobicContact CZ-CD1 4.34Å |
| 49 | I | 98.1 | Very high | 95.8 | Very high | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.1 | -43.1 | 176.5 | -68.3 | 164.6 | 0 | 0 | 0 | 110.8 | L45 R46 W52 R53 F70 V212 F213 | L45-I49 HydrophobicContact CD1-CD1 4.07Å; L45-I49 HydrophobicContact CD1-CG1 4.45Å; L45-I49 HydrophobicContact CG-CD1 3.89Å; L45-I49 WeakPolarHBondContact O-CG1 3.46Å; L45-I49 PolarHBondContact O-N 3.33Å; R46-I49 PolarHBondContact O-N 3.36Å; I49-W52 WeakPolarHBondContact O-CB 3.46Å; I49-W52 PolarHBondContact O-N 3.01Å; I49-R53 WeakPolarHBondContact O-CG 3.48Å; I49-R53 PolarHBondContact O-N 3.4Å; I49-F70 HydrophobicContact CD1-CE1 4.32Å; I49-F70 HydrophobicContact CD1-CZ 4.49Å; I49-F70 HydrophobicContact CG1-CE1 3.81Å; I49-F70 HydrophobicContact CG1-CE2 4.1Å; I49-F70 HydrophobicContact CG1-CZ 3.57Å; I49-V212 HydrophobicContact CD1-CG1 4.12Å; I49-F213 HydrophobicContact CD1-CB 4.29Å; I49-F213 HydrophobicContact CD1-CD2 4.41Å; I49-F213 HydrophobicContact CG2-CD2 4.1Å |
| 50 | D | 97.5 | Very high | 96 | Very high | 54 Ų | 54 | 55.6 Ų | 55.6 | 29% | 0.289 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -67.5 | -39.1 | -179.4 | -68.4 | -14.9 | 0 | 0 | 0 | 111.2 | R46 W52 R53 K54 | R46-D50 WeakPolarHBondContact CG-OD2 3.39Å; R46-D50 WeakPolarHBondContact O-CB 3.47Å; R46-D50 VanDerWaalsContact O-CG 3.29Å; R46-D50 PolarHBondContact O-N 3.45Å; D50-W52 VanDerWaalsContact C-N 3.35Å; D50-R53 PolarHBondContact O-N 3.26Å; D50-K54 WeakPolarHBondContact O-CB 3.49Å; D50-K54 VanDerWaalsContact O-CG 3.3Å; D50-K54 WeakPolarHBondContact O-CG 3.43Å; D50-K54 PolarHBondContact O-N 3.29Å |
| 51 | S | 97.8 | Very high | 96 | Very high | 75 Ų | 75 | 60.5 Ų | 60.5 | 52% | 0.524 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.6 | -44.3 | 171.2 | -173.9 | 0 | 0 | 0 | 0 | 111.6 | D47 F48 K54 F55 | D47-S51 WeakPolarHBondContact O-CB 3.41Å; D47-S51 PolarHBondContact O-N 3.42Å; F48-S51 PolarHBondContact O-N 2.94Å; S51-K54 PolarHBondContact O-N 2.79Å; S51-F55 PolarHBondContact O-N 3.07Å |
| 52 | W | 98.1 | Very high | 95.8 | Very high | 6 Ų | 6 | 67.2 Ų | 67.2 | 2% | 0.023 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60 | -47.1 | 175.2 | -172.8 | -68.2 | 0 | 0 | 0 | 112.1 | V16 A17 V20 F48 I49 D50 F55 H56 F70 A73 I151 | V16-W52 HydrophobicContact CB-CD2 4.38Å; V16-W52 HydrophobicContact CB-CZ2 3.82Å; V16-W52 HydrophobicContact CG1-CD2 3.45Å; V16-W52 VanDerWaalsContact CG1-CD2 3.45Å; V16-W52 HydrophobicContact CG1-CE3 3.91Å; V16-W52 HydrophobicContact CG1-CG 3.9Å; V16-W52 HydrophobicContact CG1-CH2 4.06Å; V16-W52 HydrophobicContact CG1-CZ2 3.62Å; V16-W52 HydrophobicContact CG1-CZ3 4.18Å; A17-W52 HydrophobicContact CB-CH2 3.9Å; A17-W52 HydrophobicContact CB-CZ2 4.23Å; V20-W52 HydrophobicContact CB-CZ3 4.3Å; V20-W52 HydrophobicContact CG1-CZ3 4.39Å; V20-W52 HydrophobicContact CG2-CE3 4.3Å; V20-W52 HydrophobicContact CG2-CZ3 4.24Å; F48-W52 HydrophobicContact CE1-CE3 4.26Å; F48-W52 HydrophobicContact CZ-CE3 4.15Å; F48-W52 HydrophobicContact CZ-CZ3 4.43Å; F48-W52 PolarHBondContact O-N 3.41Å; I49-W52 WeakPolarHBondContact O-CB 3.46Å; I49-W52 PolarHBondContact O-N 3.01Å; D50-W52 VanDerWaalsContact C-N 3.35Å; W52-F55 PolarHBondContact O-N 3.34Å; W52-H56 WeakPolarHBondContact O-CB 3.42Å; W52-H56 PolarHBondContact O-N 3.2Å; W52-F70 HydrophobicContact CB-CD2 3.99Å; W52-F70 HydrophobicContact CB-CE2 4.03Å; W52-F70 AromaticContact CD1-CD2 3.75Å; W52-F70 AromaticContact CD2-CD2 3.48Å; W52-F70 HydrophobicContact CD2-CD2 3.48Å; W52-F70 VanDerWaalsContact CD2-CD2 3.48Å; W52-F70 AromaticContact CD2-CE2 3.78Å; W52-F70 HydrophobicContact CD2-CE2 3.78Å; W52-F70 AromaticContact CE2-CD2 3.77Å; W52-F70 AromaticContact CE3-CD2 3.98Å; W52-F70 HydrophobicContact CE3-CD2 3.98Å; W52-F70 AromaticContact CE3-CE2 3.83Å; W52-F70 HydrophobicContact CE3-CE2 3.83Å; W52-F70 AromaticContact CG-CD2 3.48Å; W52-F70 HydrophobicContact CG-CD2 3.48Å; W52-F70 VanDerWaalsContact CG-CD2 3.48Å; W52-F70 AromaticContact CG-CE2 3.9Å; W52-F70 HydrophobicContact CG-CE2 3.9Å; W52-F70 HydrophobicContact CZ2-CD2 4.48Å; W52-F70 AromaticContact NE1-CD2 3.92Å; W52-A73 HydrophobicContact CE3-CB 4.19Å; W52-A73 HydrophobicContact CH2-CB 3.87Å; W52-A73 HydrophobicContact CZ3-CB 3.64Å; W52-I151 HydrophobicContact CH2-CD1 4.31Å; W52-I151 HydrophobicContact CH2-CG2 4.38Å; W52-I151 HydrophobicContact CZ3-CD1 3.66Å |
| 53 | R | 97 | Very high | 95.5 | Very high | 31 Ų | 31 | 68.3 Ų | 68.3 | 12% | 0.117 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -61.8 | -43.8 | 178.9 | -77.6 | 175.3 | 166.8 | 143.8 | -2.9 | 112 | I49 D50 F55 H56 A57 F213 H235 | I49-R53 WeakPolarHBondContact O-CG 3.48Å; I49-R53 PolarHBondContact O-N 3.4Å; D50-R53 PolarHBondContact O-N 3.26Å; R53-F55 VanDerWaalsContact C-N 3.33Å; R53-F55 PolarHBondContact O-N 2.89Å; R53-H56 PolarHBondContact O-N 3.05Å; R53-A57 WeakPolarHBondContact O-CB 3.44Å; R53-A57 PolarHBondContact O-N 3.5Å; R53-F213 PolarHBondContact NH1-O 3.15Å; R53-F213 PolarHBondContact NH2-O 2.93Å; R53-H235 PolarHBondContact NE-O 3.34Å; R53-H235 PolarHBondContact NH2-O 3.46Å |
| 54 | K | 96.8 | Very high | 94.7 | Very high | 159 Ų | 159 | 68.4 Ų | 68.4 | 69% | 0.691 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -59.6 | -44.1 | 175.5 | -73.8 | 172.8 | -176.7 | 178.4 | 0 | 111.8 | D50 S51 A58 | D50-K54 WeakPolarHBondContact O-CB 3.49Å; D50-K54 VanDerWaalsContact O-CG 3.3Å; D50-K54 WeakPolarHBondContact O-CG 3.43Å; D50-K54 PolarHBondContact O-N 3.29Å; S51-K54 PolarHBondContact O-N 2.79Å; K54-A58 PolarHBondContact O-N 2.98Å; K54-A58 VanDerWaalsContact O-N 3.14Å |
| 55 | F | 96.5 | Very high | 94.2 | Very high | 84 Ų | 84 | 70.9 Ų | 70.9 | 37% | 0.368 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -70.2 | -37.9 | 178.1 | -173.3 | -104.2 | 0 | 0 | 0 | 112.5 | V16 Q19 S51 W52 R53 A58 L59 | V16-F55 HydrophobicContact CB-CD1 4.14Å; V16-F55 HydrophobicContact CB-CE1 4.48Å; V16-F55 HydrophobicContact CG1-CD1 3.68Å; V16-F55 HydrophobicContact CG1-CE1 4.28Å; V16-F55 HydrophobicContact CG2-CD1 3.78Å; V16-F55 HydrophobicContact CG2-CE1 4.29Å; Q19-F55 HydrophobicContact CB-CE1 3.63Å; Q19-F55 HydrophobicContact CB-CZ 3.76Å; Q19-F55 HydrophobicContact CG-CE1 4.02Å; Q19-F55 HydrophobicContact CG-CZ 4.04Å; S51-F55 PolarHBondContact O-N 3.07Å; W52-F55 PolarHBondContact O-N 3.34Å; R53-F55 VanDerWaalsContact C-N 3.33Å; R53-F55 PolarHBondContact O-N 2.89Å; F55-A58 PolarHBondContact O-N 3.48Å; F55-L59 HydrophobicContact CE1-CD2 4.18Å; F55-L59 VanDerWaalsContact O-CB 3.3Å; F55-L59 WeakPolarHBondContact O-CB 3.5Å; F55-L59 PolarHBondContact O-N 3.41Å |
| 56 | H | 96.1 | Very high | 93.9 | Very high | 15 Ų | 15 | 71.9 Ų | 71.9 | 7% | 0.069 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -58 | -49.6 | 172.8 | 179.1 | -80.1 | 0 | 0 | 0 | 111.6 | V16 W52 R53 A58 L59 H60 D68 H235 | V16-H56 HydrophobicContact CG2-CB 3.71Å; W52-H56 WeakPolarHBondContact O-CB 3.42Å; W52-H56 PolarHBondContact O-N 3.2Å; R53-H56 PolarHBondContact O-N 3.05Å; H56-A58 VanDerWaalsContact C-N 3.28Å; H56-A58 PolarHBondContact O-N 2.89Å; H56-L59 PolarHBondContact O-N 2.97Å; H56-H60 AromaticContact CD2-CD2 3.53Å; H56-H60 AromaticContact CD2-NE2 3.97Å; H56-H60 AromaticContact CE1-CD2 3.87Å; H56-H60 AromaticContact CG-CD2 3.85Å; H56-H60 AromaticContact NE2-CD2 3.56Å; H56-H60 PolarHBondContact O-CD2 3.31Å; H56-H60 PolarHBondContact O-N 3.12Å; H56-D68 IonicContact CD2-OD2 3.62Å; H56-D68 PolarHBondContact NE2-O 3.07Å; H56-H235 AromaticContact CD2-CE1 3.74Å; H56-H235 AromaticContact CE1-CE1 3.42Å; H56-H235 PolarHBondContact CE1-CE1 3.33Å; H56-H235 VanDerWaalsContact CE1-CE1 3.42Å; H56-H235 AromaticContact CE1-NE2 3.51Å; H56-H235 AromaticContact CG-CE1 3.51Å; H56-H235 AromaticContact CG-NE2 3.92Å; H56-H235 AromaticContact ND1-CE1 3.32Å; H56-H235 PolarHBondContact ND1-CE1 3.32Å; H56-H235 VanDerWaalsContact ND1-CE1 3.32Å; H56-H235 AromaticContact ND1-NE2 3.29Å; H56-H235 PolarHBondContact ND1-NE2 3.24Å; H56-H235 AromaticContact NE2-CE1 3.67Å |
| 57 | A | 94.4 | Very high | 93.7 | Very high | 64 Ų | 64 | 69 Ų | 69 | 53% | 0.529 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -60.9 | -37.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | R53 K61 | R53-A57 WeakPolarHBondContact O-CB 3.44Å; R53-A57 PolarHBondContact O-N 3.5Å; A57-K61 PolarHBondContact O-N 2.76Å |
| 58 | A | 94.8 | Very high | 93.6 | Very high | 71 Ų | 71 | 66.2 Ų | 66.2 | 59% | 0.587 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -70.2 | -41.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | K54 F55 H56 | K54-A58 PolarHBondContact O-N 2.98Å; K54-A58 VanDerWaalsContact O-N 3.14Å; F55-A58 PolarHBondContact O-N 3.48Å; H56-A58 VanDerWaalsContact C-N 3.28Å; H56-A58 PolarHBondContact O-N 2.89Å |
| 59 | L | 94.9 | Very high | 93.5 | Very high | 56 Ų | 56 | 65.4 Ų | 65.4 | 29% | 0.293 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -71.4 | -37.2 | -176.9 | -173.5 | 63.7 | 0 | 0 | 0 | 112.8 | V16 F55 H56 | V16-L59 HydrophobicContact CG2-CD2 4.06Å; F55-L59 HydrophobicContact CE1-CD2 4.18Å; F55-L59 VanDerWaalsContact O-CB 3.3Å; F55-L59 WeakPolarHBondContact O-CB 3.5Å; F55-L59 PolarHBondContact O-N 3.41Å; H56-L59 PolarHBondContact O-N 2.97Å |
| 60 | H | 94.1 | Very high | 93.6 | Very high | 19 Ų | 19 | 65.6 Ų | 65.6 | 9% | 0.088 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | 21.3 | -174.5 | -62.6 | -73.6 | 0 | 0 | 0 | 113.5 | S14 H56 D62 N63 T66 D68 | S14-H60 PolarHBondContact O-CE1 2.96Å; H56-H60 AromaticContact CD2-CD2 3.53Å; H56-H60 AromaticContact CD2-NE2 3.97Å; H56-H60 AromaticContact CE1-CD2 3.87Å; H56-H60 AromaticContact CG-CD2 3.85Å; H56-H60 AromaticContact NE2-CD2 3.56Å; H56-H60 PolarHBondContact O-CD2 3.31Å; H56-H60 PolarHBondContact O-N 3.12Å; H60-D62 PolarHBondContact O-N 2.97Å; H60-D62 VanDerWaalsContact O-N 3.07Å; H60-N63 CarbonylContact O-C 3.58Å; H60-N63 PolarHBondContact O-N 2.78Å; H60-T66 HydrophobicContact CB-CG2 3.91Å; H60-T66 PolarHBondContact CE1-OG1 2.84Å; H60-T66 PolarHBondContact ND1-OG1 3.2Å; H60-D68 IonicContact CD2-OD2 3.02Å; H60-D68 IonicContact CE1-OD2 2.72Å; H60-D68 WeakPolarHBondContact NE2-CB 3.43Å; H60-D68 IonicContact NE2-OD2 2.83Å; H60-D68 PolarHBondContact NE2-OD2 2.83Å |
| 61 | K | 90.6 | Very high | 93.6 | Very high | 169 Ų | 169 | 64 Ų | 64 | 74% | 0.735 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.5 | -37 | -179.2 | -172.6 | -176.5 | 176.3 | -171.3 | 0 | 112.9 | A57 | A57-K61 PolarHBondContact O-N 2.76Š|
| 62 | D | 90.1 | Very high | 93.6 | Very high | 155 Ų | 155 | 61.6 Ų | 61.6 | 83% | 0.829 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.7 | 6.9 | -178.2 | -53 | -45.7 | 0 | 0 | 0 | 113.5 | H60 | H60-D62 PolarHBondContact O-N 2.97Å; H60-D62 VanDerWaalsContact O-N 3.07Å |
| 63 | N | 88.6 | Confident | 93.6 | Very high | 46 Ų | 46 | 61.3 Ų | 61.3 | 25% | 0.246 | 34% | 0.339 | C | S | . | . | trans | -135.2 | 76.8 | -179.9 | -175.3 | 9 | 0 | 0 | 0 | 111.9 | H60 T65 T66 | H60-N63 CarbonylContact O-C 3.58Å; H60-N63 PolarHBondContact O-N 2.78Å; N63-T65 PolarHBondContact O-N 3.44Å; N63-T65 PolarHBondContact OD1-N 2.95Å; N63-T65 PolarHBondContact OD1-OG1 3.38Å; N63-T65 VanDerWaalsContact OD1-OG1 3.12Å; N63-T66 WeakPolarHBondContact O-CB 3.34Å; N63-T66 PolarHBondContact O-N 2.93Å; N63-T66 PolarHBondContact OD1-N 3.1Å | ||
| 64 | P | 78.8 | Confident | 93.7 | Very high | 125 Ų | 125 | 59.9 Ų | 59.9 | 81% | 0.812 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -18 | -178.6 | 28.1 | -35.1 | 0 | 0 | 0 | 113.5 | T66 | P64-T66 VanDerWaalsContact C-N 3.31Š|
| 65 | T | 85.4 | Confident | 93.7 | Very high | 120 Ų | 120 | 52.9 Ų | 52.9 | 74% | 0.736 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | 12.3 | 178.7 | 51.6 | 0 | 0 | 0 | 0 | 113.7 | N63 | N63-T65 PolarHBondContact O-N 3.44Å; N63-T65 PolarHBondContact OD1-N 2.95Å; N63-T65 PolarHBondContact OD1-OG1 3.38Å; N63-T65 VanDerWaalsContact OD1-OG1 3.12Å |
| 66 | T | 90.8 | Very high | 93.8 | Very high | 28 Ų | 28 | 49 Ų | 49 | 17% | 0.172 | 29% | 0.285 | C | S | . | . | trans | -57.2 | 141.6 | -179.2 | -171.5 | 0 | 0 | 0 | 0 | 112.3 | H60 N63 P64 D68 | H60-T66 HydrophobicContact CB-CG2 3.91Å; H60-T66 PolarHBondContact CE1-OG1 2.84Å; H60-T66 PolarHBondContact ND1-OG1 3.2Å; N63-T66 WeakPolarHBondContact O-CB 3.34Å; N63-T66 PolarHBondContact O-N 2.93Å; N63-T66 PolarHBondContact OD1-N 3.1Å; P64-T66 VanDerWaalsContact C-N 3.31Å; T66-D68 WeakPolarHBondContact OG1-CB 3.06Å; T66-D68 PolarHBondContact OG1-N 2.67Å | ||
| 67 | T | 92.3 | Very high | 93.9 | Very high | 70 Ų | 70 | 48.5 Ų | 48.5 | 43% | 0.429 | 28% | 0.283 | S | S | . | . | trans | -94.2 | -1.8 | 172.3 | 62.7 | 0 | 0 | 0 | 0 | 112.5 | R232 | T67-R232 VanDerWaalsContact CG2-NH2 3.3Š| ||
| 68 | D | 95.8 | Very high | 94 | Very high | 22 Ų | 22 | 45.8 Ų | 45.8 | 12% | 0.118 | 26% | 0.26 | C | S | . | . | trans | -65 | 139.1 | 177.3 | -171.6 | 28.1 | 0 | 0 | 0 | 110.8 | S15 V16 H56 H60 T66 | S15-D68 WeakPolarHBondContact CA-OD2 3.5Å; V16-D68 WeakPolarHBondContact CG2-OD2 3.37Å; V16-D68 PolarHBondContact N-OD2 2.84Å; H56-D68 IonicContact CD2-OD2 3.62Å; H56-D68 PolarHBondContact NE2-O 3.07Å; H60-D68 IonicContact CD2-OD2 3.02Å; H60-D68 IonicContact CE1-OD2 2.72Å; H60-D68 WeakPolarHBondContact NE2-CB 3.43Å; H60-D68 IonicContact NE2-OD2 2.83Å; H60-D68 PolarHBondContact NE2-OD2 2.83Å; T66-D68 WeakPolarHBondContact OG1-CB 3.06Å; T66-D68 PolarHBondContact OG1-N 2.67Å | ||
| 69 | S | 96.3 | Very high | 94 | Very high | 4 Ų | 4 | 42.7 Ų | 42.7 | 3% | 0.028 | 23% | 0.234 | C | C | . | . | trans | -154.1 | -178 | -173.9 | 73.3 | 0 | 0 | 0 | 0 | 111.3 | Y71 P72 | S69-Y71 PolarHBondContact O-N 2.89Å; S69-Y71 VanDerWaalsContact OG-CB 3.32Å; S69-Y71 WeakPolarHBondContact OG-CB 3.43Å; S69-Y71 PolarHBondContact OG-N 2.84Å; S69-P72 WeakPolarHBondContact O-CD 3.42Å | ||
| 70 | F | 98.2 | Very high | 93.8 | Very high | 4 Ų | 4 | 42.2 Ų | 42.2 | 2% | 0.018 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -73.5 | -2.2 | 174.8 | -166.5 | -112.9 | 0 | 0 | 0 | 113.6 | F48 I49 W52 A73 M74 I77 F213 | F48-F70 HydrophobicContact CD1-CE2 4.06Å; F48-F70 AromaticContact CD1-CZ 3.97Å; F48-F70 HydrophobicContact CD1-CZ 3.97Å; F48-F70 AromaticContact CE1-CE2 3.78Å; F48-F70 HydrophobicContact CE1-CE2 3.78Å; F48-F70 AromaticContact CE1-CZ 3.88Å; F48-F70 HydrophobicContact CE1-CZ 3.88Å; I49-F70 HydrophobicContact CD1-CE1 4.32Å; I49-F70 HydrophobicContact CD1-CZ 4.49Å; I49-F70 HydrophobicContact CG1-CE1 3.81Å; I49-F70 HydrophobicContact CG1-CE2 4.1Å; I49-F70 HydrophobicContact CG1-CZ 3.57Å; W52-F70 HydrophobicContact CB-CD2 3.99Å; W52-F70 HydrophobicContact CB-CE2 4.03Å; W52-F70 AromaticContact CD1-CD2 3.75Å; W52-F70 AromaticContact CD2-CD2 3.48Å; W52-F70 HydrophobicContact CD2-CD2 3.48Å; W52-F70 VanDerWaalsContact CD2-CD2 3.48Å; W52-F70 AromaticContact CD2-CE2 3.78Å; W52-F70 HydrophobicContact CD2-CE2 3.78Å; W52-F70 AromaticContact CE2-CD2 3.77Å; W52-F70 AromaticContact CE3-CD2 3.98Å; W52-F70 HydrophobicContact CE3-CD2 3.98Å; W52-F70 AromaticContact CE3-CE2 3.83Å; W52-F70 HydrophobicContact CE3-CE2 3.83Å; W52-F70 AromaticContact CG-CD2 3.48Å; W52-F70 HydrophobicContact CG-CD2 3.48Å; W52-F70 VanDerWaalsContact CG-CD2 3.48Å; W52-F70 AromaticContact CG-CE2 3.9Å; W52-F70 HydrophobicContact CG-CE2 3.9Å; W52-F70 HydrophobicContact CZ2-CD2 4.48Å; W52-F70 AromaticContact NE1-CD2 3.92Å; F70-A73 HydrophobicContact CD2-CB 4.1Å; F70-A73 HydrophobicContact CE1-CB 4.3Å; F70-A73 HydrophobicContact CE2-CB 3.66Å; F70-A73 HydrophobicContact CZ-CB 3.77Å; F70-A73 PolarHBondContact O-N 3.09Å; F70-A73 VanDerWaalsContact O-N 3.15Å; F70-M74 HydrophobicContact CD1-CB 3.91Å; F70-M74 HydrophobicContact CD1-CE 3.89Å; F70-M74 HydrophobicContact CE1-CB 4.21Å; F70-M74 HydrophobicContact CE1-CE 4.01Å; F70-M74 WeakPolarHBondContact O-CB 3.5Å; F70-M74 PolarHBondContact O-N 2.96Å; F70-I77 HydrophobicContact CE1-CD1 3.97Å; F70-I77 HydrophobicContact CZ-CD1 3.81Å; F70-F213 HydrophobicContact CB-CD2 4.49Å; F70-F213 HydrophobicContact CB-CE2 3.66Å; F70-F213 HydrophobicContact CB-CZ 4.29Å; F70-F213 AromaticContact CD1-CD2 3.83Å; F70-F213 HydrophobicContact CD1-CD2 3.83Å; F70-F213 AromaticContact CD1-CE2 3.86Å; F70-F213 HydrophobicContact CD1-CE2 3.86Å; F70-F213 HydrophobicContact CE1-CD2 4.49Å; F70-F213 HydrophobicContact CG-CD2 4.37Å; F70-F213 AromaticContact CG-CE2 3.99Å; F70-F213 HydrophobicContact CG-CE2 3.99Å |
| 71 | Y | 98 | Very high | 93.8 | Very high | 20 Ų | 20 | 41.7 Ų | 41.7 | 8% | 0.078 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -51.8 | -46.4 | -175.3 | 174.1 | -117.6 | 0 | 0 | 0 | 114.6 | S69 A73 M74 R75 E82 E84 L227 N228 | S69-Y71 PolarHBondContact O-N 2.89Å; S69-Y71 VanDerWaalsContact OG-CB 3.32Å; S69-Y71 WeakPolarHBondContact OG-CB 3.43Å; S69-Y71 PolarHBondContact OG-N 2.84Å; Y71-A73 VanDerWaalsContact C-N 3.26Å; Y71-A73 PolarHBondContact O-N 2.72Å; Y71-M74 PolarHBondContact O-N 3.26Å; Y71-M74 VanDerWaalsContact O-N 3.17Å; Y71-R75 HydrophobicContact CD2-CB 4.41Å; Y71-R75 HydrophobicContact CE2-CB 3.91Å; Y71-R75 HydrophobicContact CE2-CG 4.47Å; Y71-R75 WeakPolarHBondContact O-CG 3.38Å; Y71-R75 PolarHBondContact O-N 2.82Å; Y71-R75 PolarHBondContact OH-NE 3.41Å; Y71-R75 PolarHBondContact OH-NH2 3.03Å; Y71-E82 PolarHBondContact OH-OE1 2.63Å; Y71-E82 PolarHBondContact OH-OE2 2.98Å; Y71-E84 WeakPolarHBondContact CE1-OE2 3.4Å; Y71-E84 PolarHBondContact OH-OE2 3.48Å; Y71-E84 VanDerWaalsContact OH-OE2 3.08Å; Y71-L227 HydrophobicContact CD2-CB 3.85Å; Y71-L227 HydrophobicContact CE2-CB 3.74Å; Y71-N228 HydrophobicContact CD1-CB 3.93Å; Y71-N228 VanDerWaalsContact CD2-CA 3.46Å; Y71-N228 HydrophobicContact CD2-CB 3.76Å; Y71-N228 HydrophobicContact CE1-CB 4.05Å; Y71-N228 HydrophobicContact CE2-CB 3.92Å; Y71-N228 HydrophobicContact CG-CB 3.78Å |
| 72 | P | 98.1 | Very high | 93.6 | Very high | 26 Ų | 26 | 33.8 Ų | 33.8 | 17% | 0.169 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.8 | -32 | -178.7 | -25.9 | 37.2 | 0 | 0 | 0 | 113.9 | A17 S69 L76 I151 N155 | A17-P72 HydrophobicContact CB-CB 3.6Å; A17-P72 HydrophobicContact CB-CG 3.78Å; S69-P72 WeakPolarHBondContact O-CD 3.42Å; P72-L76 WeakPolarHBondContact O-CG 3.47Å; P72-I151 HydrophobicContact CB-CG2 4.02Å; P72-N155 PolarHBondContact O-ND2 3.18Å |
| 73 | A | 98.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -81.3 | -45 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | F48 W52 F70 Y71 R75 L76 I77 | F48-A73 HydrophobicContact CE1-CB 4.27Å; W52-A73 HydrophobicContact CE3-CB 4.19Å; W52-A73 HydrophobicContact CH2-CB 3.87Å; W52-A73 HydrophobicContact CZ3-CB 3.64Å; F70-A73 HydrophobicContact CD2-CB 4.1Å; F70-A73 HydrophobicContact CE1-CB 4.3Å; F70-A73 HydrophobicContact CE2-CB 3.66Å; F70-A73 HydrophobicContact CZ-CB 3.77Å; F70-A73 PolarHBondContact O-N 3.09Å; F70-A73 VanDerWaalsContact O-N 3.15Å; Y71-A73 VanDerWaalsContact C-N 3.26Å; Y71-A73 PolarHBondContact O-N 2.72Å; A73-R75 VanDerWaalsContact C-N 3.32Å; A73-R75 PolarHBondContact O-N 3.37Å; A73-L76 WeakPolarHBondContact O-CB 3.4Å; A73-L76 PolarHBondContact O-N 2.89Å; A73-I77 HydrophobicContact CB-CD1 4.49Å; A73-I77 WeakPolarHBondContact O-CG1 3.36Å; A73-I77 PolarHBondContact O-N 3.26Å |
| 74 | M | 98.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -55.4 | -45 | -179.1 | -174.8 | 61.3 | 82.2 | 0 | 0 | 112 | F70 Y71 L76 I77 V78 V209 L210 F213 L227 | F70-M74 HydrophobicContact CD1-CB 3.91Å; F70-M74 HydrophobicContact CD1-CE 3.89Å; F70-M74 HydrophobicContact CE1-CB 4.21Å; F70-M74 HydrophobicContact CE1-CE 4.01Å; F70-M74 WeakPolarHBondContact O-CB 3.5Å; F70-M74 PolarHBondContact O-N 2.96Å; Y71-M74 PolarHBondContact O-N 3.26Å; Y71-M74 VanDerWaalsContact O-N 3.17Å; M74-L76 PolarHBondContact O-N 3.07Å; M74-I77 PolarHBondContact O-N 3.35Å; M74-I77 VanDerWaalsContact O-N 3.09Å; M74-V78 HydrophobicContact CG-CG2 3.97Å; M74-V78 WeakPolarHBondContact O-CG2 3.35Å; M74-V78 PolarHBondContact O-N 3.16Å; M74-V78 HydrophobicContact SD-CG2 3.69Å; M74-V209 HydrophobicContact CE-CG1 4.38Å; M74-V209 HydrophobicContact SD-CG1 3.81Å; M74-L210 HydrophobicContact CE-CD2 4.25Å; M74-L210 HydrophobicContact SD-CD2 4.23Å; M74-F213 HydrophobicContact CE-CB 3.63Å; M74-F213 HydrophobicContact CE-CD1 4.16Å; M74-F213 HydrophobicContact CE-CD2 3.92Å; M74-F213 HydrophobicContact CE-CG 3.62Å; M74-L227 HydrophobicContact CG-CD1 4.42Å; M74-L227 HydrophobicContact CG-CD2 4.09Å |
| 75 | R | 97.4 | Very high | 94.1 | Very high | 13 Ų | 13 | 28 Ų | 28 | 5% | 0.049 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.7 | -23.6 | 178.6 | 70.1 | -168.8 | -55.4 | -153.9 | 8.5 | 114.4 | Y71 A73 P79 E82 R85 N155 D159 | Y71-R75 HydrophobicContact CD2-CB 4.41Å; Y71-R75 HydrophobicContact CE2-CB 3.91Å; Y71-R75 HydrophobicContact CE2-CG 4.47Å; Y71-R75 WeakPolarHBondContact O-CG 3.38Å; Y71-R75 PolarHBondContact O-N 2.82Å; Y71-R75 PolarHBondContact OH-NE 3.41Å; Y71-R75 PolarHBondContact OH-NH2 3.03Å; A73-R75 VanDerWaalsContact C-N 3.32Å; A73-R75 PolarHBondContact O-N 3.37Å; R75-P79 WeakPolarHBondContact O-CA 3.39Å; R75-E82 WeakPolarHBondContact CB-OE2 3.27Å; R75-E82 IonicContact CZ-OE1 2.71Å; R75-E82 IonicContact CZ-OE2 3.81Å; R75-E82 IonicContact NE-OE1 3.05Å; R75-E82 IonicContact NE-OE2 3.89Å; R75-E82 PolarHBondContact NE-OE2 2.66Å; R75-E82 IonicContact NH2-OE1 2.63Å; R75-E82 PolarHBondContact NH2-OE1 2.75Å; R75-E82 IonicContact NH2-OE2 2.81Å; R75-E82 PolarHBondContact NH2-OE2 3.27Å; R75-R85 VanDerWaalsContact CZ-NH2 3.34Å; R75-N155 VanDerWaalsContact CD-OD1 3.26Å; R75-N155 WeakPolarHBondContact CD-OD1 3.42Å; R75-N155 WeakPolarHBondContact CG-OD1 3.45Å; R75-D159 IonicContact NH1-OD1 2.89Å; R75-D159 IonicContact NH1-OD2 2.69Å; R75-D159 PolarHBondContact NH1-OD2 3.39Å; R75-D159 IonicContact NH2-OD1 3.77Å |
| 76 | L | 98.1 | Very high | 94.2 | Very high | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.01 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -86.7 | -29.3 | 174.1 | -61 | -178.8 | 0 | 0 | 0 | 112.4 | F22 L25 P72 A73 M74 P79 I151 V154 L158 M195 M200 | F22-L76 HydrophobicContact CD2-CD1 4.48Å; F22-L76 HydrophobicContact CE2-CD1 4.14Å; L25-L76 HydrophobicContact CD2-CB 4.06Å; L25-L76 HydrophobicContact CD2-CD1 4Å; P72-L76 WeakPolarHBondContact O-CG 3.47Å; A73-L76 WeakPolarHBondContact O-CB 3.4Å; A73-L76 PolarHBondContact O-N 2.89Å; M74-L76 PolarHBondContact O-N 3.07Å; L76-P79 WeakPolarHBondContact O-CD 3.25Å; L76-I151 HydrophobicContact CD1-CG2 4.11Å; L76-V154 HydrophobicContact CD1-CG1 4.16Å; L76-L158 HydrophobicContact CD2-CD1 3.76Å; L76-M195 HydrophobicContact CB-CE 3.88Å; L76-M195 HydrophobicContact CB-CG 4.46Å; L76-M195 HydrophobicContact CB-SD 3.89Å; L76-M195 HydrophobicContact CD1-SD 4.34Å; L76-M195 HydrophobicContact CD2-SD 3.95Å; L76-M195 HydrophobicContact CG-SD 4.27Å; L76-M200 WeakPolarHBondContact O-CE 3.35Å |
| 77 | I | 98.1 | Very high | 94.2 | Very high | 5 Ų | 5 | 27.9 Ų | 27.9 | 3% | 0.026 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -75.9 | -40.6 | 177.1 | -62.2 | 164.6 | 0 | 0 | 0 | 111 | L25 L29 L45 F70 A73 M74 P79 L202 V209 | L25-I77 HydrophobicContact CD1-CD1 4.05Å; L25-I77 HydrophobicContact CD1-CG1 3.86Å; L29-I77 HydrophobicContact CD2-CG1 4.36Å; L45-I77 HydrophobicContact CD1-CD1 4.18Å; F70-I77 HydrophobicContact CE1-CD1 3.97Å; F70-I77 HydrophobicContact CZ-CD1 3.81Å; A73-I77 HydrophobicContact CB-CD1 4.49Å; A73-I77 WeakPolarHBondContact O-CG1 3.36Å; A73-I77 PolarHBondContact O-N 3.26Å; M74-I77 PolarHBondContact O-N 3.35Å; M74-I77 VanDerWaalsContact O-N 3.09Å; I77-P79 WeakPolarHBondContact O-CD 3.13Å; I77-L202 HydrophobicContact CG2-CD1 4.33Å; I77-V209 HydrophobicContact CG2-CG1 3.76Å; I77-V209 HydrophobicContact CG2-CG2 4.23Å |
| 78 | V | 96.6 | Very high | 94.1 | Very high | 6 Ų | 6 | 25.1 Ų | 25.1 | 4% | 0.036 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -121.3 | 61.6 | 178.1 | -72.4 | 0 | 0 | 0 | 0 | 112.2 | M74 S80 F81 K206 V209 L227 | M74-V78 HydrophobicContact CG-CG2 3.97Å; M74-V78 WeakPolarHBondContact O-CG2 3.35Å; M74-V78 PolarHBondContact O-N 3.16Å; M74-V78 HydrophobicContact SD-CG2 3.69Å; V78-S80 PolarHBondContact O-N 3.33Å; V78-F81 HydrophobicContact CB-CB 4.4Å; V78-F81 HydrophobicContact CB-CD2 4.2Å; V78-F81 HydrophobicContact CG2-CB 4.31Å; V78-F81 HydrophobicContact CG2-CD2 4.23Å; V78-F81 WeakPolarHBondContact O-CB 3.38Å; V78-F81 PolarHBondContact O-N 3.28Å; V78-K206 HydrophobicContact CG1-CB 3.9Å; V78-V209 HydrophobicContact CG1-CB 3.88Å; V78-V209 HydrophobicContact CG1-CG1 3.85Å; V78-V209 HydrophobicContact CG1-CG2 4.05Å; V78-L227 HydrophobicContact CG2-CD1 3.95Å; V78-L227 HydrophobicContact CG2-CD2 4.2Å |
| 79 | P | 95.3 | Very high | 93.8 | Very high | 6 Ų | 6 | 26.1 Ų | 26.1 | 4% | 0.039 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -13.5 | -173.1 | 29.7 | -38.6 | 0 | 0 | 0 | 114.3 | R75 L76 I77 F81 E82 K198 M200 | R75-P79 WeakPolarHBondContact O-CA 3.39Å; L76-P79 WeakPolarHBondContact O-CD 3.25Å; I77-P79 WeakPolarHBondContact O-CD 3.13Å; P79-F81 VanDerWaalsContact C-N 3.31Å; P79-E82 WeakPolarHBondContact O-CB 3.38Å; P79-K198 HydrophobicContact CB-CB 4.37Å; P79-K198 HydrophobicContact CB-CG 4.18Å; P79-K198 HydrophobicContact CG-CB 4.34Å; P79-K198 VanDerWaalsContact O-CD 3.31Å; P79-K198 WeakPolarHBondContact O-CD 3.46Å; P79-M200 HydrophobicContact CG-CG 3.82Å; P79-M200 HydrophobicContact CG-SD 4.1Å |
| 80 | S | 91.5 | Very high | 93.6 | Very high | 47 Ų | 47 | 26.4 Ų | 26.4 | 33% | 0.329 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -21.9 | 171.8 | 69.4 | 0 | 0 | 0 | 0 | 113.7 | V78 R83 | V78-S80 PolarHBondContact O-N 3.33Å; S80-R83 PolarHBondContact O-NH1 2.82Å |
| 81 | F | 92.6 | Very high | 93.3 | Very high | 7 Ų | 7 | 32.7 Ų | 32.7 | 3% | 0.031 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -9.8 | 176.2 | -77.5 | -12.6 | 0 | 0 | 0 | 113.6 | V78 P79 K206 L210 Y221 L227 | V78-F81 HydrophobicContact CB-CB 4.4Å; V78-F81 HydrophobicContact CB-CD2 4.2Å; V78-F81 HydrophobicContact CG2-CB 4.31Å; V78-F81 HydrophobicContact CG2-CD2 4.23Å; V78-F81 WeakPolarHBondContact O-CB 3.38Å; V78-F81 PolarHBondContact O-N 3.28Å; P79-F81 VanDerWaalsContact C-N 3.31Å; F81-K206 HydrophobicContact CD1-CD 3.99Å; F81-K206 HydrophobicContact CD2-CB 4.32Å; F81-K206 HydrophobicContact CE1-CD 3.35Å; F81-K206 HydrophobicContact CE1-CG 4Å; F81-K206 HydrophobicContact CE2-CB 3.81Å; F81-K206 HydrophobicContact CE2-CD 4.01Å; F81-K206 HydrophobicContact CE2-CG 3.75Å; F81-K206 HydrophobicContact CZ-CB 4.03Å; F81-K206 HydrophobicContact CZ-CD 3.35Å; F81-K206 VanDerWaalsContact CZ-CE 3.42Å; F81-K206 HydrophobicContact CZ-CG 3.43Å; F81-K206 VanDerWaalsContact CZ-CG 3.43Å; F81-L210 HydrophobicContact CD2-CD1 4.14Å; F81-L210 HydrophobicContact CE2-CD1 3.67Å; F81-L210 HydrophobicContact CE2-CG 4.24Å; F81-Y221 WeakPolarHBondContact CA-OH 3.36Å; F81-Y221 HydrophobicContact CB-CE1 4.27Å; F81-Y221 HydrophobicContact CB-CE2 3.96Å; F81-Y221 WeakPolarHBondContact CB-OH 3.38Å; F81-Y221 AromaticContact CD1-CE1 3.55Å; F81-Y221 HydrophobicContact CD1-CE1 3.55Å; F81-Y221 AromaticContact CD1-CZ 3.63Å; F81-Y221 VanDerWaalsContact CD1-OH 3.27Å; F81-Y221 WeakPolarHBondContact CD1-OH 3.34Å; F81-Y221 HydrophobicContact CD2-CD1 4.28Å; F81-Y221 AromaticContact CD2-CE1 3.85Å; F81-Y221 HydrophobicContact CD2-CE1 3.85Å; F81-Y221 HydrophobicContact CD2-CE2 4.43Å; F81-Y221 AromaticContact CD2-CZ 3.94Å; F81-Y221 HydrophobicContact CE1-CD1 4.4Å; F81-Y221 AromaticContact CE1-CE1 3.58Å; F81-Y221 HydrophobicContact CE1-CE1 3.58Å; F81-Y221 HydrophobicContact CE2-CD1 4.13Å; F81-Y221 AromaticContact CE2-CE1 3.94Å; F81-Y221 HydrophobicContact CE2-CE1 3.94Å; F81-Y221 AromaticContact CG-CE1 3.65Å; F81-Y221 HydrophobicContact CG-CE1 3.65Å; F81-Y221 HydrophobicContact CG-CE2 4.19Å; F81-Y221 AromaticContact CG-CZ 3.46Å; F81-Y221 VanDerWaalsContact CG-CZ 3.46Å; F81-Y221 WeakPolarHBondContact CG-OH 3.48Å; F81-Y221 HydrophobicContact CZ-CD1 4.17Å; F81-Y221 AromaticContact CZ-CE1 3.78Å; F81-Y221 HydrophobicContact CZ-CE1 3.78Å; F81-Y221 PolarHBondContact O-OH 3.24Å; F81-L227 HydrophobicContact CB-CD1 3.77Å; F81-L227 HydrophobicContact CB-CD2 4.03Å; F81-L227 HydrophobicContact CB-CG 4.02Å; F81-L227 HydrophobicContact CD2-CD2 4.36Å |
| 82 | E | 87.4 | Confident | 93 | Very high | 4 Ų | 4 | 33.7 Ų | 33.7 | 2% | 0.019 | 19% | 0.188 | C | C | . | . | trans | -63.1 | 133.1 | 175.2 | 179.3 | 49.1 | -127.8 | 0 | 0 | 112.1 | Y71 R75 P79 E84 R85 | Y71-E82 PolarHBondContact OH-OE1 2.63Å; Y71-E82 PolarHBondContact OH-OE2 2.98Å; R75-E82 WeakPolarHBondContact CB-OE2 3.27Å; R75-E82 IonicContact CZ-OE1 2.71Å; R75-E82 IonicContact CZ-OE2 3.81Å; R75-E82 IonicContact NE-OE1 3.05Å; R75-E82 IonicContact NE-OE2 3.89Å; R75-E82 PolarHBondContact NE-OE2 2.66Å; R75-E82 IonicContact NH2-OE1 2.63Å; R75-E82 PolarHBondContact NH2-OE1 2.75Å; R75-E82 IonicContact NH2-OE2 2.81Å; R75-E82 PolarHBondContact NH2-OE2 3.27Å; P79-E82 WeakPolarHBondContact O-CB 3.38Å; E82-E84 WeakPolarHBondContact OE1-CA 3.34Å; E82-E84 VanDerWaalsContact OE1-CB 3.23Å; E82-E84 WeakPolarHBondContact OE1-CB 3.42Å; E82-E84 PolarHBondContact OE1-N 3.13Å; E82-R85 HydrophobicContact CG-CB 3.89Å; E82-R85 PolarHBondContact OE1-N 2.93Å | ||
| 83 | R | 88.1 | Confident | 92.7 | Very high | 65 Ų | 65 | 36 Ų | 36 | 25% | 0.245 | 21% | 0.205 | C | C | . | . | trans | -132.8 | -22.5 | -178.4 | -69.6 | -64 | 176.1 | -76.8 | 0.5 | 114.7 | S80 T225 N300 | S80-R83 PolarHBondContact O-NH1 2.82Å; R83-T225 HydrophobicContact CG-CG2 3.98Å; R83-N300 PolarHBondContact NE-O 3.13Å; R83-N300 VanDerWaalsContact NE-O 3.1Å; R83-N300 PolarHBondContact NH2-O 3.43Å | ||
| 84 | E | 89 | Confident | 92.3 | Very high | 127 Ų | 127 | 40.1 Ų | 40.1 | 59% | 0.593 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -68.1 | -40.4 | 175.8 | -169.1 | -179.8 | 158.7 | 0 | 0 | 110.2 | Y71 E82 | Y71-E84 WeakPolarHBondContact CE1-OE2 3.4Å; Y71-E84 PolarHBondContact OH-OE2 3.48Å; Y71-E84 VanDerWaalsContact OH-OE2 3.08Å; E82-E84 WeakPolarHBondContact OE1-CA 3.34Å; E82-E84 VanDerWaalsContact OE1-CB 3.23Å; E82-E84 WeakPolarHBondContact OE1-CB 3.42Å; E82-E84 PolarHBondContact OE1-N 3.13Å |
| 85 | R | 91.3 | Very high | 92 | Very high | 12 Ų | 12 | 40.2 Ų | 40.2 | 5% | 0.045 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -84.1 | 118.8 | 176.9 | -161.2 | 178.1 | -66.2 | 151.6 | -1.2 | 112.1 | R75 E82 Y88 N155 D159 A162 | R75-R85 VanDerWaalsContact CZ-NH2 3.34Å; E82-R85 HydrophobicContact CG-CB 3.89Å; E82-R85 PolarHBondContact OE1-N 2.93Å; R85-Y88 VanDerWaalsContact CD-CZ 3.47Å; R85-Y88 VanDerWaalsContact CD-OH 3.24Å; R85-Y88 WeakPolarHBondContact CD-OH 3.32Å; R85-Y88 HydrophobicContact CG-CE1 4.23Å; R85-Y88 PolarHBondContact NH1-OH 3.25Å; R85-N155 PolarHBondContact NH2-O 3.01Å; R85-N155 VanDerWaalsContact NH2-O 3.12Å; R85-N155 PolarHBondContact NH2-OD1 2.95Å; R85-D159 IonicContact CZ-OD1 2.69Å; R85-D159 IonicContact CZ-OD2 3.2Å; R85-D159 IonicContact NE-OD1 3.77Å; R85-D159 PolarHBondContact NE-OD1 3.35Å; R85-D159 IonicContact NE-OD2 3.12Å; R85-D159 VanDerWaalsContact NH2-CG 3.3Å; R85-D159 IonicContact NH2-OD1 3.83Å; R85-D159 PolarHBondContact NH2-OD1 3.37Å; R85-D159 VanDerWaalsContact NH2-OD1 3.17Å; R85-D159 IonicContact NH2-OD2 3.32Å; R85-D159 PolarHBondContact NH2-OD2 3.42Å; R85-A162 HydrophobicContact CG-CB 3.34Å |
| 86 | V | 87.3 | Confident | 91.8 | Very high | 77 Ų | 77 | 39.6 Ų | 39.6 | 47% | 0.467 | 22% | 0.224 | S | C | . | . | P | Polyproline II helix | trans | -61.9 | 170.4 | 171.8 | -62.8 | 0 | 0 | 0 | 0 | 112.3 | Y88 A162 A166 | V86-Y88 PolarHBondContact O-N 3.24Å; V86-A162 HydrophobicContact CG2-CB 3.81Å; V86-A162 WeakPolarHBondContact CG2-O 3.45Å; V86-A166 HydrophobicContact CG2-CB 4.09Å |
| 87 | A | 90.3 | Very high | 91.4 | Very high | 69 Ų | 69 | 45.8 Ų | 45.8 | 57% | 0.57 | 25% | 0.25 | S | S | * | . | P | Polyproline II helix | trans | -62.5 | 135.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | G89 N165 | A87-G89 VanDerWaalsContact C-N 3.25Å; A87-G89 PolarHBondContact O-N 3.21Å; A87-N165 PolarHBondContact O-ND2 2.85Å |
| 88 | Y | 91.4 | Very high | 91 | Very high | 12 Ų | 12 | 46 Ų | 46 | 5% | 0.047 | 25% | 0.252 | C | S | . | . | trans | -68.3 | -20.9 | 176.9 | -57.9 | -68.1 | 0 | 0 | 0 | 114.1 | R85 V86 I90 L158 V161 A162 N165 I196 | R85-Y88 VanDerWaalsContact CD-CZ 3.47Å; R85-Y88 VanDerWaalsContact CD-OH 3.24Å; R85-Y88 WeakPolarHBondContact CD-OH 3.32Å; R85-Y88 HydrophobicContact CG-CE1 4.23Å; R85-Y88 PolarHBondContact NH1-OH 3.25Å; V86-Y88 PolarHBondContact O-N 3.24Å; Y88-I90 WeakPolarHBondContact O-CG1 3.37Å; Y88-I90 PolarHBondContact O-N 2.96Å; Y88-L158 HydrophobicContact CE1-CB 3.99Å; Y88-L158 HydrophobicContact CE1-CD2 4Å; Y88-L158 WeakPolarHBondContact CE1-O 3.34Å; Y88-V161 HydrophobicContact CD1-CB 4.31Å; Y88-V161 HydrophobicContact CD1-CG1 3.78Å; Y88-V161 HydrophobicContact CG-CG1 4.46Å; Y88-A162 HydrophobicContact CD1-CB 4.05Å; Y88-A162 HydrophobicContact CE1-CB 4.29Å; Y88-N165 WeakPolarHBondContact O-CB 3.19Å; Y88-I196 HydrophobicContact CD2-CG2 4.2Å; Y88-I196 WeakPolarHBondContact CD2-O 3.21Å | ||
| 89 | G | 89.3 | Confident | 90.6 | Very high | 43 Ų | 43 | 46 Ų | 46 | 44% | 0.443 | 25% | 0.251 | S | S | . | . | trans | 69.3 | 11.6 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | A87 N165 | A87-G89 VanDerWaalsContact C-N 3.25Å; A87-G89 PolarHBondContact O-N 3.21Å; G89-N165 PolarHBondContact N-ND2 3.47Å | ||
| 90 | I | 90.9 | Very high | 90.4 | Very high | 9 Ų | 9 | 46.2 Ų | 46.2 | 5% | 0.046 | 25% | 0.251 | C | S | . | . | trans | -102.5 | 137.4 | -174.6 | -61.2 | 165.9 | 0 | 0 | 0 | 110.8 | Y88 M94 L95 V161 V173 L177 I196 | Y88-I90 WeakPolarHBondContact O-CG1 3.37Å; Y88-I90 PolarHBondContact O-N 2.96Å; I90-M94 HydrophobicContact CB-SD 4.44Å; I90-M94 HydrophobicContact CG1-SD 3.97Å; I90-M94 HydrophobicContact CG2-SD 4.48Å; I90-L95 HydrophobicContact CG2-CD1 3.93Å; I90-L95 HydrophobicContact CG2-CD2 3.68Å; I90-L95 HydrophobicContact CG2-CG 3.47Å; I90-L95 VanDerWaalsContact CG2-CG 3.47Å; I90-V161 HydrophobicContact CD1-CG1 3.6Å; I90-V173 HydrophobicContact CD1-CG1 4.49Å; I90-L177 HydrophobicContact CD1-CD1 3.55Å; I90-L177 HydrophobicContact CD1-CD2 3.76Å; I90-L177 HydrophobicContact CD1-CG 4.12Å; I90-L177 HydrophobicContact CG1-CD1 4.33Å; I90-I196 HydrophobicContact CB-CG2 3.85Å; I90-I196 HydrophobicContact CD1-CG2 4Å; I90-I196 HydrophobicContact CG2-CG2 3.8Å | ||
| 91 | K | 91.4 | Very high | 90.1 | Very high | 136 Ų | 136 | 47.9 Ų | 47.9 | 59% | 0.591 | 26% | 0.257 | S | S | * | . | trans | -130.5 | 169.2 | 172.4 | -66 | -65.3 | -178.6 | -175.3 | 0 | 110.3 | S93 M94 L95 | K91-S93 PolarHBondContact O-N 2.88Å; K91-M94 PolarHBondContact O-N 2.99Å; K91-L95 PolarHBondContact O-N 3.29Å | ||
| 92 | E | 93.3 | Very high | 89.6 | Confident | 41 Ų | 41 | 49.9 Ų | 49.9 | 19% | 0.192 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -52.5 | -40.5 | 180 | -59.9 | 93.6 | 136.3 | 0 | 0 | 112 | M94 L95 A96 Y118 F131 L197 | E92-M94 PolarHBondContact O-N 3.21Å; E92-L95 PolarHBondContact O-N 2.77Å; E92-A96 VanDerWaalsContact O-CB 3.31Å; E92-A96 WeakPolarHBondContact O-CB 3.27Å; E92-A96 PolarHBondContact O-N 2.82Å; E92-Y118 HydrophobicContact CB-CD1 4.34Å; E92-Y118 HydrophobicContact CB-CE1 3.75Å; E92-Y118 HydrophobicContact CG-CE1 3.97Å; E92-Y118 PolarHBondContact OE1-OH 2.96Å; E92-Y118 VanDerWaalsContact OE1-OH 3.11Å; E92-F131 HydrophobicContact CB-CB 4.36Å; E92-F131 HydrophobicContact CB-CD1 4.23Å; E92-F131 HydrophobicContact CB-CD2 4.12Å; E92-F131 HydrophobicContact CB-CG 3.95Å; E92-F131 HydrophobicContact CG-CB 3.89Å; E92-F131 HydrophobicContact CG-CD1 4.15Å; E92-F131 HydrophobicContact CG-CG 3.94Å; E92-L197 HydrophobicContact CG-CD1 3.84Å; E92-L197 HydrophobicContact CG-CD2 4.15Å |
| 93 | S | 90.8 | Very high | 89.4 | Confident | 75 Ų | 75 | 51.6 Ų | 51.6 | 52% | 0.524 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65.6 | -34.8 | 179.1 | 60 | 0 | 0 | 0 | 0 | 113.7 | K91 K97 | K91-S93 PolarHBondContact O-N 2.88Å; S93-K97 WeakPolarHBondContact O-CG 3.31Å; S93-K97 PolarHBondContact O-N 3.4Å |
| 94 | M | 90.1 | Very high | 89.2 | Confident | 86 Ų | 86 | 51.5 Ų | 51.5 | 42% | 0.424 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -73.1 | -44.6 | 175.8 | -178.1 | -177.7 | -74.3 | 0 | 0 | 110.5 | I90 K91 E92 A96 K97 L98 | I90-M94 HydrophobicContact CB-SD 4.44Å; I90-M94 HydrophobicContact CG1-SD 3.97Å; I90-M94 HydrophobicContact CG2-SD 4.48Å; K91-M94 PolarHBondContact O-N 2.99Å; E92-M94 PolarHBondContact O-N 3.21Å; M94-A96 VanDerWaalsContact C-N 3.33Å; M94-A96 PolarHBondContact O-N 3.46Å; M94-K97 PolarHBondContact O-N 3.37Å; M94-L98 WeakPolarHBondContact O-CB 3.49Å; M94-L98 PolarHBondContact O-N 3.42Å |
| 95 | L | 92.7 | Very high | 89.1 | Confident | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.016 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.6 | -42.8 | 175.3 | -70.1 | 172.5 | 0 | 0 | 0 | 111.3 | I90 K91 E92 K97 L98 Y99 F131 I193 L197 | I90-L95 HydrophobicContact CG2-CD1 3.93Å; I90-L95 HydrophobicContact CG2-CD2 3.68Å; I90-L95 HydrophobicContact CG2-CG 3.47Å; I90-L95 VanDerWaalsContact CG2-CG 3.47Å; K91-L95 PolarHBondContact O-N 3.29Å; E92-L95 PolarHBondContact O-N 2.77Å; L95-K97 PolarHBondContact O-N 2.9Å; L95-L98 PolarHBondContact O-N 2.75Å; L95-Y99 HydrophobicContact CB-CD2 4.44Å; L95-Y99 WeakPolarHBondContact O-CB 3.42Å; L95-Y99 WeakPolarHBondContact O-CD2 3.46Å; L95-Y99 PolarHBondContact O-N 3.06Å; L95-F131 HydrophobicContact CB-CE1 3.52Å; L95-F131 HydrophobicContact CB-CZ 3.69Å; L95-F131 HydrophobicContact CD1-CD1 4.47Å; L95-F131 HydrophobicContact CD1-CE1 3.91Å; L95-F131 HydrophobicContact CG-CE1 4.37Å; L95-I193 HydrophobicContact CD1-CG1 4.48Å; L95-I193 HydrophobicContact CD1-CG2 4.08Å; L95-L197 HydrophobicContact CD1-CD2 4.19Å; L95-L197 HydrophobicContact CD1-CG 4.27Å |
| 96 | A | 92.7 | Very high | 89 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -56.9 | -49.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | E92 M94 L98 Y99 I100 L115 L116 F131 | E92-A96 VanDerWaalsContact O-CB 3.31Å; E92-A96 WeakPolarHBondContact O-CB 3.27Å; E92-A96 PolarHBondContact O-N 2.82Å; M94-A96 VanDerWaalsContact C-N 3.33Å; M94-A96 PolarHBondContact O-N 3.46Å; A96-L98 VanDerWaalsContact C-N 3.34Å; A96-L98 PolarHBondContact O-N 2.83Å; A96-Y99 PolarHBondContact O-N 3.28Å; A96-I100 WeakPolarHBondContact O-CB 3.49Å; A96-I100 WeakPolarHBondContact O-CD1 2.94Å; A96-I100 WeakPolarHBondContact O-CG1 3.46Å; A96-I100 PolarHBondContact O-N 2.78Å; A96-L115 HydrophobicContact CB-CB 4.04Å; A96-L116 HydrophobicContact CB-CD2 4Å; A96-F131 HydrophobicContact CB-CE2 3.86Å; A96-F131 HydrophobicContact CB-CZ 4.14Å |
| 97 | K | 90.7 | Very high | 88.9 | Confident | 131 Ų | 131 | 53.7 Ų | 53.7 | 57% | 0.57 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -61.3 | -42.6 | 176.8 | -69.9 | 175.8 | -176.3 | -176.9 | 0 | 111.8 | S93 M94 L95 I100 D101 L116 | S93-K97 WeakPolarHBondContact O-CG 3.31Å; S93-K97 PolarHBondContact O-N 3.4Å; M94-K97 PolarHBondContact O-N 3.37Å; L95-K97 PolarHBondContact O-N 2.9Å; K97-I100 PolarHBondContact O-N 3.49Å; K97-D101 PolarHBondContact O-N 2.83Å; K97-L116 HydrophobicContact CG-CD2 4.15Å |
| 98 | L | 87.9 | Confident | 88.7 | Confident | 11 Ų | 11 | 57.5 Ų | 57.5 | 6% | 0.058 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.4 | -48 | 177.2 | -175.6 | 61.1 | 0 | 0 | 0 | 111.4 | M94 L95 A96 I100 D101 V102 K174 L177 I181 | M94-L98 WeakPolarHBondContact O-CB 3.49Å; M94-L98 PolarHBondContact O-N 3.42Å; L95-L98 PolarHBondContact O-N 2.75Å; A96-L98 VanDerWaalsContact C-N 3.34Å; A96-L98 PolarHBondContact O-N 2.83Å; L98-I100 VanDerWaalsContact C-N 3.33Å; L98-I100 PolarHBondContact O-N 3Å; L98-D101 PolarHBondContact O-N 2.8Å; L98-V102 HydrophobicContact CD1-CG2 3.98Å; L98-V102 HydrophobicContact CG-CG2 4.25Å; L98-V102 WeakPolarHBondContact O-CB 3.49Å; L98-V102 WeakPolarHBondContact O-CG2 3.3Å; L98-V102 PolarHBondContact O-N 3.19Å; L98-K174 HydrophobicContact CD1-CD 4.2Å; L98-K174 HydrophobicContact CD1-CG 3.65Å; L98-L177 HydrophobicContact CD2-CB 3.59Å; L98-L177 HydrophobicContact CD2-CD1 3.74Å; L98-L177 HydrophobicContact CD2-CG 4.31Å; L98-I181 HydrophobicContact CD2-CD1 3.75Å; L98-I181 HydrophobicContact CG-CD1 4.13Å |
| 99 | Y | 89.9 | Confident | 88.5 | Confident | 4 Ų | 4 | 57.4 Ų | 57.4 | 2% | 0.016 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.7 | -38.7 | 177.7 | -86 | -66 | 0 | 0 | 0 | 112.9 | L95 A96 V102 L103 T135 L139 I181 Q189 I193 | L95-Y99 HydrophobicContact CB-CD2 4.44Å; L95-Y99 WeakPolarHBondContact O-CB 3.42Å; L95-Y99 WeakPolarHBondContact O-CD2 3.46Å; L95-Y99 PolarHBondContact O-N 3.06Å; A96-Y99 PolarHBondContact O-N 3.28Å; Y99-V102 PolarHBondContact O-N 2.95Å; Y99-L103 HydrophobicContact CD1-CD1 4.26Å; Y99-L103 WeakPolarHBondContact O-CB 3.48Å; Y99-L103 VanDerWaalsContact O-CG 3.23Å; Y99-L103 WeakPolarHBondContact O-CG 3.27Å; Y99-L103 PolarHBondContact O-N 3.31Å; Y99-T135 HydrophobicContact CD1-CG2 4.14Å; Y99-T135 HydrophobicContact CD2-CG2 3.77Å; Y99-T135 HydrophobicContact CE1-CG2 4.13Å; Y99-T135 HydrophobicContact CE2-CG2 3.77Å; Y99-T135 HydrophobicContact CG-CG2 3.97Å; Y99-L139 HydrophobicContact CD1-CD2 4.03Å; Y99-L139 HydrophobicContact CE1-CD1 3.96Å; Y99-L139 HydrophobicContact CE1-CD2 3.86Å; Y99-L139 HydrophobicContact CE1-CG 4.39Å; Y99-I181 HydrophobicContact CE1-CD1 3.96Å; Y99-I181 HydrophobicContact CE1-CG1 4.07Å; Y99-I181 HydrophobicContact CE1-CG2 3.91Å; Y99-I181 HydrophobicContact CE2-CD1 4.35Å; Y99-Q189 PolarHBondContact OH-OE1 3.48Å; Y99-I193 HydrophobicContact CE2-CD1 3.72Å; Y99-I193 HydrophobicContact CE2-CG1 4.1Å |
| 100 | I | 90.3 | Very high | 88.3 | Confident | 11 Ų | 11 | 60.8 Ų | 60.8 | 6% | 0.056 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.5 | -48 | 174.6 | -71.6 | 162.2 | 0 | 0 | 0 | 110.6 | A96 K97 L98 G104 L105 A112 L115 L116 | A96-I100 WeakPolarHBondContact O-CB 3.49Å; A96-I100 WeakPolarHBondContact O-CD1 2.94Å; A96-I100 WeakPolarHBondContact O-CG1 3.46Å; A96-I100 PolarHBondContact O-N 2.78Å; K97-I100 PolarHBondContact O-N 3.49Å; L98-I100 VanDerWaalsContact C-N 3.33Å; L98-I100 PolarHBondContact O-N 3Å; I100-G104 PolarHBondContact O-N 3.17Å; I100-L105 HydrophobicContact CG1-CD1 4.27Å; I100-L105 HydrophobicContact CG2-CB 4.29Å; I100-L105 PolarHBondContact O-N 3.26Å; I100-A112 HydrophobicContact CD1-CB 3.75Å; I100-A112 HydrophobicContact CG1-CB 3.81Å; I100-A112 HydrophobicContact CG2-CB 4.37Å; I100-L115 HydrophobicContact CG1-CD1 4.23Å; I100-L116 HydrophobicContact CD1-CD1 3.88Å; I100-L116 HydrophobicContact CD1-CD2 4.13Å; I100-L116 HydrophobicContact CD1-CG 3.72Å |
| 101 | D | 84.7 | Confident | 88.2 | Confident | 83 Ų | 83 | 62.5 Ų | 62.5 | 44% | 0.444 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.3 | -49.1 | 178.4 | -72.1 | -6 | 0 | 0 | 0 | 111.3 | K97 L98 G104 K174 | K97-D101 PolarHBondContact O-N 2.83Å; L98-D101 PolarHBondContact O-N 2.8Å; D101-G104 PolarHBondContact O-N 2.96Å; D101-K174 IonicContact OD2-NZ 3.46Å; D101-K174 PolarHBondContact OD2-NZ 3.03Å |
| 102 | V | 82.2 | Confident | 88.1 | Confident | 48 Ų | 48 | 56 Ų | 56 | 29% | 0.291 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -69.7 | -38.4 | -172.8 | 173.1 | 0 | 0 | 0 | 0 | 112.5 | L98 Y99 G104 L178 I181 | L98-V102 HydrophobicContact CD1-CG2 3.98Å; L98-V102 HydrophobicContact CG-CG2 4.25Å; L98-V102 WeakPolarHBondContact O-CB 3.49Å; L98-V102 WeakPolarHBondContact O-CG2 3.3Å; L98-V102 PolarHBondContact O-N 3.19Å; Y99-V102 PolarHBondContact O-N 2.95Å; V102-G104 VanDerWaalsContact C-N 3.26Å; V102-L178 HydrophobicContact CB-CD1 4.18Å; V102-L178 HydrophobicContact CG1-CD1 3.67Å; V102-L178 HydrophobicContact CG2-CD1 3.37Å; V102-I181 HydrophobicContact CG1-CG2 4.03Å |
| 103 | L | 82.8 | Confident | 87.8 | Confident | 41 Ų | 41 | 57.2 Ų | 57.2 | 22% | 0.215 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -2 | 177.9 | -61.5 | 173.2 | 0 | 0 | 0 | 112.5 | Y99 L105 V138 L139 | Y99-L103 HydrophobicContact CD1-CD1 4.26Å; Y99-L103 WeakPolarHBondContact O-CB 3.48Å; Y99-L103 VanDerWaalsContact O-CG 3.23Å; Y99-L103 WeakPolarHBondContact O-CG 3.27Å; Y99-L103 PolarHBondContact O-N 3.31Å; L103-L105 HydrophobicContact CB-CD1 4.41Å; L103-L105 HydrophobicContact CB-CD2 3.96Å; L103-L105 HydrophobicContact CB-CG 3.8Å; L103-L105 HydrophobicContact CD1-CD1 4.21Å; L103-L105 HydrophobicContact CD1-CG 4.46Å; L103-L105 PolarHBondContact O-N 3.18Å; L103-V138 HydrophobicContact CD1-CG1 4.15Å; L103-L139 HydrophobicContact CD1-CD2 3.76Å; L103-L139 HydrophobicContact CD2-CD2 3.85Å; L103-L139 HydrophobicContact CG-CD2 4.3Å |
| 104 | G | 83.6 | Confident | 87.6 | Confident | 62 Ų | 62 | 55.4 Ų | 55.4 | 64% | 0.639 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.8 | 32.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | I100 D101 V102 | I100-G104 PolarHBondContact O-N 3.17Å; D101-G104 PolarHBondContact O-N 2.96Å; V102-G104 VanDerWaalsContact C-N 3.26Å |
| 105 | L | 87.9 | Confident | 87.6 | Confident | 11 Ų | 11 | 51.3 Ų | 51.3 | 6% | 0.058 | 29% | 0.287 | C | S | . | . | trans | -69 | 138.7 | -177.6 | -57.6 | 179.8 | 0 | 0 | 0 | 110 | I100 L103 K107 E111 A112 L115 V138 | I100-L105 HydrophobicContact CG1-CD1 4.27Å; I100-L105 HydrophobicContact CG2-CB 4.29Å; I100-L105 PolarHBondContact O-N 3.26Å; L103-L105 HydrophobicContact CB-CD1 4.41Å; L103-L105 HydrophobicContact CB-CD2 3.96Å; L103-L105 HydrophobicContact CB-CG 3.8Å; L103-L105 HydrophobicContact CD1-CD1 4.21Å; L103-L105 HydrophobicContact CD1-CG 4.46Å; L103-L105 PolarHBondContact O-N 3.18Å; L105-K107 PolarHBondContact O-N 2.94Å; L105-E111 HydrophobicContact CD1-CB 4.21Å; L105-A112 HydrophobicContact CB-CB 4.35Å; L105-L115 HydrophobicContact CD1-CD1 3.97Å; L105-V138 HydrophobicContact CD1-CG1 4.11Å | ||
| 106 | P | 89.1 | Confident | 87.4 | Confident | 91 Ų | 91 | 54.5 Ų | 54.5 | 59% | 0.591 | 30% | 0.304 | S | S | * | . | trans | -55.9 | 125.3 | 171.8 | -23.3 | 32.6 | 0 | 0 | 0 | 109.9 | N108 G109 A112 | P106-N108 PolarHBondContact O-N 2.72Å; P106-G109 WeakPolarHBondContact O-CA 3.44Å; P106-G109 PolarHBondContact O-N 2.94Å; P106-A112 WeakPolarHBondContact O-CB 3.37Å | ||
| 107 | K | 85.2 | Confident | 87.1 | Confident | 161 Ų | 161 | 58.4 Ų | 58.4 | 70% | 0.7 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -33 | -172.9 | -69.3 | -177.3 | 178.1 | 176.6 | 0 | 113.8 | L105 | L105-K107 PolarHBondContact O-N 2.94Š|
| 108 | N | 85.9 | Confident | 86.9 | Confident | 148 Ų | 148 | 53.3 Ų | 53.3 | 79% | 0.791 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.1 | 10.1 | 178 | -60.6 | -24.6 | 0 | 0 | 0 | 113 | P106 N113 | P106-N108 PolarHBondContact O-N 2.72Å; N108-N113 PolarHBondContact O-ND2 3.43Å |
| 109 | G | 86.5 | Confident | 86.8 | Confident | 11 Ų | 11 | 57 Ų | 57 | 11% | 0.113 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -73.3 | 162.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | P106 E111 A112 N113 | P106-G109 WeakPolarHBondContact O-CA 3.44Å; P106-G109 PolarHBondContact O-N 2.94Å; G109-E111 VanDerWaalsContact C-N 3.31Å; G109-E111 PolarHBondContact O-N 3.21Å; G109-A112 PolarHBondContact O-N 2.63Å; G109-N113 WeakPolarHBondContact O-CB 3.4Å; G109-N113 PolarHBondContact O-N 2.86Å; G109-N113 PolarHBondContact O-ND2 3.41Å |
| 110 | P | 86.6 | Confident | 86.4 | Confident | 114 Ų | 114 | 59.1 Ų | 59.1 | 74% | 0.74 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -58.9 | -39.1 | -175.7 | 22.1 | -32.8 | 0 | 0 | 0 | 112.9 | K114 | P110-K114 WeakPolarHBondContact O-CB 3.49Å; P110-K114 PolarHBondContact O-N 2.79Å |
| 111 | E | 87.4 | Confident | 85.5 | Confident | 44 Ų | 44 | 61.1 Ų | 61.1 | 21% | 0.206 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -76.4 | -38.2 | -178.5 | -66 | 170.2 | 145.9 | 0 | 0 | 113.1 | L105 G109 N113 K114 L115 V138 R142 | L105-E111 HydrophobicContact CD1-CB 4.21Å; G109-E111 VanDerWaalsContact C-N 3.31Å; G109-E111 PolarHBondContact O-N 3.21Å; E111-N113 VanDerWaalsContact C-N 3.33Å; E111-K114 WeakPolarHBondContact O-CB 3.45Å; E111-K114 PolarHBondContact O-N 2.88Å; E111-L115 WeakPolarHBondContact O-CG 3.45Å; E111-L115 PolarHBondContact O-N 2.82Å; E111-V138 HydrophobicContact CB-CG1 4.33Å; E111-V138 HydrophobicContact CB-CG2 4.39Å; E111-V138 HydrophobicContact CG-CG2 4.49Å; E111-R142 VanDerWaalsContact CD-CZ 3.49Å; E111-R142 VanDerWaalsContact CD-NH1 3.29Å; E111-R142 IonicContact OE1-CZ 3.69Å; E111-R142 IonicContact OE1-NH1 3.73Å; E111-R142 PolarHBondContact OE1-NH1 2.97Å; E111-R142 IonicContact OE1-NH2 2.98Å; E111-R142 PolarHBondContact OE1-NH2 3.16Å; E111-R142 IonicContact OE2-CZ 3.82Å; E111-R142 IonicContact OE2-NE 3.12Å; E111-R142 IonicContact OE2-NH1 2.66Å; E111-R142 PolarHBondContact OE2-NH1 2.9Å; E111-R142 IonicContact OE2-NH2 2.63Å; E111-R142 PolarHBondContact OE2-NH2 2.87Å |
| 112 | A | 89.4 | Confident | 84.5 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.3 | -45.1 | 173 | 0 | 0 | 0 | 0 | 0 | 110.6 | I100 L105 P106 G109 K114 L115 L116 | I100-A112 HydrophobicContact CD1-CB 3.75Å; I100-A112 HydrophobicContact CG1-CB 3.81Å; I100-A112 HydrophobicContact CG2-CB 4.37Å; L105-A112 HydrophobicContact CB-CB 4.35Å; P106-A112 WeakPolarHBondContact O-CB 3.37Å; G109-A112 PolarHBondContact O-N 2.63Å; A112-K114 VanDerWaalsContact C-N 3.32Å; A112-K114 PolarHBondContact O-N 2.9Å; A112-L115 PolarHBondContact O-N 2.91Å; A112-L116 WeakPolarHBondContact O-CG 3.41Å; A112-L116 PolarHBondContact O-N 3.01Å |
| 113 | N | 86.8 | Confident | 83.1 | Confident | 67 Ų | 67 | 62.5 Ų | 62.5 | 36% | 0.358 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.4 | -37.6 | 173.6 | -76.9 | -33.6 | 0 | 0 | 0 | 112.4 | N108 G109 E111 N117 | N108-N113 PolarHBondContact O-ND2 3.43Å; G109-N113 WeakPolarHBondContact O-CB 3.4Å; G109-N113 PolarHBondContact O-N 2.86Å; G109-N113 PolarHBondContact O-ND2 3.41Å; E111-N113 VanDerWaalsContact C-N 3.33Å; N113-N117 VanDerWaalsContact O-CB 3.29Å; N113-N117 WeakPolarHBondContact O-CB 3.27Å; N113-N117 PolarHBondContact O-N 3.15Å; N113-N117 PolarHBondContact O-ND2 2.78Å |
| 114 | K | 86.6 | Confident | 81.3 | Confident | 36 Ų | 36 | 67.2 Ų | 67.2 | 16% | 0.157 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -63.4 | -41 | 176 | -154.8 | -177 | -166.7 | -150.6 | 0 | 112 | P110 E111 A112 N117 Y118 T122 E127 M134 | P110-K114 WeakPolarHBondContact O-CB 3.49Å; P110-K114 PolarHBondContact O-N 2.79Å; E111-K114 WeakPolarHBondContact O-CB 3.45Å; E111-K114 PolarHBondContact O-N 2.88Å; A112-K114 VanDerWaalsContact C-N 3.32Å; A112-K114 PolarHBondContact O-N 2.9Å; K114-N117 CarbonylContact O-C 3.57Å; K114-Y118 WeakPolarHBondContact O-CA 3.39Å; K114-Y118 PolarHBondContact O-N 2.9Å; K114-Y118 VanDerWaalsContact O-N 3.11Å; K114-T122 VanDerWaalsContact CE-OG1 3.28Å; K114-T122 WeakPolarHBondContact CE-OG1 3.42Å; K114-E127 IonicContact NZ-OE2 2.71Å; K114-E127 PolarHBondContact NZ-OE2 2.92Å; K114-M134 HydrophobicContact CD-CE 4.23Å; K114-M134 HydrophobicContact CD-CG 4.34Å; K114-M134 HydrophobicContact CD-SD 3.29Å; K114-M134 WeakPolarHBondContact CD-SD 3.45Å; K114-M134 WeakPolarHBondContact CE-SD 3.21Å; K114-M134 HydrophobicContact CG-CE 4.05Å; K114-M134 HydrophobicContact CG-CG 4.14Å; K114-M134 HydrophobicContact CG-SD 3.5Å; K114-M134 WeakPolarHBondContact CG-SD 3.1Å; K114-M134 PolarHBondContact NZ-SD 2.9Å |
| 115 | L | 90 | Very high | 79.7 | Confident | 1 Ų | 1 | 70.6 Ų | 70.6 | 1% | 0.005 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -70.8 | -44.6 | 177.5 | -68 | 175.6 | 0 | 0 | 0 | 112.2 | A96 I100 L105 E111 A112 N117 F131 M134 T135 V138 | A96-L115 HydrophobicContact CB-CB 4.04Å; I100-L115 HydrophobicContact CG1-CD1 4.23Å; L105-L115 HydrophobicContact CD1-CD1 3.97Å; E111-L115 WeakPolarHBondContact O-CG 3.45Å; E111-L115 PolarHBondContact O-N 2.82Å; A112-L115 PolarHBondContact O-N 2.91Å; L115-N117 VanDerWaalsContact C-N 3.32Å; L115-N117 PolarHBondContact O-N 3.49Å; L115-F131 HydrophobicContact CD2-CE2 4.28Å; L115-M134 HydrophobicContact CD2-CG 4.44Å; L115-T135 HydrophobicContact CD2-CG2 4.29Å; L115-T135 WeakPolarHBondContact CD2-OG1 3.46Å; L115-V138 HydrophobicContact CD2-CG2 4.27Å; L115-V138 HydrophobicContact CG-CG2 4.46Å |
| 116 | L | 89.7 | Confident | 78.2 | Confident | 70 Ų | 70 | 74.3 Ų | 74.3 | 37% | 0.366 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -66.7 | -35.1 | 179 | -70 | 169.1 | 0 | 0 | 0 | 112.1 | A96 K97 I100 A112 | A96-L116 HydrophobicContact CB-CD2 4Å; K97-L116 HydrophobicContact CG-CD2 4.15Å; I100-L116 HydrophobicContact CD1-CD1 3.88Å; I100-L116 HydrophobicContact CD1-CD2 4.13Å; I100-L116 HydrophobicContact CD1-CG 3.72Å; A112-L116 WeakPolarHBondContact O-CG 3.41Å; A112-L116 PolarHBondContact O-N 3.01Å |
| 117 | N | 87.1 | Confident | 77.2 | Confident | 82 Ų | 82 | 70.6 Ų | 70.6 | 44% | 0.439 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.6 | 41 | -177.6 | -53.7 | -66.6 | 0 | 0 | 0 | 112.1 | N113 K114 L115 R119 T120 | N113-N117 VanDerWaalsContact O-CB 3.29Å; N113-N117 WeakPolarHBondContact O-CB 3.27Å; N113-N117 PolarHBondContact O-N 3.15Å; N113-N117 PolarHBondContact O-ND2 2.78Å; K114-N117 CarbonylContact O-C 3.57Å; L115-N117 VanDerWaalsContact C-N 3.32Å; L115-N117 PolarHBondContact O-N 3.49Å; N117-R119 PolarHBondContact O-N 3.43Å; N117-T120 WeakPolarHBondContact O-CB 3.45Å; N117-T120 PolarHBondContact O-N 3.11Å |
| 118 | Y | 86.2 | Confident | 76.7 | Confident | 24 Ų | 24 | 63.6 Ų | 63.6 | 9% | 0.094 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -16.2 | -171.8 | 80.3 | -88.6 | 0 | 0 | 0 | 115.7 | E92 K114 G129 F131 | E92-Y118 HydrophobicContact CB-CD1 4.34Å; E92-Y118 HydrophobicContact CB-CE1 3.75Å; E92-Y118 HydrophobicContact CG-CE1 3.97Å; E92-Y118 PolarHBondContact OE1-OH 2.96Å; E92-Y118 VanDerWaalsContact OE1-OH 3.11Å; K114-Y118 WeakPolarHBondContact O-CA 3.39Å; K114-Y118 PolarHBondContact O-N 2.9Å; K114-Y118 VanDerWaalsContact O-N 3.11Å; Y118-G129 PolarHBondContact O-N 3.07Å; Y118-F131 HydrophobicContact CD1-CB 4.29Å; Y118-F131 AromaticContact CD1-CD2 3.94Å; Y118-F131 HydrophobicContact CD1-CD2 3.94Å; Y118-F131 HydrophobicContact CD2-CB 3.79Å; Y118-F131 HydrophobicContact CE1-CB 4.45Å; Y118-F131 HydrophobicContact CE2-CB 4Å; Y118-F131 HydrophobicContact CG-CB 3.95Å; Y118-F131 AromaticContact CG-CD2 3.94Å; Y118-F131 HydrophobicContact CG-CD2 3.94Å; Y118-F131 HydrophobicContact CG-CG 4.44Å |
| 119 | R | 84.6 | Confident | 76.5 | Confident | 89 Ų | 89 | 56.7 Ų | 56.7 | 34% | 0.336 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -27.7 | 177.3 | -62.4 | -178.3 | -70.5 | 177.1 | -1.6 | 112.5 | N117 W477 E552 | N117-R119 PolarHBondContact O-N 3.43Å; R119-W477 HydrophobicContact CB-CB 3.78Å; R119-W477 WeakPolarHBondContact O-CB 3.1Å; R119-E552 IonicContact CZ-OE1 3.3Å; R119-E552 IonicContact NE-OE1 2.64Å; R119-E552 IonicContact NH1-OE1 3.99Å; R119-E552 IonicContact NH2-OE1 2.73Å; R119-E552 PolarHBondContact NH2-OE1 3.08Å |
| 120 | T | 81.1 | Confident | 76.6 | Confident | 47 Ų | 47 | 57.3 Ų | 57.3 | 29% | 0.288 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -73 | 127.1 | -179.6 | -53.3 | 0 | 0 | 0 | 0 | 109.4 | N117 T122 | N117-T120 WeakPolarHBondContact O-CB 3.45Å; N117-T120 PolarHBondContact O-N 3.11Å; T120-T122 PolarHBondContact O-N 3.4Å |
| 121 | P | 72.7 | Confident | 76.8 | Confident | 54 Ų | 54 | 52.1 Ų | 52.1 | 35% | 0.351 | 31% | 0.308 | S | S | . | . | trans | -69.9 | 112.6 | 176.3 | 26.5 | -30.7 | 0 | 0 | 0 | 110.3 | A128 W477 | P121-A128 HydrophobicContact CB-CB 4.12Å; P121-W477 HydrophobicContact CG-CD2 4.42Å; P121-W477 HydrophobicContact CG-CE3 4.11Å; P121-W477 HydrophobicContact CG-CH2 3.82Å; P121-W477 HydrophobicContact CG-CZ2 4.13Å; P121-W477 HydrophobicContact CG-CZ3 3.81Å | ||
| 122 | T | 63.7 | Low | 77.1 | Confident | 78 Ų | 78 | 50.1 Ų | 50.1 | 48% | 0.479 | 30% | 0.298 | S | S | . | . | trans | -102.6 | -14.1 | 178.5 | 58.2 | 0 | 0 | 0 | 0 | 113.6 | K114 T120 | K114-T122 VanDerWaalsContact CE-OG1 3.28Å; K114-T122 WeakPolarHBondContact CE-OG1 3.42Å; T120-T122 PolarHBondContact O-N 3.4Å | ||
| 123 | T | 52 | Low | 77.2 | Confident | 82 Ų | 82 | 52.2 Ų | 52.2 | 50% | 0.503 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -153.2 | 152.7 | -175.6 | 33.9 | 0 | 0 | 0 | 0 | 111.1 | Q125 | T123-Q125 PolarHBondContact O-N 3.48Š|
| 124 | S | 46.1 | Very low | 77.3 | Confident | 139 Ų | 139 | 49.2 Ų | 49.2 | 97% | 0.972 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -64.4 | -4 | -177.5 | -34.7 | 0 | 0 | 0 | 0 | 115.7 | ||
| 125 | Q | 49.5 | Very low | 77.6 | Confident | 133 Ų | 133 | 47.5 Ų | 47.5 | 62% | 0.621 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -88.7 | 128 | 174.1 | -63.7 | -169.7 | -12.8 | 0 | 0 | 108.3 | T123 E127 | T123-Q125 PolarHBondContact O-N 3.48Å; Q125-E127 HydrophobicContact CB-CG 4.16Å; Q125-E127 PolarHBondContact O-N 3.32Å; Q125-E127 PolarHBondContact OE1-OE1 3.16Å |
| 126 | G | 56.7 | Low | 77.7 | Confident | 90 Ų | 90 | 49.6 Ų | 49.6 | 93% | 0.928 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -64.6 | 49.7 | -173.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 127 | E | 67.1 | Low | 77.6 | Confident | 13 Ų | 13 | 49.7 Ų | 49.7 | 6% | 0.061 | 29% | 0.292 | C | S | . | . | trans | -92.1 | -17.3 | -177.3 | -58.7 | 175.5 | 168.1 | 0 | 0 | 112.8 | K114 Q125 G129 D130 M134 F137 | K114-E127 IonicContact NZ-OE2 2.71Å; K114-E127 PolarHBondContact NZ-OE2 2.92Å; Q125-E127 HydrophobicContact CB-CG 4.16Å; Q125-E127 PolarHBondContact O-N 3.32Å; Q125-E127 PolarHBondContact OE1-OE1 3.16Å; E127-G129 PolarHBondContact O-N 3.38Å; E127-D130 PolarHBondContact O-N 3.44Å; E127-M134 HydrophobicContact CB-CE 3.8Å; E127-F137 HydrophobicContact CG-CD2 4.34Å; E127-F137 HydrophobicContact CG-CE2 4.12Å; E127-F137 VanDerWaalsContact OE1-CD2 3.26Å; E127-F137 WeakPolarHBondContact OE1-CD2 3.39Å; E127-F137 VanDerWaalsContact OE1-CE2 3.28Å; E127-F137 WeakPolarHBondContact OE1-CE2 3.35Å | ||
| 128 | A | 75.1 | Confident | 77.7 | Confident | 14 Ų | 14 | 46 Ų | 46 | 12% | 0.116 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | 127.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | P121 G483 | P121-A128 HydrophobicContact CB-CB 4.12Å; A128-G483 CarbonylContact O-C 2.93Å; A128-G483 WeakPolarHBondContact O-CA 3.24Å |
| 129 | G | 80.9 | Confident | 77.8 | Confident | 3 Ų | 3 | 44.9 Ų | 44.9 | 3% | 0.031 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 89.2 | 4.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | Y118 E127 G480 | Y118-G129 PolarHBondContact O-N 3.07Å; E127-G129 PolarHBondContact O-N 3.38Å; G129-G480 PolarHBondContact O-N 3.47Å |
| 130 | D | 88.6 | Confident | 77.9 | Confident | 24 Ų | 24 | 47 Ų | 47 | 13% | 0.128 | 28% | 0.279 | C | S | . | . | trans | -116.3 | 96.9 | 164 | -172.9 | -21.4 | 0 | 0 | 0 | 110.3 | E127 A132 L133 M134 R194 K201 | E127-D130 PolarHBondContact O-N 3.44Å; D130-A132 VanDerWaalsContact C-N 3.3Å; D130-A132 PolarHBondContact O-N 2.96Å; D130-A132 PolarHBondContact OD1-N 2.78Å; D130-A132 VanDerWaalsContact OD1-N 3.09Å; D130-L133 HydrophobicContact CB-CB 3.98Å; D130-L133 PolarHBondContact O-N 2.79Å; D130-L133 PolarHBondContact OD1-N 2.97Å; D130-L133 VanDerWaalsContact OD1-N 3.13Å; D130-M134 WeakPolarHBondContact O-CB 3.41Å; D130-M134 PolarHBondContact O-N 2.91Å; D130-R194 IonicContact OD2-CZ 3.71Å; D130-R194 IonicContact OD2-NH2 3.86Å; D130-R194 PolarHBondContact OD2-NH2 2.78Å; D130-K201 WeakPolarHBondContact OD2-CD 3.4Å | ||
| 131 | F | 92.5 | Very high | 77.8 | Confident | 5 Ų | 5 | 53 Ų | 53 | 2% | 0.022 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59.6 | -37.4 | -178.3 | 179.3 | -101.7 | 0 | 0 | 0 | 113.2 | E92 L95 A96 L115 Y118 M134 T135 I193 L197 | E92-F131 HydrophobicContact CB-CB 4.36Å; E92-F131 HydrophobicContact CB-CD1 4.23Å; E92-F131 HydrophobicContact CB-CD2 4.12Å; E92-F131 HydrophobicContact CB-CG 3.95Å; E92-F131 HydrophobicContact CG-CB 3.89Å; E92-F131 HydrophobicContact CG-CD1 4.15Å; E92-F131 HydrophobicContact CG-CG 3.94Å; L95-F131 HydrophobicContact CB-CE1 3.52Å; L95-F131 HydrophobicContact CB-CZ 3.69Å; L95-F131 HydrophobicContact CD1-CD1 4.47Å; L95-F131 HydrophobicContact CD1-CE1 3.91Å; L95-F131 HydrophobicContact CG-CE1 4.37Å; A96-F131 HydrophobicContact CB-CE2 3.86Å; A96-F131 HydrophobicContact CB-CZ 4.14Å; L115-F131 HydrophobicContact CD2-CE2 4.28Å; Y118-F131 HydrophobicContact CD1-CB 4.29Å; Y118-F131 AromaticContact CD1-CD2 3.94Å; Y118-F131 HydrophobicContact CD1-CD2 3.94Å; Y118-F131 HydrophobicContact CD2-CB 3.79Å; Y118-F131 HydrophobicContact CE1-CB 4.45Å; Y118-F131 HydrophobicContact CE2-CB 4Å; Y118-F131 HydrophobicContact CG-CB 3.95Å; Y118-F131 AromaticContact CG-CD2 3.94Å; Y118-F131 HydrophobicContact CG-CD2 3.94Å; Y118-F131 HydrophobicContact CG-CG 4.44Å; F131-M134 PolarHBondContact O-N 2.9Å; F131-T135 WeakPolarHBondContact CZ-OG1 3.48Å; F131-T135 WeakPolarHBondContact O-CB 3.37Å; F131-T135 PolarHBondContact O-N 2.81Å; F131-T135 PolarHBondContact O-OG1 2.82Å; F131-I193 HydrophobicContact CD1-CG2 3.69Å; F131-I193 HydrophobicContact CE1-CD1 4.4Å; F131-I193 HydrophobicContact CE1-CG2 4.01Å; F131-L197 HydrophobicContact CD1-CD1 4.24Å |
| 132 | A | 93.6 | Very high | 78.1 | Confident | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.008 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -68.6 | -45.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | D130 M134 T135 Y136 K190 I193 R194 | D130-A132 VanDerWaalsContact C-N 3.3Å; D130-A132 PolarHBondContact O-N 2.96Å; D130-A132 PolarHBondContact OD1-N 2.78Å; D130-A132 VanDerWaalsContact OD1-N 3.09Å; A132-M134 VanDerWaalsContact C-N 3.34Å; A132-T135 PolarHBondContact O-N 3.14Å; A132-Y136 WeakPolarHBondContact O-CB 3.18Å; A132-Y136 PolarHBondContact O-N 3.24Å; A132-K190 HydrophobicContact CB-CG 4.1Å; A132-I193 HydrophobicContact CB-CB 4.09Å; A132-I193 HydrophobicContact CB-CG2 3.73Å; A132-R194 HydrophobicContact CB-CG 3.67Å |
| 133 | L | 90.6 | Very high | 78.7 | Confident | 45 Ų | 45 | 53 Ų | 53 | 24% | 0.236 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.1 | -40.7 | 176.9 | -175.1 | 62.2 | 0 | 0 | 0 | 111.5 | D130 T135 Y136 F137 K190 | D130-L133 HydrophobicContact CB-CB 3.98Å; D130-L133 PolarHBondContact O-N 2.79Å; D130-L133 PolarHBondContact OD1-N 2.97Å; D130-L133 VanDerWaalsContact OD1-N 3.13Å; L133-T135 PolarHBondContact O-N 2.93Å; L133-Y136 HydrophobicContact CD1-CD1 4.37Å; L133-Y136 WeakPolarHBondContact O-CB 3.41Å; L133-Y136 PolarHBondContact O-N 3Å; L133-F137 HydrophobicContact CD1-CD2 4.3Å; L133-F137 HydrophobicContact CD1-CE2 3.66Å; L133-F137 HydrophobicContact CD1-CZ 4.25Å; L133-F137 HydrophobicContact CD2-CE2 4.36Å; L133-F137 HydrophobicContact CG-CD2 4.21Å; L133-F137 HydrophobicContact CG-CE2 3.74Å; L133-F137 VanDerWaalsContact O-CD2 3.23Å; L133-F137 WeakPolarHBondContact O-CD2 3.35Å; L133-F137 PolarHBondContact O-N 2.87Å; L133-K190 HydrophobicContact CD1-CD 4.41Å |
| 134 | M | 89.4 | Confident | 79.2 | Confident | 3 Ų | 3 | 55.8 Ų | 55.8 | 2% | 0.015 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58 | -48.8 | 175.2 | -171.8 | 60.4 | 77.4 | 0 | 0 | 111.8 | K114 L115 E127 D130 F131 A132 Y136 F137 V138 | K114-M134 HydrophobicContact CD-CE 4.23Å; K114-M134 HydrophobicContact CD-CG 4.34Å; K114-M134 HydrophobicContact CD-SD 3.29Å; K114-M134 WeakPolarHBondContact CD-SD 3.45Å; K114-M134 WeakPolarHBondContact CE-SD 3.21Å; K114-M134 HydrophobicContact CG-CE 4.05Å; K114-M134 HydrophobicContact CG-CG 4.14Å; K114-M134 HydrophobicContact CG-SD 3.5Å; K114-M134 WeakPolarHBondContact CG-SD 3.1Å; K114-M134 PolarHBondContact NZ-SD 2.9Å; L115-M134 HydrophobicContact CD2-CG 4.44Å; E127-M134 HydrophobicContact CB-CE 3.8Å; D130-M134 WeakPolarHBondContact O-CB 3.41Å; D130-M134 PolarHBondContact O-N 2.91Å; F131-M134 PolarHBondContact O-N 2.9Å; A132-M134 VanDerWaalsContact C-N 3.34Å; M134-Y136 VanDerWaalsContact C-N 3.34Å; M134-Y136 PolarHBondContact O-N 3.13Å; M134-F137 PolarHBondContact O-N 3.18Å; M134-V138 PolarHBondContact O-N 3.04Å |
| 135 | T | 91.7 | Very high | 80 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.2 | -40.7 | 179.5 | -53 | 0 | 0 | 0 | 0 | 111 | Y99 L115 F131 A132 L133 F137 V138 L139 I193 | Y99-T135 HydrophobicContact CD1-CG2 4.14Å; Y99-T135 HydrophobicContact CD2-CG2 3.77Å; Y99-T135 HydrophobicContact CE1-CG2 4.13Å; Y99-T135 HydrophobicContact CE2-CG2 3.77Å; Y99-T135 HydrophobicContact CG-CG2 3.97Å; L115-T135 HydrophobicContact CD2-CG2 4.29Å; L115-T135 WeakPolarHBondContact CD2-OG1 3.46Å; F131-T135 WeakPolarHBondContact CZ-OG1 3.48Å; F131-T135 WeakPolarHBondContact O-CB 3.37Å; F131-T135 PolarHBondContact O-N 2.81Å; F131-T135 PolarHBondContact O-OG1 2.82Å; A132-T135 PolarHBondContact O-N 3.14Å; L133-T135 PolarHBondContact O-N 2.93Å; T135-F137 VanDerWaalsContact C-N 3.31Å; T135-F137 PolarHBondContact O-N 2.85Å; T135-V138 PolarHBondContact O-N 2.79Å; T135-V138 VanDerWaalsContact O-N 3.12Å; T135-L139 HydrophobicContact CG2-CD1 3.76Å; T135-L139 HydrophobicContact CG2-CG 4.08Å; T135-L139 WeakPolarHBondContact O-CB 3.42Å; T135-L139 VanDerWaalsContact O-CG 3.27Å; T135-L139 WeakPolarHBondContact O-CG 3.28Å; T135-L139 PolarHBondContact O-N 2.87Å; T135-I193 HydrophobicContact CG2-CD1 3.75Å |
| 136 | Y | 92.1 | Very high | 81.1 | Confident | 45 Ų | 45 | 54.1 Ų | 54.1 | 18% | 0.176 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -53.6 | -44.5 | 175.1 | 169.5 | -103.1 | 0 | 0 | 0 | 112.9 | A132 L133 M134 V138 L139 K140 A186 L187 K190 | A132-Y136 WeakPolarHBondContact O-CB 3.18Å; A132-Y136 PolarHBondContact O-N 3.24Å; L133-Y136 HydrophobicContact CD1-CD1 4.37Å; L133-Y136 WeakPolarHBondContact O-CB 3.41Å; L133-Y136 PolarHBondContact O-N 3Å; M134-Y136 VanDerWaalsContact C-N 3.34Å; M134-Y136 PolarHBondContact O-N 3.13Å; Y136-V138 PolarHBondContact O-N 2.96Å; Y136-L139 PolarHBondContact O-N 2.88Å; Y136-K140 HydrophobicContact CE1-CD 4.28Å; Y136-K140 WeakPolarHBondContact O-CB 3.26Å; Y136-K140 PolarHBondContact O-N 2.88Å; Y136-A186 HydrophobicContact CD2-CB 4.03Å; Y136-A186 WeakPolarHBondContact CD2-O 3.48Å; Y136-A186 HydrophobicContact CE2-CB 4.11Å; Y136-L187 HydrophobicContact CE2-CB 4.38Å; Y136-K190 HydrophobicContact CD2-CB 4.36Å; Y136-K190 HydrophobicContact CD2-CD 4.46Å; Y136-K190 HydrophobicContact CG-CD 4.12Å |
| 137 | F | 88.5 | Confident | 82.1 | Confident | 73 Ų | 73 | 51 Ų | 51 | 32% | 0.32 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -70.1 | -31.2 | 179.5 | -73.3 | -63.2 | 0 | 0 | 0 | 113.6 | E127 L133 M134 T135 | E127-F137 HydrophobicContact CG-CD2 4.34Å; E127-F137 HydrophobicContact CG-CE2 4.12Å; E127-F137 VanDerWaalsContact OE1-CD2 3.26Å; E127-F137 WeakPolarHBondContact OE1-CD2 3.39Å; E127-F137 VanDerWaalsContact OE1-CE2 3.28Å; E127-F137 WeakPolarHBondContact OE1-CE2 3.35Å; L133-F137 HydrophobicContact CD1-CD2 4.3Å; L133-F137 HydrophobicContact CD1-CE2 3.66Å; L133-F137 HydrophobicContact CD1-CZ 4.25Å; L133-F137 HydrophobicContact CD2-CE2 4.36Å; L133-F137 HydrophobicContact CG-CD2 4.21Å; L133-F137 HydrophobicContact CG-CE2 3.74Å; L133-F137 VanDerWaalsContact O-CD2 3.23Å; L133-F137 WeakPolarHBondContact O-CD2 3.35Å; L133-F137 PolarHBondContact O-N 2.87Å; M134-F137 PolarHBondContact O-N 3.18Å; T135-F137 VanDerWaalsContact C-N 3.31Å; T135-F137 PolarHBondContact O-N 2.85Å |
| 138 | V | 88.8 | Confident | 83.1 | Confident | 5 Ų | 5 | 55 Ų | 55 | 3% | 0.03 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -68.2 | -40.7 | 171.7 | 177.1 | 0 | 0 | 0 | 0 | 110.7 | L103 L105 E111 L115 M134 T135 Y136 R142 | L103-V138 HydrophobicContact CD1-CG1 4.15Å; L105-V138 HydrophobicContact CD1-CG1 4.11Å; E111-V138 HydrophobicContact CB-CG1 4.33Å; E111-V138 HydrophobicContact CB-CG2 4.39Å; E111-V138 HydrophobicContact CG-CG2 4.49Å; L115-V138 HydrophobicContact CD2-CG2 4.27Å; L115-V138 HydrophobicContact CG-CG2 4.46Å; M134-V138 PolarHBondContact O-N 3.04Å; T135-V138 PolarHBondContact O-N 2.79Å; T135-V138 VanDerWaalsContact O-N 3.12Å; Y136-V138 PolarHBondContact O-N 2.96Å; V138-R142 PolarHBondContact O-NH1 2.67Å |
| 139 | L | 88.9 | Confident | 84 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -73.7 | -37.7 | -179.3 | -69.1 | 171.4 | 0 | 0 | 0 | 113.3 | Y99 L103 T135 Y136 K141 R142 C143 A186 Q189 | Y99-L139 HydrophobicContact CD1-CD2 4.03Å; Y99-L139 HydrophobicContact CE1-CD1 3.96Å; Y99-L139 HydrophobicContact CE1-CD2 3.86Å; Y99-L139 HydrophobicContact CE1-CG 4.39Å; L103-L139 HydrophobicContact CD1-CD2 3.76Å; L103-L139 HydrophobicContact CD2-CD2 3.85Å; L103-L139 HydrophobicContact CG-CD2 4.3Å; T135-L139 HydrophobicContact CG2-CD1 3.76Å; T135-L139 HydrophobicContact CG2-CG 4.08Å; T135-L139 WeakPolarHBondContact O-CB 3.42Å; T135-L139 VanDerWaalsContact O-CG 3.27Å; T135-L139 WeakPolarHBondContact O-CG 3.28Å; T135-L139 PolarHBondContact O-N 2.87Å; Y136-L139 PolarHBondContact O-N 2.88Å; L139-K141 PolarHBondContact O-N 2.87Å; L139-R142 PolarHBondContact O-N 2.79Å; L139-C143 PolarHBondContact O-N 2.85Å; L139-A186 HydrophobicContact CB-CB 3.78Å; L139-Q189 HydrophobicContact CD1-CB 3.83Å; L139-Q189 HydrophobicContact CD1-CG 4.47Å; L139-Q189 VanDerWaalsContact CD1-OE1 3.24Å |
| 140 | K | 85.9 | Confident | 84.8 | Confident | 133 Ų | 133 | 55.6 Ų | 55.6 | 58% | 0.578 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -55 | -28.5 | -176.2 | -174.3 | -179.8 | 179.4 | -171.4 | 0 | 112.8 | Y136 | Y136-K140 HydrophobicContact CE1-CD 4.28Å; Y136-K140 WeakPolarHBondContact O-CB 3.26Å; Y136-K140 PolarHBondContact O-N 2.88Å |
| 141 | K | 79.7 | Confident | 85.3 | Confident | 174 Ų | 174 | 54.4 Ų | 54.4 | 76% | 0.757 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -11.9 | 178.7 | -60.7 | -176.8 | -178.6 | -178.2 | 0 | 114.1 | L139 | L139-K141 PolarHBondContact O-N 2.87Š|
| 142 | R | 77.6 | Confident | 85.5 | Confident | 97 Ų | 97 | 59.4 Ų | 59.4 | 37% | 0.366 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129 | -27 | -165.3 | -67.3 | 179.6 | 176.9 | 73.8 | 10.2 | 114.8 | E111 V138 L139 | E111-R142 VanDerWaalsContact CD-CZ 3.49Å; E111-R142 VanDerWaalsContact CD-NH1 3.29Å; E111-R142 IonicContact OE1-CZ 3.69Å; E111-R142 IonicContact OE1-NH1 3.73Å; E111-R142 PolarHBondContact OE1-NH1 2.97Å; E111-R142 IonicContact OE1-NH2 2.98Å; E111-R142 PolarHBondContact OE1-NH2 3.16Å; E111-R142 IonicContact OE2-CZ 3.82Å; E111-R142 IonicContact OE2-NE 3.12Å; E111-R142 IonicContact OE2-NH1 2.66Å; E111-R142 PolarHBondContact OE2-NH1 2.9Å; E111-R142 IonicContact OE2-NH2 2.63Å; E111-R142 PolarHBondContact OE2-NH2 2.87Å; V138-R142 PolarHBondContact O-NH1 2.67Å; L139-R142 PolarHBondContact O-N 2.79Å |
| 143 | C | 76.3 | Confident | 85.6 | Confident | 34 Ų | 34 | 63 Ų | 63 | 23% | 0.23 | 31% | 0.311 | C | S | . | . | trans | -94.4 | 104.5 | 179.4 | -69.4 | 0 | 0 | 0 | 0 | 110 | L139 | L139-C143 PolarHBondContact O-N 2.85Š| ||
| 144 | T | 63.1 | Low | 86 | Confident | 140 Ų | 140 | 60.9 Ų | 60.9 | 86% | 0.859 | 30% | 0.3 | S | S | * | . | trans | -94.9 | -4.8 | 172.4 | 50.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 145 | S | 63.8 | Low | 86.4 | Confident | 58 Ų | 58 | 61 Ų | 61 | 41% | 0.406 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -62.3 | 138 | -177.2 | -44.5 | 0 | 0 | 0 | 0 | 112.6 | ||
| 146 | Q | 71.9 | Confident | 86.6 | Confident | 179 Ų | 179 | 64.8 Ų | 64.8 | 84% | 0.836 | 32% | 0.321 | S | S | * | . | P | Polyproline II helix | trans | -80.1 | 131.1 | 164.4 | -67.6 | -174.9 | -10.1 | 0 | 0 | 108.9 | ||
| 147 | G | 78.1 | Confident | 86.8 | Confident | 25 Ų | 25 | 65 Ų | 65 | 26% | 0.258 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -71.2 | 131.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | T185 E188 | G147-T185 VanDerWaalsContact N-CG2 3.33Å; G147-E188 WeakPolarHBondContact CA-OE2 3.47Å |
| 148 | N | 87.3 | Confident | 87.2 | Confident | 96 Ų | 96 | 61.6 Ų | 61.6 | 51% | 0.513 | 31% | 0.308 | S | S | . | . | trans | -120.9 | -3.5 | -177.5 | 62.9 | -5.3 | 0 | 0 | 0 | 113.5 | Q183 | N148-Q183 PolarHBondContact N-O 2.59Å; N148-Q183 PolarHBondContact ND2-OE1 3.35Å; N148-Q183 WeakPolarHBondContact OD1-CB 3.04Å; N148-Q183 PolarHBondContact OD1-O 3.13Å; N148-Q183 PolarHBondContact OD1-OE1 3.3Å | ||
| 149 | L | 95 | Very high | 87.5 | Confident | 5 Ų | 5 | 63.1 Ų | 63.1 | 3% | 0.026 | 32% | 0.316 | C | S | . | . | trans | -76.7 | 139.8 | -175.7 | -60.9 | 179.4 | 0 | 0 | 0 | 112 | F22 E153 V154 F157 L180 Q183 | F22-L149 VanDerWaalsContact CB-O 3.24Å; F22-L149 WeakPolarHBondContact CB-O 3.29Å; F22-L149 PolarHBondContact N-O 2.7Å; L149-E153 HydrophobicContact CD2-CB 4.31Å; L149-V154 HydrophobicContact CB-CG2 3.92Å; L149-V154 HydrophobicContact CD1-CG2 4Å; L149-F157 HydrophobicContact CD2-CE2 4.4Å; L149-L180 HydrophobicContact CD1-CD2 3.83Å; L149-Q183 HydrophobicContact CD1-CB 4.01Å; L149-Q183 HydrophobicContact CD2-CB 3.91Å; L149-Q183 HydrophobicContact CD2-CG 4.48Å; L149-Q183 HydrophobicContact CG-CB 3.86Å | ||
| 150 | T | 97.4 | Very high | 87.8 | Confident | 25 Ų | 25 | 64.9 Ų | 64.9 | 15% | 0.153 | 33% | 0.328 | C | S | . | . | B | Isolated β-bridge | trans | -86 | 163.2 | 168.4 | 63.5 | 0 | 0 | 0 | 0 | 110.7 | A18 V20 R152 E153 V154 | A18-T150 VanDerWaalsContact O-CG2 3.28Å; A18-T150 WeakPolarHBondContact O-CG2 3.5Å; V20-T150 WeakPolarHBondContact O-CA 3.5Å; T150-R152 PolarHBondContact O-N 2.92Å; T150-E153 WeakPolarHBondContact CB-OE2 3.49Å; T150-E153 WeakPolarHBondContact CG2-OE2 3.42Å; T150-E153 PolarHBondContact N-OE2 2.61Å; T150-E153 PolarHBondContact O-N 2.79Å; T150-E153 VanDerWaalsContact OG1-CG 3.3Å; T150-E153 WeakPolarHBondContact OG1-CG 3.35Å; T150-E153 PolarHBondContact OG1-N 2.68Å; T150-E153 PolarHBondContact OG1-OE2 3.35Å; T150-V154 WeakPolarHBondContact O-CG2 3.33Å; T150-V154 PolarHBondContact O-N 3.17Å |
| 151 | I | 98.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.2 | -33.2 | 175.8 | -71 | 169.6 | 0 | 0 | 0 | 111.4 | A17 V20 F22 L25 F48 W52 P72 L76 N155 | A17-I151 HydrophobicContact CB-CB 4.44Å; A17-I151 HydrophobicContact CB-CG2 4.23Å; A17-I151 PolarHBondContact O-N 2.77Å; V20-I151 HydrophobicContact CB-CD1 4.04Å; V20-I151 HydrophobicContact CG1-CD1 3.53Å; V20-I151 HydrophobicContact CG1-CG1 4.43Å; V20-I151 PolarHBondContact O-N 3.35Å; F22-I151 HydrophobicContact CD2-CG1 4.37Å; L25-I151 HydrophobicContact CB-CD1 3.97Å; L25-I151 HydrophobicContact CB-CG1 4.43Å; L25-I151 HydrophobicContact CD2-CD1 4.23Å; L25-I151 HydrophobicContact CD2-CG1 4.39Å; F48-I151 HydrophobicContact CZ-CD1 4.34Å; W52-I151 HydrophobicContact CH2-CD1 4.31Å; W52-I151 HydrophobicContact CH2-CG2 4.38Å; W52-I151 HydrophobicContact CZ3-CD1 3.66Å; P72-I151 HydrophobicContact CB-CG2 4.02Å; L76-I151 HydrophobicContact CD1-CG2 4.11Å; I151-N155 PolarHBondContact O-N 2.75Å; I151-N155 PolarHBondContact O-ND2 3.05Å |
| 152 | R | 97.4 | Very high | 88.9 | Confident | 109 Ų | 109 | 50.3 Ų | 50.3 | 41% | 0.411 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64.1 | -53.8 | 174.6 | -179.4 | 179.4 | 175.4 | -152.5 | 0.8 | 111.4 | A17 A18 T150 V154 N155 D156 | A17-R152 HydrophobicContact CB-CB 4.06Å; A17-R152 WeakPolarHBondContact O-CB 3.44Å; A17-R152 PolarHBondContact O-N 3.13Å; A18-R152 HydrophobicContact CB-CB 4.31Å; T150-R152 PolarHBondContact O-N 2.92Å; R152-V154 VanDerWaalsContact C-N 3.28Å; R152-V154 PolarHBondContact O-N 2.64Å; R152-N155 CarbonylContact O-C 3.57Å; R152-N155 WeakPolarHBondContact O-CA 3.38Å; R152-N155 WeakPolarHBondContact O-CB 3.24Å; R152-N155 PolarHBondContact O-N 2.94Å; R152-D156 IonicContact NE-OD2 3.83Å; R152-D156 PolarHBondContact O-N 3.43Å |
| 153 | E | 96.6 | Very high | 89.7 | Confident | 77 Ų | 77 | 51 Ų | 51 | 36% | 0.36 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -59.8 | -40.3 | -178.5 | -70.2 | 162.6 | 136.8 | 0 | 0 | 111.6 | L149 T150 N155 D156 F157 | L149-E153 HydrophobicContact CD2-CB 4.31Å; T150-E153 WeakPolarHBondContact CB-OE2 3.49Å; T150-E153 WeakPolarHBondContact CG2-OE2 3.42Å; T150-E153 PolarHBondContact N-OE2 2.61Å; T150-E153 PolarHBondContact O-N 2.79Å; T150-E153 VanDerWaalsContact OG1-CG 3.3Å; T150-E153 WeakPolarHBondContact OG1-CG 3.35Å; T150-E153 PolarHBondContact OG1-N 2.68Å; T150-E153 PolarHBondContact OG1-OE2 3.35Å; E153-N155 VanDerWaalsContact C-N 3.29Å; E153-N155 PolarHBondContact O-N 3.28Å; E153-D156 PolarHBondContact O-N 2.94Å; E153-F157 HydrophobicContact CB-CE2 4.44Å; E153-F157 WeakPolarHBondContact O-CD2 3.31Å; E153-F157 PolarHBondContact O-N 3.24Å |
| 154 | V | 97.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.1 | -42.7 | 173.5 | 168.1 | 0 | 0 | 0 | 0 | 111.5 | F22 L76 L149 T150 R152 L158 L180 L192 | F22-V154 HydrophobicContact CB-CG2 3.91Å; F22-V154 HydrophobicContact CD1-CG2 3.89Å; F22-V154 HydrophobicContact CD2-CB 4.28Å; F22-V154 HydrophobicContact CD2-CG1 4.25Å; F22-V154 HydrophobicContact CD2-CG2 3.87Å; F22-V154 HydrophobicContact CE1-CG2 4.38Å; F22-V154 HydrophobicContact CE2-CG1 4.06Å; F22-V154 HydrophobicContact CE2-CG2 4.36Å; F22-V154 HydrophobicContact CG-CG2 3.62Å; F22-V154 HydrophobicContact CZ-CG1 4.38Å; L76-V154 HydrophobicContact CD1-CG1 4.16Å; L149-V154 HydrophobicContact CB-CG2 3.92Å; L149-V154 HydrophobicContact CD1-CG2 4Å; T150-V154 WeakPolarHBondContact O-CG2 3.33Å; T150-V154 PolarHBondContact O-N 3.17Å; R152-V154 VanDerWaalsContact C-N 3.28Å; R152-V154 PolarHBondContact O-N 2.64Å; V154-L158 HydrophobicContact CG1-CD1 3.87Å; V154-L158 HydrophobicContact CG1-CG 4.44Å; V154-L158 WeakPolarHBondContact O-CB 3.23Å; V154-L158 WeakPolarHBondContact O-CG 3.36Å; V154-L158 PolarHBondContact O-N 3.49Å; V154-L180 HydrophobicContact CG2-CD2 4.32Å; V154-L192 HydrophobicContact CG1-CD2 3.57Å; V154-L192 HydrophobicContact CG2-CD2 4.47Å |
| 155 | N | 97.8 | Very high | 92 | Very high | 6 Ų | 6 | 46.3 Ų | 46.3 | 3% | 0.032 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.6 | -47 | 175.2 | -83.2 | -68.5 | 0 | 0 | 0 | 111.8 | P72 R75 R85 I151 R152 E153 F157 L158 D159 | P72-N155 PolarHBondContact O-ND2 3.18Å; R75-N155 VanDerWaalsContact CD-OD1 3.26Å; R75-N155 WeakPolarHBondContact CD-OD1 3.42Å; R75-N155 WeakPolarHBondContact CG-OD1 3.45Å; R85-N155 PolarHBondContact NH2-O 3.01Å; R85-N155 VanDerWaalsContact NH2-O 3.12Å; R85-N155 PolarHBondContact NH2-OD1 2.95Å; I151-N155 PolarHBondContact O-N 2.75Å; I151-N155 PolarHBondContact O-ND2 3.05Å; R152-N155 CarbonylContact O-C 3.57Å; R152-N155 WeakPolarHBondContact O-CA 3.38Å; R152-N155 WeakPolarHBondContact O-CB 3.24Å; R152-N155 PolarHBondContact O-N 2.94Å; E153-N155 VanDerWaalsContact C-N 3.29Å; E153-N155 PolarHBondContact O-N 3.28Å; N155-F157 VanDerWaalsContact C-N 3.3Å; N155-F157 PolarHBondContact O-N 3.03Å; N155-L158 CarbonylContact O-C 3.58Å; N155-L158 PolarHBondContact O-N 3.01Å; N155-D159 WeakPolarHBondContact O-CB 3.48Å; N155-D159 PolarHBondContact O-N 3.48Å |
| 156 | D | 96.4 | Very high | 93.3 | Very high | 79 Ų | 79 | 46.8 Ų | 46.8 | 42% | 0.422 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -57.5 | -42.8 | -179.8 | -63.9 | -19.1 | 0 | 0 | 0 | 111.5 | R152 E153 D159 S160 | R152-D156 IonicContact NE-OD2 3.83Å; R152-D156 PolarHBondContact O-N 3.43Å; E153-D156 PolarHBondContact O-N 2.94Å; D156-D159 PolarHBondContact O-N 3.4Å; D156-S160 WeakPolarHBondContact O-CB 3.45Å; D156-S160 PolarHBondContact O-N 3.19Å |
| 157 | F | 95.9 | Very high | 94.2 | Very high | 51 Ų | 51 | 40.5 Ų | 40.5 | 22% | 0.224 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -68 | -38.9 | 175 | -76.6 | -63.7 | 0 | 0 | 0 | 113 | L149 E153 N155 D159 S160 V161 H179 L180 | L149-F157 HydrophobicContact CD2-CE2 4.4Å; E153-F157 HydrophobicContact CB-CE2 4.44Å; E153-F157 WeakPolarHBondContact O-CD2 3.31Å; E153-F157 PolarHBondContact O-N 3.24Å; N155-F157 VanDerWaalsContact C-N 3.3Å; N155-F157 PolarHBondContact O-N 3.03Å; F157-D159 VanDerWaalsContact C-N 3.35Å; F157-S160 WeakPolarHBondContact O-CB 3.41Å; F157-S160 PolarHBondContact O-N 2.82Å; F157-V161 WeakPolarHBondContact O-CG2 3.44Å; F157-V161 PolarHBondContact O-N 3.37Å; F157-H179 HydrophobicContact CE1-CB 4.23Å; F157-H179 AromaticContact CE1-CD2 3.4Å; F157-H179 VanDerWaalsContact CE1-CD2 3.4Å; F157-H179 WeakPolarHBondContact CE1-CD2 3.25Å; F157-H179 AromaticContact CE1-CG 3.84Å; F157-H179 AromaticContact CE2-CD2 3.3Å; F157-H179 WeakPolarHBondContact CE2-CD2 3.33Å; F157-H179 AromaticContact CE2-NE2 3.56Å; F157-H179 AromaticContact CZ-CD2 2.97Å; F157-H179 WeakPolarHBondContact CZ-CD2 3.25Å; F157-H179 AromaticContact CZ-CG 3.81Å; F157-H179 AromaticContact CZ-NE2 3.19Å; F157-H179 WeakPolarHBondContact CZ-NE2 3.49Å; F157-L180 HydrophobicContact CB-CD1 3.84Å; F157-L180 HydrophobicContact CB-CD2 3.7Å; F157-L180 HydrophobicContact CB-CG 3.65Å; F157-L180 HydrophobicContact CD2-CD2 4.04Å; F157-L180 HydrophobicContact CD2-CG 4.48Å; F157-L180 HydrophobicContact CG-CD2 4.13Å; F157-L180 HydrophobicContact CG-CG 4.14Å |
| 158 | L | 96.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68.6 | -35.5 | 176.1 | -71.1 | 173.2 | 0 | 0 | 0 | 111.7 | L76 Y88 V154 N155 V161 A162 L180 I196 | L76-L158 HydrophobicContact CD2-CD1 3.76Å; Y88-L158 HydrophobicContact CE1-CB 3.99Å; Y88-L158 HydrophobicContact CE1-CD2 4Å; Y88-L158 WeakPolarHBondContact CE1-O 3.34Å; V154-L158 HydrophobicContact CG1-CD1 3.87Å; V154-L158 HydrophobicContact CG1-CG 4.44Å; V154-L158 WeakPolarHBondContact O-CB 3.23Å; V154-L158 WeakPolarHBondContact O-CG 3.36Å; V154-L158 PolarHBondContact O-N 3.49Å; N155-L158 CarbonylContact O-C 3.58Å; N155-L158 PolarHBondContact O-N 3.01Å; L158-V161 PolarHBondContact O-N 3.12Å; L158-A162 PolarHBondContact O-N 2.78Å; L158-L180 HydrophobicContact CD2-CD1 3.98Å; L158-L180 HydrophobicContact CG-CD1 4.29Å; L158-I196 HydrophobicContact CD2-CD1 4.14Å; L158-I196 HydrophobicContact CD2-CG1 3.7Å |
| 159 | D | 96 | Very high | 95.1 | Very high | 37 Ų | 37 | 48.2 Ų | 48.2 | 20% | 0.198 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.1 | -45.4 | 171.5 | -72.5 | -43.5 | 0 | 0 | 0 | 110.1 | R75 R85 N155 D156 F157 V161 A162 I163 | R75-D159 IonicContact NH1-OD1 2.89Å; R75-D159 IonicContact NH1-OD2 2.69Å; R75-D159 PolarHBondContact NH1-OD2 3.39Å; R75-D159 IonicContact NH2-OD1 3.77Å; R85-D159 IonicContact CZ-OD1 2.69Å; R85-D159 IonicContact CZ-OD2 3.2Å; R85-D159 IonicContact NE-OD1 3.77Å; R85-D159 PolarHBondContact NE-OD1 3.35Å; R85-D159 IonicContact NE-OD2 3.12Å; R85-D159 VanDerWaalsContact NH2-CG 3.3Å; R85-D159 IonicContact NH2-OD1 3.83Å; R85-D159 PolarHBondContact NH2-OD1 3.37Å; R85-D159 VanDerWaalsContact NH2-OD1 3.17Å; R85-D159 IonicContact NH2-OD2 3.32Å; R85-D159 PolarHBondContact NH2-OD2 3.42Å; N155-D159 WeakPolarHBondContact O-CB 3.48Å; N155-D159 PolarHBondContact O-N 3.48Å; D156-D159 PolarHBondContact O-N 3.4Å; F157-D159 VanDerWaalsContact C-N 3.35Å; D159-V161 PolarHBondContact O-N 3.31Å; D159-A162 PolarHBondContact O-N 2.7Å; D159-A162 VanDerWaalsContact O-N 3.17Å; D159-I163 WeakPolarHBondContact O-CB 3.45Å; D159-I163 VanDerWaalsContact O-CG1 3.3Å; D159-I163 WeakPolarHBondContact O-CG1 3.24Å; D159-I163 PolarHBondContact O-N 2.92Å |
| 160 | S | 95.5 | Very high | 94.8 | Very high | 37 Ų | 37 | 56.1 Ų | 56.1 | 26% | 0.259 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -55.5 | -46.4 | 171.8 | 180 | 0 | 0 | 0 | 0 | 112.5 | D156 F157 A162 N164 S176 | D156-S160 WeakPolarHBondContact O-CB 3.45Å; D156-S160 PolarHBondContact O-N 3.19Å; F157-S160 WeakPolarHBondContact O-CB 3.41Å; F157-S160 PolarHBondContact O-N 2.82Å; S160-A162 VanDerWaalsContact C-N 3.35Å; S160-A162 PolarHBondContact O-N 3Å; S160-N164 VanDerWaalsContact O-CB 3.25Å; S160-N164 WeakPolarHBondContact O-CB 3.17Å; S160-N164 PolarHBondContact O-N 2.8Å; S160-N164 PolarHBondContact O-ND2 2.71Å; S160-N164 PolarHBondContact OG-ND2 2.82Å; S160-S176 PolarHBondContact OG-OG 3.36Å |
| 161 | V | 94.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59 | -45.6 | 176.3 | 169.1 | 0 | 0 | 0 | 0 | 111.4 | Y88 I90 F157 L158 D159 N165 V173 L177 | Y88-V161 HydrophobicContact CD1-CB 4.31Å; Y88-V161 HydrophobicContact CD1-CG1 3.78Å; Y88-V161 HydrophobicContact CG-CG1 4.46Å; I90-V161 HydrophobicContact CD1-CG1 3.6Å; F157-V161 WeakPolarHBondContact O-CG2 3.44Å; F157-V161 PolarHBondContact O-N 3.37Å; L158-V161 PolarHBondContact O-N 3.12Å; D159-V161 PolarHBondContact O-N 3.31Å; V161-N165 WeakPolarHBondContact O-CB 3.37Å; V161-N165 PolarHBondContact O-N 3.15Å; V161-V173 HydrophobicContact CG1-CG1 4.2Å; V161-L177 HydrophobicContact CG1-CD2 4.43Å; V161-L177 HydrophobicContact CG2-CD2 3.95Å; V161-L177 HydrophobicContact CG2-CG 3.98Å |
| 162 | A | 94.1 | Very high | 94.1 | Very high | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.008 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -67.5 | -45.2 | -178 | 0 | 0 | 0 | 0 | 0 | 112.3 | R85 V86 Y88 L158 D159 S160 N165 A166 | R85-A162 HydrophobicContact CG-CB 3.34Å; V86-A162 HydrophobicContact CG2-CB 3.81Å; V86-A162 WeakPolarHBondContact CG2-O 3.45Å; Y88-A162 HydrophobicContact CD1-CB 4.05Å; Y88-A162 HydrophobicContact CE1-CB 4.29Å; L158-A162 PolarHBondContact O-N 2.78Å; D159-A162 PolarHBondContact O-N 2.7Å; D159-A162 VanDerWaalsContact O-N 3.17Å; S160-A162 VanDerWaalsContact C-N 3.35Å; S160-A162 PolarHBondContact O-N 3Å; A162-N165 PolarHBondContact O-N 3Å; A162-A166 PolarHBondContact O-N 2.6Å |
| 163 | I | 94.9 | Very high | 93.7 | Very high | 113 Ų | 113 | 60.2 Ų | 60.2 | 58% | 0.579 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -61.3 | -48.8 | 176.8 | -68.3 | 165.8 | 0 | 0 | 0 | 110.4 | D159 N165 A166 G167 | D159-I163 WeakPolarHBondContact O-CB 3.45Å; D159-I163 VanDerWaalsContact O-CG1 3.3Å; D159-I163 WeakPolarHBondContact O-CG1 3.24Å; D159-I163 PolarHBondContact O-N 2.92Å; I163-N165 VanDerWaalsContact C-N 3.3Å; I163-N165 PolarHBondContact O-N 2.61Å; I163-A166 PolarHBondContact O-N 2.64Å; I163-A166 VanDerWaalsContact O-N 3.17Å; I163-G167 PolarHBondContact O-N 3.47Å |
| 164 | N | 93.8 | Very high | 93.2 | Very high | 18 Ų | 18 | 61 Ų | 61 | 10% | 0.096 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64.6 | -34.9 | 179.9 | -69 | -30.8 | 0 | 0 | 0 | 112.1 | S160 G167 K168 Q169 L172 V173 | S160-N164 VanDerWaalsContact O-CB 3.25Å; S160-N164 WeakPolarHBondContact O-CB 3.17Å; S160-N164 PolarHBondContact O-N 2.8Å; S160-N164 PolarHBondContact O-ND2 2.71Å; S160-N164 PolarHBondContact OG-ND2 2.82Å; N164-G167 CarbonylContact O-C 3.49Å; N164-G167 PolarHBondContact O-N 3.05Å; N164-K168 PolarHBondContact O-N 2.73Å; N164-K168 VanDerWaalsContact O-N 3.1Å; N164-Q169 HydrophobicContact CB-CB 4.4Å; N164-Q169 PolarHBondContact O-N 2.74Å; N164-Q169 PolarHBondContact OD1-OE1 3.3Å; N164-L172 HydrophobicContact CB-CB 4.12Å; N164-L172 WeakPolarHBondContact ND2-CB 3.29Å; N164-V173 HydrophobicContact CB-CG2 3.65Å |
| 165 | N | 92.9 | Very high | 92.8 | Very high | 56 Ų | 56 | 68.1 Ų | 68.1 | 30% | 0.299 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.8 | -44 | 173.1 | 176.5 | 67.7 | 0 | 0 | 0 | 111.9 | A87 Y88 G89 V161 A162 I163 G167 K168 V173 | A87-N165 PolarHBondContact O-ND2 2.85Å; Y88-N165 WeakPolarHBondContact O-CB 3.19Å; G89-N165 PolarHBondContact N-ND2 3.47Å; V161-N165 WeakPolarHBondContact O-CB 3.37Å; V161-N165 PolarHBondContact O-N 3.15Å; A162-N165 PolarHBondContact O-N 3Å; I163-N165 VanDerWaalsContact C-N 3.3Å; I163-N165 PolarHBondContact O-N 2.61Å; N165-G167 VanDerWaalsContact C-N 3.28Å; N165-G167 PolarHBondContact O-N 3.15Å; N165-K168 PolarHBondContact O-N 2.64Å; N165-V173 HydrophobicContact CB-CG2 4.1Å |
| 166 | A | 90.8 | Very high | 92.4 | Very high | 68 Ų | 68 | 68.5 Ų | 68.5 | 56% | 0.562 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -60.8 | -39.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | V86 A162 I163 K168 | V86-A166 HydrophobicContact CG2-CB 4.09Å; A162-A166 PolarHBondContact O-N 2.6Å; I163-A166 PolarHBondContact O-N 2.64Å; I163-A166 VanDerWaalsContact O-N 3.17Å; A166-K168 PolarHBondContact O-N 3.11Å |
| 167 | G | 92.6 | Very high | 92 | Very high | 48 Ų | 48 | 65 Ų | 65 | 50% | 0.495 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | 1.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | I163 N164 N165 Q169 | I163-G167 PolarHBondContact O-N 3.47Å; N164-G167 CarbonylContact O-C 3.49Å; N164-G167 PolarHBondContact O-N 3.05Å; N165-G167 VanDerWaalsContact C-N 3.28Å; N165-G167 PolarHBondContact O-N 3.15Å; G167-Q169 PolarHBondContact O-N 3.18Å |
| 168 | K | 91.8 | Very high | 91.4 | Very high | 184 Ų | 184 | 65.8 Ų | 65.8 | 80% | 0.8 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.6 | 24.3 | -177.6 | -56.2 | 177 | -177.8 | 171.9 | 0 | 114.5 | N164 N165 A166 K170 | N164-K168 PolarHBondContact O-N 2.73Å; N164-K168 VanDerWaalsContact O-N 3.1Å; N165-K168 PolarHBondContact O-N 2.64Å; A166-K168 PolarHBondContact O-N 3.11Å; K168-K170 PolarHBondContact O-N 3.04Å |
| 169 | Q | 92 | Very high | 91 | Very high | 98 Ų | 98 | 69.4 Ų | 69.4 | 46% | 0.458 | 36% | 0.36 | S | S | . | . | trans | -91.4 | 76.9 | -178.5 | -67.5 | 173.5 | -5.6 | 0 | 0 | 111.5 | N164 G167 D171 L172 V173 | N164-Q169 HydrophobicContact CB-CB 4.4Å; N164-Q169 PolarHBondContact O-N 2.74Å; N164-Q169 PolarHBondContact OD1-OE1 3.3Å; G167-Q169 PolarHBondContact O-N 3.18Å; Q169-D171 VanDerWaalsContact C-N 3.3Å; Q169-D171 PolarHBondContact O-N 2.95Å; Q169-L172 HydrophobicContact CB-CB 4.33Å; Q169-L172 HydrophobicContact CB-CD1 4.4Å; Q169-L172 HydrophobicContact CB-CG 4.4Å; Q169-L172 PolarHBondContact O-N 3.29Å; Q169-V173 PolarHBondContact O-N 3.08Å; Q169-V173 VanDerWaalsContact O-N 3.12Å | ||
| 170 | K | 87.9 | Confident | 90.7 | Very high | 171 Ų | 171 | 67.8 Ų | 67.8 | 74% | 0.743 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -58.3 | -35.6 | -173.6 | -67.5 | -177.9 | -178.5 | 173.4 | 0 | 114.2 | K168 V173 K174 | K168-K170 PolarHBondContact O-N 3.04Å; K170-V173 WeakPolarHBondContact O-CB 3.3Å; K170-V173 PolarHBondContact O-N 3.06Å; K170-K174 PolarHBondContact O-N 2.76Å |
| 171 | D | 89.1 | Confident | 90.2 | Very high | 136 Ų | 136 | 66.7 Ų | 66.7 | 73% | 0.727 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -70.4 | -38.1 | -178.7 | -63.8 | -36.2 | 0 | 0 | 0 | 112.1 | Q169 K174 K175 | Q169-D171 VanDerWaalsContact C-N 3.3Å; Q169-D171 PolarHBondContact O-N 2.95Å; D171-K174 WeakPolarHBondContact O-CB 3.45Å; D171-K174 PolarHBondContact O-N 2.93Å; D171-K175 WeakPolarHBondContact O-CB 3.46Å; D171-K175 PolarHBondContact O-N 2.88Å |
| 172 | L | 91.7 | Very high | 89.7 | Confident | 75 Ų | 75 | 69.5 Ų | 69.5 | 39% | 0.393 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -69.7 | -36.7 | 174.2 | -62.6 | -170.4 | 0 | 0 | 0 | 111.7 | N164 Q169 K174 K175 S176 | N164-L172 HydrophobicContact CB-CB 4.12Å; N164-L172 WeakPolarHBondContact ND2-CB 3.29Å; Q169-L172 HydrophobicContact CB-CB 4.33Å; Q169-L172 HydrophobicContact CB-CD1 4.4Å; Q169-L172 HydrophobicContact CB-CG 4.4Å; Q169-L172 PolarHBondContact O-N 3.29Å; L172-K174 VanDerWaalsContact C-N 3.32Å; L172-K174 PolarHBondContact O-N 2.98Å; L172-K175 PolarHBondContact O-N 3.21Å; L172-S176 PolarHBondContact O-N 2.9Å; L172-S176 PolarHBondContact O-OG 2.88Å |
| 173 | V | 88.8 | Confident | 89.4 | Confident | 10 Ų | 10 | 72.3 Ų | 72.3 | 6% | 0.061 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -56.5 | -48.3 | 169.5 | 170.2 | 0 | 0 | 0 | 0 | 110.5 | I90 V161 N164 N165 Q169 K170 K175 S176 L177 | I90-V173 HydrophobicContact CD1-CG1 4.49Å; V161-V173 HydrophobicContact CG1-CG1 4.2Å; N164-V173 HydrophobicContact CB-CG2 3.65Å; N165-V173 HydrophobicContact CB-CG2 4.1Å; Q169-V173 PolarHBondContact O-N 3.08Å; Q169-V173 VanDerWaalsContact O-N 3.12Å; K170-V173 WeakPolarHBondContact O-CB 3.3Å; K170-V173 PolarHBondContact O-N 3.06Å; V173-K175 VanDerWaalsContact C-N 3.32Å; V173-K175 PolarHBondContact O-N 3.24Å; V173-S176 PolarHBondContact O-N 3.5Å; V173-L177 HydrophobicContact CG1-CD1 3.91Å; V173-L177 HydrophobicContact CG1-CG 4.5Å; V173-L177 WeakPolarHBondContact O-CB 3.49Å; V173-L177 VanDerWaalsContact O-CG 3.3Å; V173-L177 WeakPolarHBondContact O-CG 3.41Å; V173-L177 PolarHBondContact O-N 2.83Å |
| 174 | K | 86.2 | Confident | 89.3 | Confident | 94 Ų | 94 | 67 Ų | 67 | 41% | 0.409 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -59.9 | -43 | 177.4 | -168 | 176 | -173.8 | 174 | 0 | 111.3 | L98 D101 K170 D171 L172 L178 | L98-K174 HydrophobicContact CD1-CD 4.2Å; L98-K174 HydrophobicContact CD1-CG 3.65Å; D101-K174 IonicContact OD2-NZ 3.46Å; D101-K174 PolarHBondContact OD2-NZ 3.03Å; K170-K174 PolarHBondContact O-N 2.76Å; D171-K174 WeakPolarHBondContact O-CB 3.45Å; D171-K174 PolarHBondContact O-N 2.93Å; L172-K174 VanDerWaalsContact C-N 3.32Å; L172-K174 PolarHBondContact O-N 2.98Å; K174-L178 VanDerWaalsContact O-CB 3.26Å; K174-L178 WeakPolarHBondContact O-CB 3.49Å; K174-L178 PolarHBondContact O-N 2.85Å |
| 175 | K | 88.9 | Confident | 89.2 | Confident | 149 Ų | 149 | 67.3 Ų | 67.3 | 65% | 0.648 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -63.6 | -47.7 | 179.3 | -172.8 | 178.3 | 178.4 | -178.9 | 0 | 112.5 | D171 L172 V173 L178 H179 | D171-K175 WeakPolarHBondContact O-CB 3.46Å; D171-K175 PolarHBondContact O-N 2.88Å; L172-K175 PolarHBondContact O-N 3.21Å; V173-K175 VanDerWaalsContact C-N 3.32Å; V173-K175 PolarHBondContact O-N 3.24Å; K175-L178 PolarHBondContact O-N 2.88Å; K175-H179 PolarHBondContact O-N 2.96Å |
| 176 | S | 90.4 | Very high | 89.2 | Confident | 13 Ų | 13 | 65.1 Ų | 65.1 | 9% | 0.091 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65 | -40.5 | 178.6 | -59 | 0 | 0 | 0 | 0 | 111.7 | S160 L172 V173 H179 L180 | S160-S176 PolarHBondContact OG-OG 3.36Å; L172-S176 PolarHBondContact O-N 2.9Å; L172-S176 PolarHBondContact O-OG 2.88Å; V173-S176 PolarHBondContact O-N 3.5Å; S176-H179 PolarHBondContact O-N 3.25Å; S176-L180 PolarHBondContact O-N 2.88Å; S176-L180 VanDerWaalsContact O-N 3.11Å |
| 177 | L | 86.8 | Confident | 89.3 | Confident | 6 Ų | 6 | 63.6 Ų | 63.6 | 3% | 0.031 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65.4 | -41.3 | 174.1 | -70.1 | 170.9 | 0 | 0 | 0 | 112.4 | I90 L98 V161 V173 H179 L180 I181 I196 | I90-L177 HydrophobicContact CD1-CD1 3.55Å; I90-L177 HydrophobicContact CD1-CD2 3.76Å; I90-L177 HydrophobicContact CD1-CG 4.12Å; I90-L177 HydrophobicContact CG1-CD1 4.33Å; L98-L177 HydrophobicContact CD2-CB 3.59Å; L98-L177 HydrophobicContact CD2-CD1 3.74Å; L98-L177 HydrophobicContact CD2-CG 4.31Å; V161-L177 HydrophobicContact CG1-CD2 4.43Å; V161-L177 HydrophobicContact CG2-CD2 3.95Å; V161-L177 HydrophobicContact CG2-CG 3.98Å; V173-L177 HydrophobicContact CG1-CD1 3.91Å; V173-L177 HydrophobicContact CG1-CG 4.5Å; V173-L177 WeakPolarHBondContact O-CB 3.49Å; V173-L177 VanDerWaalsContact O-CG 3.3Å; V173-L177 WeakPolarHBondContact O-CG 3.41Å; V173-L177 PolarHBondContact O-N 2.83Å; L177-H179 VanDerWaalsContact C-N 3.27Å; L177-H179 PolarHBondContact O-N 2.87Å; L177-L180 PolarHBondContact O-N 3.18Å; L177-I181 WeakPolarHBondContact O-CB 2.94Å; L177-I181 VanDerWaalsContact O-CG1 3.24Å; L177-I181 WeakPolarHBondContact O-CG1 3.14Å; L177-I181 PolarHBondContact O-N 3.06Å; L177-I196 HydrophobicContact CD2-CD1 3.92Å |
| 178 | L | 85.2 | Confident | 89.5 | Confident | 68 Ų | 68 | 61.3 Ų | 61.3 | 36% | 0.356 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59.2 | -42.3 | 177 | 179.4 | 60.1 | 0 | 0 | 0 | 111 | V102 K174 K175 I181 T182 | V102-L178 HydrophobicContact CB-CD1 4.18Å; V102-L178 HydrophobicContact CG1-CD1 3.67Å; V102-L178 HydrophobicContact CG2-CD1 3.37Å; K174-L178 VanDerWaalsContact O-CB 3.26Å; K174-L178 WeakPolarHBondContact O-CB 3.49Å; K174-L178 PolarHBondContact O-N 2.85Å; K175-L178 PolarHBondContact O-N 2.88Å; L178-I181 PolarHBondContact O-N 2.92Å; L178-T182 HydrophobicContact CD1-CG2 3.83Å; L178-T182 HydrophobicContact CG-CG2 4.23Å; L178-T182 WeakPolarHBondContact O-CG2 3.42Å; L178-T182 PolarHBondContact O-N 3.31Å; L178-T182 PolarHBondContact O-OG1 3.06Å |
| 179 | H | 87.1 | Confident | 89.6 | Confident | 75 Ų | 75 | 52.6 Ų | 52.6 | 35% | 0.347 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.6 | -47.4 | 176.7 | -169 | 88 | 0 | 0 | 0 | 112 | F157 K175 S176 L177 I181 T182 Q183 | F157-H179 HydrophobicContact CE1-CB 4.23Å; F157-H179 AromaticContact CE1-CD2 3.4Å; F157-H179 VanDerWaalsContact CE1-CD2 3.4Å; F157-H179 WeakPolarHBondContact CE1-CD2 3.25Å; F157-H179 AromaticContact CE1-CG 3.84Å; F157-H179 AromaticContact CE2-CD2 3.3Å; F157-H179 WeakPolarHBondContact CE2-CD2 3.33Å; F157-H179 AromaticContact CE2-NE2 3.56Å; F157-H179 AromaticContact CZ-CD2 2.97Å; F157-H179 WeakPolarHBondContact CZ-CD2 3.25Å; F157-H179 AromaticContact CZ-CG 3.81Å; F157-H179 AromaticContact CZ-NE2 3.19Å; F157-H179 WeakPolarHBondContact CZ-NE2 3.49Å; K175-H179 PolarHBondContact O-N 2.96Å; S176-H179 PolarHBondContact O-N 3.25Å; L177-H179 VanDerWaalsContact C-N 3.27Å; L177-H179 PolarHBondContact O-N 2.87Å; H179-I181 VanDerWaalsContact C-N 3.28Å; H179-I181 PolarHBondContact O-N 3.04Å; H179-T182 PolarHBondContact O-N 3.01Å; H179-T182 PolarHBondContact O-OG1 2.77Å; H179-Q183 WeakPolarHBondContact O-CB 3.47Å; H179-Q183 WeakPolarHBondContact O-CG 3.33Å; H179-Q183 PolarHBondContact O-N 2.75Å; H179-Q183 VanDerWaalsContact O-N 3.13Å |
| 180 | L | 89.3 | Confident | 89.8 | Confident | 4 Ų | 4 | 48 Ų | 48 | 2% | 0.021 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -56.3 | -42.9 | 173.7 | -79.2 | 172.9 | 0 | 0 | 0 | 112.1 | L149 V154 F157 L158 S176 L177 S184 L192 | L149-L180 HydrophobicContact CD1-CD2 3.83Å; V154-L180 HydrophobicContact CG2-CD2 4.32Å; F157-L180 HydrophobicContact CB-CD1 3.84Å; F157-L180 HydrophobicContact CB-CD2 3.7Å; F157-L180 HydrophobicContact CB-CG 3.65Å; F157-L180 HydrophobicContact CD2-CD2 4.04Å; F157-L180 HydrophobicContact CD2-CG 4.48Å; F157-L180 HydrophobicContact CG-CD2 4.13Å; F157-L180 HydrophobicContact CG-CG 4.14Å; L158-L180 HydrophobicContact CD2-CD1 3.98Å; L158-L180 HydrophobicContact CG-CD1 4.29Å; S176-L180 PolarHBondContact O-N 2.88Å; S176-L180 VanDerWaalsContact O-N 3.11Å; L177-L180 PolarHBondContact O-N 3.18Å; L180-S184 WeakPolarHBondContact O-CB 3.15Å; L180-S184 PolarHBondContact O-N 2.89Å; L180-S184 PolarHBondContact O-OG 3.29Å; L180-L192 HydrophobicContact CB-CD1 4.43Å |
| 181 | I | 85.1 | Confident | 90.3 | Very high | 13 Ų | 13 | 39.9 Ų | 39.9 | 7% | 0.067 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.4 | -45 | -178.9 | -71.2 | 166.6 | 0 | 0 | 0 | 111.3 | L98 Y99 V102 L177 L178 H179 Q183 Q189 | L98-I181 HydrophobicContact CD2-CD1 3.75Å; L98-I181 HydrophobicContact CG-CD1 4.13Å; Y99-I181 HydrophobicContact CE1-CD1 3.96Å; Y99-I181 HydrophobicContact CE1-CG1 4.07Å; Y99-I181 HydrophobicContact CE1-CG2 3.91Å; Y99-I181 HydrophobicContact CE2-CD1 4.35Å; V102-I181 HydrophobicContact CG1-CG2 4.03Å; L177-I181 WeakPolarHBondContact O-CB 2.94Å; L177-I181 VanDerWaalsContact O-CG1 3.24Å; L177-I181 WeakPolarHBondContact O-CG1 3.14Å; L177-I181 PolarHBondContact O-N 3.06Å; L178-I181 PolarHBondContact O-N 2.92Å; H179-I181 VanDerWaalsContact C-N 3.28Å; H179-I181 PolarHBondContact O-N 3.04Å; I181-Q183 PolarHBondContact O-N 2.73Å; I181-Q189 PolarHBondContact O-NE2 2.96Å |
| 182 | T | 84.3 | Confident | 90.6 | Very high | 59 Ų | 59 | 33.7 Ų | 33.7 | 36% | 0.362 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -74.4 | -26.4 | -174.4 | 60.3 | 0 | 0 | 0 | 0 | 113.2 | L178 H179 | L178-T182 HydrophobicContact CD1-CG2 3.83Å; L178-T182 HydrophobicContact CG-CG2 4.23Å; L178-T182 WeakPolarHBondContact O-CG2 3.42Å; L178-T182 PolarHBondContact O-N 3.31Å; L178-T182 PolarHBondContact O-OG1 3.06Å; H179-T182 PolarHBondContact O-N 3.01Å; H179-T182 PolarHBondContact O-OG1 2.77Å |
| 183 | Q | 88.7 | Confident | 90.9 | Very high | 60 Ų | 60 | 30.1 Ų | 30.1 | 28% | 0.28 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 2.5 | -179.8 | -61.4 | -54.6 | -68.7 | 0 | 0 | 114.1 | N148 L149 H179 I181 | N148-Q183 PolarHBondContact N-O 2.59Å; N148-Q183 PolarHBondContact ND2-OE1 3.35Å; N148-Q183 WeakPolarHBondContact OD1-CB 3.04Å; N148-Q183 PolarHBondContact OD1-O 3.13Å; N148-Q183 PolarHBondContact OD1-OE1 3.3Å; L149-Q183 HydrophobicContact CD1-CB 4.01Å; L149-Q183 HydrophobicContact CD2-CB 3.91Å; L149-Q183 HydrophobicContact CD2-CG 4.48Å; L149-Q183 HydrophobicContact CG-CB 3.86Å; H179-Q183 WeakPolarHBondContact O-CB 3.47Å; H179-Q183 WeakPolarHBondContact O-CG 3.33Å; H179-Q183 PolarHBondContact O-N 2.75Å; H179-Q183 VanDerWaalsContact O-N 3.13Å; I181-Q183 PolarHBondContact O-N 2.73Å |
| 184 | S | 91.4 | Very high | 91.2 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.007 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -116.9 | 142.7 | -177.1 | -63.6 | 0 | 0 | 0 | 0 | 112.3 | L180 Q189 L192 | L180-S184 WeakPolarHBondContact O-CB 3.15Å; L180-S184 PolarHBondContact O-N 2.89Å; L180-S184 PolarHBondContact O-OG 3.29Å; S184-Q189 PolarHBondContact O-NE2 3.06Å; S184-L192 WeakPolarHBondContact OG-CD1 3.22Å |
| 185 | T | 92.4 | Very high | 91.7 | Very high | 26 Ų | 26 | 25.5 Ų | 25.5 | 16% | 0.16 | 13% | 0.129 | C | C | . | . | trans | -63.2 | 162.9 | 168.6 | 62.9 | 0 | 0 | 0 | 0 | 111.8 | G147 L187 E188 Q189 | G147-T185 VanDerWaalsContact N-CG2 3.33Å; T185-L187 PolarHBondContact O-N 3Å; T185-E188 VanDerWaalsContact CB-OE2 3.3Å; T185-E188 WeakPolarHBondContact CB-OE2 3.32Å; T185-E188 VanDerWaalsContact CG2-OE2 3.27Å; T185-E188 WeakPolarHBondContact CG2-OE2 2.88Å; T185-E188 PolarHBondContact N-OE2 2.74Å; T185-E188 PolarHBondContact O-N 3.35Å; T185-E188 WeakPolarHBondContact OG1-CB 3.22Å; T185-E188 VanDerWaalsContact OG1-CG 3.3Å; T185-E188 WeakPolarHBondContact OG1-CG 3.44Å; T185-E188 PolarHBondContact OG1-N 3.2Å; T185-E188 PolarHBondContact OG1-OE2 2.81Å; T185-Q189 VanDerWaalsContact O-CG 3.31Å; T185-Q189 WeakPolarHBondContact O-CG 3.32Å; T185-Q189 PolarHBondContact O-N 2.78Å | ||
| 186 | A | 92.6 | Very high | 92 | Very high | 9 Ų | 9 | 19 Ų | 19 | 7% | 0.074 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -55.6 | -37.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y136 L139 K190 | Y136-A186 HydrophobicContact CD2-CB 4.03Å; Y136-A186 WeakPolarHBondContact CD2-O 3.48Å; Y136-A186 HydrophobicContact CE2-CB 4.11Å; L139-A186 HydrophobicContact CB-CB 3.78Å; A186-K190 PolarHBondContact O-N 2.94Å; A186-K190 VanDerWaalsContact O-N 3.09Å |
| 187 | L | 93.9 | Very high | 92.2 | Very high | 36 Ų | 36 | 20.5 Ų | 20.5 | 19% | 0.188 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -67 | -45.7 | 177.9 | 177.8 | 61.9 | 0 | 0 | 0 | 111.7 | L23 E30 Y136 T185 Q189 K190 W191 | L23-L187 HydrophobicContact CD1-CD2 4.5Å; E30-L187 HydrophobicContact CB-CD1 4.39Å; E30-L187 HydrophobicContact CG-CD1 4.16Å; Y136-L187 HydrophobicContact CE2-CB 4.38Å; T185-L187 PolarHBondContact O-N 3Å; L187-Q189 VanDerWaalsContact C-N 3.33Å; L187-Q189 PolarHBondContact O-N 2.87Å; L187-K190 VanDerWaalsContact O-CB 3.3Å; L187-K190 WeakPolarHBondContact O-CB 3.39Å; L187-K190 PolarHBondContact O-N 2.84Å; L187-W191 VanDerWaalsContact O-CD1 3.3Å; L187-W191 PolarHBondContact O-N 2.86Å |
| 188 | E | 95.8 | Very high | 92.6 | Very high | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.005 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.2 | -43.5 | 176.6 | -76.3 | 167.4 | 127.9 | 0 | 0 | 111.3 | F22 L23 C26 G147 T185 K190 W191 L192 | F22-E188 HydrophobicContact CD1-CB 3.82Å; F22-E188 HydrophobicContact CD1-CG 3.64Å; F22-E188 HydrophobicContact CE1-CB 3.71Å; F22-E188 HydrophobicContact CE1-CG 3.95Å; L23-E188 WeakPolarHBondContact CA-OE1 3.29Å; L23-E188 HydrophobicContact CB-CG 4.4Å; L23-E188 WeakPolarHBondContact CB-OE1 3.21Å; L23-E188 HydrophobicContact CD1-CG 4Å; L23-E188 PolarHBondContact N-OE1 2.92Å; C26-E188 HydrophobicContact CB-CG 4.15Å; G147-E188 WeakPolarHBondContact CA-OE2 3.47Å; T185-E188 VanDerWaalsContact CB-OE2 3.3Å; T185-E188 WeakPolarHBondContact CB-OE2 3.32Å; T185-E188 VanDerWaalsContact CG2-OE2 3.27Å; T185-E188 WeakPolarHBondContact CG2-OE2 2.88Å; T185-E188 PolarHBondContact N-OE2 2.74Å; T185-E188 PolarHBondContact O-N 3.35Å; T185-E188 WeakPolarHBondContact OG1-CB 3.22Å; T185-E188 VanDerWaalsContact OG1-CG 3.3Å; T185-E188 WeakPolarHBondContact OG1-CG 3.44Å; T185-E188 PolarHBondContact OG1-N 3.2Å; T185-E188 PolarHBondContact OG1-OE2 2.81Å; E188-K190 VanDerWaalsContact C-N 3.31Å; E188-K190 PolarHBondContact O-N 2.94Å; E188-W191 CarbonylContact O-C 3.47Å; E188-W191 PolarHBondContact O-N 2.83Å; E188-L192 WeakPolarHBondContact O-CG 3.26Å; E188-L192 PolarHBondContact O-N 3.19Å |
| 189 | Q | 95.1 | Very high | 92.9 | Very high | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.005 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61.3 | -37.3 | 176.5 | -69.4 | -175.4 | 49.9 | 0 | 0 | 112.9 | Y99 L139 I181 S184 T185 L187 W191 L192 I193 | Y99-Q189 PolarHBondContact OH-OE1 3.48Å; L139-Q189 HydrophobicContact CD1-CB 3.83Å; L139-Q189 HydrophobicContact CD1-CG 4.47Å; L139-Q189 VanDerWaalsContact CD1-OE1 3.24Å; I181-Q189 PolarHBondContact O-NE2 2.96Å; S184-Q189 PolarHBondContact O-NE2 3.06Å; T185-Q189 VanDerWaalsContact O-CG 3.31Å; T185-Q189 WeakPolarHBondContact O-CG 3.32Å; T185-Q189 PolarHBondContact O-N 2.78Å; L187-Q189 VanDerWaalsContact C-N 3.33Å; L187-Q189 PolarHBondContact O-N 2.87Å; Q189-W191 VanDerWaalsContact C-N 3.25Å; Q189-W191 PolarHBondContact O-N 2.67Å; Q189-L192 PolarHBondContact O-N 2.95Å; Q189-I193 WeakPolarHBondContact O-CD1 3.44Å; Q189-I193 WeakPolarHBondContact O-CG1 3.32Å; Q189-I193 PolarHBondContact O-N 3.36Å |
| 190 | K | 95.5 | Very high | 93.3 | Very high | 2 Ų | 2 | 21 Ų | 21 | 1% | 0.009 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -54.6 | -45.2 | 172.1 | -170.6 | -178.2 | 75.9 | 170.8 | 0 | 111.1 | E30 A132 L133 Y136 A186 L187 E188 R194 | E30-K190 IonicContact OE1-NZ 2.84Å; E30-K190 PolarHBondContact OE1-NZ 2.97Å; E30-K190 VanDerWaalsContact OE2-CE 3.31Å; E30-K190 WeakPolarHBondContact OE2-CE 3.49Å; E30-K190 IonicContact OE2-NZ 2.78Å; E30-K190 PolarHBondContact OE2-NZ 3.25Å; A132-K190 HydrophobicContact CB-CG 4.1Å; L133-K190 HydrophobicContact CD1-CD 4.41Å; Y136-K190 HydrophobicContact CD2-CB 4.36Å; Y136-K190 HydrophobicContact CD2-CD 4.46Å; Y136-K190 HydrophobicContact CG-CD 4.12Å; A186-K190 PolarHBondContact O-N 2.94Å; A186-K190 VanDerWaalsContact O-N 3.09Å; L187-K190 VanDerWaalsContact O-CB 3.3Å; L187-K190 WeakPolarHBondContact O-CB 3.39Å; L187-K190 PolarHBondContact O-N 2.84Å; E188-K190 VanDerWaalsContact C-N 3.31Å; E188-K190 PolarHBondContact O-N 2.94Å; K190-R194 PolarHBondContact O-N 2.8Å |
| 191 | W | 97.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -75.8 | -38.6 | -179.1 | -73 | 112 | 0 | 0 | 0 | 112.5 | C26 L29 E30 Q33 L187 E188 Q189 I193 R194 M195 M200 L202 | C26-W191 HydrophobicContact CB-CG 4.33Å; C26-W191 PolarHBondContact O-NE1 2.83Å; L29-W191 HydrophobicContact CB-CD2 3.85Å; L29-W191 HydrophobicContact CB-CE3 4.03Å; L29-W191 HydrophobicContact CB-CH2 3.8Å; L29-W191 HydrophobicContact CB-CZ2 3.62Å; L29-W191 HydrophobicContact CB-CZ3 3.99Å; L29-W191 HydrophobicContact CD1-CD2 4.04Å; L29-W191 HydrophobicContact CD1-CE3 3.95Å; L29-W191 HydrophobicContact CD1-CG 4.37Å; L29-W191 HydrophobicContact CD1-CZ3 4.45Å; L29-W191 WeakPolarHBondContact O-CZ2 3.5Å; E30-W191 WeakPolarHBondContact OE2-CZ2 2.97Å; E30-W191 PolarHBondContact OE2-NE1 2.97Å; Q33-W191 HydrophobicContact CB-CH2 4.04Å; Q33-W191 HydrophobicContact CB-CZ2 4.24Å; L187-W191 VanDerWaalsContact O-CD1 3.3Å; L187-W191 PolarHBondContact O-N 2.86Å; E188-W191 CarbonylContact O-C 3.47Å; E188-W191 PolarHBondContact O-N 2.83Å; Q189-W191 VanDerWaalsContact C-N 3.25Å; Q189-W191 PolarHBondContact O-N 2.67Å; W191-I193 VanDerWaalsContact C-N 3.33Å; W191-I193 PolarHBondContact O-N 3.42Å; W191-R194 HydrophobicContact CE3-CB 4.46Å; W191-R194 WeakPolarHBondContact O-CB 3.43Å; W191-R194 PolarHBondContact O-N 2.79Å; W191-R194 VanDerWaalsContact O-N 3.09Å; W191-M195 HydrophobicContact CB-CE 4.21Å; W191-M195 VanDerWaalsContact O-CG 3.26Å; W191-M195 WeakPolarHBondContact O-CG 3.3Å; W191-M195 PolarHBondContact O-N 3.45Å; W191-M200 HydrophobicContact CE3-CE 3.56Å; W191-M200 HydrophobicContact CE3-SD 4.44Å; W191-M200 HydrophobicContact CZ3-CE 3.82Å; W191-M200 VanDerWaalsContact CZ3-O 3.32Å; W191-M200 WeakPolarHBondContact CZ3-O 3.34Å; W191-L202 HydrophobicContact CH2-CD2 3.53Å; W191-L202 HydrophobicContact CZ3-CD2 3.68Å |
| 192 | L | 96.6 | Very high | 93.7 | Very high | 5 Ų | 5 | 24 Ų | 24 | 3% | 0.026 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -56.8 | -45.8 | 172.2 | -73.9 | 169.4 | 0 | 0 | 0 | 111.7 | F22 V154 L180 S184 E188 Q189 R194 M195 I196 | F22-L192 HydrophobicContact CE1-CD1 4.09Å; F22-L192 HydrophobicContact CE1-CD2 3.8Å; F22-L192 HydrophobicContact CE1-CG 3.61Å; F22-L192 HydrophobicContact CE2-CD2 4.48Å; F22-L192 HydrophobicContact CZ-CD2 3.64Å; F22-L192 HydrophobicContact CZ-CG 3.78Å; V154-L192 HydrophobicContact CG1-CD2 3.57Å; V154-L192 HydrophobicContact CG2-CD2 4.47Å; L180-L192 HydrophobicContact CB-CD1 4.43Å; S184-L192 WeakPolarHBondContact OG-CD1 3.22Å; E188-L192 WeakPolarHBondContact O-CG 3.26Å; E188-L192 PolarHBondContact O-N 3.19Å; Q189-L192 PolarHBondContact O-N 2.95Å; L192-R194 VanDerWaalsContact C-N 3.28Å; L192-R194 PolarHBondContact O-N 2.88Å; L192-M195 PolarHBondContact O-N 2.99Å; L192-M195 VanDerWaalsContact O-N 3.16Å; L192-I196 WeakPolarHBondContact O-CB 3.31Å; L192-I196 VanDerWaalsContact O-CG1 3.28Å; L192-I196 WeakPolarHBondContact O-CG1 3.23Å; L192-I196 PolarHBondContact O-N 3.41Å |
| 193 | I | 96.4 | Very high | 93.9 | Very high | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -56.8 | -45.1 | 175.8 | -69.2 | 164.4 | 0 | 0 | 0 | 110.2 | L95 Y99 F131 A132 T135 Q189 W191 I196 L197 | L95-I193 HydrophobicContact CD1-CG1 4.48Å; L95-I193 HydrophobicContact CD1-CG2 4.08Å; Y99-I193 HydrophobicContact CE2-CD1 3.72Å; Y99-I193 HydrophobicContact CE2-CG1 4.1Å; F131-I193 HydrophobicContact CD1-CG2 3.69Å; F131-I193 HydrophobicContact CE1-CD1 4.4Å; F131-I193 HydrophobicContact CE1-CG2 4.01Å; A132-I193 HydrophobicContact CB-CB 4.09Å; A132-I193 HydrophobicContact CB-CG2 3.73Å; T135-I193 HydrophobicContact CG2-CD1 3.75Å; Q189-I193 WeakPolarHBondContact O-CD1 3.44Å; Q189-I193 WeakPolarHBondContact O-CG1 3.32Å; Q189-I193 PolarHBondContact O-N 3.36Å; W191-I193 VanDerWaalsContact C-N 3.33Å; W191-I193 PolarHBondContact O-N 3.42Å; I193-I196 PolarHBondContact O-N 3.4Å; I193-L197 HydrophobicContact CG2-CD1 3.68Å; I193-L197 HydrophobicContact CG2-CG 4.29Å; I193-L197 VanDerWaalsContact O-CB 3.32Å; I193-L197 WeakPolarHBondContact O-CB 3.37Å; I193-L197 VanDerWaalsContact O-CG 3.22Å; I193-L197 WeakPolarHBondContact O-CG 3.47Å; I193-L197 PolarHBondContact O-N 2.89Å |
| 194 | R | 96.5 | Very high | 94 | Very high | 5 Ų | 5 | 22.5 Ų | 22.5 | 2% | 0.019 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -66.3 | -36.9 | 178.1 | -73.2 | -177.1 | 174.2 | 161.9 | -3.3 | 113.1 | Q33 D130 A132 K190 W191 L192 K198 D199 M200 | Q33-R194 VanDerWaalsContact NE2-CZ 3.31Å; Q33-R194 VanDerWaalsContact NE2-NH2 3.17Å; D130-R194 IonicContact OD2-CZ 3.71Å; D130-R194 IonicContact OD2-NH2 3.86Å; D130-R194 PolarHBondContact OD2-NH2 2.78Å; A132-R194 HydrophobicContact CB-CG 3.67Å; K190-R194 PolarHBondContact O-N 2.8Å; W191-R194 HydrophobicContact CE3-CB 4.46Å; W191-R194 WeakPolarHBondContact O-CB 3.43Å; W191-R194 PolarHBondContact O-N 2.79Å; W191-R194 VanDerWaalsContact O-N 3.09Å; L192-R194 VanDerWaalsContact C-N 3.28Å; L192-R194 PolarHBondContact O-N 2.88Å; R194-K198 CarbonylContact O-C 3.49Å; R194-K198 WeakPolarHBondContact O-CA 3.28Å; R194-K198 PolarHBondContact O-N 2.82Å; R194-D199 WeakPolarHBondContact CB-O 3.46Å; R194-D199 WeakPolarHBondContact CG-O 3.49Å; R194-D199 PolarHBondContact O-N 3.14Å; R194-M200 HydrophobicContact CB-SD 3.82Å |
| 195 | M | 96.9 | Very high | 94 | Very high | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.5 | -44.4 | 175.1 | -68.1 | 166.4 | -175 | 0 | 0 | 111.3 | F22 L25 L29 L76 W191 L192 K198 M200 | F22-M195 HydrophobicContact CE2-CE 3.74Å; F22-M195 HydrophobicContact CE2-SD 3.83Å; F22-M195 HydrophobicContact CZ-CE 3.88Å; F22-M195 HydrophobicContact CZ-SD 3.78Å; L25-M195 HydrophobicContact CD2-CE 4.19Å; L29-M195 HydrophobicContact CD1-CE 3.74Å; L76-M195 HydrophobicContact CB-CE 3.88Å; L76-M195 HydrophobicContact CB-CG 4.46Å; L76-M195 HydrophobicContact CB-SD 3.89Å; L76-M195 HydrophobicContact CD1-SD 4.34Å; L76-M195 HydrophobicContact CD2-SD 3.95Å; L76-M195 HydrophobicContact CG-SD 4.27Å; W191-M195 HydrophobicContact CB-CE 4.21Å; W191-M195 VanDerWaalsContact O-CG 3.26Å; W191-M195 WeakPolarHBondContact O-CG 3.3Å; W191-M195 PolarHBondContact O-N 3.45Å; L192-M195 PolarHBondContact O-N 2.99Å; L192-M195 VanDerWaalsContact O-N 3.16Å; M195-K198 PolarHBondContact O-N 3.03Å; M195-M200 HydrophobicContact CE-CE 3.9Å; M195-M200 HydrophobicContact CG-CE 4.01Å; M195-M200 HydrophobicContact CG-SD 3.73Å |
| 196 | I | 95.4 | Very high | 94 | Very high | 12 Ų | 12 | 27.6 Ų | 27.6 | 6% | 0.062 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.7 | -46 | 177 | -69 | 165.9 | 0 | 0 | 0 | 110.9 | Y88 I90 L158 L177 L192 I193 K198 | Y88-I196 HydrophobicContact CD2-CG2 4.2Å; Y88-I196 WeakPolarHBondContact CD2-O 3.21Å; I90-I196 HydrophobicContact CB-CG2 3.85Å; I90-I196 HydrophobicContact CD1-CG2 4Å; I90-I196 HydrophobicContact CG2-CG2 3.8Å; L158-I196 HydrophobicContact CD2-CD1 4.14Å; L158-I196 HydrophobicContact CD2-CG1 3.7Å; L177-I196 HydrophobicContact CD2-CD1 3.92Å; L192-I196 WeakPolarHBondContact O-CB 3.31Å; L192-I196 VanDerWaalsContact O-CG1 3.28Å; L192-I196 WeakPolarHBondContact O-CG1 3.23Å; L192-I196 PolarHBondContact O-N 3.41Å; I193-I196 PolarHBondContact O-N 3.4Å; I196-K198 PolarHBondContact O-N 2.88Å |
| 197 | L | 94.4 | Very high | 94 | Very high | 46 Ų | 46 | 30.1 Ų | 30.1 | 24% | 0.241 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -74.7 | -8 | 177.2 | -63.9 | 177.3 | 0 | 0 | 0 | 113 | E92 L95 F131 I193 D199 | E92-L197 HydrophobicContact CG-CD1 3.84Å; E92-L197 HydrophobicContact CG-CD2 4.15Å; L95-L197 HydrophobicContact CD1-CD2 4.19Å; L95-L197 HydrophobicContact CD1-CG 4.27Å; F131-L197 HydrophobicContact CD1-CD1 4.24Å; I193-L197 HydrophobicContact CG2-CD1 3.68Å; I193-L197 HydrophobicContact CG2-CG 4.29Å; I193-L197 VanDerWaalsContact O-CB 3.32Å; I193-L197 WeakPolarHBondContact O-CB 3.37Å; I193-L197 VanDerWaalsContact O-CG 3.22Å; I193-L197 WeakPolarHBondContact O-CG 3.47Å; I193-L197 PolarHBondContact O-N 2.89Å; L197-D199 VanDerWaalsContact C-N 3.27Å; L197-D199 PolarHBondContact O-N 3.13Å |
| 198 | K | 94.9 | Very high | 93.9 | Very high | 65 Ų | 65 | 28.8 Ų | 28.8 | 28% | 0.283 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | 34.9 | -177.1 | -52.5 | -171 | 167.8 | -161.1 | 0 | 113.7 | P79 R194 M195 I196 | P79-K198 HydrophobicContact CB-CB 4.37Å; P79-K198 HydrophobicContact CB-CG 4.18Å; P79-K198 HydrophobicContact CG-CB 4.34Å; P79-K198 VanDerWaalsContact O-CD 3.31Å; P79-K198 WeakPolarHBondContact O-CD 3.46Å; R194-K198 CarbonylContact O-C 3.49Å; R194-K198 WeakPolarHBondContact O-CA 3.28Å; R194-K198 PolarHBondContact O-N 2.82Å; M195-K198 PolarHBondContact O-N 3.03Å; I196-K198 PolarHBondContact O-N 2.88Å |
| 199 | D | 91.9 | Very high | 94 | Very high | 79 Ų | 79 | 28.9 Ų | 28.9 | 42% | 0.422 | 16% | 0.16 | S | C | . | . | trans | -134 | 90.2 | 179.2 | -177.8 | 13.2 | 0 | 0 | 0 | 111.4 | R194 L197 K201 | R194-D199 WeakPolarHBondContact CB-O 3.46Å; R194-D199 WeakPolarHBondContact CG-O 3.49Å; R194-D199 PolarHBondContact O-N 3.14Å; L197-D199 VanDerWaalsContact C-N 3.27Å; L197-D199 PolarHBondContact O-N 3.13Å; D199-K201 WeakPolarHBondContact OD1-CG 3.47Å; D199-K201 IonicContact OD1-NZ 2.9Å; D199-K201 WeakPolarHBondContact OD2-CE 3.46Å; D199-K201 IonicContact OD2-NZ 3.57Å; D199-K201 PolarHBondContact OD2-NZ 2.91Å | ||
| 200 | M | 94.2 | Very high | 94 | Very high | 15 Ų | 15 | 28.9 Ų | 28.9 | 7% | 0.074 | 16% | 0.161 | C | C | . | . | trans | -80 | -21.5 | -171.4 | -63.6 | -60.6 | -74.8 | 0 | 0 | 114.7 | L29 L76 P79 W191 R194 M195 L202 | L29-M200 HydrophobicContact CD1-CE 3.66Å; L29-M200 HydrophobicContact CD2-CE 4.35Å; L76-M200 WeakPolarHBondContact O-CE 3.35Å; P79-M200 HydrophobicContact CG-CG 3.82Å; P79-M200 HydrophobicContact CG-SD 4.1Å; W191-M200 HydrophobicContact CE3-CE 3.56Å; W191-M200 HydrophobicContact CE3-SD 4.44Å; W191-M200 HydrophobicContact CZ3-CE 3.82Å; W191-M200 VanDerWaalsContact CZ3-O 3.32Å; W191-M200 WeakPolarHBondContact CZ3-O 3.34Å; R194-M200 HydrophobicContact CB-SD 3.82Å; M195-M200 HydrophobicContact CE-CE 3.9Å; M195-M200 HydrophobicContact CG-CE 4.01Å; M195-M200 HydrophobicContact CG-SD 3.73Å; M200-L202 VanDerWaalsContact C-N 3.26Å; M200-L202 HydrophobicContact CB-CD1 4.21Å; M200-L202 HydrophobicContact CB-CG 3.91Å; M200-L202 PolarHBondContact O-N 3.27Å; M200-L202 VanDerWaalsContact O-N 3.16Å | ||
| 201 | K | 91.4 | Very high | 94 | Very high | 68 Ų | 68 | 33.8 Ų | 33.8 | 30% | 0.296 | 18% | 0.183 | S | C | . | . | trans | 49.1 | 39.1 | 179.6 | -52.9 | -174.5 | -172.1 | -58.7 | 0 | 115.1 | Q33 D130 D199 G203 | Q33-K201 PolarHBondContact NE2-O 3.44Å; D130-K201 WeakPolarHBondContact OD2-CD 3.4Å; D199-K201 WeakPolarHBondContact OD1-CG 3.47Å; D199-K201 IonicContact OD1-NZ 2.9Å; D199-K201 WeakPolarHBondContact OD2-CE 3.46Å; D199-K201 IonicContact OD2-NZ 3.57Å; D199-K201 PolarHBondContact OD2-NZ 2.91Å; K201-G203 VanDerWaalsContact C-N 3.31Å; K201-G203 PolarHBondContact O-N 3.28Å | ||
| 202 | L | 91.6 | Very high | 93.9 | Very high | 12 Ų | 12 | 34.6 Ų | 34.6 | 6% | 0.063 | 19% | 0.188 | C | C | . | . | trans | -74 | -19.8 | -177 | -63.3 | 175.2 | 0 | 0 | 0 | 114 | L29 I32 K41 I77 W191 M200 V204 | L29-L202 HydrophobicContact CB-CD2 4.23Å; L29-L202 HydrophobicContact CD2-CD1 3.95Å; L29-L202 HydrophobicContact CD2-CD2 3.82Å; I32-L202 HydrophobicContact CG2-CB 4.13Å; I32-L202 HydrophobicContact CG2-CD2 4.28Å; K41-L202 PolarHBondContact NZ-O 3.37Å; I77-L202 HydrophobicContact CG2-CD1 4.33Å; W191-L202 HydrophobicContact CH2-CD2 3.53Å; W191-L202 HydrophobicContact CZ3-CD2 3.68Å; M200-L202 VanDerWaalsContact C-N 3.26Å; M200-L202 HydrophobicContact CB-CD1 4.21Å; M200-L202 HydrophobicContact CB-CG 3.91Å; M200-L202 PolarHBondContact O-N 3.27Å; M200-L202 VanDerWaalsContact O-N 3.16Å; L202-V204 HydrophobicContact CB-CG2 3.84Å; L202-V204 HydrophobicContact CD1-CG2 4.42Å; L202-V204 PolarHBondContact O-N 3.48Å | ||
| 203 | G | 89.1 | Confident | 94 | Very high | 61 Ų | 61 | 34.4 Ų | 34.4 | 63% | 0.629 | 19% | 0.187 | S | C | * | . | S | Bend | trans | 76.5 | 8.2 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | K201 | K201-G203 VanDerWaalsContact C-N 3.31Å; K201-G203 PolarHBondContact O-N 3.28Å |
| 204 | V | 90.6 | Very high | 94 | Very high | 27 Ų | 27 | 34.7 Ų | 34.7 | 16% | 0.164 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -113.8 | 149.3 | 164.2 | -66.9 | 0 | 0 | 0 | 0 | 109.3 | K41 L202 V209 | K41-V204 HydrophobicContact CB-CG1 3.69Å; K41-V204 HydrophobicContact CD-CG1 3.74Å; K41-V204 HydrophobicContact CG-CG1 4.37Å; L202-V204 HydrophobicContact CB-CG2 3.84Å; L202-V204 HydrophobicContact CD1-CG2 4.42Å; L202-V204 PolarHBondContact O-N 3.48Å; V204-V209 HydrophobicContact CG2-CG2 4.09Å |
| 205 | S | 91.9 | Very high | 93.9 | Very high | 49 Ų | 49 | 41.1 Ų | 41.1 | 34% | 0.343 | 22% | 0.222 | S | C | . | . | trans | -74.6 | 153.9 | 175.1 | 90.4 | 0 | 0 | 0 | 0 | 110.2 | E207 T208 V209 | S205-E207 WeakPolarHBondContact CB-OE2 3.38Å; S205-E207 PolarHBondContact O-N 3.34Å; S205-E207 PolarHBondContact OG-N 2.88Å; S205-E207 PolarHBondContact OG-OE2 3.11Å; S205-T208 VanDerWaalsContact O-CB 3.31Å; S205-T208 WeakPolarHBondContact O-CB 3.47Å; S205-T208 PolarHBondContact O-N 3.41Å; S205-T208 VanDerWaalsContact O-N 3.09Å; S205-T208 PolarHBondContact OG-N 3.11Å; S205-T208 VanDerWaalsContact OG-N 3.07Å; S205-T208 PolarHBondContact OG-OG1 3.12Å; S205-V209 PolarHBondContact O-N 2.79Å; S205-V209 VanDerWaalsContact O-N 3.16Å | ||
| 206 | K | 92.1 | Very high | 93.8 | Very high | 84 Ų | 84 | 42.3 Ų | 42.3 | 37% | 0.365 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61.9 | -31.4 | 175.8 | 58.6 | -170.4 | -171.6 | 172.5 | 0 | 112.3 | V78 F81 V209 L210 | V78-K206 HydrophobicContact CG1-CB 3.9Å; F81-K206 HydrophobicContact CD1-CD 3.99Å; F81-K206 HydrophobicContact CD2-CB 4.32Å; F81-K206 HydrophobicContact CE1-CD 3.35Å; F81-K206 HydrophobicContact CE1-CG 4Å; F81-K206 HydrophobicContact CE2-CB 3.81Å; F81-K206 HydrophobicContact CE2-CD 4.01Å; F81-K206 HydrophobicContact CE2-CG 3.75Å; F81-K206 HydrophobicContact CZ-CB 4.03Å; F81-K206 HydrophobicContact CZ-CD 3.35Å; F81-K206 VanDerWaalsContact CZ-CE 3.42Å; F81-K206 HydrophobicContact CZ-CG 3.43Å; F81-K206 VanDerWaalsContact CZ-CG 3.43Å; K206-V209 WeakPolarHBondContact O-CB 3.23Å; K206-V209 PolarHBondContact O-N 3.04Å; K206-L210 PolarHBondContact O-N 3.2Å |
| 207 | E | 91.4 | Very high | 93.9 | Very high | 63 Ų | 63 | 41.7 Ų | 41.7 | 29% | 0.294 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -68.3 | -38.1 | 173.4 | -55.8 | 73.4 | -158.9 | 0 | 0 | 111.1 | S205 V209 L210 Q211 | S205-E207 WeakPolarHBondContact CB-OE2 3.38Å; S205-E207 PolarHBondContact O-N 3.34Å; S205-E207 PolarHBondContact OG-N 2.88Å; S205-E207 PolarHBondContact OG-OE2 3.11Å; E207-V209 VanDerWaalsContact C-N 3.28Å; E207-V209 PolarHBondContact O-N 3Å; E207-L210 PolarHBondContact O-N 3.44Å; E207-Q211 WeakPolarHBondContact O-CG 3.45Å; E207-Q211 PolarHBondContact O-N 3.12Å |
| 208 | T | 93.2 | Very high | 93.9 | Very high | 8 Ų | 8 | 40.4 Ų | 40.4 | 5% | 0.049 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.2 | -38.3 | 174.1 | -50.8 | 0 | 0 | 0 | 0 | 110.6 | R38 S205 L210 Q211 V212 | R38-T208 PolarHBondContact NH2-OG1 3.07Å; S205-T208 VanDerWaalsContact O-CB 3.31Å; S205-T208 WeakPolarHBondContact O-CB 3.47Å; S205-T208 PolarHBondContact O-N 3.41Å; S205-T208 VanDerWaalsContact O-N 3.09Å; S205-T208 PolarHBondContact OG-N 3.11Å; S205-T208 VanDerWaalsContact OG-N 3.07Å; S205-T208 PolarHBondContact OG-OG1 3.12Å; T208-L210 VanDerWaalsContact C-N 3.34Å; T208-L210 PolarHBondContact O-N 3.35Å; T208-Q211 PolarHBondContact O-N 3.36Å; T208-V212 HydrophobicContact CG2-CG2 4.4Å; T208-V212 VanDerWaalsContact O-CG2 3.28Å; T208-V212 WeakPolarHBondContact O-CG2 3.38Å; T208-V212 PolarHBondContact O-N 3.3Å |
| 209 | V | 96.5 | Very high | 93.8 | Very high | 3 Ų | 3 | 42.4 Ų | 42.4 | 2% | 0.018 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.1 | -45 | 175.5 | 174.4 | 0 | 0 | 0 | 0 | 111 | L45 M74 I77 V78 V204 S205 K206 E207 V212 F213 | L45-V209 HydrophobicContact CD2-CB 4.2Å; L45-V209 HydrophobicContact CD2-CG1 4.01Å; L45-V209 HydrophobicContact CD2-CG2 4.03Å; M74-V209 HydrophobicContact CE-CG1 4.38Å; M74-V209 HydrophobicContact SD-CG1 3.81Å; I77-V209 HydrophobicContact CG2-CG1 3.76Å; I77-V209 HydrophobicContact CG2-CG2 4.23Å; V78-V209 HydrophobicContact CG1-CB 3.88Å; V78-V209 HydrophobicContact CG1-CG1 3.85Å; V78-V209 HydrophobicContact CG1-CG2 4.05Å; V204-V209 HydrophobicContact CG2-CG2 4.09Å; S205-V209 PolarHBondContact O-N 2.79Å; S205-V209 VanDerWaalsContact O-N 3.16Å; K206-V209 WeakPolarHBondContact O-CB 3.23Å; K206-V209 PolarHBondContact O-N 3.04Å; E207-V209 VanDerWaalsContact C-N 3.28Å; E207-V209 PolarHBondContact O-N 3Å; V209-V212 PolarHBondContact O-N 3.21Å; V209-F213 PolarHBondContact O-N 3.45Å; V209-F213 VanDerWaalsContact O-N 3.17Å |
| 210 | L | 96.6 | Very high | 94 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.1 | -45.3 | 175.7 | -65.1 | -177.8 | 0 | 0 | 0 | 111.6 | M74 F81 K206 E207 T208 V212 F213 H214 A217 A218 Y221 L227 | M74-L210 HydrophobicContact CE-CD2 4.25Å; M74-L210 HydrophobicContact SD-CD2 4.23Å; F81-L210 HydrophobicContact CD2-CD1 4.14Å; F81-L210 HydrophobicContact CE2-CD1 3.67Å; F81-L210 HydrophobicContact CE2-CG 4.24Å; K206-L210 PolarHBondContact O-N 3.2Å; E207-L210 PolarHBondContact O-N 3.44Å; T208-L210 VanDerWaalsContact C-N 3.34Å; T208-L210 PolarHBondContact O-N 3.35Å; L210-V212 VanDerWaalsContact C-N 3.3Å; L210-V212 PolarHBondContact O-N 3.4Å; L210-F213 WeakPolarHBondContact O-CA 3.28Å; L210-F213 WeakPolarHBondContact O-CB 3.23Å; L210-F213 PolarHBondContact O-N 3.02Å; L210-H214 PolarHBondContact O-N 3.05Å; L210-A217 HydrophobicContact CB-CB 3.98Å; L210-A217 WeakPolarHBondContact O-CB 3.32Å; L210-A218 HydrophobicContact CB-CB 4.4Å; L210-Y221 HydrophobicContact CD1-CD1 4.17Å; L210-Y221 HydrophobicContact CD1-CG 3.95Å; L210-L227 HydrophobicContact CD2-CD2 4.07Å |
| 211 | Q | 94.8 | Very high | 94.1 | Very high | 105 Ų | 105 | 38.3 Ų | 38.3 | 49% | 0.491 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -61.7 | -34.6 | 177.8 | -72 | 171.7 | -15.6 | 0 | 0 | 113.4 | E207 T208 F213 | E207-Q211 WeakPolarHBondContact O-CG 3.45Å; E207-Q211 PolarHBondContact O-N 3.12Å; T208-Q211 PolarHBondContact O-N 3.36Å; Q211-F213 VanDerWaalsContact C-N 3.3Å |
| 212 | V | 96.3 | Very high | 94.3 | Very high | 16 Ų | 16 | 36.2 Ų | 36.2 | 10% | 0.097 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -69.6 | -31.8 | 174.3 | 171.9 | 0 | 0 | 0 | 0 | 111.1 | L45 R46 I49 T208 V209 L210 | L45-V212 HydrophobicContact CB-CG1 4.27Å; L45-V212 HydrophobicContact CD2-CB 4Å; L45-V212 HydrophobicContact CD2-CG1 3.91Å; L45-V212 HydrophobicContact CD2-CG2 4.41Å; L45-V212 HydrophobicContact CG-CG1 3.92Å; R46-V212 HydrophobicContact CB-CG1 3.97Å; I49-V212 HydrophobicContact CD1-CG1 4.12Å; T208-V212 HydrophobicContact CG2-CG2 4.4Å; T208-V212 VanDerWaalsContact O-CG2 3.28Å; T208-V212 WeakPolarHBondContact O-CG2 3.38Å; T208-V212 PolarHBondContact O-N 3.3Å; V209-V212 PolarHBondContact O-N 3.21Å; L210-V212 VanDerWaalsContact C-N 3.3Å; L210-V212 PolarHBondContact O-N 3.4Å |
| 213 | F | 97.6 | Very high | 94.5 | Very high | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.009 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -72.8 | -49.7 | 176.6 | 176.6 | -102.2 | 0 | 0 | 0 | 112.4 | I49 R53 F70 M74 V209 L210 Q211 A217 V230 C231 L234 | I49-F213 HydrophobicContact CD1-CB 4.29Å; I49-F213 HydrophobicContact CD1-CD2 4.41Å; I49-F213 HydrophobicContact CG2-CD2 4.1Å; R53-F213 PolarHBondContact NH1-O 3.15Å; R53-F213 PolarHBondContact NH2-O 2.93Å; F70-F213 HydrophobicContact CB-CD2 4.49Å; F70-F213 HydrophobicContact CB-CE2 3.66Å; F70-F213 HydrophobicContact CB-CZ 4.29Å; F70-F213 AromaticContact CD1-CD2 3.83Å; F70-F213 HydrophobicContact CD1-CD2 3.83Å; F70-F213 AromaticContact CD1-CE2 3.86Å; F70-F213 HydrophobicContact CD1-CE2 3.86Å; F70-F213 HydrophobicContact CE1-CD2 4.49Å; F70-F213 HydrophobicContact CG-CD2 4.37Å; F70-F213 AromaticContact CG-CE2 3.99Å; F70-F213 HydrophobicContact CG-CE2 3.99Å; M74-F213 HydrophobicContact CE-CB 3.63Å; M74-F213 HydrophobicContact CE-CD1 4.16Å; M74-F213 HydrophobicContact CE-CD2 3.92Å; M74-F213 HydrophobicContact CE-CG 3.62Å; V209-F213 PolarHBondContact O-N 3.45Å; V209-F213 VanDerWaalsContact O-N 3.17Å; L210-F213 WeakPolarHBondContact O-CA 3.28Å; L210-F213 WeakPolarHBondContact O-CB 3.23Å; L210-F213 PolarHBondContact O-N 3.02Å; Q211-F213 VanDerWaalsContact C-N 3.3Å; F213-A217 HydrophobicContact CD1-CB 4.15Å; F213-V230 HydrophobicContact CE1-CG1 4.45Å; F213-C231 HydrophobicContact CZ-CB 4.36Å; F213-L234 HydrophobicContact CE1-CB 4.16Å; F213-L234 WeakPolarHBondContact CE1-O 3.35Å; F213-L234 WeakPolarHBondContact CZ-O 3.19Å |
| 214 | H | 97.2 | Very high | 94.8 | Very high | 6 Ų | 6 | 33.7 Ų | 33.7 | 3% | 0.028 | 18% | 0.175 | C | C | . | . | trans | -159.4 | 148.6 | 176.8 | -166.8 | -76.5 | 0 | 0 | 0 | 110.4 | L210 D216 A217 L234 D236 V239 | L210-H214 PolarHBondContact O-N 3.05Å; H214-D216 IonicContact CE1-OD2 2.96Å; H214-D216 PolarHBondContact CE1-OD2 3.17Å; H214-D216 PolarHBondContact ND1-N 3.33Å; H214-D216 IonicContact ND1-OD2 2.67Å; H214-D216 PolarHBondContact O-N 2.78Å; H214-A217 HydrophobicContact CB-CB 3.96Å; H214-A217 WeakPolarHBondContact O-CB 3.49Å; H214-A217 PolarHBondContact O-N 3.42Å; H214-L234 HydrophobicContact CB-CB 3.96Å; H214-L234 HydrophobicContact CB-CD1 4.13Å; H214-D236 PolarHBondContact CD2-O 2.76Å; H214-D236 VanDerWaalsContact CD2-O 3.29Å; H214-D236 PolarHBondContact NE2-O 2.74Å; H214-V239 PolarHBondContact NE2-O 3Å; H214-V239 VanDerWaalsContact NE2-O 3.15Å | ||
| 215 | L | 94 | Very high | 95 | Very high | 140 Ų | 140 | 32.7 Ų | 32.7 | 73% | 0.733 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -47.7 | 178.7 | -65.8 | 176.8 | 0 | 0 | 0 | 111.9 | A217 | L215-A217 VanDerWaalsContact C-N 3.3Å; L215-A217 PolarHBondContact O-N 2.95Å |
| 216 | D | 95.4 | Very high | 95.1 | Very high | 26 Ų | 26 | 33 Ų | 33 | 14% | 0.139 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -6.3 | -179.2 | -50.3 | -12.4 | 0 | 0 | 0 | 114.5 | H214 A218 E219 L220 L234 S240 L241 | H214-D216 IonicContact CE1-OD2 2.96Å; H214-D216 PolarHBondContact CE1-OD2 3.17Å; H214-D216 PolarHBondContact ND1-N 3.33Å; H214-D216 IonicContact ND1-OD2 2.67Å; H214-D216 PolarHBondContact O-N 2.78Å; D216-A218 VanDerWaalsContact C-N 3.33Å; D216-A218 PolarHBondContact O-N 3.22Å; D216-E219 PolarHBondContact O-N 2.8Å; D216-L220 WeakPolarHBondContact O-CB 3.44Å; D216-L220 PolarHBondContact O-N 3.2Å; D216-L234 HydrophobicContact CB-CD1 4.03Å; D216-L234 HydrophobicContact CB-CD2 4.26Å; D216-S240 WeakPolarHBondContact OD2-CA 3.38Å; D216-S240 WeakPolarHBondContact OD2-CB 3.38Å; D216-S240 PolarHBondContact OD2-OG 2.66Å; D216-L241 PolarHBondContact OD2-N 2.8Å |
| 217 | A | 96.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.8 | -35.9 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | L210 F213 H214 L215 Y221 V230 L234 | L210-A217 HydrophobicContact CB-CB 3.98Å; L210-A217 WeakPolarHBondContact O-CB 3.32Å; F213-A217 HydrophobicContact CD1-CB 4.15Å; H214-A217 HydrophobicContact CB-CB 3.96Å; H214-A217 WeakPolarHBondContact O-CB 3.49Å; H214-A217 PolarHBondContact O-N 3.42Å; L215-A217 VanDerWaalsContact C-N 3.3Å; L215-A217 PolarHBondContact O-N 2.95Å; A217-Y221 WeakPolarHBondContact O-CB 3.28Å; A217-Y221 PolarHBondContact O-N 3.29Å; A217-V230 HydrophobicContact CB-CG1 3.74Å; A217-L234 VanDerWaalsContact CA-CD1 3.42Å; A217-L234 HydrophobicContact CB-CD1 3.91Å |
| 218 | A | 94.8 | Very high | 95.5 | Very high | 18 Ų | 18 | 28.2 Ų | 28.2 | 15% | 0.149 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -66.8 | -41.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L210 D216 N222 | L210-A218 HydrophobicContact CB-CB 4.4Å; D216-A218 VanDerWaalsContact C-N 3.33Å; D216-A218 PolarHBondContact O-N 3.22Å; A218-N222 WeakPolarHBondContact O-CB 3.27Å; A218-N222 PolarHBondContact O-N 2.86Å; A218-N222 PolarHBondContact O-ND2 3.1Å; A218-N222 PolarHBondContact O-OD1 3.08Å |
| 219 | E | 93.9 | Very high | 95.6 | Very high | 107 Ų | 107 | 30 Ų | 30 | 50% | 0.5 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -68.6 | -47 | 179.6 | -167.2 | 175.5 | 179.2 | 0 | 0 | 111.4 | D216 Y221 N222 V223 V244 | D216-E219 PolarHBondContact O-N 2.8Å; E219-Y221 VanDerWaalsContact C-N 3.32Å; E219-Y221 PolarHBondContact O-N 3.28Å; E219-N222 WeakPolarHBondContact O-CB 3.26Å; E219-N222 PolarHBondContact O-N 3.22Å; E219-V223 PolarHBondContact O-N 2.82Å; E219-V244 HydrophobicContact CB-CG1 4.35Å; E219-V244 HydrophobicContact CG-CB 4.13Å; E219-V244 HydrophobicContact CG-CG1 3.81Å |
| 220 | L | 95.7 | Very high | 95.5 | Very high | 8 Ų | 8 | 29.9 Ų | 29.9 | 4% | 0.042 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.4 | -41.3 | 176.4 | -178.7 | 63.5 | 0 | 0 | 0 | 111.6 | D216 N222 V223 T224 V230 Q233 L234 L241 V244 | D216-L220 WeakPolarHBondContact O-CB 3.44Å; D216-L220 PolarHBondContact O-N 3.2Å; L220-N222 VanDerWaalsContact C-N 3.3Å; L220-N222 PolarHBondContact O-N 2.81Å; L220-V223 HydrophobicContact CD1-CG2 4.42Å; L220-V223 WeakPolarHBondContact O-CG2 3.42Å; L220-V223 PolarHBondContact O-N 2.84Å; L220-T224 HydrophobicContact CD1-CG2 3.88Å; L220-T224 HydrophobicContact CG-CG2 4.48Å; L220-T224 WeakPolarHBondContact O-CB 3.47Å; L220-T224 WeakPolarHBondContact O-CG2 2.91Å; L220-T224 PolarHBondContact O-N 3.18Å; L220-T224 VanDerWaalsContact O-N 3.08Å; L220-T224 PolarHBondContact O-OG1 2.74Å; L220-V230 HydrophobicContact CB-CG2 4.21Å; L220-V230 HydrophobicContact CD2-CB 4.35Å; L220-V230 HydrophobicContact CD2-CG2 3.93Å; L220-V230 HydrophobicContact CG-CG2 3.88Å; L220-Q233 HydrophobicContact CD2-CB 4.22Å; L220-L234 HydrophobicContact CB-CD1 4.25Å; L220-L234 HydrophobicContact CD2-CD1 3.78Å; L220-L234 HydrophobicContact CD2-CG 3.93Å; L220-L241 HydrophobicContact CB-CD1 4.48Å; L220-L241 HydrophobicContact CD1-CD1 4.03Å; L220-L241 HydrophobicContact CD2-CD1 3.82Å; L220-L241 HydrophobicContact CG-CD1 4.33Å; L220-V244 HydrophobicContact CB-CG1 4.31Å; L220-V244 HydrophobicContact CD1-CG1 4.3Å |
| 221 | Y | 96.3 | Very high | 95.5 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 0% | 0.004 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.6 | -37.2 | 174.6 | -175.6 | -99.2 | 0 | 0 | 0 | 111.8 | F81 L210 A217 E219 V223 T224 T225 L227 V230 | F81-Y221 WeakPolarHBondContact CA-OH 3.36Å; F81-Y221 HydrophobicContact CB-CE1 4.27Å; F81-Y221 HydrophobicContact CB-CE2 3.96Å; F81-Y221 WeakPolarHBondContact CB-OH 3.38Å; F81-Y221 AromaticContact CD1-CE1 3.55Å; F81-Y221 HydrophobicContact CD1-CE1 3.55Å; F81-Y221 AromaticContact CD1-CZ 3.63Å; F81-Y221 VanDerWaalsContact CD1-OH 3.27Å; F81-Y221 WeakPolarHBondContact CD1-OH 3.34Å; F81-Y221 HydrophobicContact CD2-CD1 4.28Å; F81-Y221 AromaticContact CD2-CE1 3.85Å; F81-Y221 HydrophobicContact CD2-CE1 3.85Å; F81-Y221 HydrophobicContact CD2-CE2 4.43Å; F81-Y221 AromaticContact CD2-CZ 3.94Å; F81-Y221 HydrophobicContact CE1-CD1 4.4Å; F81-Y221 AromaticContact CE1-CE1 3.58Å; F81-Y221 HydrophobicContact CE1-CE1 3.58Å; F81-Y221 HydrophobicContact CE2-CD1 4.13Å; F81-Y221 AromaticContact CE2-CE1 3.94Å; F81-Y221 HydrophobicContact CE2-CE1 3.94Å; F81-Y221 AromaticContact CG-CE1 3.65Å; F81-Y221 HydrophobicContact CG-CE1 3.65Å; F81-Y221 HydrophobicContact CG-CE2 4.19Å; F81-Y221 AromaticContact CG-CZ 3.46Å; F81-Y221 VanDerWaalsContact CG-CZ 3.46Å; F81-Y221 WeakPolarHBondContact CG-OH 3.48Å; F81-Y221 HydrophobicContact CZ-CD1 4.17Å; F81-Y221 AromaticContact CZ-CE1 3.78Å; F81-Y221 HydrophobicContact CZ-CE1 3.78Å; F81-Y221 PolarHBondContact O-OH 3.24Å; L210-Y221 HydrophobicContact CD1-CD1 4.17Å; L210-Y221 HydrophobicContact CD1-CG 3.95Å; A217-Y221 WeakPolarHBondContact O-CB 3.28Å; A217-Y221 PolarHBondContact O-N 3.29Å; E219-Y221 VanDerWaalsContact C-N 3.32Å; E219-Y221 PolarHBondContact O-N 3.28Å; Y221-V223 VanDerWaalsContact C-N 3.25Å; Y221-V223 PolarHBondContact O-N 3.04Å; Y221-T224 PolarHBondContact O-N 3.04Å; Y221-T225 HydrophobicContact CE1-CG2 4.36Å; Y221-T225 HydrophobicContact CE2-CG2 4.23Å; Y221-T225 VanDerWaalsContact O-CA 3.24Å; Y221-T225 WeakPolarHBondContact O-CA 3.37Å; Y221-T225 PolarHBondContact O-N 2.81Å; Y221-T225 WeakPolarHBondContact OH-CG2 3.43Å; Y221-L227 HydrophobicContact CD2-CD2 3.81Å; Y221-L227 HydrophobicContact CD2-CG 4.29Å; Y221-L227 HydrophobicContact CE2-CD2 3.78Å; Y221-L227 HydrophobicContact CE2-CG 3.88Å; Y221-V230 HydrophobicContact CD2-CG2 4.39Å |
| 222 | N | 95.6 | Very high | 95.5 | Very high | 23 Ų | 23 | 31 Ų | 31 | 12% | 0.123 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -66 | -27 | 179.7 | -73.1 | -10.1 | 0 | 0 | 0 | 113.2 | A218 E219 L220 F252 K253 P446 | A218-N222 WeakPolarHBondContact O-CB 3.27Å; A218-N222 PolarHBondContact O-N 2.86Å; A218-N222 PolarHBondContact O-ND2 3.1Å; A218-N222 PolarHBondContact O-OD1 3.08Å; E219-N222 WeakPolarHBondContact O-CB 3.26Å; E219-N222 PolarHBondContact O-N 3.22Å; L220-N222 VanDerWaalsContact C-N 3.3Å; L220-N222 PolarHBondContact O-N 2.81Å; N222-F252 CarbonylContact O-C 3.59Å; N222-F252 VanDerWaalsContact O-CA 3.28Å; N222-F252 WeakPolarHBondContact O-CA 3.08Å; N222-F252 WeakPolarHBondContact O-CB 3.47Å; N222-K253 HydrophobicContact CB-CG 4.44Å; N222-K253 PolarHBondContact O-N 2.89Å; N222-P446 HydrophobicContact CB-CB 4.1Å |
| 223 | V | 95.9 | Very high | 95.4 | Very high | 9 Ų | 9 | 34.8 Ų | 34.8 | 6% | 0.055 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -98 | -12.9 | 178.8 | -55.2 | 0 | 0 | 0 | 0 | 113.9 | E219 L220 Y221 V244 I246 P446 | E219-V223 PolarHBondContact O-N 2.82Å; L220-V223 HydrophobicContact CD1-CG2 4.42Å; L220-V223 WeakPolarHBondContact O-CG2 3.42Å; L220-V223 PolarHBondContact O-N 2.84Å; Y221-V223 VanDerWaalsContact C-N 3.25Å; Y221-V223 PolarHBondContact O-N 3.04Å; V223-V244 HydrophobicContact CG1-CG1 4.34Å; V223-V244 HydrophobicContact CG2-CG1 3.54Å; V223-I246 HydrophobicContact CB-CG1 4.45Å; V223-I246 HydrophobicContact CG1-CG1 4.21Å; V223-P446 HydrophobicContact CG1-CG 4.1Å |
| 224 | T | 94.6 | Very high | 95.4 | Very high | 11 Ų | 11 | 34.8 Ų | 34.8 | 7% | 0.067 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -118.5 | -27.7 | -177.9 | 61.9 | 0 | 0 | 0 | 0 | 114.9 | L220 Y221 D226 K229 A251 | L220-T224 HydrophobicContact CD1-CG2 3.88Å; L220-T224 HydrophobicContact CG-CG2 4.48Å; L220-T224 WeakPolarHBondContact O-CB 3.47Å; L220-T224 WeakPolarHBondContact O-CG2 2.91Å; L220-T224 PolarHBondContact O-N 3.18Å; L220-T224 VanDerWaalsContact O-N 3.08Å; L220-T224 PolarHBondContact O-OG1 2.74Å; Y221-T224 PolarHBondContact O-N 3.04Å; T224-D226 PolarHBondContact O-N 3.4Å; T224-D226 VanDerWaalsContact O-N 3.12Å; T224-D226 PolarHBondContact OG1-N 3Å; T224-K229 HydrophobicContact CG2-CD 3.94Å; T224-A251 CarbonylContact C-O 3.42Å; T224-A251 WeakPolarHBondContact CA-O 3.49Å; T224-A251 VanDerWaalsContact O-O 3.06Å |
| 225 | T | 95.5 | Very high | 95.2 | Very high | 6 Ų | 6 | 36.8 Ų | 36.8 | 4% | 0.037 | 18% | 0.179 | C | C | . | . | trans | 48.1 | 31.2 | -169.2 | -44.4 | 0 | 0 | 0 | 0 | 113.3 | R83 Y221 A251 S301 | R83-T225 HydrophobicContact CG-CG2 3.98Å; Y221-T225 HydrophobicContact CE1-CG2 4.36Å; Y221-T225 HydrophobicContact CE2-CG2 4.23Å; Y221-T225 VanDerWaalsContact O-CA 3.24Å; Y221-T225 WeakPolarHBondContact O-CA 3.37Å; Y221-T225 PolarHBondContact O-N 2.81Å; Y221-T225 WeakPolarHBondContact OH-CG2 3.43Å; T225-A251 WeakPolarHBondContact CB-O 3.38Å; T225-A251 PolarHBondContact N-O 3.41Å; T225-A251 VanDerWaalsContact N-O 3.16Å; T225-A251 PolarHBondContact OG1-O 3.08Å; T225-S301 WeakPolarHBondContact CG2-OG 3.13Å; T225-S301 PolarHBondContact OG1-OG 2.77Å; T225-S301 VanDerWaalsContact OG1-OG 3.11Å | ||
| 226 | D | 94.4 | Very high | 95.1 | Very high | 56 Ų | 56 | 33.7 Ų | 33.7 | 30% | 0.299 | 16% | 0.163 | S | C | . | . | trans | -124.1 | 103.8 | -174.3 | -177 | -17.2 | 0 | 0 | 0 | 110 | T224 N228 K229 V230 | T224-D226 PolarHBondContact O-N 3.4Å; T224-D226 VanDerWaalsContact O-N 3.12Å; T224-D226 PolarHBondContact OG1-N 3Å; D226-N228 VanDerWaalsContact C-N 3.28Å; D226-N228 PolarHBondContact O-N 2.91Å; D226-N228 WeakPolarHBondContact OD1-CA 3.43Å; D226-N228 WeakPolarHBondContact OD1-CB 3.29Å; D226-N228 PolarHBondContact OD1-N 2.75Å; D226-K229 HydrophobicContact CB-CB 3.86Å; D226-K229 VanDerWaalsContact CG-CB 3.49Å; D226-K229 PolarHBondContact OD1-N 2.75Å; D226-V230 VanDerWaalsContact O-CG2 3.24Å; D226-V230 WeakPolarHBondContact O-CG2 3.29Å; D226-V230 PolarHBondContact O-N 3.32Å | ||
| 227 | L | 95.7 | Very high | 95 | Very high | 5 Ų | 5 | 34.6 Ų | 34.6 | 3% | 0.026 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.4 | -31.6 | 178.3 | -74.1 | 179.6 | 0 | 0 | 0 | 112.6 | Y71 M74 V78 F81 L210 Y221 V230 C231 | Y71-L227 HydrophobicContact CD2-CB 3.85Å; Y71-L227 HydrophobicContact CE2-CB 3.74Å; M74-L227 HydrophobicContact CG-CD1 4.42Å; M74-L227 HydrophobicContact CG-CD2 4.09Å; V78-L227 HydrophobicContact CG2-CD1 3.95Å; V78-L227 HydrophobicContact CG2-CD2 4.2Å; F81-L227 HydrophobicContact CB-CD1 3.77Å; F81-L227 HydrophobicContact CB-CD2 4.03Å; F81-L227 HydrophobicContact CB-CG 4.02Å; F81-L227 HydrophobicContact CD2-CD2 4.36Å; L210-L227 HydrophobicContact CD2-CD2 4.07Å; Y221-L227 HydrophobicContact CD2-CD2 3.81Å; Y221-L227 HydrophobicContact CD2-CG 4.29Å; Y221-L227 HydrophobicContact CE2-CD2 3.78Å; Y221-L227 HydrophobicContact CE2-CG 3.88Å; L227-V230 PolarHBondContact O-N 3.06Å; L227-C231 WeakPolarHBondContact O-CB 3.29Å; L227-C231 PolarHBondContact O-N 3.41Å; L227-C231 PolarHBondContact O-SG 3.49Å |
| 228 | N | 95.3 | Very high | 94.8 | Very high | 41 Ų | 41 | 43.5 Ų | 43.5 | 22% | 0.219 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -69 | -48 | -179.8 | -171.7 | -2.2 | 0 | 0 | 0 | 109.4 | Y71 D226 V230 C231 R232 | Y71-N228 HydrophobicContact CD1-CB 3.93Å; Y71-N228 VanDerWaalsContact CD2-CA 3.46Å; Y71-N228 HydrophobicContact CD2-CB 3.76Å; Y71-N228 HydrophobicContact CE1-CB 4.05Å; Y71-N228 HydrophobicContact CE2-CB 3.92Å; Y71-N228 HydrophobicContact CG-CB 3.78Å; D226-N228 VanDerWaalsContact C-N 3.28Å; D226-N228 PolarHBondContact O-N 2.91Å; D226-N228 WeakPolarHBondContact OD1-CA 3.43Å; D226-N228 WeakPolarHBondContact OD1-CB 3.29Å; D226-N228 PolarHBondContact OD1-N 2.75Å; N228-V230 VanDerWaalsContact C-N 3.33Å; N228-V230 PolarHBondContact O-N 3.44Å; N228-C231 PolarHBondContact O-N 3.16Å; N228-R232 WeakPolarHBondContact O-CB 3.16Å; N228-R232 WeakPolarHBondContact O-CG 3.37Å; N228-R232 PolarHBondContact O-N 3.02Å; N228-R232 WeakPolarHBondContact OD1-CD 3.45Å |
| 229 | K | 94.4 | Very high | 94.7 | Very high | 47 Ų | 47 | 46.6 Ų | 46.6 | 20% | 0.204 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -57.3 | -44.6 | 173.6 | -172.1 | 169 | -180 | 179.5 | 0 | 112.1 | T224 D226 R232 Q233 F250 | T224-K229 HydrophobicContact CG2-CD 3.94Å; D226-K229 HydrophobicContact CB-CB 3.86Å; D226-K229 VanDerWaalsContact CG-CB 3.49Å; D226-K229 PolarHBondContact OD1-N 2.75Å; K229-R232 PolarHBondContact O-N 3.03Å; K229-Q233 VanDerWaalsContact CE-NE2 3.28Å; K229-Q233 HydrophobicContact CG-CG 4.25Å; K229-Q233 WeakPolarHBondContact O-CB 3.24Å; K229-Q233 WeakPolarHBondContact O-CG 3.45Å; K229-Q233 PolarHBondContact O-N 3.14Å; K229-F250 HydrophobicContact CD-CD1 4.48Å; K229-F250 HydrophobicContact CD-CE1 3.98Å; K229-F250 HydrophobicContact CD-CZ 4.45Å |
| 230 | V | 96 | Very high | 94.4 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.8 | -49.9 | 175.2 | 169.9 | 0 | 0 | 0 | 0 | 111.6 | F213 A217 L220 Y221 D226 L227 N228 R232 L234 | F213-V230 HydrophobicContact CE1-CG1 4.45Å; A217-V230 HydrophobicContact CB-CG1 3.74Å; L220-V230 HydrophobicContact CB-CG2 4.21Å; L220-V230 HydrophobicContact CD2-CB 4.35Å; L220-V230 HydrophobicContact CD2-CG2 3.93Å; L220-V230 HydrophobicContact CG-CG2 3.88Å; Y221-V230 HydrophobicContact CD2-CG2 4.39Å; D226-V230 VanDerWaalsContact O-CG2 3.24Å; D226-V230 WeakPolarHBondContact O-CG2 3.29Å; D226-V230 PolarHBondContact O-N 3.32Å; L227-V230 PolarHBondContact O-N 3.06Å; N228-V230 VanDerWaalsContact C-N 3.33Å; N228-V230 PolarHBondContact O-N 3.44Å; V230-R232 VanDerWaalsContact C-N 3.28Å; V230-R232 PolarHBondContact O-N 3.17Å; V230-L234 HydrophobicContact CG1-CD1 4.41Å; V230-L234 WeakPolarHBondContact O-CB 3.47Å; V230-L234 PolarHBondContact O-N 3.21Å |
| 231 | C | 96.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.5 | -28.7 | -177.6 | -66.1 | 0 | 0 | 0 | 0 | 113.2 | F213 L227 N228 | F213-C231 HydrophobicContact CZ-CB 4.36Å; L227-C231 WeakPolarHBondContact O-CB 3.29Å; L227-C231 PolarHBondContact O-N 3.41Å; L227-C231 PolarHBondContact O-SG 3.49Å; N228-C231 PolarHBondContact O-N 3.16Å |
| 232 | R | 94.6 | Very high | 93.4 | Very high | 128 Ų | 128 | 53.7 Ų | 53.7 | 48% | 0.483 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -80.9 | -47.2 | 178.5 | -72.7 | 179.2 | 65.2 | 175.6 | 0.6 | 112.5 | T67 N228 K229 V230 | T67-R232 VanDerWaalsContact CG2-NH2 3.3Å; N228-R232 WeakPolarHBondContact O-CB 3.16Å; N228-R232 WeakPolarHBondContact O-CG 3.37Å; N228-R232 PolarHBondContact O-N 3.02Å; N228-R232 WeakPolarHBondContact OD1-CD 3.45Å; K229-R232 PolarHBondContact O-N 3.03Å; V230-R232 VanDerWaalsContact C-N 3.28Å; V230-R232 PolarHBondContact O-N 3.17Å |
| 233 | Q | 94.3 | Very high | 92.7 | Very high | 97 Ų | 97 | 58.4 Ų | 58.4 | 45% | 0.453 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -74.4 | -33.1 | -176.9 | -68.7 | -170.1 | -10.5 | 0 | 0 | 112.7 | L220 K229 | L220-Q233 HydrophobicContact CD2-CB 4.22Å; K229-Q233 VanDerWaalsContact CE-NE2 3.28Å; K229-Q233 HydrophobicContact CG-CG 4.25Å; K229-Q233 WeakPolarHBondContact O-CB 3.24Å; K229-Q233 WeakPolarHBondContact O-CG 3.45Å; K229-Q233 PolarHBondContact O-N 3.14Å |
| 234 | L | 95.7 | Very high | 92.4 | Very high | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.005 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.1 | 35.4 | -178.6 | -59 | 176.9 | 0 | 0 | 0 | 111.7 | F213 H214 D216 A217 L220 V230 L241 | F213-L234 HydrophobicContact CE1-CB 4.16Å; F213-L234 WeakPolarHBondContact CE1-O 3.35Å; F213-L234 WeakPolarHBondContact CZ-O 3.19Å; H214-L234 HydrophobicContact CB-CB 3.96Å; H214-L234 HydrophobicContact CB-CD1 4.13Å; D216-L234 HydrophobicContact CB-CD1 4.03Å; D216-L234 HydrophobicContact CB-CD2 4.26Å; A217-L234 VanDerWaalsContact CA-CD1 3.42Å; A217-L234 HydrophobicContact CB-CD1 3.91Å; L220-L234 HydrophobicContact CB-CD1 4.25Å; L220-L234 HydrophobicContact CD2-CD1 3.78Å; L220-L234 HydrophobicContact CD2-CG 3.93Å; V230-L234 HydrophobicContact CG1-CD1 4.41Å; V230-L234 WeakPolarHBondContact O-CB 3.47Å; V230-L234 PolarHBondContact O-N 3.21Å; L234-L241 HydrophobicContact CD2-CD1 3.77Å; L234-L241 HydrophobicContact CD2-CD2 4.38Å; L234-L241 HydrophobicContact CD2-CG 3.68Å; L234-L241 HydrophobicContact CG-CD1 4.36Å |
| 235 | H | 94.4 | Very high | 92.2 | Very high | 49 Ų | 49 | 60.2 Ų | 60.2 | 23% | 0.227 | 32% | 0.318 | C | S | . | . | trans | -61.1 | -48.7 | 179.3 | 178.9 | 80.9 | 0 | 0 | 0 | 111 | R53 H56 | R53-H235 PolarHBondContact NE-O 3.34Å; R53-H235 PolarHBondContact NH2-O 3.46Å; H56-H235 AromaticContact CD2-CE1 3.74Å; H56-H235 AromaticContact CE1-CE1 3.42Å; H56-H235 PolarHBondContact CE1-CE1 3.33Å; H56-H235 VanDerWaalsContact CE1-CE1 3.42Å; H56-H235 AromaticContact CE1-NE2 3.51Å; H56-H235 AromaticContact CG-CE1 3.51Å; H56-H235 AromaticContact CG-NE2 3.92Å; H56-H235 AromaticContact ND1-CE1 3.32Å; H56-H235 PolarHBondContact ND1-CE1 3.32Å; H56-H235 VanDerWaalsContact ND1-CE1 3.32Å; H56-H235 AromaticContact ND1-NE2 3.29Å; H56-H235 PolarHBondContact ND1-NE2 3.24Å; H56-H235 AromaticContact NE2-CE1 3.67Å | ||
| 236 | D | 92 | Very high | 92.2 | Very high | 74 Ų | 74 | 60.7 Ų | 60.7 | 40% | 0.396 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -76.8 | 118.8 | 174 | -170.7 | -26 | 0 | 0 | 0 | 110 | H214 F238 V239 | H214-D236 PolarHBondContact CD2-O 2.76Å; H214-D236 VanDerWaalsContact CD2-O 3.29Å; H214-D236 PolarHBondContact NE2-O 2.74Å; D236-F238 PolarHBondContact O-N 2.89Å; D236-F238 WeakPolarHBondContact OD1-CD2 3.33Å; D236-F238 PolarHBondContact OD1-N 3.02Å; D236-V239 HydrophobicContact CB-CB 4.2Å; D236-V239 HydrophobicContact CB-CG2 3.99Å; D236-V239 WeakPolarHBondContact OD2-CG2 3.33Å |
| 237 | P | 93.3 | Very high | 92.2 | Very high | 46 Ų | 46 | 59 Ų | 59 | 30% | 0.299 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -12.3 | 179.8 | 26.5 | -31 | 0 | 0 | 0 | 115 | ||
| 238 | F | 92.2 | Very high | 92.2 | Very high | 186 Ų | 186 | 60.3 Ų | 60.3 | 82% | 0.816 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.7 | -5.8 | -175.5 | -55.4 | -71 | 0 | 0 | 0 | 113.3 | D236 | D236-F238 PolarHBondContact O-N 2.89Å; D236-F238 WeakPolarHBondContact OD1-CD2 3.33Å; D236-F238 PolarHBondContact OD1-N 3.02Å |
| 239 | V | 91.2 | Very high | 92.3 | Very high | 84 Ų | 84 | 60.8 Ų | 60.8 | 51% | 0.509 | 32% | 0.323 | S | S | . | . | trans | -105.1 | 102.7 | -179.2 | 179.5 | 0 | 0 | 0 | 0 | 109.8 | H214 D236 | H214-V239 PolarHBondContact NE2-O 3Å; H214-V239 VanDerWaalsContact NE2-O 3.15Å; D236-V239 HydrophobicContact CB-CB 4.2Å; D236-V239 HydrophobicContact CB-CG2 3.99Å; D236-V239 WeakPolarHBondContact OD2-CG2 3.33Å | ||
| 240 | S | 89.3 | Confident | 92.3 | Very high | 72 Ų | 72 | 62 Ų | 62 | 50% | 0.503 | 33% | 0.329 | S | S | . | . | trans | -78.5 | 153.1 | 173.7 | -83.3 | 0 | 0 | 0 | 0 | 113 | D216 | D216-S240 WeakPolarHBondContact OD2-CA 3.38Å; D216-S240 WeakPolarHBondContact OD2-CB 3.38Å; D216-S240 PolarHBondContact OD2-OG 2.66Å | ||
| 241 | L | 89.1 | Confident | 92.3 | Very high | 57 Ų | 57 | 62.5 Ų | 62.5 | 30% | 0.298 | 33% | 0.332 | S | S | . | . | trans | -80.6 | 135.6 | 172.9 | -65.6 | 173.2 | 0 | 0 | 0 | 110.3 | D216 L220 L234 V244 | D216-L241 PolarHBondContact OD2-N 2.8Å; L220-L241 HydrophobicContact CB-CD1 4.48Å; L220-L241 HydrophobicContact CD1-CD1 4.03Å; L220-L241 HydrophobicContact CD2-CD1 3.82Å; L220-L241 HydrophobicContact CG-CD1 4.33Å; L234-L241 HydrophobicContact CD2-CD1 3.77Å; L234-L241 HydrophobicContact CD2-CD2 4.38Å; L234-L241 HydrophobicContact CD2-CG 3.68Å; L234-L241 HydrophobicContact CG-CD1 4.36Å; L241-V244 HydrophobicContact CB-CG2 3.81Å; L241-V244 HydrophobicContact CD1-CG2 3.86Å; L241-V244 HydrophobicContact CG-CG2 4.48Å | ||
| 242 | S | 81.1 | Confident | 92.3 | Very high | 136 Ų | 136 | 62.5 Ų | 62.5 | 95% | 0.951 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -70.6 | -34.6 | 179.4 | 49.8 | 0 | 0 | 0 | 0 | 113.2 | ||
| 243 | E | 81.8 | Confident | 92.4 | Very high | 121 Ų | 121 | 57.1 Ų | 57.1 | 57% | 0.565 | 31% | 0.313 | S | S | * | . | trans | -145.4 | 113.1 | 177.2 | -166.2 | -161.3 | 136.3 | 0 | 0 | 110.5 | S245 K382 | E243-S245 WeakPolarHBondContact OE1-CB 3.35Å; E243-S245 PolarHBondContact OE1-OG 2.89Å; E243-K382 IonicContact OE1-NZ 2.64Å; E243-K382 PolarHBondContact OE1-NZ 2.84Å | ||
| 244 | V | 87.8 | Confident | 92.6 | Very high | 26 Ų | 26 | 52.7 Ų | 52.7 | 16% | 0.158 | 29% | 0.292 | C | S | . | . | trans | -100.1 | 110.9 | 169.7 | -177.4 | 0 | 0 | 0 | 0 | 108.5 | E219 L220 V223 L241 | E219-V244 HydrophobicContact CB-CG1 4.35Å; E219-V244 HydrophobicContact CG-CB 4.13Å; E219-V244 HydrophobicContact CG-CG1 3.81Å; L220-V244 HydrophobicContact CB-CG1 4.31Å; L220-V244 HydrophobicContact CD1-CG1 4.3Å; V223-V244 HydrophobicContact CG1-CG1 4.34Å; V223-V244 HydrophobicContact CG2-CG1 3.54Å; L241-V244 HydrophobicContact CB-CG2 3.81Å; L241-V244 HydrophobicContact CD1-CG2 3.86Å; L241-V244 HydrophobicContact CG-CG2 4.48Å | ||
| 245 | S | 91.8 | Very high | 92.7 | Very high | 33 Ų | 33 | 52.9 Ų | 52.9 | 23% | 0.231 | 29% | 0.293 | C | S | . | . | trans | -144.6 | 163.7 | -177.5 | 56.9 | 0 | 0 | 0 | 0 | 112.8 | E243 G247 K382 | E243-S245 WeakPolarHBondContact OE1-CB 3.35Å; E243-S245 PolarHBondContact OE1-OG 2.89Å; S245-G247 PolarHBondContact O-N 3.06Å; S245-K382 PolarHBondContact OG-NZ 3.43Å | ||
| 246 | I | 95.4 | Very high | 92.8 | Very high | 15 Ų | 15 | 51.7 Ų | 51.7 | 8% | 0.077 | 29% | 0.288 | C | S | . | . | trans | -63.6 | 129.5 | -179.6 | -61.4 | 176.2 | 0 | 0 | 0 | 109.3 | V223 F252 I333 L376 Y444 P446 | V223-I246 HydrophobicContact CB-CG1 4.45Å; V223-I246 HydrophobicContact CG1-CG1 4.21Å; I246-F252 HydrophobicContact CD1-CD1 4.39Å; I246-F252 HydrophobicContact CD1-CD2 4.16Å; I246-F252 HydrophobicContact CD1-CE2 4.45Å; I246-F252 HydrophobicContact CD1-CG 4.15Å; I246-F252 HydrophobicContact CG1-CB 4.44Å; I246-F252 HydrophobicContact CG1-CG 4.34Å; I246-F252 HydrophobicContact CG2-CD1 3.61Å; I246-F252 HydrophobicContact CG2-CE1 4.01Å; I246-F252 HydrophobicContact CG2-CG 4.24Å; I246-I333 HydrophobicContact CG2-CD1 3.89Å; I246-L376 HydrophobicContact CD1-CB 4.38Å; I246-L376 HydrophobicContact CD1-CD1 3.52Å; I246-L376 HydrophobicContact CD1-CD2 4.35Å; I246-L376 HydrophobicContact CD1-CG 4.29Å; I246-Y444 HydrophobicContact CD1-CD1 4.05Å; I246-Y444 HydrophobicContact CD1-CE1 4.24Å; I246-P446 HydrophobicContact CD1-CG 4.15Å; I246-P446 HydrophobicContact CG1-CG 4.36Å | ||
| 247 | G | 93.9 | Very high | 93 | Very high | 21 Ų | 21 | 48.7 Ų | 48.7 | 22% | 0.216 | 27% | 0.274 | C | S | . | . | trans | -114.9 | 152.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113 | S245 F250 | S245-G247 PolarHBondContact O-N 3.06Å; G247-F250 PolarHBondContact O-N 3.29Å | ||
| 248 | L | 96.7 | Very high | 93.2 | Very high | 33 Ų | 33 | 47.5 Ų | 47.5 | 17% | 0.173 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | 141.5 | 175.3 | -168.2 | 61.3 | 0 | 0 | 0 | 111.1 | F250 H288 D290 K331 I333 | L248-F250 WeakPolarHBondContact O-CD2 3.35Å; L248-F250 PolarHBondContact O-N 3.4Å; L248-H288 HydrophobicContact CD1-CB 4.09Å; L248-D290 HydrophobicContact CD2-CB 3.91Å; L248-K331 HydrophobicContact CD2-CB 4.05Å; L248-K331 HydrophobicContact CD2-CD 4.04Å; L248-K331 HydrophobicContact CD2-CG 3.95Å; L248-I333 HydrophobicContact CD1-CD1 4.31Å; L248-I333 HydrophobicContact CD1-CG1 3.87Å |
| 249 | F | 96.4 | Very high | 93.3 | Very high | 50 Ų | 50 | 42 Ų | 42 | 22% | 0.219 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | 12.1 | -174.7 | -56 | -46 | 0 | 0 | 0 | 118.2 | H288 D290 V293 K295 | F249-H288 HydrophobicContact CD1-CB 3.61Å; F249-H288 HydrophobicContact CE1-CB 3.85Å; F249-H288 PolarHBondContact N-ND1 3.26Å; F249-D290 HydrophobicContact CE2-CB 3.6Å; F249-D290 HydrophobicContact CZ-CB 3.43Å; F249-D290 VanDerWaalsContact CZ-CB 3.43Å; F249-V293 HydrophobicContact CE1-CG1 4.26Å; F249-V293 HydrophobicContact CE2-CG1 4.3Å; F249-V293 HydrophobicContact CZ-CB 4.06Å; F249-V293 HydrophobicContact CZ-CG1 3.75Å; F249-K295 HydrophobicContact CB-CD 4.06Å; F249-K295 HydrophobicContact CD1-CB 3.92Å; F249-K295 HydrophobicContact CD1-CD 3.76Å; F249-K295 HydrophobicContact CD1-CG 3.66Å; F249-K295 HydrophobicContact CE1-CB 4.33Å; F249-K295 HydrophobicContact CE1-CG 4.03Å; F249-K295 HydrophobicContact CG-CD 4.14Å; F249-K295 HydrophobicContact CG-CG 4.48Å |
| 250 | F | 95 | Very high | 93.4 | Very high | 74 Ų | 74 | 38.7 Ų | 38.7 | 33% | 0.325 | 23% | 0.231 | S | C | . | . | trans | -102 | 131.1 | 168.1 | -67 | -78 | 0 | 0 | 0 | 110.5 | K229 G247 L248 F252 H288 | K229-F250 HydrophobicContact CD-CD1 4.48Å; K229-F250 HydrophobicContact CD-CE1 3.98Å; K229-F250 HydrophobicContact CD-CZ 4.45Å; G247-F250 PolarHBondContact O-N 3.29Å; L248-F250 WeakPolarHBondContact O-CD2 3.35Å; L248-F250 PolarHBondContact O-N 3.4Å; F250-F252 PolarHBondContact O-N 3.44Å; F250-H288 PolarHBondContact O-CE1 3.27Å | ||
| 251 | A | 96.2 | Very high | 93.4 | Very high | 9 Ų | 9 | 38.5 Ų | 38.5 | 7% | 0.074 | 22% | 0.224 | C | C | . | . | trans | -71.9 | 129.9 | 177 | 0 | 0 | 0 | 0 | 0 | 110.2 | T224 T225 F297 | T224-A251 CarbonylContact C-O 3.42Å; T224-A251 WeakPolarHBondContact CA-O 3.49Å; T224-A251 VanDerWaalsContact O-O 3.06Å; T225-A251 WeakPolarHBondContact CB-O 3.38Å; T225-A251 PolarHBondContact N-O 3.41Å; T225-A251 VanDerWaalsContact N-O 3.16Å; T225-A251 PolarHBondContact OG1-O 3.08Å; A251-F297 HydrophobicContact CB-CB 4.02Å; A251-F297 HydrophobicContact CB-CD1 3.69Å; A251-F297 HydrophobicContact CB-CD2 4.14Å; A251-F297 HydrophobicContact CB-CE1 4.12Å; A251-F297 HydrophobicContact CB-CG 3.69Å; A251-F297 HydrophobicContact CB-CZ 4.5Å | ||
| 252 | F | 96.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -110.9 | 165.9 | 175.2 | 60.1 | -89.9 | 0 | 0 | 0 | 109.5 | N222 I246 F250 P254 Q286 H288 I333 L376 Y444 | N222-F252 CarbonylContact O-C 3.59Å; N222-F252 VanDerWaalsContact O-CA 3.28Å; N222-F252 WeakPolarHBondContact O-CA 3.08Å; N222-F252 WeakPolarHBondContact O-CB 3.47Å; I246-F252 HydrophobicContact CD1-CD1 4.39Å; I246-F252 HydrophobicContact CD1-CD2 4.16Å; I246-F252 HydrophobicContact CD1-CE2 4.45Å; I246-F252 HydrophobicContact CD1-CG 4.15Å; I246-F252 HydrophobicContact CG1-CB 4.44Å; I246-F252 HydrophobicContact CG1-CG 4.34Å; I246-F252 HydrophobicContact CG2-CD1 3.61Å; I246-F252 HydrophobicContact CG2-CE1 4.01Å; I246-F252 HydrophobicContact CG2-CG 4.24Å; F250-F252 PolarHBondContact O-N 3.44Å; F252-P254 WeakPolarHBondContact O-CD 3.44Å; F252-Q286 VanDerWaalsContact CD1-NE2 3.34Å; F252-Q286 HydrophobicContact CE1-CB 4Å; F252-Q286 HydrophobicContact CE1-CG 4.38Å; F252-Q286 VanDerWaalsContact CE1-NE2 3.35Å; F252-Q286 HydrophobicContact CZ-CB 3.86Å; F252-Q286 PolarHBondContact O-OE1 3.34Å; F252-H288 AromaticContact CE1-NE2 3.74Å; F252-I333 HydrophobicContact CE1-CG2 3.75Å; F252-I333 HydrophobicContact CZ-CG2 4.31Å; F252-L376 HydrophobicContact CD2-CD1 4.39Å; F252-L376 HydrophobicContact CE1-CD1 3.82Å; F252-L376 HydrophobicContact CE2-CD1 3.52Å; F252-L376 HydrophobicContact CZ-CD1 3.19Å; F252-Y444 HydrophobicContact CD2-CE1 4.23Å; F252-Y444 AromaticContact CE2-CE1 3.96Å; F252-Y444 HydrophobicContact CE2-CE1 3.96Å; F252-Y444 AromaticContact CE2-CZ 3.96Å; F252-Y444 WeakPolarHBondContact CE2-OH 3.34Å | ||
| 253 | K | 96.6 | Very high | 93.4 | Very high | 16 Ų | 16 | 37.7 Ų | 37.7 | 7% | 0.07 | 20% | 0.197 | C | C | . | . | trans | -84.1 | 115.5 | 172.3 | -66.7 | -65.7 | 177.3 | -152.7 | 0 | 108.3 | N222 S301 P446 D447 | N222-K253 HydrophobicContact CB-CG 4.44Å; N222-K253 PolarHBondContact O-N 2.89Å; K253-S301 PolarHBondContact NZ-OG 2.75Å; K253-P446 CarbonylContact O-C 3.59Å; K253-P446 WeakPolarHBondContact O-CA 3.07Å; K253-P446 VanDerWaalsContact O-CB 3.29Å; K253-P446 WeakPolarHBondContact O-CB 3.36Å; K253-D447 HydrophobicContact CB-CB 3.55Å; K253-D447 HydrophobicContact CG-CB 4.1Å; K253-D447 PolarHBondContact O-N 3.41Å | ||
| 254 | P | 97.3 | Very high | 93.8 | Very high | 4 Ų | 4 | 36.7 Ų | 36.7 | 3% | 0.026 | 19% | 0.193 | C | C | . | . | trans | -60.9 | 148.4 | -178.5 | -23.9 | 34.6 | 0 | 0 | 0 | 112.1 | F252 R284 Y444 D447 | F252-P254 WeakPolarHBondContact O-CD 3.44Å; P254-R284 HydrophobicContact CB-CG 4.35Å; P254-R284 HydrophobicContact CG-CG 4.23Å; P254-Y444 VanDerWaalsContact CA-OH 3.29Å; P254-Y444 WeakPolarHBondContact CA-OH 3.17Å; P254-D447 PolarHBondContact O-N 3.19Å | ||
| 255 | M | 97.7 | Very high | 94 | Very high | 4 Ų | 4 | 35.5 Ų | 35.5 | 2% | 0.02 | 19% | 0.185 | C | C | . | . | trans | -61.7 | 143.3 | 171.2 | -174.2 | 171.9 | -178.9 | 0 | 0 | 110.6 | Y444 K445 E451 W453 | M255-Y444 HydrophobicContact CB-CD1 4.32Å; M255-Y444 HydrophobicContact CB-CD2 4.25Å; M255-Y444 HydrophobicContact CB-CE1 3.87Å; M255-Y444 HydrophobicContact CB-CE2 3.85Å; M255-Y444 HydrophobicContact CB-CG 4.49Å; M255-Y444 PolarHBondContact N-OH 3Å; M255-Y444 HydrophobicContact SD-CD2 4.34Å; M255-Y444 HydrophobicContact SD-CG 4.44Å; M255-K445 WeakPolarHBondContact CG-O 3.5Å; M255-K445 PolarHBondContact SD-N 3.23Å; M255-K445 VanDerWaalsContact SD-N 3.42Å; M255-E451 HydrophobicContact CE-CB 4.11Å; M255-E451 WeakPolarHBondContact CE-O 3.38Å; M255-W453 HydrophobicContact CB-CE3 4.47Å; M255-W453 HydrophobicContact CB-CZ3 4.33Å; M255-W453 HydrophobicContact CE-CB 4.45Å; M255-W453 HydrophobicContact CE-CD2 4.36Å; M255-W453 HydrophobicContact CE-CG 3.97Å; M255-W453 HydrophobicContact CG-CD2 4.25Å; M255-W453 HydrophobicContact CG-CE3 4.26Å; M255-W453 HydrophobicContact SD-CD2 4.09Å; M255-W453 HydrophobicContact SD-CG 4.32Å; M255-W453 HydrophobicContact SD-CZ2 4.32Å | ||
| 256 | L | 97.4 | Very high | 94.1 | Very high | 25 Ų | 25 | 37.5 Ų | 37.5 | 13% | 0.131 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 147.3 | -172 | -55 | 175.1 | 0 | 0 | 0 | 111.6 | K448 R449 G450 | L256-K448 WeakPolarHBondContact CA-O 3.44Å; L256-K448 WeakPolarHBondContact CB-O 3.43Å; L256-K448 PolarHBondContact N-O 3.09Å; L256-R449 HydrophobicContact CB-CB 4.2Å; L256-R449 HydrophobicContact CB-CG 4.43Å; L256-R449 WeakPolarHBondContact O-CA 3.43Å; L256-G450 PolarHBondContact O-N 2.92Å |
| 257 | A | 96.9 | Very high | 94.1 | Very high | 10 Ų | 10 | 44 Ų | 44 | 8% | 0.083 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 139.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | M436 R449 W453 K455 | A257-M436 HydrophobicContact CB-CE 3.55Å; A257-M436 HydrophobicContact CB-SD 4.44Å; A257-R449 WeakPolarHBondContact O-CG 2.8Å; A257-R449 PolarHBondContact O-NH1 3.46Å; A257-W453 CarbonylContact C-O 3.52Å; A257-W453 VanDerWaalsContact CA-O 3.22Å; A257-W453 WeakPolarHBondContact CA-O 3.34Å; A257-W453 HydrophobicContact CB-CB 4.18Å; A257-K455 HydrophobicContact CB-CB 3.98Å; A257-K455 HydrophobicContact CB-CD 4.38Å; A257-K455 HydrophobicContact CB-CG 4.1Å |
| 258 | A | 96.4 | Very high | 94 | Very high | 22 Ų | 22 | 47 Ų | 47 | 18% | 0.182 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 156.6 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | A260 R449 G450 W453 L454 K455 | A258-A260 PolarHBondContact O-N 3.46Å; A258-R449 HydrophobicContact CB-CG 4.05Å; A258-G450 VanDerWaalsContact CB-CA 3.4Å; A258-W453 PolarHBondContact N-O 2.97Å; A258-L454 HydrophobicContact CB-CD2 3.89Å; A258-L454 CarbonylContact O-C 3.54Å; A258-L454 VanDerWaalsContact O-CA 3.29Å; A258-L454 WeakPolarHBondContact O-CA 3.46Å; A258-K455 WeakPolarHBondContact O-CG 3.43Å; A258-K455 PolarHBondContact O-N 3.38Å |
| 259 | V | 94.8 | Very high | 93.8 | Very high | 71 Ų | 71 | 45.7 Ų | 45.7 | 43% | 0.43 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 126 | 170.6 | 177.3 | 0 | 0 | 0 | 0 | 107.6 | Y460 | V259-Y460 HydrophobicContact CB-CD2 4.45Å; V259-Y460 HydrophobicContact CB-CE2 4.48Å; V259-Y460 HydrophobicContact CG1-CD2 3.54Å; V259-Y460 HydrophobicContact CG1-CE2 4.02Å; V259-Y460 HydrophobicContact CG1-CG 3.85Å; V259-Y460 HydrophobicContact CG2-CD2 4.19Å; V259-Y460 HydrophobicContact CG2-CE2 3.78Å |
| 260 | A | 92.5 | Very high | 93.6 | Very high | 14 Ų | 14 | 45.8 Ų | 45.8 | 12% | 0.116 | 24% | 0.235 | C | C | . | . | P | Polyproline II helix | trans | -73.3 | 148.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111 | A258 L454 K455 I456 | A258-A260 PolarHBondContact O-N 3.46Å; A260-L454 HydrophobicContact CB-CB 3.86Å; A260-L454 HydrophobicContact CB-CD1 3.79Å; A260-L454 HydrophobicContact CB-CG 4.34Å; A260-K455 PolarHBondContact N-O 2.93Å; A260-I456 HydrophobicContact CB-CD1 3.83Å; A260-I456 HydrophobicContact CB-CG1 3.47Å; A260-I456 VanDerWaalsContact CB-CG1 3.47Å |
| 261 | N | 89.2 | Confident | 93.4 | Very high | 68 Ų | 68 | 48.1 Ų | 48.1 | 36% | 0.364 | 25% | 0.251 | S | S | . | . | trans | -90 | 104.6 | 158.5 | -179.7 | -13.2 | 0 | 0 | 0 | 107.1 | R263 Q264 V265 Q268 | N261-R263 PolarHBondContact O-N 2.85Å; N261-R263 VanDerWaalsContact O-N 3.16Å; N261-R263 PolarHBondContact OD1-N 2.73Å; N261-Q264 HydrophobicContact CB-CB 4.25Å; N261-Q264 PolarHBondContact ND2-OE1 2.71Å; N261-Q264 CarbonylContact O-C 3.47Å; N261-Q264 WeakPolarHBondContact O-CA 3.3Å; N261-Q264 PolarHBondContact O-N 3.13Å; N261-V265 PolarHBondContact O-N 3.34Å; N261-Q268 PolarHBondContact O-OE1 2.84Å | ||
| 262 | M | 85.7 | Confident | 93.3 | Very high | 21 Ų | 21 | 51.1 Ų | 51.1 | 10% | 0.103 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -56.4 | -36.6 | -172.7 | -164.7 | 172.8 | -165.6 | 0 | 0 | 113.2 | Q264 V265 M417 V420 V421 L424 V461 L621 | M262-Q264 PolarHBondContact O-N 2.82Å; M262-V265 WeakPolarHBondContact O-CG1 3.36Å; M262-V265 PolarHBondContact O-N 2.82Å; M262-M417 HydrophobicContact CG-CE 4.34Å; M262-V420 HydrophobicContact CE-CG1 4Å; M262-V421 HydrophobicContact CE-CB 4.14Å; M262-V421 HydrophobicContact CE-CG2 3.42Å; M262-V421 VanDerWaalsContact CE-CG2 3.42Å; M262-L424 HydrophobicContact CE-CD2 3.93Å; M262-L424 HydrophobicContact SD-CD2 4.29Å; M262-V461 HydrophobicContact SD-CG2 4.32Å; M262-L621 HydrophobicContact CE-CD2 3.55Å; M262-L621 HydrophobicContact SD-CD2 3.37Å; M262-L621 WeakPolarHBondContact SD-CD2 3.49Å |
| 263 | R | 85.6 | Confident | 93.3 | Very high | 155 Ų | 155 | 53.2 Ų | 53.2 | 59% | 0.585 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | -70 | -16.2 | 178.2 | -64.2 | -174.3 | -176.9 | -126.6 | -2.8 | 113.6 | N261 E626 | N261-R263 PolarHBondContact O-N 2.85Å; N261-R263 VanDerWaalsContact O-N 3.16Å; N261-R263 PolarHBondContact OD1-N 2.73Å; R263-E626 IonicContact NH1-OE1 3.65Å |
| 264 | Q | 90.4 | Very high | 93.3 | Very high | 100 Ų | 100 | 52.5 Ų | 52.5 | 47% | 0.467 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -119.9 | 13.4 | -178.5 | -63.6 | -178.9 | -15.6 | 0 | 0 | 111.5 | N261 M262 E266 K267 Q268 | N261-Q264 HydrophobicContact CB-CB 4.25Å; N261-Q264 PolarHBondContact ND2-OE1 2.71Å; N261-Q264 CarbonylContact O-C 3.47Å; N261-Q264 WeakPolarHBondContact O-CA 3.3Å; N261-Q264 PolarHBondContact O-N 3.13Å; M262-Q264 PolarHBondContact O-N 2.82Å; Q264-E266 VanDerWaalsContact C-N 3.27Å; Q264-E266 PolarHBondContact O-N 3.39Å; Q264-K267 PolarHBondContact O-N 3.32Å; Q264-K267 VanDerWaalsContact O-N 3.07Å; Q264-Q268 HydrophobicContact CB-CG 4.46Å; Q264-Q268 WeakPolarHBondContact O-CG 3.09Å; Q264-Q268 PolarHBondContact O-N 3.38Å |
| 265 | V | 92.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.6 | -39.9 | -172.8 | 69 | 0 | 0 | 0 | 0 | 111.9 | N261 M262 Q268 M269 M417 V420 V437 I456 | N261-V265 PolarHBondContact O-N 3.34Å; M262-V265 WeakPolarHBondContact O-CG1 3.36Å; M262-V265 PolarHBondContact O-N 2.82Å; V265-Q268 PolarHBondContact O-N 3.47Å; V265-M269 WeakPolarHBondContact O-CB 3.25Å; V265-M269 WeakPolarHBondContact O-CG 3.28Å; V265-M269 PolarHBondContact O-N 3.36Å; V265-M417 HydrophobicContact CG1-CB 4.34Å; V265-V420 HydrophobicContact CG1-CG2 4.13Å; V265-V420 HydrophobicContact CG2-CG2 4.44Å; V265-V437 HydrophobicContact CG2-CG1 4.12Å; V265-V437 HydrophobicContact CG2-CG2 4.49Å; V265-I456 HydrophobicContact CG2-CD1 4.41Å |
| 266 | E | 93.8 | Very high | 93.4 | Very high | 76 Ų | 76 | 52.7 Ų | 52.7 | 36% | 0.355 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60 | -49 | 175.9 | -60.4 | 175.9 | -172.3 | 0 | 0 | 111 | Q264 Q268 M269 G270 N271 T416 M417 | Q264-E266 VanDerWaalsContact C-N 3.27Å; Q264-E266 PolarHBondContact O-N 3.39Å; E266-Q268 PolarHBondContact O-N 2.9Å; E266-M269 CarbonylContact O-C 2.99Å; E266-M269 PolarHBondContact O-N 3.21Å; E266-M269 VanDerWaalsContact O-N 3.12Å; E266-G270 PolarHBondContact O-N 2.83Å; E266-N271 WeakPolarHBondContact O-CA 3.35Å; E266-N271 PolarHBondContact O-N 2.92Å; E266-N271 PolarHBondContact O-OD1 2.81Å; E266-T416 WeakPolarHBondContact OE1-CA 3.48Å; E266-M417 PolarHBondContact OE1-N 3.03Å |
| 267 | K | 93.7 | Very high | 93.4 | Very high | 150 Ų | 150 | 51.9 Ų | 51.9 | 65% | 0.652 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -63.2 | -40.5 | 176.2 | -175.5 | -179.8 | 179.8 | 179.2 | 0 | 112.1 | Q264 M269 G270 N271 | Q264-K267 PolarHBondContact O-N 3.32Å; Q264-K267 VanDerWaalsContact O-N 3.07Å; K267-M269 PolarHBondContact O-N 3.31Å; K267-G270 PolarHBondContact O-N 2.57Å; K267-N271 WeakPolarHBondContact CA-OD1 3.41Å; K267-N271 PolarHBondContact N-OD1 3.17Å |
| 268 | Q | 91.9 | Very high | 93.3 | Very high | 84 Ų | 84 | 53.4 Ų | 53.4 | 39% | 0.393 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -65.8 | -24.6 | 177.1 | -68.1 | -174 | -62.6 | 0 | 0 | 112.2 | N261 Q264 V265 E266 G270 L454 | N261-Q268 PolarHBondContact O-OE1 2.84Å; Q264-Q268 HydrophobicContact CB-CG 4.46Å; Q264-Q268 WeakPolarHBondContact O-CG 3.09Å; Q264-Q268 PolarHBondContact O-N 3.38Å; V265-Q268 PolarHBondContact O-N 3.47Å; E266-Q268 PolarHBondContact O-N 2.9Å; Q268-G270 VanDerWaalsContact C-N 3.33Å; Q268-L454 HydrophobicContact CB-CD1 3.83Å |
| 269 | M | 94 | Very high | 93.3 | Very high | 7 Ų | 7 | 54 Ų | 54 | 3% | 0.034 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 18.9 | 173.2 | -66.4 | -67.3 | 137.3 | 0 | 0 | 112.6 | V265 E266 K267 N271 S272 F274 V437 D439 L454 | V265-M269 WeakPolarHBondContact O-CB 3.25Å; V265-M269 WeakPolarHBondContact O-CG 3.28Å; V265-M269 PolarHBondContact O-N 3.36Å; E266-M269 CarbonylContact O-C 2.99Å; E266-M269 PolarHBondContact O-N 3.21Å; E266-M269 VanDerWaalsContact O-N 3.12Å; K267-M269 PolarHBondContact O-N 3.31Å; M269-N271 VanDerWaalsContact C-N 3.26Å; M269-N271 PolarHBondContact O-N 3.37Å; M269-S272 PolarHBondContact O-N 2.81Å; M269-F274 HydrophobicContact CB-CB 4.09Å; M269-F274 HydrophobicContact CB-CD1 3.51Å; M269-F274 HydrophobicContact CB-CE1 4.29Å; M269-F274 HydrophobicContact CB-CG 4.09Å; M269-F274 HydrophobicContact CG-CB 3.79Å; M269-F274 HydrophobicContact CG-CD1 3.6Å; M269-F274 HydrophobicContact CG-CE1 4.35Å; M269-F274 HydrophobicContact CG-CG 3.76Å; M269-F274 HydrophobicContact SD-CB 3.76Å; M269-F274 HydrophobicContact SD-CG 4.35Å; M269-V437 HydrophobicContact CE-CB 4.39Å; M269-V437 HydrophobicContact CE-CG1 3.83Å; M269-V437 HydrophobicContact CG-CG1 3.94Å; M269-V437 HydrophobicContact SD-CG1 3.92Å; M269-D439 HydrophobicContact SD-CB 4.08Å; M269-L454 HydrophobicContact CE-CB 4.14Å; M269-L454 HydrophobicContact CE-CD1 3.26Å; M269-L454 HydrophobicContact CE-CG 3.42Å; M269-L454 VanDerWaalsContact CE-CG 3.42Å |
| 270 | G | 91.4 | Very high | 93.2 | Very high | 51 Ų | 51 | 52.1 Ų | 52.1 | 53% | 0.526 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.4 | 26.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | E266 K267 Q268 S272 | E266-G270 PolarHBondContact O-N 2.83Å; K267-G270 PolarHBondContact O-N 2.57Å; Q268-G270 VanDerWaalsContact C-N 3.33Å; G270-S272 PolarHBondContact O-N 2.79Å; G270-S272 VanDerWaalsContact O-N 3.1Å; G270-S272 PolarHBondContact O-OG 3Å |
| 271 | N | 91.3 | Very high | 93 | Very high | 124 Ų | 124 | 52.3 Ų | 52.3 | 66% | 0.663 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 32 | -175.1 | -57.2 | -42.1 | 0 | 0 | 0 | 113.1 | E266 K267 M269 | E266-N271 WeakPolarHBondContact O-CA 3.35Å; E266-N271 PolarHBondContact O-N 2.92Å; E266-N271 PolarHBondContact O-OD1 2.81Å; K267-N271 WeakPolarHBondContact CA-OD1 3.41Å; K267-N271 PolarHBondContact N-OD1 3.17Å; M269-N271 VanDerWaalsContact C-N 3.26Å; M269-N271 PolarHBondContact O-N 3.37Å |
| 272 | S | 93.9 | Very high | 93.1 | Very high | 71 Ų | 71 | 49.4 Ų | 49.4 | 50% | 0.497 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -118.7 | 173.2 | -178 | -66.1 | 0 | 0 | 0 | 0 | 110.4 | M269 G270 F274 | M269-S272 PolarHBondContact O-N 2.81Å; G270-S272 PolarHBondContact O-N 2.79Å; G270-S272 VanDerWaalsContact O-N 3.1Å; G270-S272 PolarHBondContact O-OG 3Å; S272-F274 WeakPolarHBondContact O-CD1 3.49Å |
| 273 | T | 96 | Very high | 93.3 | Very high | 45 Ų | 45 | 49.8 Ų | 49.8 | 28% | 0.276 | 26% | 0.258 | S | S | . | . | trans | -62.5 | 137.9 | 174.5 | -38.6 | 0 | 0 | 0 | 0 | 110.3 | E413 A414 K415 P440 | T273-E413 HydrophobicContact CG2-CB 4Å; T273-E413 HydrophobicContact CG2-CG 4.26Å; T273-A414 WeakPolarHBondContact CA-O 3.5Å; T273-A414 WeakPolarHBondContact CG2-O 3.45Å; T273-K415 HydrophobicContact CG2-CG 4.01Å; T273-K415 WeakPolarHBondContact OG1-CE 3.49Å; T273-P440 WeakPolarHBondContact O-CD 3.11Å; T273-P440 WeakPolarHBondContact O-CG 3.45Å | ||
| 274 | F | 97.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 160.4 | 176 | 50.6 | -98 | 0 | 0 | 0 | 112.1 | M269 S272 I276 A414 V420 V437 K438 | M269-F274 HydrophobicContact CB-CB 4.09Å; M269-F274 HydrophobicContact CB-CD1 3.51Å; M269-F274 HydrophobicContact CB-CE1 4.29Å; M269-F274 HydrophobicContact CB-CG 4.09Å; M269-F274 HydrophobicContact CG-CB 3.79Å; M269-F274 HydrophobicContact CG-CD1 3.6Å; M269-F274 HydrophobicContact CG-CE1 4.35Å; M269-F274 HydrophobicContact CG-CG 3.76Å; M269-F274 HydrophobicContact SD-CB 3.76Å; M269-F274 HydrophobicContact SD-CG 4.35Å; S272-F274 WeakPolarHBondContact O-CD1 3.49Å; F274-I276 HydrophobicContact CD2-CG1 4.09Å; F274-I276 HydrophobicContact CE2-CD1 4.11Å; F274-I276 HydrophobicContact CE2-CG1 4.02Å; F274-A414 HydrophobicContact CD2-CB 4.04Å; F274-A414 HydrophobicContact CE2-CB 3.55Å; F274-A414 HydrophobicContact CZ-CB 4.14Å; F274-A414 PolarHBondContact N-O 3.1Å; F274-A414 PolarHBondContact O-N 3.11Å; F274-V420 HydrophobicContact CE2-CG2 3.52Å; F274-V420 HydrophobicContact CZ-CG2 3.68Å; F274-V437 HydrophobicContact CB-CG1 4.2Å; F274-V437 HydrophobicContact CD2-CG1 3.51Å; F274-V437 HydrophobicContact CE2-CG1 4.03Å; F274-V437 HydrophobicContact CG-CG1 3.92Å; F274-K438 WeakPolarHBondContact CB-O 3.31Å |
| 275 | F | 98.2 | Very high | 94.2 | Very high | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.009 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 135.6 | 174 | -60.7 | -39.8 | 0 | 0 | 0 | 110.5 | L388 K389 K411 T412 E413 V437 K438 P440 | F275-L388 HydrophobicContact CD2-CD2 3.84Å; F275-L388 HydrophobicContact CD2-CG 4.18Å; F275-L388 HydrophobicContact CE2-CD2 4.35Å; F275-L388 HydrophobicContact CE2-CG 4.24Å; F275-K389 HydrophobicContact CZ-CB 4.41Å; F275-K389 HydrophobicContact CZ-CG 4.45Å; F275-K411 HydrophobicContact CB-CB 4.45Å; F275-K411 HydrophobicContact CD1-CD 3.83Å; F275-K411 HydrophobicContact CD2-CD 4.04Å; F275-K411 HydrophobicContact CE1-CD 3.93Å; F275-K411 HydrophobicContact CE2-CD 4.14Å; F275-K411 HydrophobicContact CG-CD 3.91Å; F275-K411 HydrophobicContact CZ-CD 4.1Å; F275-K411 VanDerWaalsContact CZ-NZ 3.26Å; F275-T412 CarbonylContact C-O 3.58Å; F275-T412 WeakPolarHBondContact CA-O 3.49Å; F275-E413 HydrophobicContact CD1-CG 3.71Å; F275-E413 HydrophobicContact CE1-CG 3.54Å; F275-V437 CarbonylContact O-C 3.56Å; F275-V437 WeakPolarHBondContact O-CA 3.36Å; F275-K438 PolarHBondContact N-O 3.17Å; F275-K438 PolarHBondContact O-N 2.94Å; F275-P440 HydrophobicContact CD1-CG 4.19Å; F275-P440 HydrophobicContact CD2-CB 4.17Å; F275-P440 HydrophobicContact CD2-CG 3.93Å; F275-P440 HydrophobicContact CE1-CB 4.39Å; F275-P440 HydrophobicContact CE1-CG 4.03Å; F275-P440 HydrophobicContact CE2-CB 3.58Å; F275-P440 HydrophobicContact CE2-CG 3.77Å; F275-P440 HydrophobicContact CG-CG 4.13Å; F275-P440 HydrophobicContact CZ-CB 3.69Å; F275-P440 HydrophobicContact CZ-CG 3.8Å |
| 276 | I | 98.3 | Very high | 94.5 | Very high | 11 Ų | 11 | 39.7 Ų | 39.7 | 6% | 0.056 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 130.2 | 167 | -55.8 | 179.4 | 0 | 0 | 0 | 108.1 | F274 K411 T412 A414 V420 A423 I435 M436 | F274-I276 HydrophobicContact CD2-CG1 4.09Å; F274-I276 HydrophobicContact CE2-CD1 4.11Å; F274-I276 HydrophobicContact CE2-CG1 4.02Å; I276-K411 WeakPolarHBondContact O-CA 3.46Å; I276-T412 PolarHBondContact N-O 3.04Å; I276-T412 PolarHBondContact O-N 2.99Å; I276-A414 HydrophobicContact CD1-CB 3.5Å; I276-A414 HydrophobicContact CG1-CB 3.93Å; I276-V420 HydrophobicContact CD1-CG2 3.96Å; I276-A423 HydrophobicContact CD1-CB 4.1Å; I276-A423 HydrophobicContact CG2-CB 3.82Å; I276-I435 HydrophobicContact CG2-CB 4.18Å; I276-I435 HydrophobicContact CG2-CD1 4.3Å; I276-I435 HydrophobicContact CG2-CG2 4.37Å; I276-M436 WeakPolarHBondContact CA-O 3.5Å |
| 277 | E | 97.6 | Very high | 94.7 | Very high | 7 Ų | 7 | 36 Ų | 36 | 3% | 0.033 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 151.3 | 174 | -64.7 | 169.6 | -149.6 | 0 | 0 | 109.6 | K279 V409 K411 I435 M436 K438 | E277-K279 PolarHBondContact O-N 3.12Å; E277-V409 HydrophobicContact CB-CG1 4.07Å; E277-V409 HydrophobicContact CG-CG1 4.37Å; E277-K411 HydrophobicContact CG-CB 3.93Å; E277-I435 CarbonylContact O-C 3.57Å; E277-I435 WeakPolarHBondContact O-CA 3.18Å; E277-M436 HydrophobicContact CB-CB 4.3Å; E277-M436 PolarHBondContact N-O 3.08Å; E277-M436 PolarHBondContact O-N 3.43Å; E277-K438 WeakPolarHBondContact OE1-CD 3.26Å; E277-K438 WeakPolarHBondContact OE1-CE 3.4Å; E277-K438 IonicContact OE1-NZ 3.81Å; E277-K438 PolarHBondContact OE1-NZ 3.48Å; E277-K438 WeakPolarHBondContact OE2-CE 3.46Å; E277-K438 IonicContact OE2-NZ 3.8Å; E277-K438 PolarHBondContact OE2-NZ 3.23Å |
| 278 | T | 95.6 | Very high | 94.9 | Very high | 42 Ų | 42 | 28.9 Ų | 28.9 | 26% | 0.258 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 134 | 169.8 | -69.3 | 0 | 0 | 0 | 0 | 110.7 | L280 E432 | T278-L280 HydrophobicContact CG2-CD2 3.91Å; T278-L280 HydrophobicContact CG2-CG 4.43Å; T278-L280 PolarHBondContact O-N 3.37Å; T278-E432 HydrophobicContact CG2-CB 4.26Å; T278-E432 HydrophobicContact CG2-CG 4.09Å; T278-E432 WeakPolarHBondContact CG2-OE1 3.32Å; T278-E432 WeakPolarHBondContact CG2-OE2 3.47Å; T278-E432 PolarHBondContact OG1-OE1 2.95Å; T278-E432 PolarHBondContact OG1-OE2 3.43Å; T278-E432 VanDerWaalsContact OG1-OE2 3.05Å |
| 279 | K | 96.1 | Very high | 95.2 | Very high | 35 Ų | 35 | 25.4 Ų | 25.4 | 15% | 0.152 | 15% | 0.151 | C | C | . | . | trans | -83.5 | 101.1 | 169 | -168.3 | -174.6 | -176.1 | -57.2 | 0 | 109.8 | E277 E433 G434 M436 K455 | E277-K279 PolarHBondContact O-N 3.12Å; K279-E433 HydrophobicContact CB-CB 4.46Å; K279-E433 HydrophobicContact CD-CB 4.4Å; K279-E433 HydrophobicContact CD-CG 4.45Å; K279-E433 WeakPolarHBondContact CE-OE1 3.32Å; K279-E433 HydrophobicContact CG-CB 4.41Å; K279-E433 IonicContact NZ-OE1 3.89Å; K279-E433 PolarHBondContact NZ-OE1 2.98Å; K279-E433 IonicContact NZ-OE2 3.18Å; K279-E433 PolarHBondContact NZ-OE2 3.06Å; K279-E433 VanDerWaalsContact O-CB 3.27Å; K279-E433 WeakPolarHBondContact O-CB 3.34Å; K279-G434 VanDerWaalsContact CB-C 3.49Å; K279-G434 WeakPolarHBondContact CB-O 3.49Å; K279-G434 PolarHBondContact N-O 2.82Å; K279-M436 HydrophobicContact CB-CG 3.95Å; K279-M436 HydrophobicContact CB-SD 4.21Å; K279-M436 HydrophobicContact CD-SD 4.03Å; K279-M436 HydrophobicContact CG-CG 4.09Å; K279-M436 HydrophobicContact CG-SD 3.79Å; K279-K455 HydrophobicContact CD-CB 4.47Å | ||
| 280 | L | 92.3 | Very high | 95.4 | Very high | 31 Ų | 31 | 27.8 Ų | 27.8 | 16% | 0.162 | 16% | 0.164 | C | C | . | . | trans | -70.6 | 138.5 | 177.1 | -60.6 | 173.5 | 0 | 0 | 0 | 112.4 | T278 E337 M339 C371 V409 | T278-L280 HydrophobicContact CG2-CD2 3.91Å; T278-L280 HydrophobicContact CG2-CG 4.43Å; T278-L280 PolarHBondContact O-N 3.37Å; L280-E337 HydrophobicContact CB-CB 4.14Å; L280-E337 HydrophobicContact CB-CG 4.11Å; L280-E337 HydrophobicContact CD1-CB 4.17Å; L280-M339 HydrophobicContact CB-CE 4.34Å; L280-M339 HydrophobicContact CB-SD 3.86Å; L280-C371 HydrophobicContact CD1-CB 3.28Å; L280-V409 HydrophobicContact CD1-CG2 3.72Å | ||
| 281 | D | 88.4 | Confident | 95.7 | Very high | 18 Ų | 18 | 26.4 Ų | 26.4 | 10% | 0.096 | 15% | 0.15 | C | C | . | . | trans | -100.6 | 64.2 | 179 | -174.9 | 24.5 | 0 | 0 | 0 | 111.8 | E433 R583 | D281-E433 WeakPolarHBondContact CA-OE2 2.63Å; D281-E433 HydrophobicContact CB-CB 4.16Å; D281-E433 HydrophobicContact CB-CG 4.34Å; D281-R583 IonicContact OD1-CZ 2.79Å; D281-R583 IonicContact OD1-NH1 3.37Å; D281-R583 IonicContact OD1-NH2 3.97Å; D281-R583 PolarHBondContact OD1-NH2 3.49Å; D281-R583 IonicContact OD2-CZ 3.27Å; D281-R583 IonicContact OD2-NH1 2.7Å; D281-R583 PolarHBondContact OD2-NH1 3.11Å; D281-R583 IonicContact OD2-NH2 3.24Å; D281-R583 PolarHBondContact OD2-NH2 3.47Å; D281-R583 VanDerWaalsContact OD2-NH2 3.13Å | ||
| 282 | G | 90.4 | Very high | 96 | Very high | 7 Ų | 7 | 25.1 Ų | 25.1 | 7% | 0.072 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -121 | -139.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | E337 M338 M339 | G282-E337 VanDerWaalsContact C-OE1 3.25Å; G282-M338 CarbonylContact C-O 3.5Å; G282-M338 VanDerWaalsContact CA-O 3.27Å; G282-M338 WeakPolarHBondContact CA-O 3.09Å; G282-M339 WeakPolarHBondContact CA-SD 3.41Å |
| 283 | E | 91.3 | Very high | 96.2 | Very high | 30 Ų | 30 | 25.4 Ų | 25.4 | 14% | 0.14 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 118.7 | 171.9 | -59.6 | -152 | 138 | 0 | 0 | 112.8 | I285 E337 M338 K351 I357 K358 | E283-I285 WeakPolarHBondContact O-CG1 3.13Å; E283-I285 PolarHBondContact O-N 3.02Å; E283-E337 WeakPolarHBondContact CA-OE1 3.48Å; E283-E337 PolarHBondContact N-OE1 3.36Å; E283-M338 HydrophobicContact CB-CB 4.5Å; E283-M338 PolarHBondContact N-O 2.79Å; E283-M338 WeakPolarHBondContact O-CB 3.17Å; E283-M338 PolarHBondContact O-N 2.84Å; E283-K351 IonicContact OE1-NZ 3.74Å; E283-K351 PolarHBondContact OE1-NZ 3.47Å; E283-I357 HydrophobicContact CG-CD1 4.46Å; E283-K358 VanDerWaalsContact CD-CE 3.47Å; E283-K358 VanDerWaalsContact OE2-CD 3.25Å; E283-K358 WeakPolarHBondContact OE2-CD 3.36Å; E283-K358 WeakPolarHBondContact OE2-CE 3.18Å; E283-K358 WeakPolarHBondContact OE2-CG 3.21Å; E283-K358 IonicContact OE2-NZ 3.79Å |
| 284 | R | 96.5 | Very high | 96.4 | Very high | 41 Ų | 41 | 23.3 Ų | 23.3 | 16% | 0.155 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.5 | 119.1 | 173.4 | -169.7 | 65 | 163.9 | -141.1 | 1.8 | 113 | P254 R299 D335 G336 E337 | P254-R284 HydrophobicContact CB-CG 4.35Å; P254-R284 HydrophobicContact CG-CG 4.23Å; R284-R299 HydrophobicContact CB-CB 4.11Å; R284-R299 HydrophobicContact CG-CB 4.38Å; R284-R299 PolarHBondContact O-N 3.17Å; R284-D335 IonicContact CZ-OD1 3.94Å; R284-D335 VanDerWaalsContact CZ-OD1 3.32Å; R284-D335 IonicContact CZ-OD2 3.2Å; R284-D335 IonicContact NE-OD1 3.43Å; R284-D335 PolarHBondContact NE-OD1 3.34Å; R284-D335 IonicContact NE-OD2 3.12Å; R284-D335 IonicContact NH2-OD1 2.95Å; R284-D335 PolarHBondContact NH2-OD1 2.99Å; R284-D335 IonicContact NH2-OD2 3.77Å; R284-D335 PolarHBondContact NH2-OD2 3.36Å; R284-G336 WeakPolarHBondContact CD-O 3.29Å; R284-E337 VanDerWaalsContact CA-OE2 3.29Å; R284-E337 WeakPolarHBondContact CA-OE2 3.31Å; R284-E337 VanDerWaalsContact CD-OE2 3.3Å; R284-E337 WeakPolarHBondContact CD-OE2 3.38Å; R284-E337 PolarHBondContact N-OE1 2.89Å; R284-E337 PolarHBondContact N-OE2 3.46Å; R284-E337 IonicContact NH1-OE2 3.29Å |
| 285 | I | 97.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 134.7 | 178.9 | -66.8 | -64.9 | 0 | 0 | 0 | 109.7 | E283 Y296 F297 T298 F308 G336 M338 F370 | E283-I285 WeakPolarHBondContact O-CG1 3.13Å; E283-I285 PolarHBondContact O-N 3.02Å; I285-Y296 HydrophobicContact CG2-CD1 3.82Å; I285-F297 CarbonylContact C-O 3.58Å; I285-F297 WeakPolarHBondContact CA-O 3.25Å; I285-T298 HydrophobicContact CD1-CG2 3.7Å; I285-F308 HydrophobicContact CD1-CE2 3.84Å; I285-F308 HydrophobicContact CD1-CZ 4.44Å; I285-F308 HydrophobicContact CG1-CE2 4.24Å; I285-G336 PolarHBondContact N-O 3.09Å; I285-G336 PolarHBondContact O-N 2.87Å; I285-M338 HydrophobicContact CB-CE 4.19Å; I285-M338 HydrophobicContact CG1-CB 3.81Å; I285-M338 HydrophobicContact CG1-CE 4.07Å; I285-M338 HydrophobicContact CG2-CE 3.98Å; I285-F370 HydrophobicContact CB-CE2 3.98Å; I285-F370 HydrophobicContact CG2-CE2 4.17Å; I285-F370 WeakPolarHBondContact O-CE2 3.35Å; I285-F370 WeakPolarHBondContact O-CZ 3.17Å |
| 286 | Q | 98 | Very high | 96.4 | Very high | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 130 | 163.3 | 52.1 | 178.2 | 98.5 | 0 | 0 | 109.2 | F252 H288 Y296 F297 L334 | F252-Q286 VanDerWaalsContact CD1-NE2 3.34Å; F252-Q286 HydrophobicContact CE1-CB 4Å; F252-Q286 HydrophobicContact CE1-CG 4.38Å; F252-Q286 VanDerWaalsContact CE1-NE2 3.35Å; F252-Q286 HydrophobicContact CZ-CB 3.86Å; F252-Q286 PolarHBondContact O-OE1 3.34Å; Q286-H288 PolarHBondContact NE2-NE2 3.32Å; Q286-Y296 WeakPolarHBondContact O-CA 3.37Å; Q286-F297 HydrophobicContact CG-CB 3.52Å; Q286-F297 HydrophobicContact CG-CD2 3.99Å; Q286-F297 HydrophobicContact CG-CG 4.25Å; Q286-F297 VanDerWaalsContact CG-O 3.26Å; Q286-F297 WeakPolarHBondContact CG-O 3.12Å; Q286-F297 PolarHBondContact N-O 2.88Å; Q286-F297 PolarHBondContact O-N 3.49Å; Q286-L334 CarbonylContact C-O 3.51Å; Q286-L334 VanDerWaalsContact CA-O 3.28Å; Q286-L334 WeakPolarHBondContact CA-O 3.46Å |
| 287 | L | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 127.5 | 175.6 | 176.1 | 162.1 | 0 | 0 | 0 | 108.5 | K289 Y294 Y296 I321 F325 I333 L334 F370 | L287-K289 HydrophobicContact CD2-CB 4.04Å; L287-Y294 HydrophobicContact CD1-CD1 4.48Å; L287-Y294 HydrophobicContact CD2-CD1 4.27Å; L287-Y294 HydrophobicContact CD2-CE1 4.48Å; L287-Y294 HydrophobicContact CG-CD1 4.41Å; L287-Y296 HydrophobicContact CB-CD1 4.26Å; L287-Y296 HydrophobicContact CB-CE1 4.08Å; L287-Y296 HydrophobicContact CD1-CE1 3.58Å; L287-Y296 HydrophobicContact CG-CD1 4.4Å; L287-Y296 HydrophobicContact CG-CE1 3.82Å; L287-I321 HydrophobicContact CD1-CD1 3.63Å; L287-F325 HydrophobicContact CD2-CZ 4.17Å; L287-I333 CarbonylContact O-C 3.59Å; L287-I333 VanDerWaalsContact O-CA 3.32Å; L287-I333 WeakPolarHBondContact O-CA 3.22Å; L287-L334 HydrophobicContact CB-CB 4.33Å; L287-L334 HydrophobicContact CD2-CD1 4.43Å; L287-L334 PolarHBondContact N-O 3.02Å; L287-L334 PolarHBondContact O-N 3.02Å; L287-F370 HydrophobicContact CB-CE1 3.69Å; L287-F370 HydrophobicContact CB-CZ 4.08Å; L287-F370 HydrophobicContact CD1-CD1 4.12Å; L287-F370 HydrophobicContact CD1-CE1 4Å; L287-F370 HydrophobicContact CG-CE1 4.49Å |
| 288 | H | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 132.1 | 172.5 | -67.9 | -122.7 | 0 | 0 | 0 | 108.3 | L248 F249 F250 F252 Q286 Y294 K295 F297 C332 | L248-H288 HydrophobicContact CD1-CB 4.09Å; F249-H288 HydrophobicContact CD1-CB 3.61Å; F249-H288 HydrophobicContact CE1-CB 3.85Å; F249-H288 PolarHBondContact N-ND1 3.26Å; F250-H288 PolarHBondContact O-CE1 3.27Å; F252-H288 AromaticContact CE1-NE2 3.74Å; Q286-H288 PolarHBondContact NE2-NE2 3.32Å; H288-Y294 CarbonylContact O-C 3.51Å; H288-Y294 VanDerWaalsContact O-CA 3.28Å; H288-Y294 WeakPolarHBondContact O-CA 3.43Å; H288-K295 HydrophobicContact CB-CB 4.34Å; H288-K295 PolarHBondContact N-O 3.14Å; H288-K295 PolarHBondContact O-N 2.87Å; H288-F297 AromaticContact CD2-CD2 3.8Å; H288-F297 AromaticContact CD2-CE2 3.85Å; H288-F297 AromaticContact NE2-CD2 3.96Å; H288-C332 CarbonylContact C-O 3.54Å; H288-C332 WeakPolarHBondContact CA-O 3.45Å |
| 289 | K | 98.4 | Very high | 96.2 | Very high | 10 Ų | 10 | 30.5 Ų | 30.5 | 4% | 0.043 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 137.1 | -179.5 | 177.6 | -169.9 | 179.9 | -48.8 | 0 | 109.9 | L287 G291 V293 Y294 F325 V329 V330 K331 C332 | L287-K289 HydrophobicContact CD2-CB 4.04Å; K289-G291 WeakPolarHBondContact CE-O 3.15Å; K289-G291 PolarHBondContact NZ-O 3.05Å; K289-V293 CarbonylContact C-O 3.54Å; K289-V293 WeakPolarHBondContact CA-O 3.36Å; K289-Y294 HydrophobicContact CB-CD1 4.11Å; K289-Y294 HydrophobicContact CB-CE1 3.93Å; K289-Y294 HydrophobicContact CD-CE1 3.87Å; K289-Y294 VanDerWaalsContact CE-OH 3.23Å; K289-Y294 WeakPolarHBondContact CE-OH 3.27Å; K289-Y294 HydrophobicContact CG-CD1 4.23Å; K289-Y294 HydrophobicContact CG-CE1 3.68Å; K289-Y294 HydrophobicContact CG-CE2 4.3Å; K289-F325 HydrophobicContact CD-CD1 4.04Å; K289-F325 HydrophobicContact CD-CD2 4.04Å; K289-F325 HydrophobicContact CD-CE1 4.04Å; K289-F325 HydrophobicContact CD-CE2 4.06Å; K289-F325 HydrophobicContact CD-CG 4.03Å; K289-F325 HydrophobicContact CD-CZ 4.05Å; K289-V329 PolarHBondContact NZ-O 2.92Å; K289-V330 PolarHBondContact NZ-O 2.72Å; K289-K331 CarbonylContact O-C 3.49Å; K289-K331 VanDerWaalsContact O-CA 3.23Å; K289-K331 WeakPolarHBondContact O-CA 3.47Å; K289-C332 HydrophobicContact CB-CB 4.35Å; K289-C332 PolarHBondContact N-O 3.13Å; K289-C332 PolarHBondContact O-N 3.24Å |
| 290 | D | 98.2 | Very high | 96 | Very high | 57 Ų | 57 | 33.4 Ų | 33.4 | 31% | 0.305 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 103.3 | 162.7 | -164.4 | -7.8 | 0 | 0 | 0 | 109 | L248 F249 D292 V293 K331 | L248-D290 HydrophobicContact CD2-CB 3.91Å; F249-D290 HydrophobicContact CE2-CB 3.6Å; F249-D290 HydrophobicContact CZ-CB 3.43Å; F249-D290 VanDerWaalsContact CZ-CB 3.43Å; D290-D292 PolarHBondContact O-N 2.88Å; D290-V293 PolarHBondContact N-O 3.15Å; D290-V293 WeakPolarHBondContact O-CB 3.44Å; D290-V293 PolarHBondContact O-N 3.06Å; D290-K331 WeakPolarHBondContact OD1-CG 3.3Å |
| 291 | G | 97.1 | Very high | 96 | Very high | 23 Ų | 23 | 32.3 Ų | 32.3 | 24% | 0.237 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | -116.5 | -172.5 | 0 | 0 | 0 | 0 | 0 | 111 | K289 V330 | K289-G291 WeakPolarHBondContact CE-O 3.15Å; K289-G291 PolarHBondContact NZ-O 3.05Å; G291-V330 PolarHBondContact N-O 3.39Å |
| 292 | D | 97.9 | Very high | 96.2 | Very high | 97 Ų | 97 | 36.5 Ų | 36.5 | 52% | 0.519 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92 | -0.2 | 180 | -63.6 | -7.4 | 0 | 0 | 0 | 113.2 | D290 Y294 S311 P312 H322 | D290-D292 PolarHBondContact O-N 2.88Å; D292-Y294 WeakPolarHBondContact O-CD2 3.43Å; D292-S311 WeakPolarHBondContact O-CA 3.41Å; D292-P312 HydrophobicContact CB-CG 4.16Å; D292-P312 WeakPolarHBondContact O-CD 3.35Å; D292-H322 IonicContact OD1-CE1 2.7Å; D292-H322 PolarHBondContact OD1-CE1 2.93Å; D292-H322 IonicContact OD1-NE2 3.13Å |
| 293 | V | 98.4 | Very high | 96.3 | Very high | 77 Ų | 77 | 41 Ų | 41 | 47% | 0.467 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 123.3 | -179 | -177.1 | 0 | 0 | 0 | 0 | 110.1 | F249 K289 D290 | F249-V293 HydrophobicContact CE1-CG1 4.26Å; F249-V293 HydrophobicContact CE2-CG1 4.3Å; F249-V293 HydrophobicContact CZ-CB 4.06Å; F249-V293 HydrophobicContact CZ-CG1 3.75Å; K289-V293 CarbonylContact C-O 3.54Å; K289-V293 WeakPolarHBondContact CA-O 3.36Å; D290-V293 PolarHBondContact N-O 3.15Å; D290-V293 WeakPolarHBondContact O-CB 3.44Å; D290-V293 PolarHBondContact O-N 3.06Å |
| 294 | Y | 98.6 | Very high | 96.4 | Very high | 1 Ų | 1 | 43 Ų | 43 | 0% | 0.004 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 144.7 | 179.1 | -68.1 | -103.6 | 0 | 0 | 0 | 111.3 | L287 H288 K289 D292 T305 A310 T318 H322 F325 | L287-Y294 HydrophobicContact CD1-CD1 4.48Å; L287-Y294 HydrophobicContact CD2-CD1 4.27Å; L287-Y294 HydrophobicContact CD2-CE1 4.48Å; L287-Y294 HydrophobicContact CG-CD1 4.41Å; H288-Y294 CarbonylContact O-C 3.51Å; H288-Y294 VanDerWaalsContact O-CA 3.28Å; H288-Y294 WeakPolarHBondContact O-CA 3.43Å; K289-Y294 HydrophobicContact CB-CD1 4.11Å; K289-Y294 HydrophobicContact CB-CE1 3.93Å; K289-Y294 HydrophobicContact CD-CE1 3.87Å; K289-Y294 VanDerWaalsContact CE-OH 3.23Å; K289-Y294 WeakPolarHBondContact CE-OH 3.27Å; K289-Y294 HydrophobicContact CG-CD1 4.23Å; K289-Y294 HydrophobicContact CG-CE1 3.68Å; K289-Y294 HydrophobicContact CG-CE2 4.3Å; D292-Y294 WeakPolarHBondContact O-CD2 3.43Å; Y294-T305 WeakPolarHBondContact O-CG2 3.37Å; Y294-A310 PolarHBondContact N-O 3.12Å; Y294-T318 HydrophobicContact CD1-CG2 4.05Å; Y294-T318 HydrophobicContact CD2-CG2 3.42Å; Y294-T318 VanDerWaalsContact CD2-CG2 3.42Å; Y294-T318 HydrophobicContact CE1-CG2 4.24Å; Y294-T318 HydrophobicContact CE2-CG2 3.67Å; Y294-T318 HydrophobicContact CG-CG2 3.63Å; Y294-H322 AromaticContact CE2-ND1 3.78Å; Y294-H322 AromaticContact CZ-ND1 3.79Å; Y294-H322 PolarHBondContact OH-ND1 3.21Å; Y294-F325 HydrophobicContact CE1-CE2 4.04Å; Y294-F325 HydrophobicContact CE1-CZ 4.47Å |
| 295 | K | 98.5 | Very high | 96.3 | Very high | 65 Ų | 65 | 41.6 Ų | 41.6 | 28% | 0.283 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 143.1 | 166 | -64.9 | -164.8 | 179 | -165.7 | 0 | 111.4 | F249 H288 F297 T305 | F249-K295 HydrophobicContact CB-CD 4.06Å; F249-K295 HydrophobicContact CD1-CB 3.92Å; F249-K295 HydrophobicContact CD1-CD 3.76Å; F249-K295 HydrophobicContact CD1-CG 3.66Å; F249-K295 HydrophobicContact CE1-CB 4.33Å; F249-K295 HydrophobicContact CE1-CG 4.03Å; F249-K295 HydrophobicContact CG-CD 4.14Å; F249-K295 HydrophobicContact CG-CG 4.48Å; H288-K295 HydrophobicContact CB-CB 4.34Å; H288-K295 PolarHBondContact N-O 3.14Å; H288-K295 PolarHBondContact O-N 2.87Å; K295-F297 HydrophobicContact CB-CE2 3.8Å; K295-F297 HydrophobicContact CB-CZ 3.89Å; K295-F297 HydrophobicContact CD-CE2 4.41Å; K295-F297 HydrophobicContact CD-CZ 3.78Å; K295-T305 WeakPolarHBondContact CA-OG1 3.28Å |
| 296 | Y | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 122.4 | -177.9 | -64.4 | -96.8 | 0 | 0 | 0 | 109.8 | I285 Q286 L287 E303 Y304 T305 F308 G309 L317 T318 | I285-Y296 HydrophobicContact CG2-CD1 3.82Å; Q286-Y296 WeakPolarHBondContact O-CA 3.37Å; L287-Y296 HydrophobicContact CB-CD1 4.26Å; L287-Y296 HydrophobicContact CB-CE1 4.08Å; L287-Y296 HydrophobicContact CD1-CE1 3.58Å; L287-Y296 HydrophobicContact CG-CD1 4.4Å; L287-Y296 HydrophobicContact CG-CE1 3.82Å; Y296-E303 CarbonylContact O-C 3.46Å; Y296-E303 WeakPolarHBondContact O-CA 3.38Å; Y296-Y304 PolarHBondContact O-N 2.88Å; Y296-T305 PolarHBondContact N-OG1 3.43Å; Y296-F308 HydrophobicContact CD1-CB 3.9Å; Y296-F308 AromaticContact CD1-CD2 3.92Å; Y296-F308 HydrophobicContact CD1-CD2 3.92Å; Y296-F308 HydrophobicContact CD1-CG 4.16Å; Y296-F308 HydrophobicContact CD2-CB 3.66Å; Y296-F308 HydrophobicContact CD2-CD2 4.47Å; Y296-F308 HydrophobicContact CE1-CB 3.95Å; Y296-F308 HydrophobicContact CE1-CG 4.5Å; Y296-F308 HydrophobicContact CE2-CB 3.74Å; Y296-F308 HydrophobicContact CG-CB 3.75Å; Y296-F308 AromaticContact CG-CD2 3.78Å; Y296-F308 HydrophobicContact CG-CD2 3.78Å; Y296-F308 HydrophobicContact CG-CG 4.17Å; Y296-G309 VanDerWaalsContact CE2-O 3.28Å; Y296-G309 WeakPolarHBondContact CE2-O 3.23Å; Y296-L317 HydrophobicContact CE1-CD2 3.93Å; Y296-T318 WeakPolarHBondContact CE2-OG1 3.22Å; Y296-T318 PolarHBondContact OH-OG1 3.15Å |
| 297 | F | 97.4 | Very high | 95.7 | Very high | 12 Ų | 12 | 52.9 Ų | 52.9 | 5% | 0.053 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 139.8 | 175.7 | -45.5 | -87.8 | 0 | 0 | 0 | 111.4 | A251 I285 Q286 H288 K295 F302 E303 | A251-F297 HydrophobicContact CB-CB 4.02Å; A251-F297 HydrophobicContact CB-CD1 3.69Å; A251-F297 HydrophobicContact CB-CD2 4.14Å; A251-F297 HydrophobicContact CB-CE1 4.12Å; A251-F297 HydrophobicContact CB-CG 3.69Å; A251-F297 HydrophobicContact CB-CZ 4.5Å; I285-F297 CarbonylContact C-O 3.58Å; I285-F297 WeakPolarHBondContact CA-O 3.25Å; Q286-F297 HydrophobicContact CG-CB 3.52Å; Q286-F297 HydrophobicContact CG-CD2 3.99Å; Q286-F297 HydrophobicContact CG-CG 4.25Å; Q286-F297 VanDerWaalsContact CG-O 3.26Å; Q286-F297 WeakPolarHBondContact CG-O 3.12Å; Q286-F297 PolarHBondContact N-O 2.88Å; Q286-F297 PolarHBondContact O-N 3.49Å; H288-F297 AromaticContact CD2-CD2 3.8Å; H288-F297 AromaticContact CD2-CE2 3.85Å; H288-F297 AromaticContact NE2-CD2 3.96Å; K295-F297 HydrophobicContact CB-CE2 3.8Å; K295-F297 HydrophobicContact CB-CZ 3.89Å; K295-F297 HydrophobicContact CD-CE2 4.41Å; K295-F297 HydrophobicContact CD-CZ 3.78Å; F297-F302 WeakPolarHBondContact CA-O 3.18Å; F297-E303 HydrophobicContact CD1-CB 3.94Å; F297-E303 HydrophobicContact CD1-CG 4.24Å; F297-E303 HydrophobicContact CE1-CB 3.99Å; F297-E303 HydrophobicContact CE1-CG 4.01Å |
| 298 | T | 95.5 | Very high | 95.6 | Very high | 9 Ų | 9 | 52.9 Ų | 52.9 | 6% | 0.055 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 169.1 | 174.8 | 57.1 | 0 | 0 | 0 | 0 | 111.6 | I285 N300 S301 F302 Y304 | I285-T298 HydrophobicContact CD1-CG2 3.7Å; T298-N300 PolarHBondContact O-N 2.79Å; T298-S301 WeakPolarHBondContact O-CA 3.32Å; T298-S301 PolarHBondContact O-N 3.3Å; T298-F302 PolarHBondContact N-O 3.08Å; T298-F302 WeakPolarHBondContact OG1-CB 3.36Å; T298-F302 PolarHBondContact OG1-N 2.69Å; T298-F302 VanDerWaalsContact OG1-N 3.14Å; T298-F302 PolarHBondContact OG1-O 3.45Å; T298-Y304 HydrophobicContact CG2-CD2 3.33Å; T298-Y304 HydrophobicContact CG2-CE2 3.58Å; T298-Y304 HydrophobicContact CG2-CG 4.15Å |
| 299 | R | 94.8 | Very high | 95.4 | Very high | 126 Ų | 126 | 52.9 Ų | 52.9 | 48% | 0.475 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -44.8 | -38 | 170.2 | -178.3 | 173.8 | 174.3 | -171.8 | -5.9 | 115.5 | R284 S301 | R284-R299 HydrophobicContact CB-CB 4.11Å; R284-R299 HydrophobicContact CG-CB 4.38Å; R284-R299 PolarHBondContact O-N 3.17Å; R299-S301 VanDerWaalsContact C-N 3.25Å |
| 300 | N | 90.9 | Very high | 95.4 | Very high | 97 Ų | 97 | 54 Ų | 54 | 52% | 0.519 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 14.4 | -180 | -71.5 | -37.1 | 0 | 0 | 0 | 112.6 | R83 T298 F302 | R83-N300 PolarHBondContact NE-O 3.13Å; R83-N300 VanDerWaalsContact NE-O 3.1Å; R83-N300 PolarHBondContact NH2-O 3.43Å; T298-N300 PolarHBondContact O-N 2.79Å; N300-F302 VanDerWaalsContact C-N 3.3Å; N300-F302 HydrophobicContact CB-CD2 3.83Å; N300-F302 HydrophobicContact CB-CE2 3.84Å; N300-F302 PolarHBondContact O-N 3.4Å |
| 301 | S | 93.1 | Very high | 95.4 | Very high | 7 Ų | 7 | 52.9 Ų | 52.9 | 5% | 0.049 | 27% | 0.266 | C | S | . | . | trans | 65.1 | 31.4 | 174.8 | -36.9 | 0 | 0 | 0 | 0 | 112.8 | T225 K253 T298 R299 | T225-S301 WeakPolarHBondContact CG2-OG 3.13Å; T225-S301 PolarHBondContact OG1-OG 2.77Å; T225-S301 VanDerWaalsContact OG1-OG 3.11Å; K253-S301 PolarHBondContact NZ-OG 2.75Å; T298-S301 WeakPolarHBondContact O-CA 3.32Å; T298-S301 PolarHBondContact O-N 3.3Å; R299-S301 VanDerWaalsContact C-N 3.25Å | ||
| 302 | F | 91.6 | Very high | 95.4 | Very high | 106 Ų | 106 | 53.1 Ų | 53.1 | 47% | 0.465 | 26% | 0.263 | S | S | . | . | trans | -89.7 | 135.3 | 167 | -66.7 | -80.7 | 0 | 0 | 0 | 109.4 | F297 T298 N300 Y304 | F297-F302 WeakPolarHBondContact CA-O 3.18Å; T298-F302 PolarHBondContact N-O 3.08Å; T298-F302 WeakPolarHBondContact OG1-CB 3.36Å; T298-F302 PolarHBondContact OG1-N 2.69Å; T298-F302 VanDerWaalsContact OG1-N 3.14Å; T298-F302 PolarHBondContact OG1-O 3.45Å; N300-F302 VanDerWaalsContact C-N 3.3Å; N300-F302 HydrophobicContact CB-CD2 3.83Å; N300-F302 HydrophobicContact CB-CE2 3.84Å; N300-F302 PolarHBondContact O-N 3.4Å; F302-Y304 HydrophobicContact CB-CD2 4.33Å; F302-Y304 HydrophobicContact CB-CE2 4.03Å | ||
| 303 | E | 92.9 | Very high | 95.2 | Very high | 102 Ų | 102 | 56.2 Ų | 56.2 | 48% | 0.477 | 28% | 0.279 | S | S | . | . | B | Isolated β-bridge | trans | -76.8 | 131.9 | 177.3 | -170.3 | 168.6 | 173.8 | 0 | 0 | 111.2 | Y296 F297 T305 | Y296-E303 CarbonylContact O-C 3.46Å; Y296-E303 WeakPolarHBondContact O-CA 3.38Å; F297-E303 HydrophobicContact CD1-CB 3.94Å; F297-E303 HydrophobicContact CD1-CG 4.24Å; F297-E303 HydrophobicContact CE1-CB 3.99Å; F297-E303 HydrophobicContact CE1-CG 4.01Å; E303-T305 WeakPolarHBondContact CG-OG1 3.26Å; E303-T305 WeakPolarHBondContact OE1-CB 3.41Å; E303-T305 PolarHBondContact OE1-OG1 2.77Å |
| 304 | Y | 93.7 | Very high | 95 | Very high | 73 Ų | 73 | 57.2 Ų | 57.2 | 29% | 0.286 | 28% | 0.278 | S | S | . | . | trans | -125.5 | 22 | 178.8 | -89.2 | -96.4 | 0 | 0 | 0 | 111.9 | Y296 T298 F302 Q306 Q307 F308 K358 | Y296-Y304 PolarHBondContact O-N 2.88Å; T298-Y304 HydrophobicContact CG2-CD2 3.33Å; T298-Y304 HydrophobicContact CG2-CE2 3.58Å; T298-Y304 HydrophobicContact CG2-CG 4.15Å; F302-Y304 HydrophobicContact CB-CD2 4.33Å; F302-Y304 HydrophobicContact CB-CE2 4.03Å; Y304-Q306 VanDerWaalsContact C-N 3.28Å; Y304-Q306 PolarHBondContact O-N 3.11Å; Y304-Q307 HydrophobicContact CD1-CB 4.4Å; Y304-Q307 WeakPolarHBondContact O-CB 3.43Å; Y304-Q307 PolarHBondContact O-N 3.1Å; Y304-F308 HydrophobicContact CG-CE2 4.49Å; Y304-F308 WeakPolarHBondContact O-CD2 3.18Å; Y304-F308 PolarHBondContact O-N 2.82Å; Y304-K358 HydrophobicContact CD1-CB 4.08Å; Y304-K358 HydrophobicContact CD1-CD 4.28Å; Y304-K358 HydrophobicContact CD1-CG 4.11Å; Y304-K358 HydrophobicContact CE1-CB 3.69Å; Y304-K358 HydrophobicContact CE1-CD 3.54Å; Y304-K358 HydrophobicContact CE1-CG 3.79Å; Y304-K358 HydrophobicContact CE2-CD 4.43Å; Y304-K358 VanDerWaalsContact CZ-NZ 3.28Å; Y304-K358 PolarHBondContact OH-NZ 2.7Å | ||
| 305 | T | 95.2 | Very high | 94.7 | Very high | 10 Ų | 10 | 58.5 Ų | 58.5 | 6% | 0.061 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -56.8 | -39.6 | -179 | -49.1 | 0 | 0 | 0 | 0 | 112.5 | Y294 K295 Y296 E303 Q307 F308 G309 A310 | Y294-T305 WeakPolarHBondContact O-CG2 3.37Å; K295-T305 WeakPolarHBondContact CA-OG1 3.28Å; Y296-T305 PolarHBondContact N-OG1 3.43Å; E303-T305 WeakPolarHBondContact CG-OG1 3.26Å; E303-T305 WeakPolarHBondContact OE1-CB 3.41Å; E303-T305 PolarHBondContact OE1-OG1 2.77Å; T305-Q307 PolarHBondContact O-N 3.06Å; T305-F308 PolarHBondContact O-N 3Å; T305-G309 CarbonylContact O-C 3.23Å; T305-G309 VanDerWaalsContact O-C 3.31Å; T305-G309 WeakPolarHBondContact O-CA 3.17Å; T305-G309 PolarHBondContact O-N 2.97Å; T305-A310 HydrophobicContact CG2-CB 3.61Å |
| 306 | Q | 92.5 | Very high | 94.4 | Very high | 191 Ų | 191 | 55.9 Ų | 55.9 | 89% | 0.893 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -58.5 | -31.2 | 177.2 | -69 | -176.6 | -4.6 | 0 | 0 | 113.6 | Y304 | Y304-Q306 VanDerWaalsContact C-N 3.28Å; Y304-Q306 PolarHBondContact O-N 3.11Å |
| 307 | Q | 90.7 | Very high | 94.2 | Very high | 47 Ų | 47 | 55.9 Ų | 55.9 | 22% | 0.22 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -81.2 | -48.2 | 179.5 | 175.5 | 64.2 | 30.6 | 0 | 0 | 111.3 | Y304 T305 S316 K358 L360 | Y304-Q307 HydrophobicContact CD1-CB 4.4Å; Y304-Q307 WeakPolarHBondContact O-CB 3.43Å; Y304-Q307 PolarHBondContact O-N 3.1Å; T305-Q307 PolarHBondContact O-N 3.06Å; Q307-S316 PolarHBondContact O-N 2.84Å; Q307-S316 PolarHBondContact O-OG 2.86Å; Q307-K358 VanDerWaalsContact CG-O 3.31Å; Q307-K358 WeakPolarHBondContact CG-O 3.39Å; Q307-K358 PolarHBondContact OE1-O 3.07Å; Q307-K358 VanDerWaalsContact OE1-O 3.13Å; Q307-L360 PolarHBondContact NE2-O 3.24Å |
| 308 | F | 94.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -87.6 | -19.3 | -171.7 | -61.1 | -54.9 | 0 | 0 | 0 | 113.5 | I285 Y296 Y304 T305 L317 T318 M338 T368 | I285-F308 HydrophobicContact CD1-CE2 3.84Å; I285-F308 HydrophobicContact CD1-CZ 4.44Å; I285-F308 HydrophobicContact CG1-CE2 4.24Å; Y296-F308 HydrophobicContact CD1-CB 3.9Å; Y296-F308 AromaticContact CD1-CD2 3.92Å; Y296-F308 HydrophobicContact CD1-CD2 3.92Å; Y296-F308 HydrophobicContact CD1-CG 4.16Å; Y296-F308 HydrophobicContact CD2-CB 3.66Å; Y296-F308 HydrophobicContact CD2-CD2 4.47Å; Y296-F308 HydrophobicContact CE1-CB 3.95Å; Y296-F308 HydrophobicContact CE1-CG 4.5Å; Y296-F308 HydrophobicContact CE2-CB 3.74Å; Y296-F308 HydrophobicContact CG-CB 3.75Å; Y296-F308 AromaticContact CG-CD2 3.78Å; Y296-F308 HydrophobicContact CG-CD2 3.78Å; Y296-F308 HydrophobicContact CG-CG 4.17Å; Y304-F308 HydrophobicContact CG-CE2 4.49Å; Y304-F308 WeakPolarHBondContact O-CD2 3.18Å; Y304-F308 PolarHBondContact O-N 2.82Å; T305-F308 PolarHBondContact O-N 3Å; F308-L317 HydrophobicContact CB-CB 4.37Å; F308-L317 HydrophobicContact CD1-CB 4.42Å; F308-L317 PolarHBondContact O-N 2.99Å; F308-T318 WeakPolarHBondContact O-CB 3.38Å; F308-T318 PolarHBondContact O-N 3.02Å; F308-T318 PolarHBondContact O-OG1 3.43Å; F308-M338 HydrophobicContact CD1-CE 4.07Å; F308-M338 HydrophobicContact CD2-CE 4.37Å; F308-M338 HydrophobicContact CE1-CE 3.92Å; F308-M338 HydrophobicContact CE1-CG 3.99Å; F308-M338 HydrophobicContact CE1-SD 4.32Å; F308-M338 HydrophobicContact CE2-CE 4.21Å; F308-M338 HydrophobicContact CG-CE 4.3Å; F308-M338 HydrophobicContact CZ-CE 3.99Å; F308-M338 HydrophobicContact CZ-CG 4.04Å; F308-T368 HydrophobicContact CD1-CG2 4.1Å; F308-T368 HydrophobicContact CE1-CG2 3.92Å |
| 309 | G | 95.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 29% | 0.29 | C | S | . | . | trans | 116.5 | 130.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y296 T305 E314 T318 | Y296-G309 VanDerWaalsContact CE2-O 3.28Å; Y296-G309 WeakPolarHBondContact CE2-O 3.23Å; T305-G309 CarbonylContact O-C 3.23Å; T305-G309 VanDerWaalsContact O-C 3.31Å; T305-G309 WeakPolarHBondContact O-CA 3.17Å; T305-G309 PolarHBondContact O-N 2.97Å; G309-E314 WeakPolarHBondContact CA-O 3.45Å; G309-T318 WeakPolarHBondContact CA-OG1 3.41Å; G309-T318 PolarHBondContact O-OG1 3.37Å | ||
| 310 | A | 97.6 | Very high | 94.3 | Very high | 35 Ų | 35 | 55 Ų | 55 | 29% | 0.289 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -85 | -18.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y294 T305 E314 | Y294-A310 PolarHBondContact N-O 3.12Å; T305-A310 HydrophobicContact CG2-CB 3.61Å; A310-E314 WeakPolarHBondContact CB-OE1 3.27Å; A310-E314 PolarHBondContact N-OE1 2.9Å |
| 311 | S | 97.3 | Very high | 94.5 | Very high | 33 Ų | 33 | 50.4 Ų | 50.4 | 23% | 0.231 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -144 | 169.5 | -177.7 | 79.8 | 0 | 0 | 0 | 0 | 112.2 | D292 L313 E314 T318 | D292-S311 WeakPolarHBondContact O-CA 3.41Å; S311-L313 PolarHBondContact O-N 3.01Å; S311-L313 PolarHBondContact OG-N 3.11Å; S311-E314 PolarHBondContact O-N 2.89Å; S311-T318 VanDerWaalsContact O-CG2 3.3Å; S311-T318 WeakPolarHBondContact O-CG2 3.46Å |
| 312 | P | 97.1 | Very high | 94.7 | Very high | 28 Ų | 28 | 52.1 Ų | 52.1 | 18% | 0.182 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -7.4 | 178.1 | -23 | 36.3 | 0 | 0 | 0 | 114.8 | D292 P319 H322 | D292-P312 HydrophobicContact CB-CG 4.16Å; D292-P312 WeakPolarHBondContact O-CD 3.35Å; P312-P319 VanDerWaalsContact O-CA 3.31Å; P312-P319 WeakPolarHBondContact O-CA 3.46Å; P312-P319 VanDerWaalsContact O-CB 3.3Å; P312-P319 WeakPolarHBondContact O-CB 3.43Å; P312-H322 HydrophobicContact CB-CB 3.88Å; P312-H322 HydrophobicContact CG-CB 4.08Å; P312-H322 VanDerWaalsContact CG-CG 3.43Å; P312-H322 WeakPolarHBondContact CG-ND1 3.28Å |
| 313 | L | 95.4 | Very high | 94.9 | Very high | 162 Ų | 162 | 54 Ų | 54 | 85% | 0.848 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.5 | -9.1 | -174.9 | -57.1 | 178.6 | 0 | 0 | 0 | 113.5 | S311 | S311-L313 PolarHBondContact O-N 3.01Å; S311-L313 PolarHBondContact OG-N 3.11Å |
| 314 | E | 93.8 | Very high | 95.1 | Very high | 98 Ų | 98 | 49.8 Ų | 49.8 | 46% | 0.458 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -143.7 | 158.3 | -172.5 | 58.8 | 170 | -148.5 | 0 | 0 | 113.2 | G309 A310 S311 P319 | G309-E314 WeakPolarHBondContact CA-O 3.45Å; A310-E314 WeakPolarHBondContact CB-OE1 3.27Å; A310-E314 PolarHBondContact N-OE1 2.9Å; S311-E314 PolarHBondContact O-N 2.89Å; E314-P319 WeakPolarHBondContact O-CD 3.43Å; E314-P319 VanDerWaalsContact O-CG 3.28Å; E314-P319 WeakPolarHBondContact O-CG 3.47Å |
| 315 | G | 92.3 | Very high | 95.2 | Very high | 27 Ų | 27 | 47.1 Ų | 47.1 | 28% | 0.278 | 25% | 0.254 | S | S | . | . | S | Bend | trans | 91.7 | 166.7 | 172 | 0 | 0 | 0 | 0 | 0 | 115 | L317 P319 | G315-L317 VanDerWaalsContact C-N 3.29Å; G315-L317 PolarHBondContact O-N 2.84Å; G315-P319 VanDerWaalsContact O-CD 3.23Å; G315-P319 WeakPolarHBondContact O-CD 3.43Å; G315-P319 WeakPolarHBondContact O-CG 3.21Å |
| 316 | S | 91.4 | Very high | 95.3 | Very high | 10 Ų | 10 | 50.3 Ų | 50.3 | 7% | 0.07 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -77.3 | -9.1 | -169.7 | 73.7 | 0 | 0 | 0 | 0 | 115.1 | Q307 T368 R405 | Q307-S316 PolarHBondContact O-N 2.84Å; Q307-S316 PolarHBondContact O-OG 2.86Å; S316-T368 PolarHBondContact OG-OG1 2.93Å; S316-R405 PolarHBondContact O-NH1 2.92Å |
| 317 | L | 94.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -132.9 | -52.4 | -173.9 | -178 | 67.4 | 0 | 0 | 0 | 113.4 | Y296 F308 G315 F320 I321 M338 T368 F370 R405 | Y296-L317 HydrophobicContact CE1-CD2 3.93Å; F308-L317 HydrophobicContact CB-CB 4.37Å; F308-L317 HydrophobicContact CD1-CB 4.42Å; F308-L317 PolarHBondContact O-N 2.99Å; G315-L317 VanDerWaalsContact C-N 3.29Å; G315-L317 PolarHBondContact O-N 2.84Å; L317-F320 WeakPolarHBondContact O-CA 3.27Å; L317-F320 WeakPolarHBondContact O-CB 3.47Å; L317-F320 PolarHBondContact O-N 3.25Å; L317-I321 HydrophobicContact CD1-CD1 4.5Å; L317-I321 HydrophobicContact CD1-CG2 3.62Å; L317-I321 HydrophobicContact CD2-CD1 3.98Å; L317-I321 HydrophobicContact CG-CD1 3.85Å; L317-I321 HydrophobicContact CG-CG1 4.15Å; L317-I321 HydrophobicContact CG-CG2 4.05Å; L317-I321 PolarHBondContact O-N 2.99Å; L317-M338 HydrophobicContact CD2-CE 3.57Å; L317-M338 HydrophobicContact CD2-SD 3.91Å; L317-T368 HydrophobicContact CB-CG2 4.18Å; L317-T368 HydrophobicContact CD1-CG2 4.24Å; L317-T368 HydrophobicContact CD2-CG2 4.44Å; L317-F370 HydrophobicContact CD1-CB 4.49Å; L317-F370 HydrophobicContact CD2-CB 3.85Å; L317-F370 HydrophobicContact CD2-CG 4.46Å; L317-R405 WeakPolarHBondContact CD1-O 3.4Å |
| 318 | T | 97.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -50.5 | -44.9 | -171.4 | -52.1 | 0 | 0 | 0 | 0 | 113.9 | Y294 Y296 F308 G309 S311 F320 I321 H322 | Y294-T318 HydrophobicContact CD1-CG2 4.05Å; Y294-T318 HydrophobicContact CD2-CG2 3.42Å; Y294-T318 VanDerWaalsContact CD2-CG2 3.42Å; Y294-T318 HydrophobicContact CE1-CG2 4.24Å; Y294-T318 HydrophobicContact CE2-CG2 3.67Å; Y294-T318 HydrophobicContact CG-CG2 3.63Å; Y296-T318 WeakPolarHBondContact CE2-OG1 3.22Å; Y296-T318 PolarHBondContact OH-OG1 3.15Å; F308-T318 WeakPolarHBondContact O-CB 3.38Å; F308-T318 PolarHBondContact O-N 3.02Å; F308-T318 PolarHBondContact O-OG1 3.43Å; G309-T318 WeakPolarHBondContact CA-OG1 3.41Å; G309-T318 PolarHBondContact O-OG1 3.37Å; S311-T318 VanDerWaalsContact O-CG2 3.3Å; S311-T318 WeakPolarHBondContact O-CG2 3.46Å; T318-F320 PolarHBondContact O-N 3.32Å; T318-F320 VanDerWaalsContact O-N 3.16Å; T318-I321 PolarHBondContact O-N 3.45Å; T318-I321 VanDerWaalsContact O-N 3.14Å; T318-H322 PolarHBondContact O-N 3.41Å |
| 319 | P | 95.8 | Very high | 95.7 | Very high | 43 Ų | 43 | 50.6 Ų | 50.6 | 28% | 0.279 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.9 | -29 | 179.4 | -24.7 | 37.4 | 0 | 0 | 0 | 113.1 | P312 E314 G315 | P312-P319 VanDerWaalsContact O-CA 3.31Å; P312-P319 WeakPolarHBondContact O-CA 3.46Å; P312-P319 VanDerWaalsContact O-CB 3.3Å; P312-P319 WeakPolarHBondContact O-CB 3.43Å; E314-P319 WeakPolarHBondContact O-CD 3.43Å; E314-P319 VanDerWaalsContact O-CG 3.28Å; E314-P319 WeakPolarHBondContact O-CG 3.47Å; G315-P319 VanDerWaalsContact O-CD 3.23Å; G315-P319 WeakPolarHBondContact O-CD 3.43Å; G315-P319 WeakPolarHBondContact O-CG 3.21Å |
| 320 | F | 95.4 | Very high | 95.7 | Very high | 87 Ų | 87 | 54.1 Ų | 54.1 | 38% | 0.382 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -90.2 | -13.9 | -177 | -51.5 | -78.3 | 0 | 0 | 0 | 113.4 | L317 T318 R405 | L317-F320 WeakPolarHBondContact O-CA 3.27Å; L317-F320 WeakPolarHBondContact O-CB 3.47Å; L317-F320 PolarHBondContact O-N 3.25Å; T318-F320 PolarHBondContact O-N 3.32Å; T318-F320 VanDerWaalsContact O-N 3.16Å; F320-R405 HydrophobicContact CB-CG 4.1Å; F320-R405 VanDerWaalsContact CE2-NH1 3.27Å; F320-R405 VanDerWaalsContact CG-CZ 3.43Å |
| 321 | I | 96.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -116.9 | -8.2 | -177.5 | 69.3 | 163.1 | 0 | 0 | 0 | 113.4 | L287 L317 T318 N323 V324 F325 R405 I406 | L287-I321 HydrophobicContact CD1-CD1 3.63Å; L317-I321 HydrophobicContact CD1-CD1 4.5Å; L317-I321 HydrophobicContact CD1-CG2 3.62Å; L317-I321 HydrophobicContact CD2-CD1 3.98Å; L317-I321 HydrophobicContact CG-CD1 3.85Å; L317-I321 HydrophobicContact CG-CG1 4.15Å; L317-I321 HydrophobicContact CG-CG2 4.05Å; L317-I321 PolarHBondContact O-N 2.99Å; T318-I321 PolarHBondContact O-N 3.45Å; T318-I321 VanDerWaalsContact O-N 3.14Å; I321-N323 PolarHBondContact O-N 3.36Å; I321-V324 HydrophobicContact CB-CG2 4.11Å; I321-V324 WeakPolarHBondContact O-CG2 3.43Å; I321-V324 PolarHBondContact O-N 3.43Å; I321-F325 HydrophobicContact CD1-CE2 4.47Å; I321-F325 WeakPolarHBondContact O-CD2 3.46Å; I321-R405 HydrophobicContact CG2-CB 4.29Å; I321-I406 HydrophobicContact CB-CD1 4.47Å; I321-I406 HydrophobicContact CB-CG2 4.44Å; I321-I406 HydrophobicContact CD1-CD1 4.27Å; I321-I406 HydrophobicContact CG2-CB 3.87Å; I321-I406 HydrophobicContact CG2-CD1 4.47Å; I321-I406 HydrophobicContact CG2-CG2 3.94Å |
| 322 | H | 97 | Very high | 95.8 | Very high | 42 Ų | 42 | 53.9 Ų | 53.9 | 19% | 0.194 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -57.8 | -47.8 | -177.1 | 178.6 | 65.7 | 0 | 0 | 0 | 112.7 | D292 Y294 P312 T318 V324 | D292-H322 IonicContact OD1-CE1 2.7Å; D292-H322 PolarHBondContact OD1-CE1 2.93Å; D292-H322 IonicContact OD1-NE2 3.13Å; Y294-H322 AromaticContact CE2-ND1 3.78Å; Y294-H322 AromaticContact CZ-ND1 3.79Å; Y294-H322 PolarHBondContact OH-ND1 3.21Å; P312-H322 HydrophobicContact CB-CB 3.88Å; P312-H322 HydrophobicContact CG-CB 4.08Å; P312-H322 VanDerWaalsContact CG-CG 3.43Å; P312-H322 WeakPolarHBondContact CG-ND1 3.28Å; T318-H322 PolarHBondContact O-N 3.41Å; H322-V324 PolarHBondContact O-N 2.84Å |
| 323 | N | 95.8 | Very high | 95.9 | Very high | 145 Ų | 145 | 52.6 Ų | 52.6 | 78% | 0.775 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -78.6 | 0.6 | -177.3 | -64.6 | -29.9 | 0 | 0 | 0 | 114.3 | I321 | I321-N323 PolarHBondContact O-N 3.36Š|
| 324 | V | 95.8 | Very high | 96 | Very high | 14 Ų | 14 | 44.9 Ų | 44.9 | 9% | 0.085 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -86.4 | -21.5 | -178.4 | -50.6 | 0 | 0 | 0 | 0 | 112.8 | I321 H322 L399 T400 V402 I406 | I321-V324 HydrophobicContact CB-CG2 4.11Å; I321-V324 WeakPolarHBondContact O-CG2 3.43Å; I321-V324 PolarHBondContact O-N 3.43Å; H322-V324 PolarHBondContact O-N 2.84Å; V324-L399 HydrophobicContact CG2-CB 4.26Å; V324-L399 CarbonylContact O-C 3.6Å; V324-L399 VanDerWaalsContact O-CA 3.31Å; V324-L399 WeakPolarHBondContact O-CA 3.49Å; V324-T400 WeakPolarHBondContact CB-O 3.42Å; V324-T400 PolarHBondContact O-N 3.42Å; V324-V402 HydrophobicContact CB-CG2 4.41Å; V324-V402 HydrophobicContact CG1-CB 4.38Å; V324-V402 HydrophobicContact CG1-CG2 3.44Å; V324-V402 VanDerWaalsContact CG1-CG2 3.44Å; V324-I406 HydrophobicContact CB-CG2 4.33Å; V324-I406 HydrophobicContact CG1-CG2 4.25Å; V324-I406 HydrophobicContact CG2-CD1 4.4Å; V324-I406 HydrophobicContact CG2-CG2 3.72Å |
| 325 | F | 97.3 | Very high | 96.2 | Very high | 18 Ų | 18 | 40.2 Ų | 40.2 | 8% | 0.079 | 22% | 0.218 | C | C | . | . | B | Isolated β-bridge | trans | -68.1 | 139.1 | 176.4 | -69.9 | -88.4 | 0 | 0 | 0 | 109.5 | L287 K289 Y294 I321 V329 C332 L334 V398 L399 | L287-F325 HydrophobicContact CD2-CZ 4.17Å; K289-F325 HydrophobicContact CD-CD1 4.04Å; K289-F325 HydrophobicContact CD-CD2 4.04Å; K289-F325 HydrophobicContact CD-CE1 4.04Å; K289-F325 HydrophobicContact CD-CE2 4.06Å; K289-F325 HydrophobicContact CD-CG 4.03Å; K289-F325 HydrophobicContact CD-CZ 4.05Å; Y294-F325 HydrophobicContact CE1-CE2 4.04Å; Y294-F325 HydrophobicContact CE1-CZ 4.47Å; I321-F325 HydrophobicContact CD1-CE2 4.47Å; I321-F325 WeakPolarHBondContact O-CD2 3.46Å; F325-V329 HydrophobicContact CD1-CG1 4.11Å; F325-C332 HydrophobicContact CE1-CB 4.41Å; F325-L334 HydrophobicContact CE1-CD1 3.96Å; F325-L334 HydrophobicContact CZ-CD1 4.12Å; F325-V398 HydrophobicContact CD1-CG1 4.02Å; F325-V398 HydrophobicContact CE1-CG1 4.19Å; F325-L399 HydrophobicContact CD1-CB 4.5Å |
| 326 | K | 96.5 | Very high | 96.5 | Very high | 77 Ų | 77 | 38.9 Ų | 38.9 | 34% | 0.335 | 21% | 0.205 | S | C | . | . | trans | -64.8 | 150.6 | 177.2 | -63.1 | -57.4 | -169 | -178.5 | 0 | 110.1 | H328 V329 T397 V398 T400 | K326-H328 VanDerWaalsContact CB-CE1 3.46Å; K326-H328 WeakPolarHBondContact CB-CE1 2.86Å; K326-H328 PolarHBondContact O-N 2.53Å; K326-V329 HydrophobicContact CB-CG2 4.32Å; K326-V329 WeakPolarHBondContact O-CB 3.32Å; K326-V329 PolarHBondContact O-N 2.51Å; K326-T397 WeakPolarHBondContact CG-O 3.42Å; K326-V398 PolarHBondContact N-O 2.79Å; K326-T400 WeakPolarHBondContact CE-OG1 3.43Å; K326-T400 PolarHBondContact NZ-OG1 3.07Å | ||
| 327 | P | 94.2 | Very high | 96.8 | Very high | 134 Ų | 134 | 39.8 Ų | 39.8 | 87% | 0.87 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -27.2 | -174.9 | -28.6 | 35.3 | 0 | 0 | 0 | 115.7 | V329 | P327-V329 VanDerWaalsContact C-N 3.3Å; P327-V329 PolarHBondContact O-N 3.18Å |
| 328 | H | 94.6 | Very high | 96.8 | Very high | 103 Ų | 103 | 39.8 Ų | 39.8 | 48% | 0.477 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -7.2 | 179.5 | 69.6 | -86.8 | 0 | 0 | 0 | 113.8 | K326 V330 N379 T397 | K326-H328 VanDerWaalsContact CB-CE1 3.46Å; K326-H328 WeakPolarHBondContact CB-CE1 2.86Å; K326-H328 PolarHBondContact O-N 2.53Å; H328-V330 PolarHBondContact O-N 2.93Å; H328-N379 PolarHBondContact O-ND2 2.88Å; H328-T397 PolarHBondContact CE1-O 2.84Å |
| 329 | V | 97.1 | Very high | 96.5 | Very high | 6 Ų | 6 | 40 Ų | 40 | 4% | 0.036 | 21% | 0.21 | C | C | . | . | trans | -95.5 | 94.8 | -176.1 | -177.6 | 0 | 0 | 0 | 0 | 110.2 | K289 F325 K326 P327 C332 V378 V398 | K289-V329 PolarHBondContact NZ-O 2.92Å; F325-V329 HydrophobicContact CD1-CG1 4.11Å; K326-V329 HydrophobicContact CB-CG2 4.32Å; K326-V329 WeakPolarHBondContact O-CB 3.32Å; K326-V329 PolarHBondContact O-N 2.51Å; P327-V329 VanDerWaalsContact C-N 3.3Å; P327-V329 PolarHBondContact O-N 3.18Å; V329-C332 HydrophobicContact CG1-CB 3.84Å; V329-V378 HydrophobicContact CG1-CG1 4.42Å; V329-V378 HydrophobicContact CG2-CG1 4.31Å; V329-V398 HydrophobicContact CG1-CG1 4.23Å; V329-V398 HydrophobicContact CG2-CG1 4.41Å | ||
| 330 | V | 97 | Very high | 96.2 | Very high | 74 Ų | 74 | 38 Ų | 38 | 45% | 0.448 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -86.2 | -56.7 | 176.2 | -177.2 | 0 | 0 | 0 | 0 | 109.9 | K289 G291 H328 N379 | K289-V330 PolarHBondContact NZ-O 2.72Å; G291-V330 PolarHBondContact N-O 3.39Å; H328-V330 PolarHBondContact O-N 2.93Å; V330-N379 PolarHBondContact N-OD1 3.4Å |
| 331 | K | 98.3 | Very high | 95.9 | Very high | 64 Ų | 64 | 34.8 Ų | 34.8 | 28% | 0.278 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 137.3 | 178.5 | -53.3 | 167.9 | -171.4 | 163.9 | 0 | 110.5 | L248 K289 D290 L377 V378 N379 D380 | L248-K331 HydrophobicContact CD2-CB 4.05Å; L248-K331 HydrophobicContact CD2-CD 4.04Å; L248-K331 HydrophobicContact CD2-CG 3.95Å; K289-K331 CarbonylContact O-C 3.49Å; K289-K331 VanDerWaalsContact O-CA 3.23Å; K289-K331 WeakPolarHBondContact O-CA 3.47Å; D290-K331 WeakPolarHBondContact OD1-CG 3.3Å; K331-L377 HydrophobicContact CB-CD2 3.77Å; K331-V378 CarbonylContact O-C 3.37Å; K331-V378 WeakPolarHBondContact O-CA 3.41Å; K331-N379 PolarHBondContact N-OD1 3.29Å; K331-N379 PolarHBondContact O-N 3.07Å; K331-D380 IonicContact NZ-OD1 2.68Å; K331-D380 PolarHBondContact NZ-OD1 3.08Å |
| 332 | C | 98.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 145.3 | 176.7 | -168.5 | 0 | 0 | 0 | 0 | 112.5 | H288 K289 F325 V329 L334 L377 | H288-C332 CarbonylContact C-O 3.54Å; H288-C332 WeakPolarHBondContact CA-O 3.45Å; K289-C332 HydrophobicContact CB-CB 4.35Å; K289-C332 PolarHBondContact N-O 3.13Å; K289-C332 PolarHBondContact O-N 3.24Å; F325-C332 HydrophobicContact CE1-CB 4.41Å; V329-C332 HydrophobicContact CG1-CB 3.84Å; C332-L334 WeakPolarHBondContact SG-CD2 3.45Å; C332-L377 CarbonylContact C-O 3.54Å; C332-L377 VanDerWaalsContact CA-O 3.25Å; C332-L377 WeakPolarHBondContact CA-O 3.42Å |
| 333 | I | 98.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 118.6 | 165.8 | -59.6 | 173.5 | 0 | 0 | 0 | 108.6 | I246 L248 F252 L287 V375 L376 L377 | I246-I333 HydrophobicContact CG2-CD1 3.89Å; L248-I333 HydrophobicContact CD1-CD1 4.31Å; L248-I333 HydrophobicContact CD1-CG1 3.87Å; F252-I333 HydrophobicContact CE1-CG2 3.75Å; F252-I333 HydrophobicContact CZ-CG2 4.31Å; L287-I333 CarbonylContact O-C 3.59Å; L287-I333 VanDerWaalsContact O-CA 3.32Å; L287-I333 WeakPolarHBondContact O-CA 3.22Å; I333-V375 WeakPolarHBondContact O-CA 3.5Å; I333-L376 HydrophobicContact CB-CB 4.23Å; I333-L376 HydrophobicContact CG2-CB 4.02Å; I333-L376 HydrophobicContact CG2-CD1 4.43Å; I333-L376 PolarHBondContact O-N 2.93Å; I333-L377 HydrophobicContact CB-CB 3.95Å; I333-L377 HydrophobicContact CD1-CB 3.74Å; I333-L377 HydrophobicContact CD1-CD1 4.05Å; I333-L377 HydrophobicContact CD1-CG 4.4Å; I333-L377 HydrophobicContact CG1-CB 3.79Å; I333-L377 HydrophobicContact CG1-CD2 4.44Å; I333-L377 PolarHBondContact N-O 3.06Å |
| 334 | L | 98.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 143.1 | 177.7 | -60 | -179.1 | 0 | 0 | 0 | 110.6 | Q286 L287 F325 C332 F370 V372 V375 L395 V398 L399 | Q286-L334 CarbonylContact C-O 3.51Å; Q286-L334 VanDerWaalsContact CA-O 3.28Å; Q286-L334 WeakPolarHBondContact CA-O 3.46Å; L287-L334 HydrophobicContact CB-CB 4.33Å; L287-L334 HydrophobicContact CD2-CD1 4.43Å; L287-L334 PolarHBondContact N-O 3.02Å; L287-L334 PolarHBondContact O-N 3.02Å; F325-L334 HydrophobicContact CE1-CD1 3.96Å; F325-L334 HydrophobicContact CZ-CD1 4.12Å; C332-L334 WeakPolarHBondContact SG-CD2 3.45Å; L334-F370 HydrophobicContact CB-CE1 4.07Å; L334-F370 HydrophobicContact CB-CZ 4.49Å; L334-F370 HydrophobicContact CD1-CE1 4.44Å; L334-V372 HydrophobicContact CB-CG1 3.94Å; L334-V372 HydrophobicContact CD1-CG1 4.26Å; L334-V372 HydrophobicContact CD1-CG2 4.14Å; L334-V372 HydrophobicContact CD2-CG1 4.07Å; L334-V372 HydrophobicContact CG-CG1 4.31Å; L334-V375 HydrophobicContact CD2-CB 4.02Å; L334-V375 HydrophobicContact CD2-CG2 3.95Å; L334-L395 HydrophobicContact CD2-CD1 3.87Å; L334-V398 HydrophobicContact CD2-CG1 4.37Å; L334-L399 HydrophobicContact CD1-CD2 3.87Å |
| 335 | D | 98.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 125.2 | 171.4 | -167.4 | 7.1 | 0 | 0 | 0 | 108.6 | R284 F373 D374 Y444 | R284-D335 IonicContact CZ-OD1 3.94Å; R284-D335 VanDerWaalsContact CZ-OD1 3.32Å; R284-D335 IonicContact CZ-OD2 3.2Å; R284-D335 IonicContact NE-OD1 3.43Å; R284-D335 PolarHBondContact NE-OD1 3.34Å; R284-D335 IonicContact NE-OD2 3.12Å; R284-D335 IonicContact NH2-OD1 2.95Å; R284-D335 PolarHBondContact NH2-OD1 2.99Å; R284-D335 IonicContact NH2-OD2 3.77Å; R284-D335 PolarHBondContact NH2-OD2 3.36Å; D335-F373 HydrophobicContact CB-CE2 3.83Å; D335-F373 HydrophobicContact CB-CZ 4.2Å; D335-F373 WeakPolarHBondContact O-CE2 3.28Å; D335-F373 VanDerWaalsContact O-CZ 3.24Å; D335-F373 WeakPolarHBondContact O-CZ 3.26Å; D335-F373 PolarHBondContact O-N 3.18Å; D335-D374 HydrophobicContact CB-CB 4.15Å; D335-D374 PolarHBondContact N-O 3.19Å; D335-D374 PolarHBondContact O-N 3.17Å; D335-Y444 WeakPolarHBondContact OD2-CE2 3.35Å; D335-Y444 PolarHBondContact OD2-OH 3.46Å |
| 336 | G | 98 | Very high | 92.6 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 174 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | R284 I285 F370 C371 | R284-G336 WeakPolarHBondContact CD-O 3.29Å; I285-G336 PolarHBondContact N-O 3.09Å; I285-G336 PolarHBondContact O-N 2.87Å; G336-F370 VanDerWaalsContact C-CE2 3.48Å; G336-C371 CarbonylContact C-O 3.55Å; G336-C371 WeakPolarHBondContact CA-O 3.27Å |
| 337 | E | 97.1 | Very high | 91.8 | Very high | 28 Ų | 28 | 41.3 Ų | 41.3 | 13% | 0.131 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 124.2 | 172.8 | -152.8 | 75.7 | -172.1 | 0 | 0 | 108.5 | L280 G282 E283 R284 M339 C371 F373 | L280-E337 HydrophobicContact CB-CB 4.14Å; L280-E337 HydrophobicContact CB-CG 4.11Å; L280-E337 HydrophobicContact CD1-CB 4.17Å; G282-E337 VanDerWaalsContact C-OE1 3.25Å; E283-E337 WeakPolarHBondContact CA-OE1 3.48Å; E283-E337 PolarHBondContact N-OE1 3.36Å; R284-E337 VanDerWaalsContact CA-OE2 3.29Å; R284-E337 WeakPolarHBondContact CA-OE2 3.31Å; R284-E337 VanDerWaalsContact CD-OE2 3.3Å; R284-E337 WeakPolarHBondContact CD-OE2 3.38Å; R284-E337 PolarHBondContact N-OE1 2.89Å; R284-E337 PolarHBondContact N-OE2 3.46Å; R284-E337 IonicContact NH1-OE2 3.29Å; E337-M339 HydrophobicContact CB-SD 4.5Å; E337-M339 HydrophobicContact CG-SD 4.15Å; E337-C371 PolarHBondContact N-O 3.21Å; E337-C371 WeakPolarHBondContact O-CB 3.23Å; E337-C371 PolarHBondContact O-N 2.74Å; E337-F373 HydrophobicContact CB-CE1 4.37Å |
| 338 | M | 95.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 124.5 | 173.4 | -159.1 | 66.4 | 74.5 | 0 | 0 | 109.6 | G282 E283 I285 F308 L317 I357 T368 F370 | G282-M338 CarbonylContact C-O 3.5Å; G282-M338 VanDerWaalsContact CA-O 3.27Å; G282-M338 WeakPolarHBondContact CA-O 3.09Å; E283-M338 HydrophobicContact CB-CB 4.5Å; E283-M338 PolarHBondContact N-O 2.79Å; E283-M338 WeakPolarHBondContact O-CB 3.17Å; E283-M338 PolarHBondContact O-N 2.84Å; I285-M338 HydrophobicContact CB-CE 4.19Å; I285-M338 HydrophobicContact CG1-CB 3.81Å; I285-M338 HydrophobicContact CG1-CE 4.07Å; I285-M338 HydrophobicContact CG2-CE 3.98Å; F308-M338 HydrophobicContact CD1-CE 4.07Å; F308-M338 HydrophobicContact CD2-CE 4.37Å; F308-M338 HydrophobicContact CE1-CE 3.92Å; F308-M338 HydrophobicContact CE1-CG 3.99Å; F308-M338 HydrophobicContact CE1-SD 4.32Å; F308-M338 HydrophobicContact CE2-CE 4.21Å; F308-M338 HydrophobicContact CG-CE 4.3Å; F308-M338 HydrophobicContact CZ-CE 3.99Å; F308-M338 HydrophobicContact CZ-CG 4.04Å; L317-M338 HydrophobicContact CD2-CE 3.57Å; L317-M338 HydrophobicContact CD2-SD 3.91Å; M338-I357 HydrophobicContact CB-CG2 4.22Å; M338-I357 HydrophobicContact CG-CG2 3.56Å; M338-I357 WeakPolarHBondContact O-CD1 3.49Å; M338-T368 HydrophobicContact CE-CG2 4.31Å; M338-T368 HydrophobicContact CG-CG2 3.69Å; M338-T368 HydrophobicContact SD-CG2 3.23Å; M338-T368 WeakPolarHBondContact SD-CG2 3.44Å; M338-F370 HydrophobicContact CE-CB 4.18Å; M338-F370 HydrophobicContact CE-CD2 3.78Å; M338-F370 HydrophobicContact CE-CE2 4.45Å; M338-F370 HydrophobicContact CE-CG 4.13Å; M338-F370 HydrophobicContact SD-CB 3.8Å; M338-F370 HydrophobicContact SD-CD2 4Å; M338-F370 HydrophobicContact SD-CG 4.27Å |
| 339 | M | 91.4 | Very high | 90.5 | Very high | 6 Ų | 6 | 36.2 Ų | 36.2 | 3% | 0.03 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 149.4 | -177.7 | -57.5 | -58.9 | -68.4 | 0 | 0 | 110.3 | L280 G282 E337 F348 C369 C371 | L280-M339 HydrophobicContact CB-CE 4.34Å; L280-M339 HydrophobicContact CB-SD 3.86Å; G282-M339 WeakPolarHBondContact CA-SD 3.41Å; E337-M339 HydrophobicContact CB-SD 4.5Å; E337-M339 HydrophobicContact CG-SD 4.15Å; M339-F348 HydrophobicContact CB-CD1 3.55Å; M339-F348 HydrophobicContact CB-CE1 3.86Å; M339-F348 HydrophobicContact CB-CG 4.28Å; M339-F348 HydrophobicContact CE-CB 3.94Å; M339-F348 HydrophobicContact CE-CG 4.23Å; M339-F348 HydrophobicContact CG-CD1 4.13Å; M339-F348 HydrophobicContact CG-CE1 4.32Å; M339-C369 HydrophobicContact CB-CB 4.5Å; M339-C369 PolarHBondContact N-O 2.91Å; M339-C369 PolarHBondContact O-N 2.92Å; M339-C371 HydrophobicContact CG-CB 4.37Å |
| 340 | A | 89 | Confident | 89.3 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 130.6 | 160.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | F348 M349 F355 I357 L360 L366 | A340-F348 WeakPolarHBondContact O-CA 3.24Å; A340-M349 HydrophobicContact CB-CB 4.11Å; A340-M349 PolarHBondContact O-N 3.02Å; A340-F355 HydrophobicContact CB-CD2 3.8Å; A340-F355 HydrophobicContact CB-CE1 4.28Å; A340-F355 HydrophobicContact CB-CE2 3.14Å; A340-F355 HydrophobicContact CB-CZ 3.45Å; A340-F355 VanDerWaalsContact CB-CZ 3.45Å; A340-I357 HydrophobicContact CB-CD1 4.44Å; A340-I357 HydrophobicContact CB-CG1 4.09Å; A340-L360 HydrophobicContact CB-CD1 4.12Å; A340-L366 HydrophobicContact CB-CD1 4.34Å |
| 341 | Y | 88.1 | Confident | 87.9 | Confident | 19 Ų | 19 | 39.1 Ų | 39.1 | 8% | 0.075 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 133.1 | -178.7 | 175.3 | -93.5 | 0 | 0 | 0 | 109.5 | P343 D346 F348 L366 Q367 K403 G404 | Y341-P343 HydrophobicContact CD1-CG 4.17Å; Y341-P343 HydrophobicContact CE1-CB 4.19Å; Y341-P343 HydrophobicContact CE1-CG 4.18Å; Y341-P343 WeakPolarHBondContact O-CD 3.46Å; Y341-D346 PolarHBondContact OH-OD1 2.92Å; Y341-F348 AromaticContact CD2-CD1 3.9Å; Y341-F348 HydrophobicContact CD2-CD1 3.9Å; Y341-F348 AromaticContact CD2-CE1 3.72Å; Y341-F348 HydrophobicContact CD2-CE1 3.72Å; Y341-F348 HydrophobicContact CD2-CZ 4.38Å; Y341-F348 HydrophobicContact CG-CD1 4.48Å; Y341-F348 HydrophobicContact CG-CE1 4.34Å; Y341-L366 WeakPolarHBondContact O-CA 3.46Å; Y341-Q367 HydrophobicContact CD1-CG 3.79Å; Y341-Q367 PolarHBondContact N-O 3.09Å; Y341-Q367 PolarHBondContact O-N 3.44Å; Y341-K403 WeakPolarHBondContact OH-CE 3.32Å; Y341-G404 VanDerWaalsContact CD1-CA 3.42Å; Y341-G404 VanDerWaalsContact CE1-CA 3.5Å |
| 342 | N | 84.6 | Confident | 85.9 | Confident | 20 Ų | 20 | 37.3 Ų | 37.3 | 11% | 0.107 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 111.6 | 174.6 | -174.8 | -32.3 | 0 | 0 | 0 | 109.2 | T344 T345 D346 T347 M349 L366 | N342-T344 VanDerWaalsContact C-N 3.29Å; N342-T344 PolarHBondContact O-N 2.85Å; N342-T344 WeakPolarHBondContact OD1-CA 3.44Å; N342-T344 VanDerWaalsContact OD1-CB 3.27Å; N342-T344 WeakPolarHBondContact OD1-CB 3.47Å; N342-T344 PolarHBondContact OD1-N 3.24Å; N342-T345 VanDerWaalsContact CB-OG1 3.3Å; N342-T345 WeakPolarHBondContact CB-OG1 3.44Å; N342-T345 PolarHBondContact ND2-OG1 3.21Å; N342-T345 PolarHBondContact OD1-N 3.35Å; N342-D346 WeakPolarHBondContact O-CA 3.44Å; N342-D346 PolarHBondContact O-N 3.26Å; N342-T347 PolarHBondContact N-O 3.42Å; N342-T347 PolarHBondContact O-N 2.84Å; N342-M349 HydrophobicContact CB-CG 4.16Å; N342-M349 HydrophobicContact CB-SD 4.11Å; N342-L366 HydrophobicContact CB-CD2 3.63Å |
| 343 | P | 86 | Confident | 84.1 | Confident | 62 Ų | 62 | 39.6 Ų | 39.6 | 40% | 0.403 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -27.3 | 179.5 | -20.4 | 34.2 | 0 | 0 | 0 | 114.1 | Y341 E365 Q367 | Y341-P343 HydrophobicContact CD1-CG 4.17Å; Y341-P343 HydrophobicContact CE1-CB 4.19Å; Y341-P343 HydrophobicContact CE1-CG 4.18Å; Y341-P343 WeakPolarHBondContact O-CD 3.46Å; P343-E365 VanDerWaalsContact CD-O 3.24Å; P343-E365 WeakPolarHBondContact CD-O 3.19Å; P343-Q367 HydrophobicContact CG-CG 4Å |
| 344 | T | 82.8 | Confident | 82.4 | Confident | 127 Ų | 127 | 47.4 Ų | 47.4 | 78% | 0.779 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -43.1 | -177.7 | -54.1 | 0 | 0 | 0 | 0 | 111.6 | N342 | N342-T344 VanDerWaalsContact C-N 3.29Å; N342-T344 PolarHBondContact O-N 2.85Å; N342-T344 WeakPolarHBondContact OD1-CA 3.44Å; N342-T344 VanDerWaalsContact OD1-CB 3.27Å; N342-T344 WeakPolarHBondContact OD1-CB 3.47Å; N342-T344 PolarHBondContact OD1-N 3.24Å |
| 345 | T | 79.2 | Confident | 80.8 | Confident | 78 Ų | 78 | 49.3 Ų | 49.3 | 48% | 0.479 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | -6.5 | -179.5 | 55 | 0 | 0 | 0 | 0 | 113.3 | N342 T347 | N342-T345 VanDerWaalsContact CB-OG1 3.3Å; N342-T345 WeakPolarHBondContact CB-OG1 3.44Å; N342-T345 PolarHBondContact ND2-OG1 3.21Å; N342-T345 PolarHBondContact OD1-N 3.35Å; T345-T347 VanDerWaalsContact C-N 3.31Å; T345-T347 WeakPolarHBondContact O-CG2 3.17Å; T345-T347 PolarHBondContact O-N 3.11Å; T345-T347 PolarHBondContact OG1-OG1 3.32Å |
| 346 | D | 81.4 | Confident | 79.5 | Confident | 80 Ų | 80 | 52.3 Ų | 52.3 | 43% | 0.428 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | 42.3 | -178 | -169.4 | 21.6 | 0 | 0 | 0 | 113 | Y341 N342 K403 | Y341-D346 PolarHBondContact OH-OD1 2.92Å; N342-D346 WeakPolarHBondContact O-CA 3.44Å; N342-D346 PolarHBondContact O-N 3.26Å; D346-K403 VanDerWaalsContact CG-CE 3.44Å; D346-K403 WeakPolarHBondContact OD1-CE 3.42Å; D346-K403 IonicContact OD1-NZ 3.99Å; D346-K403 PolarHBondContact OD1-NZ 3.39Å; D346-K403 WeakPolarHBondContact OD2-CE 3.24Å; D346-K403 IonicContact OD2-NZ 3.02Å; D346-K403 PolarHBondContact OD2-NZ 2.93Å |
| 347 | T | 79.1 | Confident | 78.3 | Confident | 67 Ų | 67 | 52.6 Ų | 52.6 | 41% | 0.411 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 151.5 | -173.7 | 52 | 0 | 0 | 0 | 0 | 112.7 | N342 T345 | N342-T347 PolarHBondContact N-O 3.42Å; N342-T347 PolarHBondContact O-N 2.84Å; T345-T347 VanDerWaalsContact C-N 3.31Å; T345-T347 WeakPolarHBondContact O-CG2 3.17Å; T345-T347 PolarHBondContact O-N 3.11Å; T345-T347 PolarHBondContact OG1-OG1 3.32Å |
| 348 | F | 84 | Confident | 77 | Confident | 78 Ų | 78 | 53 Ų | 53 | 34% | 0.342 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 130.5 | 167.1 | -66.9 | -58 | 0 | 0 | 0 | 110.5 | M339 A340 Y341 C369 C371 | M339-F348 HydrophobicContact CB-CD1 3.55Å; M339-F348 HydrophobicContact CB-CE1 3.86Å; M339-F348 HydrophobicContact CB-CG 4.28Å; M339-F348 HydrophobicContact CE-CB 3.94Å; M339-F348 HydrophobicContact CE-CG 4.23Å; M339-F348 HydrophobicContact CG-CD1 4.13Å; M339-F348 HydrophobicContact CG-CE1 4.32Å; A340-F348 WeakPolarHBondContact O-CA 3.24Å; Y341-F348 AromaticContact CD2-CD1 3.9Å; Y341-F348 HydrophobicContact CD2-CD1 3.9Å; Y341-F348 AromaticContact CD2-CE1 3.72Å; Y341-F348 HydrophobicContact CD2-CE1 3.72Å; Y341-F348 HydrophobicContact CD2-CZ 4.38Å; Y341-F348 HydrophobicContact CG-CD1 4.48Å; Y341-F348 HydrophobicContact CG-CE1 4.34Å; F348-C369 HydrophobicContact CE1-CB 3.83Å; F348-C371 VanDerWaalsContact CZ-SG 3.58Å |
| 349 | M | 78.7 | Confident | 75.8 | Confident | 51 Ų | 51 | 62 Ų | 62 | 25% | 0.251 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 138.6 | 174.3 | -60.4 | -64.4 | -67.4 | 0 | 0 | 110.1 | A340 N342 F355 L366 | A340-M349 HydrophobicContact CB-CB 4.11Å; A340-M349 PolarHBondContact O-N 3.02Å; N342-M349 HydrophobicContact CB-CG 4.16Å; N342-M349 HydrophobicContact CB-SD 4.11Å; M349-F355 HydrophobicContact CB-CE1 3.36Å; M349-F355 HydrophobicContact CB-CZ 3.41Å; M349-F355 VanDerWaalsContact CB-CZ 3.41Å; M349-F355 HydrophobicContact CE-CE1 4.43Å; M349-F355 HydrophobicContact CG-CE1 4.2Å; M349-L366 HydrophobicContact CG-CD1 4.04Å; M349-L366 HydrophobicContact CG-CD2 3.57Å; M349-L366 HydrophobicContact CG-CG 4.46Å; M349-L366 HydrophobicContact SD-CD2 4.34Å |
| 350 | Q | 71.4 | Confident | 74.8 | Confident | 56 Ų | 56 | 62.3 Ų | 62.3 | 26% | 0.262 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -81.7 | 146.4 | -179.5 | -58.3 | -176.1 | -1.1 | 0 | 0 | 111.4 | G352 S353 F355 R431 E569 | Q350-G352 PolarHBondContact O-N 3.49Å; Q350-S353 VanDerWaalsContact O-CB 3.26Å; Q350-S353 WeakPolarHBondContact O-CB 3.42Å; Q350-S353 PolarHBondContact O-N 3.29Å; Q350-S353 PolarHBondContact O-OG 3.22Å; Q350-F355 WeakPolarHBondContact O-CZ 3.35Å; Q350-R431 PolarHBondContact NE2-O 3.44Å; Q350-E569 PolarHBondContact OE1-OE2 2.88Å |
| 351 | K | 67.9 | Low | 73.8 | Confident | 86 Ų | 86 | 67 Ų | 67 | 37% | 0.374 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -21.7 | -177.6 | -175 | 170.6 | -167.9 | 159.4 | 0 | 114.8 | E283 S353 | E283-K351 IonicContact OE1-NZ 3.74Å; E283-K351 PolarHBondContact OE1-NZ 3.47Å; K351-S353 PolarHBondContact O-N 3.18Å |
| 352 | G | 56 | Low | 72.4 | Confident | 26 Ų | 26 | 72.4 Ų | 72.4 | 27% | 0.268 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -8.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q350 | Q350-G352 PolarHBondContact O-N 3.49Š|
| 353 | S | 60.7 | Low | 71.2 | Confident | 47 Ų | 47 | 79.2 Ų | 79.2 | 33% | 0.329 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -79.9 | 164.7 | 179.7 | -54.2 | 0 | 0 | 0 | 0 | 112.3 | Q350 K351 F355 | Q350-S353 VanDerWaalsContact O-CB 3.26Å; Q350-S353 WeakPolarHBondContact O-CB 3.42Å; Q350-S353 PolarHBondContact O-N 3.29Å; Q350-S353 PolarHBondContact O-OG 3.22Å; K351-S353 PolarHBondContact O-N 3.18Å; S353-F355 PolarHBondContact O-N 3.38Å |
| 354 | K | 61.4 | Low | 70.3 | Confident | 164 Ų | 164 | 78.5 Ų | 78.5 | 71% | 0.713 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -72.7 | 51.9 | -177.5 | -65.9 | -171.5 | 171.1 | -166.6 | 0 | 113.9 | E574 | K354-E574 IonicContact NZ-OE1 3.87Å; K354-E574 PolarHBondContact NZ-OE1 3Å |
| 355 | F | 65.3 | Low | 70.2 | Confident | 41 Ų | 41 | 80.1 Ų | 80.1 | 18% | 0.18 | 41% | 0.409 | C | S | . | . | trans | -144.1 | 158 | 171.1 | 65 | -93.4 | 0 | 0 | 0 | 112.1 | A340 M349 Q350 S353 I357 L360 L366 | A340-F355 HydrophobicContact CB-CD2 3.8Å; A340-F355 HydrophobicContact CB-CE1 4.28Å; A340-F355 HydrophobicContact CB-CE2 3.14Å; A340-F355 HydrophobicContact CB-CZ 3.45Å; A340-F355 VanDerWaalsContact CB-CZ 3.45Å; M349-F355 HydrophobicContact CB-CE1 3.36Å; M349-F355 HydrophobicContact CB-CZ 3.41Å; M349-F355 VanDerWaalsContact CB-CZ 3.41Å; M349-F355 HydrophobicContact CE-CE1 4.43Å; M349-F355 HydrophobicContact CG-CE1 4.2Å; Q350-F355 WeakPolarHBondContact O-CZ 3.35Å; S353-F355 PolarHBondContact O-N 3.38Å; F355-I357 HydrophobicContact CD2-CG1 3.99Å; F355-I357 HydrophobicContact CE2-CD1 4.2Å; F355-I357 HydrophobicContact CE2-CG1 3.6Å; F355-L360 HydrophobicContact CB-CD2 4.28Å; F355-L366 HydrophobicContact CB-CD1 4.3Å; F355-L366 HydrophobicContact CD1-CD1 3.53Å; F355-L366 HydrophobicContact CD2-CD1 4.42Å; F355-L366 HydrophobicContact CE1-CD1 3.93Å; F355-L366 HydrophobicContact CG-CD1 3.82Å | ||
| 356 | D | 71.3 | Confident | 70.5 | Confident | 62 Ų | 62 | 77.5 Ų | 77.5 | 33% | 0.332 | 39% | 0.392 | S | S | . | . | trans | -118.7 | 113.4 | 171.7 | -178.7 | -1.2 | 0 | 0 | 0 | 107.9 | K358 R359 L360 | D356-K358 PolarHBondContact O-N 3.35Å; D356-K358 VanDerWaalsContact O-N 3.1Å; D356-K358 WeakPolarHBondContact OD1-CB 3.45Å; D356-K358 PolarHBondContact OD1-N 3.45Å; D356-K358 VanDerWaalsContact OD1-N 3.08Å; D356-R359 HydrophobicContact CB-CB 4.18Å; D356-R359 HydrophobicContact CB-CG 4.28Å; D356-R359 CarbonylContact O-C 3.2Å; D356-R359 WeakPolarHBondContact O-CA 3.41Å; D356-R359 PolarHBondContact O-N 2.99Å; D356-R359 WeakPolarHBondContact OD2-CD 3.28Å; D356-R359 IonicContact OD2-NE 2.71Å; D356-L360 PolarHBondContact O-N 3.45Å | ||
| 357 | I | 73.6 | Confident | 70.9 | Confident | 6 Ų | 6 | 75.6 Ų | 75.6 | 3% | 0.031 | 38% | 0.381 | C | S | . | . | G | 310 helix | trans | -54.2 | -33.4 | -178.6 | -60.3 | 175.8 | 0 | 0 | 0 | 110.6 | E283 M338 A340 F355 R359 | E283-I357 HydrophobicContact CG-CD1 4.46Å; M338-I357 HydrophobicContact CB-CG2 4.22Å; M338-I357 HydrophobicContact CG-CG2 3.56Å; M338-I357 WeakPolarHBondContact O-CD1 3.49Å; A340-I357 HydrophobicContact CB-CD1 4.44Å; A340-I357 HydrophobicContact CB-CG1 4.09Å; F355-I357 HydrophobicContact CD2-CG1 3.99Å; F355-I357 HydrophobicContact CE2-CD1 4.2Å; F355-I357 HydrophobicContact CE2-CG1 3.6Å; I357-R359 PolarHBondContact O-N 2.66Å |
| 358 | K | 68.9 | Low | 71.5 | Confident | 37 Ų | 37 | 72.5 Ų | 72.5 | 16% | 0.161 | 36% | 0.362 | C | S | . | . | G | 310 helix | trans | -75.5 | -1.7 | 179.4 | -59.3 | 169.7 | 167.7 | -148.2 | 0 | 114.1 | E283 Y304 Q307 D356 | E283-K358 VanDerWaalsContact CD-CE 3.47Å; E283-K358 VanDerWaalsContact OE2-CD 3.25Å; E283-K358 WeakPolarHBondContact OE2-CD 3.36Å; E283-K358 WeakPolarHBondContact OE2-CE 3.18Å; E283-K358 WeakPolarHBondContact OE2-CG 3.21Å; E283-K358 IonicContact OE2-NZ 3.79Å; Y304-K358 HydrophobicContact CD1-CB 4.08Å; Y304-K358 HydrophobicContact CD1-CD 4.28Å; Y304-K358 HydrophobicContact CD1-CG 4.11Å; Y304-K358 HydrophobicContact CE1-CB 3.69Å; Y304-K358 HydrophobicContact CE1-CD 3.54Å; Y304-K358 HydrophobicContact CE1-CG 3.79Å; Y304-K358 HydrophobicContact CE2-CD 4.43Å; Y304-K358 VanDerWaalsContact CZ-NZ 3.28Å; Y304-K358 PolarHBondContact OH-NZ 2.7Å; Q307-K358 VanDerWaalsContact CG-O 3.31Å; Q307-K358 WeakPolarHBondContact CG-O 3.39Å; Q307-K358 PolarHBondContact OE1-O 3.07Å; Q307-K358 VanDerWaalsContact OE1-O 3.13Å; D356-K358 PolarHBondContact O-N 3.35Å; D356-K358 VanDerWaalsContact O-N 3.1Å; D356-K358 WeakPolarHBondContact OD1-CB 3.45Å; D356-K358 PolarHBondContact OD1-N 3.45Å; D356-K358 VanDerWaalsContact OD1-N 3.08Å |
| 359 | R | 70.9 | Confident | 72 | Confident | 190 Ų | 190 | 68.8 Ų | 68.8 | 72% | 0.717 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -134.1 | 11.9 | -178.2 | -62.1 | -178.5 | 173.3 | -176.1 | -1.7 | 112.3 | D356 I357 V361 | D356-R359 HydrophobicContact CB-CB 4.18Å; D356-R359 HydrophobicContact CB-CG 4.28Å; D356-R359 CarbonylContact O-C 3.2Å; D356-R359 WeakPolarHBondContact O-CA 3.41Å; D356-R359 PolarHBondContact O-N 2.99Å; D356-R359 WeakPolarHBondContact OD2-CD 3.28Å; D356-R359 IonicContact OD2-NE 2.71Å; I357-R359 PolarHBondContact O-N 2.66Å; R359-V361 PolarHBondContact O-N 2.91Å |
| 360 | L | 71.1 | Confident | 72.9 | Confident | 12 Ų | 12 | 66.4 Ų | 66.4 | 6% | 0.063 | 33% | 0.334 | C | S | . | . | trans | -63.1 | 125.8 | 173.3 | -69.3 | 174.3 | 0 | 0 | 0 | 108.2 | Q307 A340 F355 D356 L366 | Q307-L360 PolarHBondContact NE2-O 3.24Å; A340-L360 HydrophobicContact CB-CD1 4.12Å; F355-L360 HydrophobicContact CB-CD2 4.28Å; D356-L360 PolarHBondContact O-N 3.45Å; L360-L366 HydrophobicContact CD2-CB 4.24Å | ||
| 361 | V | 66.6 | Low | 74.2 | Confident | 97 Ų | 97 | 63.8 Ų | 63.8 | 59% | 0.588 | 32% | 0.321 | S | S | * | . | trans | -106 | 163.6 | 176.8 | -68 | 0 | 0 | 0 | 0 | 109.2 | R359 D363 S364 | R359-V361 PolarHBondContact O-N 2.91Å; V361-D363 PolarHBondContact O-N 3.5Å; V361-D363 VanDerWaalsContact O-N 3.15Å; V361-S364 VanDerWaalsContact O-CB 3.25Å; V361-S364 WeakPolarHBondContact O-CB 3.36Å; V361-S364 PolarHBondContact O-N 3.05Å | ||
| 362 | D | 59.9 | Low | 75.6 | Confident | 133 Ų | 133 | 59.7 Ų | 59.7 | 71% | 0.711 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -26.3 | -173.2 | -63.6 | -31.4 | 0 | 0 | 0 | 114 | S364 | D362-S364 PolarHBondContact O-N 3.39Š|
| 363 | D | 58.8 | Low | 77.6 | Confident | 164 Ų | 164 | 59 Ų | 59 | 88% | 0.877 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | 9.6 | 177 | -66.1 | -27.4 | 0 | 0 | 0 | 114.2 | V361 | V361-D363 PolarHBondContact O-N 3.5Å; V361-D363 VanDerWaalsContact O-N 3.15Å |
| 364 | S | 68.4 | Low | 79.4 | Confident | 47 Ų | 47 | 56.8 Ų | 56.8 | 33% | 0.329 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -82.5 | 140 | 178.6 | -168.6 | 0 | 0 | 0 | 0 | 111.7 | V361 D362 L366 | V361-S364 VanDerWaalsContact O-CB 3.25Å; V361-S364 WeakPolarHBondContact O-CB 3.36Å; V361-S364 PolarHBondContact O-N 3.05Å; D362-S364 PolarHBondContact O-N 3.39Å; S364-L366 WeakPolarHBondContact CB-O 3.16Å; S364-L366 PolarHBondContact O-N 3.37Å; S364-L366 VanDerWaalsContact O-N 3.08Å; S364-L366 PolarHBondContact OG-N 2.95Å; S364-L366 PolarHBondContact OG-O 2.85Å |
| 365 | E | 80.6 | Confident | 81.2 | Confident | 161 Ų | 161 | 49 Ų | 49 | 75% | 0.752 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -61.5 | -12.1 | 166.3 | -62.1 | -178.2 | 170.5 | 0 | 0 | 112.8 | P343 | P343-E365 VanDerWaalsContact CD-O 3.24Å; P343-E365 WeakPolarHBondContact CD-O 3.19Å |
| 366 | L | 85.1 | Confident | 82.7 | Confident | 22 Ų | 22 | 47.1 Ų | 47.1 | 12% | 0.115 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -108.9 | 139.9 | 178.4 | -55.8 | -179.7 | 0 | 0 | 0 | 110.2 | A340 Y341 N342 M349 F355 L360 S364 | A340-L366 HydrophobicContact CB-CD1 4.34Å; Y341-L366 WeakPolarHBondContact O-CA 3.46Å; N342-L366 HydrophobicContact CB-CD2 3.63Å; M349-L366 HydrophobicContact CG-CD1 4.04Å; M349-L366 HydrophobicContact CG-CD2 3.57Å; M349-L366 HydrophobicContact CG-CG 4.46Å; M349-L366 HydrophobicContact SD-CD2 4.34Å; F355-L366 HydrophobicContact CB-CD1 4.3Å; F355-L366 HydrophobicContact CD1-CD1 3.53Å; F355-L366 HydrophobicContact CD2-CD1 4.42Å; F355-L366 HydrophobicContact CE1-CD1 3.93Å; F355-L366 HydrophobicContact CG-CD1 3.82Å; L360-L366 HydrophobicContact CD2-CB 4.24Å; S364-L366 WeakPolarHBondContact CB-O 3.16Å; S364-L366 PolarHBondContact O-N 3.37Å; S364-L366 VanDerWaalsContact O-N 3.08Å; S364-L366 PolarHBondContact OG-N 2.95Å; S364-L366 PolarHBondContact OG-O 2.85Å |
| 367 | Q | 89.5 | Confident | 84 | Confident | 41 Ų | 41 | 44.8 Ų | 44.8 | 19% | 0.192 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 155.1 | 174.4 | 61.5 | -176 | 38.8 | 0 | 0 | 111.6 | Y341 P343 G404 | Y341-Q367 HydrophobicContact CD1-CG 3.79Å; Y341-Q367 PolarHBondContact N-O 3.09Å; Y341-Q367 PolarHBondContact O-N 3.44Å; P343-Q367 HydrophobicContact CG-CG 4Å; Q367-G404 VanDerWaalsContact NE2-C 3.3Å; Q367-G404 PolarHBondContact NE2-O 3Å |
| 368 | T | 92.4 | Very high | 85.2 | Confident | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.012 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 127.9 | 176.2 | -58.4 | 0 | 0 | 0 | 0 | 109.6 | F308 S316 L317 M338 | F308-T368 HydrophobicContact CD1-CG2 4.1Å; F308-T368 HydrophobicContact CE1-CG2 3.92Å; S316-T368 PolarHBondContact OG-OG1 2.93Å; L317-T368 HydrophobicContact CB-CG2 4.18Å; L317-T368 HydrophobicContact CD1-CG2 4.24Å; L317-T368 HydrophobicContact CD2-CG2 4.44Å; M338-T368 HydrophobicContact CE-CG2 4.31Å; M338-T368 HydrophobicContact CG-CG2 3.69Å; M338-T368 HydrophobicContact SD-CG2 3.23Å; M338-T368 WeakPolarHBondContact SD-CG2 3.44Å |
| 369 | C | 94.4 | Very high | 86.5 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 124.7 | 175.2 | -175.8 | 0 | 0 | 0 | 0 | 110.6 | M339 F348 G404 R405 | M339-C369 HydrophobicContact CB-CB 4.5Å; M339-C369 PolarHBondContact N-O 2.91Å; M339-C369 PolarHBondContact O-N 2.92Å; F348-C369 HydrophobicContact CE1-CB 3.83Å; C369-G404 WeakPolarHBondContact CB-O 3.33Å; C369-R405 CarbonylContact C-O 3.38Å; C369-R405 VanDerWaalsContact CA-O 3.31Å; C369-R405 WeakPolarHBondContact CA-O 3.17Å |
| 370 | F | 97.6 | Very high | 87.5 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 112.3 | 178.5 | -171.8 | -139.6 | 0 | 0 | 0 | 111.4 | I285 L287 L317 L334 G336 M338 V372 R405 I406 H407 | I285-F370 HydrophobicContact CB-CE2 3.98Å; I285-F370 HydrophobicContact CG2-CE2 4.17Å; I285-F370 WeakPolarHBondContact O-CE2 3.35Å; I285-F370 WeakPolarHBondContact O-CZ 3.17Å; L287-F370 HydrophobicContact CB-CE1 3.69Å; L287-F370 HydrophobicContact CB-CZ 4.08Å; L287-F370 HydrophobicContact CD1-CD1 4.12Å; L287-F370 HydrophobicContact CD1-CE1 4Å; L287-F370 HydrophobicContact CG-CE1 4.49Å; L317-F370 HydrophobicContact CD1-CB 4.49Å; L317-F370 HydrophobicContact CD2-CB 3.85Å; L317-F370 HydrophobicContact CD2-CG 4.46Å; L334-F370 HydrophobicContact CB-CE1 4.07Å; L334-F370 HydrophobicContact CB-CZ 4.49Å; L334-F370 HydrophobicContact CD1-CE1 4.44Å; G336-F370 VanDerWaalsContact C-CE2 3.48Å; M338-F370 HydrophobicContact CE-CB 4.18Å; M338-F370 HydrophobicContact CE-CD2 3.78Å; M338-F370 HydrophobicContact CE-CE2 4.45Å; M338-F370 HydrophobicContact CE-CG 4.13Å; M338-F370 HydrophobicContact SD-CB 3.8Å; M338-F370 HydrophobicContact SD-CD2 4Å; M338-F370 HydrophobicContact SD-CG 4.27Å; F370-V372 HydrophobicContact CD1-CG2 3.6Å; F370-V372 HydrophobicContact CE1-CG2 3.63Å; F370-V372 HydrophobicContact CG-CG2 4.24Å; F370-V372 HydrophobicContact CZ-CG2 4.3Å; F370-R405 PolarHBondContact N-O 3.24Å; F370-I406 HydrophobicContact CB-CG1 4.44Å; F370-I406 HydrophobicContact CD1-CD1 4.2Å; F370-I406 CarbonylContact O-C 3.6Å; F370-I406 VanDerWaalsContact O-CA 3.27Å; F370-I406 WeakPolarHBondContact O-CA 3.27Å; F370-I406 WeakPolarHBondContact O-CG1 3.16Å; F370-H407 PolarHBondContact O-N 3.32Å |
| 371 | C | 97.6 | Very high | 88.7 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.007 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 101.4 | 179.5 | -62.6 | 0 | 0 | 0 | 0 | 110.2 | L280 G336 E337 M339 F348 H407 V409 | L280-C371 HydrophobicContact CD1-CB 3.28Å; G336-C371 CarbonylContact C-O 3.55Å; G336-C371 WeakPolarHBondContact CA-O 3.27Å; E337-C371 PolarHBondContact N-O 3.21Å; E337-C371 WeakPolarHBondContact O-CB 3.23Å; E337-C371 PolarHBondContact O-N 2.74Å; M339-C371 HydrophobicContact CG-CB 4.37Å; F348-C371 VanDerWaalsContact CZ-SG 3.58Å; C371-H407 CarbonylContact C-O 3.53Å; C371-H407 WeakPolarHBondContact CA-O 3.4Å; C371-V409 HydrophobicContact CB-CG2 4.04Å |
| 372 | V | 98.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 133.5 | -173.2 | -169.9 | 0 | 0 | 0 | 0 | 110.6 | L334 F370 L395 I406 H407 V408 V409 | L334-V372 HydrophobicContact CB-CG1 3.94Å; L334-V372 HydrophobicContact CD1-CG1 4.26Å; L334-V372 HydrophobicContact CD1-CG2 4.14Å; L334-V372 HydrophobicContact CD2-CG1 4.07Å; L334-V372 HydrophobicContact CG-CG1 4.31Å; F370-V372 HydrophobicContact CD1-CG2 3.6Å; F370-V372 HydrophobicContact CE1-CG2 3.63Å; F370-V372 HydrophobicContact CG-CG2 4.24Å; F370-V372 HydrophobicContact CZ-CG2 4.3Å; V372-L395 HydrophobicContact CG1-CD1 3.7Å; V372-L395 HydrophobicContact CG1-CD2 4.04Å; V372-I406 HydrophobicContact CG2-CD1 4.21Å; V372-I406 HydrophobicContact CG2-CG1 4.08Å; V372-H407 PolarHBondContact N-O 3.36Å; V372-V408 CarbonylContact O-C 3.55Å; V372-V408 WeakPolarHBondContact O-CA 3.21Å; V372-V409 PolarHBondContact O-N 3.21Å |
| 373 | F | 97.9 | Very high | 91.9 | Very high | 13 Ų | 13 | 43 Ų | 43 | 6% | 0.057 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | -3.1 | 176.1 | 53.4 | -106.1 | 0 | 0 | 0 | 113.2 | D335 E337 V409 W453 | D335-F373 HydrophobicContact CB-CE2 3.83Å; D335-F373 HydrophobicContact CB-CZ 4.2Å; D335-F373 WeakPolarHBondContact O-CE2 3.28Å; D335-F373 VanDerWaalsContact O-CZ 3.24Å; D335-F373 WeakPolarHBondContact O-CZ 3.26Å; D335-F373 PolarHBondContact O-N 3.18Å; E337-F373 HydrophobicContact CB-CE1 4.37Å; F373-V409 HydrophobicContact CB-CB 3.98Å; F373-V409 HydrophobicContact CB-CG2 3.95Å; F373-V409 HydrophobicContact CD1-CG2 4.31Å; F373-W453 HydrophobicContact CD2-CH2 4.15Å; F373-W453 HydrophobicContact CE2-CH2 4.16Å |
| 374 | D | 98.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 158.2 | 175.2 | -141.9 | -37.3 | 0 | 0 | 0 | 112.2 | D335 R391 W453 | D335-D374 HydrophobicContact CB-CB 4.15Å; D335-D374 PolarHBondContact N-O 3.19Å; D335-D374 PolarHBondContact O-N 3.17Å; D374-R391 WeakPolarHBondContact OD1-CB 3.36Å; D374-R391 WeakPolarHBondContact OD1-CD 3.25Å; D374-R391 IonicContact OD1-CZ 3.85Å; D374-R391 IonicContact OD1-NE 2.65Å; D374-R391 PolarHBondContact OD1-NE 3.48Å; D374-R391 IonicContact OD1-NH2 3.55Å; D374-R391 IonicContact OD2-CZ 2.84Å; D374-R391 IonicContact OD2-NE 3.41Å; D374-R391 PolarHBondContact OD2-NE 2.61Å; D374-R391 IonicContact OD2-NH2 3.9Å; D374-R391 PolarHBondContact OD2-NH2 3.16Å; D374-W453 WeakPolarHBondContact OD2-CZ2 3.4Å |
| 375 | V | 98.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 132.9 | 176.9 | 59.5 | 0 | 0 | 0 | 0 | 109.5 | I333 L334 V378 F383 R391 N394 L395 V398 | I333-V375 WeakPolarHBondContact O-CA 3.5Å; L334-V375 HydrophobicContact CD2-CB 4.02Å; L334-V375 HydrophobicContact CD2-CG2 3.95Å; V375-V378 HydrophobicContact CG2-CG2 3.59Å; V375-F383 WeakPolarHBondContact O-CB 3.15Å; V375-R391 HydrophobicContact CG1-CB 4.3Å; V375-R391 WeakPolarHBondContact CG1-O 3.43Å; V375-N394 HydrophobicContact CG1-CB 4.43Å; V375-L395 HydrophobicContact CB-CB 4.38Å; V375-L395 HydrophobicContact CB-CD1 4.28Å; V375-L395 HydrophobicContact CG1-CB 3.91Å; V375-V398 HydrophobicContact CG2-CG2 4.4Å |
| 376 | L | 98.3 | Very high | 95.7 | Very high | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.01 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | -17.1 | -172.3 | -61.3 | 176.6 | 0 | 0 | 0 | 113.8 | I246 F252 I333 F383 Y444 | I246-L376 HydrophobicContact CD1-CB 4.38Å; I246-L376 HydrophobicContact CD1-CD1 3.52Å; I246-L376 HydrophobicContact CD1-CD2 4.35Å; I246-L376 HydrophobicContact CD1-CG 4.29Å; F252-L376 HydrophobicContact CD2-CD1 4.39Å; F252-L376 HydrophobicContact CE1-CD1 3.82Å; F252-L376 HydrophobicContact CE2-CD1 3.52Å; F252-L376 HydrophobicContact CZ-CD1 3.19Å; I333-L376 HydrophobicContact CB-CB 4.23Å; I333-L376 HydrophobicContact CG2-CB 4.02Å; I333-L376 HydrophobicContact CG2-CD1 4.43Å; I333-L376 PolarHBondContact O-N 2.93Å; L376-F383 PolarHBondContact O-N 3.01Å; L376-Y444 HydrophobicContact CD1-CD1 4.22Å; L376-Y444 HydrophobicContact CD1-CD2 4.47Å; L376-Y444 HydrophobicContact CD1-CE1 3.96Å; L376-Y444 HydrophobicContact CD1-CE2 4.19Å; L376-Y444 HydrophobicContact CD1-CG 4.47Å; L376-Y444 HydrophobicContact CD2-CD1 3.94Å; L376-Y444 HydrophobicContact CD2-CD2 3.56Å; L376-Y444 HydrophobicContact CD2-CE1 4.44Å; L376-Y444 HydrophobicContact CD2-CE2 4.05Å; L376-Y444 HydrophobicContact CD2-CG 3.48Å; L376-Y444 VanDerWaalsContact CD2-CG 3.48Å |
| 377 | L | 98.2 | Very high | 96.4 | Very high | 12 Ų | 12 | 37.6 Ų | 37.6 | 6% | 0.063 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 136.3 | 176.3 | -179.6 | 149.7 | 0 | 0 | 0 | 109.4 | K331 C332 I333 N379 H381 | K331-L377 HydrophobicContact CB-CD2 3.77Å; C332-L377 CarbonylContact C-O 3.54Å; C332-L377 VanDerWaalsContact CA-O 3.25Å; C332-L377 WeakPolarHBondContact CA-O 3.42Å; I333-L377 HydrophobicContact CB-CB 3.95Å; I333-L377 HydrophobicContact CD1-CB 3.74Å; I333-L377 HydrophobicContact CD1-CD1 4.05Å; I333-L377 HydrophobicContact CD1-CG 4.4Å; I333-L377 HydrophobicContact CG1-CB 3.79Å; I333-L377 HydrophobicContact CG1-CD2 4.44Å; I333-L377 PolarHBondContact N-O 3.06Å; L377-N379 VanDerWaalsContact CD2-O 3.25Å; L377-N379 WeakPolarHBondContact CD2-O 3.37Å; L377-H381 WeakPolarHBondContact CA-O 3.34Å |
| 378 | V | 97.9 | Very high | 96.8 | Very high | 15 Ų | 15 | 35.7 Ų | 35.7 | 9% | 0.091 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 118.3 | 167.1 | -175.4 | 0 | 0 | 0 | 0 | 107.4 | V329 K331 V375 D380 H381 F383 V398 | V329-V378 HydrophobicContact CG1-CG1 4.42Å; V329-V378 HydrophobicContact CG2-CG1 4.31Å; K331-V378 CarbonylContact O-C 3.37Å; K331-V378 WeakPolarHBondContact O-CA 3.41Å; V375-V378 HydrophobicContact CG2-CG2 3.59Å; V378-D380 PolarHBondContact O-N 3.25Å; V378-D380 VanDerWaalsContact O-N 3.13Å; V378-H381 PolarHBondContact N-O 2.89Å; V378-H381 PolarHBondContact O-N 2.94Å; V378-F383 HydrophobicContact CB-CE2 3.87Å; V378-F383 HydrophobicContact CG2-CD2 4.37Å; V378-F383 HydrophobicContact CG2-CE2 3.75Å; V378-V398 HydrophobicContact CG2-CG2 3.69Å |
| 379 | N | 96.1 | Very high | 97 | Very high | 43 Ų | 43 | 40.6 Ų | 40.6 | 23% | 0.23 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | -114.6 | -171.1 | -60.9 | -30.1 | 0 | 0 | 0 | 111.1 | H328 V330 K331 L377 | H328-N379 PolarHBondContact O-ND2 2.88Å; V330-N379 PolarHBondContact N-OD1 3.4Å; K331-N379 PolarHBondContact N-OD1 3.29Å; K331-N379 PolarHBondContact O-N 3.07Å; L377-N379 VanDerWaalsContact CD2-O 3.25Å; L377-N379 WeakPolarHBondContact CD2-O 3.37Å |
| 380 | D | 93.1 | Very high | 97.2 | Very high | 127 Ų | 127 | 42.9 Ų | 42.9 | 68% | 0.679 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.2 | 3.6 | -178.2 | -53.9 | -50.6 | 0 | 0 | 0 | 112.9 | K331 V378 | K331-D380 IonicContact NZ-OD1 2.68Å; K331-D380 PolarHBondContact NZ-OD1 3.08Å; V378-D380 PolarHBondContact O-N 3.25Å; V378-D380 VanDerWaalsContact O-N 3.13Å |
| 381 | H | 96.2 | Very high | 97.2 | Very high | 135 Ų | 135 | 42.9 Ų | 42.9 | 63% | 0.625 | 22% | 0.217 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 122.2 | 177 | -63.2 | -82 | 0 | 0 | 0 | 111.5 | L377 V378 F383 | L377-H381 WeakPolarHBondContact CA-O 3.34Å; V378-H381 PolarHBondContact N-O 2.89Å; V378-H381 PolarHBondContact O-N 2.94Å; H381-F383 HydrophobicContact CB-CE2 4.01Å; H381-F383 HydrophobicContact CB-CZ 4.33Å |
| 382 | K | 96.4 | Very high | 97.1 | Very high | 101 Ų | 101 | 43.3 Ų | 43.3 | 44% | 0.439 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 129.9 | 174.5 | -62.7 | 179.2 | -170 | 168.1 | 0 | 110.1 | E243 S245 | E243-K382 IonicContact OE1-NZ 2.64Å; E243-K382 PolarHBondContact OE1-NZ 2.84Å; S245-K382 PolarHBondContact OG-NZ 3.43Å |
| 383 | F | 96.9 | Very high | 97 | Very high | 17 Ų | 17 | 47.1 Ų | 47.1 | 8% | 0.075 | 24% | 0.24 | C | C | . | . | trans | -102.7 | -3.2 | -175.7 | -73.3 | -86.1 | 0 | 0 | 0 | 113.8 | V375 L376 V378 H381 N385 E386 V390 R391 N394 | V375-F383 WeakPolarHBondContact O-CB 3.15Å; L376-F383 PolarHBondContact O-N 3.01Å; V378-F383 HydrophobicContact CB-CE2 3.87Å; V378-F383 HydrophobicContact CG2-CD2 4.37Å; V378-F383 HydrophobicContact CG2-CE2 3.75Å; H381-F383 HydrophobicContact CB-CE2 4.01Å; H381-F383 HydrophobicContact CB-CZ 4.33Å; F383-N385 PolarHBondContact O-N 3.49Å; F383-N385 VanDerWaalsContact O-N 3.13Å; F383-E386 HydrophobicContact CD1-CB 4.28Å; F383-E386 HydrophobicContact CD1-CG 4.04Å; F383-E386 WeakPolarHBondContact O-CB 3.43Å; F383-E386 PolarHBondContact O-N 3.27Å; F383-V390 HydrophobicContact CD1-CG1 4.45Å; F383-V390 HydrophobicContact CE1-CG1 4.4Å; F383-R391 HydrophobicContact CB-CG 4.01Å; F383-R391 HydrophobicContact CD1-CG 4.48Å; F383-R391 WeakPolarHBondContact O-CD 3.14Å; F383-N394 HydrophobicContact CE1-CB 3.87Å; F383-N394 WeakPolarHBondContact CE1-ND2 3.46Å; F383-N394 HydrophobicContact CZ-CB 4.01Å; F383-N394 WeakPolarHBondContact CZ-OD1 3.28Å | ||
| 384 | G | 94.7 | Very high | 96.9 | Very high | 12 Ų | 12 | 49 Ų | 49 | 12% | 0.124 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -36.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y444 | G384-Y444 PolarHBondContact O-N 3.35Š|
| 385 | N | 95.3 | Very high | 96.8 | Very high | 132 Ų | 132 | 49 Ų | 49 | 71% | 0.706 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | -2.1 | 178.8 | -66.6 | -24.4 | 0 | 0 | 0 | 113.8 | F383 V443 | F383-N385 PolarHBondContact O-N 3.49Å; F383-N385 VanDerWaalsContact O-N 3.13Å; N385-V443 VanDerWaalsContact O-CG1 3.28Å; N385-V443 WeakPolarHBondContact O-CG1 3.44Å |
| 386 | E | 97.9 | Very high | 96.6 | Very high | 88 Ų | 88 | 53.7 Ų | 53.7 | 41% | 0.411 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -81.1 | 153.9 | 175.3 | -66.3 | -62.9 | 159.4 | 0 | 0 | 110.8 | F383 V390 R391 | F383-E386 HydrophobicContact CD1-CB 4.28Å; F383-E386 HydrophobicContact CD1-CG 4.04Å; F383-E386 WeakPolarHBondContact O-CB 3.43Å; F383-E386 PolarHBondContact O-N 3.27Å; E386-V390 HydrophobicContact CB-CB 4.27Å; E386-V390 HydrophobicContact CB-CG1 4.04Å; E386-V390 HydrophobicContact CG-CG1 4.25Å; E386-R391 HydrophobicContact CB-CG 4.17Å; E386-R391 PolarHBondContact O-NH1 2.91Å |
| 387 | T | 98.2 | Very high | 96.4 | Very high | 49 Ų | 49 | 57 Ų | 57 | 30% | 0.301 | 29% | 0.292 | S | S | . | . | trans | -64.7 | 148.3 | 176.9 | 66.9 | 0 | 0 | 0 | 0 | 111.6 | K389 V390 R391 | T387-K389 PolarHBondContact O-N 3.32Å; T387-K389 VanDerWaalsContact O-N 3.12Å; T387-V390 WeakPolarHBondContact O-CB 2.99Å; T387-V390 PolarHBondContact O-N 3.35Å; T387-V390 WeakPolarHBondContact OG1-CG2 3.44Å; T387-V390 PolarHBondContact OG1-N 3.01Å; T387-R391 WeakPolarHBondContact O-CG 3.28Å; T387-R391 PolarHBondContact O-N 3.1Å | ||
| 388 | L | 98.1 | Very high | 96.3 | Very high | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -53.6 | -35.1 | 178 | 173.9 | 63.4 | 0 | 0 | 0 | 112.3 | F275 R391 H392 K438 P440 S442 | F275-L388 HydrophobicContact CD2-CD2 3.84Å; F275-L388 HydrophobicContact CD2-CG 4.18Å; F275-L388 HydrophobicContact CE2-CD2 4.35Å; F275-L388 HydrophobicContact CE2-CG 4.24Å; L388-R391 PolarHBondContact O-N 2.86Å; L388-H392 WeakPolarHBondContact O-CB 3.5Å; L388-H392 PolarHBondContact O-N 2.82Å; L388-K438 HydrophobicContact CD2-CB 3.48Å; L388-K438 VanDerWaalsContact CD2-CB 3.48Å; L388-K438 HydrophobicContact CD2-CD 3.76Å; L388-K438 HydrophobicContact CD2-CG 4.28Å; L388-P440 PolarHBondContact N-O 3.17Å; L388-P440 VanDerWaalsContact N-O 3.16Å; L388-S442 PolarHBondContact N-O 3.4Å |
| 389 | K | 97.3 | Very high | 96.2 | Very high | 104 Ų | 104 | 55.9 Ų | 55.9 | 45% | 0.452 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -57.3 | -53.3 | 173.5 | -174.1 | 173.9 | -179.6 | 175.4 | 0 | 111.5 | F275 T387 R391 H392 D393 P440 | F275-K389 HydrophobicContact CZ-CB 4.41Å; F275-K389 HydrophobicContact CZ-CG 4.45Å; T387-K389 PolarHBondContact O-N 3.32Å; T387-K389 VanDerWaalsContact O-N 3.12Å; K389-R391 VanDerWaalsContact C-N 3.34Å; K389-R391 PolarHBondContact O-N 3.12Å; K389-H392 PolarHBondContact O-N 2.85Å; K389-D393 PolarHBondContact O-N 3.09Å; K389-P440 HydrophobicContact CB-CB 4.35Å; K389-P440 PolarHBondContact N-O 3.28Å |
| 390 | V | 98.1 | Very high | 96.2 | Very high | 48 Ų | 48 | 57.1 Ų | 57.1 | 29% | 0.291 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -59.6 | -43.6 | 178 | 171.7 | 0 | 0 | 0 | 0 | 111.3 | F383 E386 T387 D393 N394 | F383-V390 HydrophobicContact CD1-CG1 4.45Å; F383-V390 HydrophobicContact CE1-CG1 4.4Å; E386-V390 HydrophobicContact CB-CB 4.27Å; E386-V390 HydrophobicContact CB-CG1 4.04Å; E386-V390 HydrophobicContact CG-CG1 4.25Å; T387-V390 WeakPolarHBondContact O-CB 2.99Å; T387-V390 PolarHBondContact O-N 3.35Å; T387-V390 WeakPolarHBondContact OG1-CG2 3.44Å; T387-V390 PolarHBondContact OG1-N 3.01Å; V390-D393 PolarHBondContact O-N 3.46Å; V390-N394 WeakPolarHBondContact O-CB 3.39Å; V390-N394 PolarHBondContact O-N 3.24Å; V390-N394 PolarHBondContact O-ND2 2.99Å |
| 391 | R | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.9 | -45.7 | 178.2 | -54.5 | -162.6 | -56.3 | -87.4 | 2.3 | 111.5 | D374 V375 F383 E386 T387 L388 K389 N394 L395 S442 | D374-R391 WeakPolarHBondContact OD1-CB 3.36Å; D374-R391 WeakPolarHBondContact OD1-CD 3.25Å; D374-R391 IonicContact OD1-CZ 3.85Å; D374-R391 IonicContact OD1-NE 2.65Å; D374-R391 PolarHBondContact OD1-NE 3.48Å; D374-R391 IonicContact OD1-NH2 3.55Å; D374-R391 IonicContact OD2-CZ 2.84Å; D374-R391 IonicContact OD2-NE 3.41Å; D374-R391 PolarHBondContact OD2-NE 2.61Å; D374-R391 IonicContact OD2-NH2 3.9Å; D374-R391 PolarHBondContact OD2-NH2 3.16Å; V375-R391 HydrophobicContact CG1-CB 4.3Å; V375-R391 WeakPolarHBondContact CG1-O 3.43Å; F383-R391 HydrophobicContact CB-CG 4.01Å; F383-R391 HydrophobicContact CD1-CG 4.48Å; F383-R391 WeakPolarHBondContact O-CD 3.14Å; E386-R391 HydrophobicContact CB-CG 4.17Å; E386-R391 PolarHBondContact O-NH1 2.91Å; T387-R391 WeakPolarHBondContact O-CG 3.28Å; T387-R391 PolarHBondContact O-N 3.1Å; L388-R391 PolarHBondContact O-N 2.86Å; K389-R391 VanDerWaalsContact C-N 3.34Å; K389-R391 PolarHBondContact O-N 3.12Å; R391-N394 PolarHBondContact O-N 3.28Å; R391-L395 PolarHBondContact O-N 3.16Å; R391-S442 PolarHBondContact NH1-O 3.31Å |
| 392 | H | 95.9 | Very high | 96.1 | Very high | 11 Ų | 11 | 50.2 Ų | 50.2 | 5% | 0.051 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.4 | -41.7 | 179.1 | -172.6 | -73.2 | 0 | 0 | 0 | 112.4 | L388 K389 N394 L395 Q396 K411 | L388-H392 WeakPolarHBondContact O-CB 3.5Å; L388-H392 PolarHBondContact O-N 2.82Å; K389-H392 PolarHBondContact O-N 2.85Å; H392-N394 VanDerWaalsContact C-N 3.28Å; H392-N394 PolarHBondContact O-N 3Å; H392-L395 WeakPolarHBondContact O-CB 3.4Å; H392-L395 PolarHBondContact O-N 3.38Å; H392-Q396 PolarHBondContact CE1-NE2 2.88Å; H392-Q396 PolarHBondContact O-N 3.48Å; H392-K411 WeakPolarHBondContact CE1-CE 3.48Å; H392-K411 WeakPolarHBondContact ND1-CE 3.28Å; H392-K411 PolarHBondContact ND1-NZ 2.6Å; H392-K411 WeakPolarHBondContact NE2-CD 3.5Å |
| 393 | D | 95.8 | Very high | 96 | Very high | 79 Ų | 79 | 51.9 Ų | 51.9 | 42% | 0.422 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.5 | -39 | 178.3 | -64.5 | -12.1 | 0 | 0 | 0 | 110.4 | K389 V390 Q396 K411 | K389-D393 PolarHBondContact O-N 3.09Å; V390-D393 PolarHBondContact O-N 3.46Å; D393-Q396 PolarHBondContact O-N 3.12Å; D393-K411 IonicContact OD1-NZ 2.68Å |
| 394 | N | 96.6 | Very high | 95.6 | Very high | 52 Ų | 52 | 51.2 Ų | 51.2 | 28% | 0.278 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -67.1 | -39.4 | 173 | -82.3 | -90.2 | 0 | 0 | 0 | 112.7 | V375 F383 V390 R391 H392 Q396 T397 V398 | V375-N394 HydrophobicContact CG1-CB 4.43Å; F383-N394 HydrophobicContact CE1-CB 3.87Å; F383-N394 WeakPolarHBondContact CE1-ND2 3.46Å; F383-N394 HydrophobicContact CZ-CB 4.01Å; F383-N394 WeakPolarHBondContact CZ-OD1 3.28Å; V390-N394 WeakPolarHBondContact O-CB 3.39Å; V390-N394 PolarHBondContact O-N 3.24Å; V390-N394 PolarHBondContact O-ND2 2.99Å; R391-N394 PolarHBondContact O-N 3.28Å; H392-N394 VanDerWaalsContact C-N 3.28Å; H392-N394 PolarHBondContact O-N 3Å; N394-Q396 PolarHBondContact O-N 3.17Å; N394-T397 WeakPolarHBondContact O-CA 3.45Å; N394-T397 WeakPolarHBondContact O-CB 3.41Å; N394-T397 PolarHBondContact O-N 3.12Å; N394-T397 PolarHBondContact O-OG1 3.31Å; N394-V398 WeakPolarHBondContact O-CG2 3.46Å; N394-V398 PolarHBondContact O-N 3Å |
| 395 | L | 96.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -55.6 | -35.4 | 178.5 | 177.1 | 60 | 0 | 0 | 0 | 112.3 | L334 V372 V375 R391 H392 T397 V398 V408 | L334-L395 HydrophobicContact CD2-CD1 3.87Å; V372-L395 HydrophobicContact CG1-CD1 3.7Å; V372-L395 HydrophobicContact CG1-CD2 4.04Å; V375-L395 HydrophobicContact CB-CB 4.38Å; V375-L395 HydrophobicContact CB-CD1 4.28Å; V375-L395 HydrophobicContact CG1-CB 3.91Å; R391-L395 PolarHBondContact O-N 3.16Å; H392-L395 WeakPolarHBondContact O-CB 3.4Å; H392-L395 PolarHBondContact O-N 3.38Å; L395-T397 PolarHBondContact O-N 2.88Å; L395-V398 PolarHBondContact O-N 3.42Å; L395-V408 HydrophobicContact CD2-CG1 3.65Å; L395-V408 HydrophobicContact CD2-CG2 4.44Å; L395-V408 HydrophobicContact CG-CG1 4.08Å; L395-V408 HydrophobicContact CG-CG2 4.2Å |
| 396 | Q | 93.4 | Very high | 95.7 | Very high | 100 Ų | 100 | 46.4 Ų | 46.4 | 47% | 0.467 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64.9 | -21.9 | 176.3 | -60.1 | -58.7 | -40.7 | 0 | 0 | 113.4 | H392 D393 N394 | H392-Q396 PolarHBondContact CE1-NE2 2.88Å; H392-Q396 PolarHBondContact O-N 3.48Å; D393-Q396 PolarHBondContact O-N 3.12Å; N394-Q396 PolarHBondContact O-N 3.17Å |
| 397 | T | 94.8 | Very high | 95.5 | Very high | 70 Ų | 70 | 45.7 Ų | 45.7 | 43% | 0.429 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -91.4 | -12.1 | 179.2 | 73 | 0 | 0 | 0 | 0 | 113.2 | K326 H328 N394 L395 | K326-T397 WeakPolarHBondContact CG-O 3.42Å; H328-T397 PolarHBondContact CE1-O 2.84Å; N394-T397 WeakPolarHBondContact O-CA 3.45Å; N394-T397 WeakPolarHBondContact O-CB 3.41Å; N394-T397 PolarHBondContact O-N 3.12Å; N394-T397 PolarHBondContact O-OG1 3.31Å; L395-T397 PolarHBondContact O-N 2.88Å |
| 398 | V | 96 | Very high | 95.4 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -80.4 | -40.4 | -171.2 | 169.6 | 0 | 0 | 0 | 0 | 112.8 | F325 K326 V329 L334 V375 V378 N394 L395 | F325-V398 HydrophobicContact CD1-CG1 4.02Å; F325-V398 HydrophobicContact CE1-CG1 4.19Å; K326-V398 PolarHBondContact N-O 2.79Å; V329-V398 HydrophobicContact CG1-CG1 4.23Å; V329-V398 HydrophobicContact CG2-CG1 4.41Å; L334-V398 HydrophobicContact CD2-CG1 4.37Å; V375-V398 HydrophobicContact CG2-CG2 4.4Å; V378-V398 HydrophobicContact CG2-CG2 3.69Å; N394-V398 WeakPolarHBondContact O-CG2 3.46Å; N394-V398 PolarHBondContact O-N 3Å; L395-V398 PolarHBondContact O-N 3.42Å |
| 399 | L | 95.4 | Very high | 95.3 | Very high | 5 Ų | 5 | 44 Ų | 44 | 3% | 0.026 | 23% | 0.228 | C | C | . | . | B | Isolated β-bridge | trans | -146.8 | 161.1 | -171.5 | 63.4 | 85.7 | 0 | 0 | 0 | 112.5 | V324 F325 L334 P401 I406 V408 | V324-L399 HydrophobicContact CG2-CB 4.26Å; V324-L399 CarbonylContact O-C 3.6Å; V324-L399 VanDerWaalsContact O-CA 3.31Å; V324-L399 WeakPolarHBondContact O-CA 3.49Å; F325-L399 HydrophobicContact CD1-CB 4.5Å; L334-L399 HydrophobicContact CD1-CD2 3.87Å; L399-P401 HydrophobicContact CD1-CG 4.08Å; L399-I406 HydrophobicContact CD2-CD1 3.73Å; L399-I406 HydrophobicContact CD2-CG1 4.3Å; L399-V408 HydrophobicContact CD1-CG2 4.03Å |
| 400 | T | 95.3 | Very high | 95.1 | Very high | 69 Ų | 69 | 43.1 Ų | 43.1 | 42% | 0.423 | 23% | 0.233 | S | C | . | . | trans | -103 | 113.3 | 170.6 | -44.5 | 0 | 0 | 0 | 0 | 108.1 | V324 K326 | V324-T400 WeakPolarHBondContact CB-O 3.42Å; V324-T400 PolarHBondContact O-N 3.42Å; K326-T400 WeakPolarHBondContact CE-OG1 3.43Å; K326-T400 PolarHBondContact NZ-OG1 3.07Å | ||
| 401 | P | 94.6 | Very high | 94.9 | Very high | 60 Ų | 60 | 43.2 Ų | 43.2 | 39% | 0.39 | 23% | 0.23 | S | C | . | . | trans | -56.4 | 141.6 | -177.6 | -27.5 | 36 | 0 | 0 | 0 | 112.9 | L399 I406 V408 | L399-P401 HydrophobicContact CD1-CG 4.08Å; P401-I406 CarbonylContact C-O 3.51Å; P401-I406 WeakPolarHBondContact CA-O 3.39Å; P401-V408 HydrophobicContact CG-CG2 4.27Å | ||
| 402 | V | 94.1 | Very high | 94.9 | Very high | 57 Ų | 57 | 47.8 Ų | 47.8 | 35% | 0.345 | 26% | 0.257 | S | S | . | . | B | Isolated β-bridge | trans | -121.8 | 118.8 | 173.8 | 176.2 | 0 | 0 | 0 | 0 | 108.4 | V324 G404 R405 I406 | V324-V402 HydrophobicContact CB-CG2 4.41Å; V324-V402 HydrophobicContact CG1-CB 4.38Å; V324-V402 HydrophobicContact CG1-CG2 3.44Å; V324-V402 VanDerWaalsContact CG1-CG2 3.44Å; V402-G404 PolarHBondContact O-N 3.46Å; V402-R405 HydrophobicContact CB-CB 4.29Å; V402-R405 HydrophobicContact CG1-CB 4.09Å; V402-R405 HydrophobicContact CG1-CG 4.25Å; V402-R405 PolarHBondContact O-N 3.24Å; V402-I406 CarbonylContact C-O 3.51Å; V402-I406 HydrophobicContact CB-CG2 4.32Å; V402-I406 PolarHBondContact N-O 3.5Å; V402-I406 PolarHBondContact O-N 2.65Å |
| 403 | K | 92.3 | Very high | 94.9 | Very high | 135 Ų | 135 | 52.5 Ų | 52.5 | 59% | 0.587 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | 128 | -178.2 | -169.6 | 176.8 | -178.2 | -176.7 | 0 | 111.1 | Y341 D346 R405 | Y341-K403 WeakPolarHBondContact OH-CE 3.32Å; D346-K403 VanDerWaalsContact CG-CE 3.44Å; D346-K403 WeakPolarHBondContact OD1-CE 3.42Å; D346-K403 IonicContact OD1-NZ 3.99Å; D346-K403 PolarHBondContact OD1-NZ 3.39Å; D346-K403 WeakPolarHBondContact OD2-CE 3.24Å; D346-K403 IonicContact OD2-NZ 3.02Å; D346-K403 PolarHBondContact OD2-NZ 2.93Å; K403-R405 PolarHBondContact O-N 3.27Å |
| 404 | G | 90.2 | Very high | 94.9 | Very high | 4 Ų | 4 | 48.9 Ų | 48.9 | 4% | 0.041 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72.5 | 1.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | Y341 Q367 C369 V402 | Y341-G404 VanDerWaalsContact CD1-CA 3.42Å; Y341-G404 VanDerWaalsContact CE1-CA 3.5Å; Q367-G404 VanDerWaalsContact NE2-C 3.3Å; Q367-G404 PolarHBondContact NE2-O 3Å; C369-G404 WeakPolarHBondContact CB-O 3.33Å; V402-G404 PolarHBondContact O-N 3.46Å |
| 405 | R | 94.6 | Very high | 94.9 | Very high | 42 Ų | 42 | 52.7 Ų | 52.7 | 16% | 0.158 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.8 | -48.9 | 177.5 | -66.6 | -63.7 | -173.9 | 164.4 | 0.8 | 112.8 | S316 L317 F320 I321 C369 F370 V402 K403 | S316-R405 PolarHBondContact O-NH1 2.92Å; L317-R405 WeakPolarHBondContact CD1-O 3.4Å; F320-R405 HydrophobicContact CB-CG 4.1Å; F320-R405 VanDerWaalsContact CE2-NH1 3.27Å; F320-R405 VanDerWaalsContact CG-CZ 3.43Å; I321-R405 HydrophobicContact CG2-CB 4.29Å; C369-R405 CarbonylContact C-O 3.38Å; C369-R405 VanDerWaalsContact CA-O 3.31Å; C369-R405 WeakPolarHBondContact CA-O 3.17Å; F370-R405 PolarHBondContact N-O 3.24Å; V402-R405 HydrophobicContact CB-CB 4.29Å; V402-R405 HydrophobicContact CG1-CB 4.09Å; V402-R405 HydrophobicContact CG1-CG 4.25Å; V402-R405 PolarHBondContact O-N 3.24Å; K403-R405 PolarHBondContact O-N 3.27Å |
| 406 | I | 96.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 128.7 | 175.7 | -171.1 | 163.2 | 0 | 0 | 0 | 110.4 | I321 V324 F370 V372 L399 P401 V402 | I321-I406 HydrophobicContact CB-CD1 4.47Å; I321-I406 HydrophobicContact CB-CG2 4.44Å; I321-I406 HydrophobicContact CD1-CD1 4.27Å; I321-I406 HydrophobicContact CG2-CB 3.87Å; I321-I406 HydrophobicContact CG2-CD1 4.47Å; I321-I406 HydrophobicContact CG2-CG2 3.94Å; V324-I406 HydrophobicContact CB-CG2 4.33Å; V324-I406 HydrophobicContact CG1-CG2 4.25Å; V324-I406 HydrophobicContact CG2-CD1 4.4Å; V324-I406 HydrophobicContact CG2-CG2 3.72Å; F370-I406 HydrophobicContact CB-CG1 4.44Å; F370-I406 HydrophobicContact CD1-CD1 4.2Å; F370-I406 CarbonylContact O-C 3.6Å; F370-I406 VanDerWaalsContact O-CA 3.27Å; F370-I406 WeakPolarHBondContact O-CA 3.27Å; F370-I406 WeakPolarHBondContact O-CG1 3.16Å; V372-I406 HydrophobicContact CG2-CD1 4.21Å; V372-I406 HydrophobicContact CG2-CG1 4.08Å; L399-I406 HydrophobicContact CD2-CD1 3.73Å; L399-I406 HydrophobicContact CD2-CG1 4.3Å; P401-I406 CarbonylContact C-O 3.51Å; P401-I406 WeakPolarHBondContact CA-O 3.39Å; V402-I406 CarbonylContact C-O 3.51Å; V402-I406 HydrophobicContact CB-CG2 4.32Å; V402-I406 PolarHBondContact N-O 3.5Å; V402-I406 PolarHBondContact O-N 2.65Å |
| 407 | H | 93.3 | Very high | 94.7 | Very high | 73 Ų | 73 | 52.5 Ų | 52.5 | 34% | 0.338 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 148.2 | -176.4 | -159 | 71.2 | 0 | 0 | 0 | 110.3 | F370 C371 V372 | F370-H407 PolarHBondContact O-N 3.32Å; C371-H407 CarbonylContact C-O 3.53Å; C371-H407 WeakPolarHBondContact CA-O 3.4Å; V372-H407 PolarHBondContact N-O 3.36Å |
| 408 | V | 96.4 | Very high | 94.6 | Very high | 10 Ų | 10 | 53.2 Ų | 53.2 | 6% | 0.061 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 124.5 | 166.3 | 179.5 | 0 | 0 | 0 | 0 | 107.4 | V372 L395 L399 P401 P410 | V372-V408 CarbonylContact O-C 3.55Å; V372-V408 WeakPolarHBondContact O-CA 3.21Å; L395-V408 HydrophobicContact CD2-CG1 3.65Å; L395-V408 HydrophobicContact CD2-CG2 4.44Å; L395-V408 HydrophobicContact CG-CG1 4.08Å; L395-V408 HydrophobicContact CG-CG2 4.2Å; L399-V408 HydrophobicContact CD1-CG2 4.03Å; P401-V408 HydrophobicContact CG-CG2 4.27Å; V408-P410 WeakPolarHBondContact O-CD 3.37Å |
| 409 | V | 96.3 | Very high | 94.6 | Very high | 5 Ų | 5 | 56.7 Ų | 56.7 | 3% | 0.03 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -60.5 | 123.4 | -178.4 | -179.5 | 0 | 0 | 0 | 0 | 109 | E277 L280 C371 V372 F373 | E277-V409 HydrophobicContact CB-CG1 4.07Å; E277-V409 HydrophobicContact CG-CG1 4.37Å; L280-V409 HydrophobicContact CD1-CG2 3.72Å; C371-V409 HydrophobicContact CB-CG2 4.04Å; V372-V409 PolarHBondContact O-N 3.21Å; F373-V409 HydrophobicContact CB-CB 3.98Å; F373-V409 HydrophobicContact CB-CG2 3.95Å; F373-V409 HydrophobicContact CD1-CG2 4.31Å |
| 410 | P | 93.6 | Very high | 94.5 | Very high | 86 Ų | 86 | 56.4 Ų | 56.4 | 56% | 0.558 | 29% | 0.292 | S | S | * | . | P | Polyproline II helix | trans | -62 | 142.5 | 177.3 | -19 | 30.3 | 0 | 0 | 0 | 110.9 | V408 | V408-P410 WeakPolarHBondContact O-CD 3.37Š|
| 411 | K | 94.4 | Very high | 94.4 | Very high | 50 Ų | 50 | 53.2 Ų | 53.2 | 22% | 0.217 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 145.3 | 171.6 | 68 | 170.2 | -174.9 | -178.2 | 0 | 110.4 | F275 I276 E277 H392 D393 | F275-K411 HydrophobicContact CB-CB 4.45Å; F275-K411 HydrophobicContact CD1-CD 3.83Å; F275-K411 HydrophobicContact CD2-CD 4.04Å; F275-K411 HydrophobicContact CE1-CD 3.93Å; F275-K411 HydrophobicContact CE2-CD 4.14Å; F275-K411 HydrophobicContact CG-CD 3.91Å; F275-K411 HydrophobicContact CZ-CD 4.1Å; F275-K411 VanDerWaalsContact CZ-NZ 3.26Å; I276-K411 WeakPolarHBondContact O-CA 3.46Å; E277-K411 HydrophobicContact CG-CB 3.93Å; H392-K411 WeakPolarHBondContact CE1-CE 3.48Å; H392-K411 WeakPolarHBondContact ND1-CE 3.28Å; H392-K411 PolarHBondContact ND1-NZ 2.6Å; H392-K411 WeakPolarHBondContact NE2-CD 3.5Å; D393-K411 IonicContact OD1-NZ 2.68Å |
| 412 | T | 96.4 | Very high | 94.3 | Very high | 95 Ų | 95 | 54.4 Ų | 54.4 | 58% | 0.583 | 28% | 0.275 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 134.7 | 171.7 | -52.9 | 0 | 0 | 0 | 0 | 108.9 | F275 I276 | F275-T412 CarbonylContact C-O 3.58Å; F275-T412 WeakPolarHBondContact CA-O 3.49Å; I276-T412 PolarHBondContact N-O 3.04Å; I276-T412 PolarHBondContact O-N 2.99Å |
| 413 | E | 97.1 | Very high | 94.3 | Very high | 111 Ų | 111 | 52.6 Ų | 52.6 | 52% | 0.519 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 134 | 171.5 | -75.7 | -175.5 | -169.9 | 0 | 0 | 110.1 | T273 F275 | T273-E413 HydrophobicContact CG2-CB 4Å; T273-E413 HydrophobicContact CG2-CG 4.26Å; F275-E413 HydrophobicContact CD1-CG 3.71Å; F275-E413 HydrophobicContact CE1-CG 3.54Å |
| 414 | A | 96.3 | Very high | 94.3 | Very high | 3 Ų | 3 | 46.1 Ų | 46.1 | 3% | 0.025 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 159.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | T273 F274 I276 E419 | T273-A414 WeakPolarHBondContact CA-O 3.5Å; T273-A414 WeakPolarHBondContact CG2-O 3.45Å; F274-A414 HydrophobicContact CD2-CB 4.04Å; F274-A414 HydrophobicContact CE2-CB 3.55Å; F274-A414 HydrophobicContact CZ-CB 4.14Å; F274-A414 PolarHBondContact N-O 3.1Å; F274-A414 PolarHBondContact O-N 3.11Å; I276-A414 HydrophobicContact CD1-CB 3.5Å; I276-A414 HydrophobicContact CG1-CB 3.93Å; A414-E419 HydrophobicContact CB-CB 3.81Å; A414-E419 HydrophobicContact CB-CG 4.46Å |
| 415 | K | 95 | Very high | 94.3 | Very high | 131 Ų | 131 | 46.7 Ų | 46.7 | 57% | 0.57 | 24% | 0.24 | S | C | * | . | trans | -130.3 | -19.8 | 178.7 | -69.9 | 177.9 | 176.6 | 173.8 | 0 | 113.2 | T273 E419 | T273-K415 HydrophobicContact CG2-CG 4.01Å; T273-K415 WeakPolarHBondContact OG1-CE 3.49Å; K415-E419 PolarHBondContact N-OE2 2.92Å | ||
| 416 | T | 94.3 | Very high | 94 | Very high | 58 Ų | 58 | 50.5 Ų | 50.5 | 36% | 0.356 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -119.1 | 153.7 | -167.5 | 67.3 | 0 | 0 | 0 | 0 | 112.6 | E266 Q418 E419 V420 | E266-T416 WeakPolarHBondContact OE1-CA 3.48Å; T416-Q418 PolarHBondContact O-N 3.17Å; T416-E419 WeakPolarHBondContact CB-OE2 3.47Å; T416-E419 PolarHBondContact N-OE2 2.89Å; T416-E419 PolarHBondContact O-N 3.24Å; T416-E419 WeakPolarHBondContact OG1-CG 3.36Å; T416-E419 PolarHBondContact OG1-N 3.17Å; T416-E419 PolarHBondContact OG1-OE2 3.39Å; T416-V420 PolarHBondContact O-N 3.11Å |
| 417 | M | 92.7 | Very high | 93.6 | Very high | 38 Ų | 38 | 50.6 Ų | 50.6 | 19% | 0.187 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.2 | -32.9 | 171.2 | -179.7 | -178 | 166.8 | 0 | 0 | 111.7 | M262 V265 E266 V420 V421 | M262-M417 HydrophobicContact CG-CE 4.34Å; V265-M417 HydrophobicContact CG1-CB 4.34Å; E266-M417 PolarHBondContact OE1-N 3.03Å; M417-V420 WeakPolarHBondContact O-CB 3.45Å; M417-V420 PolarHBondContact O-N 2.82Å; M417-V421 HydrophobicContact CE-CG2 4.45Å; M417-V421 HydrophobicContact CG-CG2 4.46Å; M417-V421 WeakPolarHBondContact O-CG2 3.43Å; M417-V421 PolarHBondContact O-N 2.66Å |
| 418 | Q | 92.1 | Very high | 93 | Very high | 85 Ų | 85 | 47.6 Ų | 47.6 | 40% | 0.397 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64.2 | -41 | 178.6 | -175.3 | 63 | 70.1 | 0 | 0 | 112.2 | T416 V420 V421 N422 I623 | T416-Q418 PolarHBondContact O-N 3.17Å; Q418-V420 VanDerWaalsContact C-N 3.3Å; Q418-V420 PolarHBondContact O-N 3.05Å; Q418-V421 PolarHBondContact O-N 3.24Å; Q418-N422 PolarHBondContact NE2-OD1 3.45Å; Q418-N422 PolarHBondContact O-N 3.23Å; Q418-N422 PolarHBondContact O-OD1 2.79Å; Q418-I623 HydrophobicContact CB-CD1 3.83Å; Q418-I623 HydrophobicContact CG-CD1 4.28Å |
| 419 | E | 95 | Very high | 92.3 | Very high | 73 Ų | 73 | 51.5 Ų | 51.5 | 34% | 0.341 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.9 | -37.8 | 174.6 | -69.2 | 162.8 | 122.7 | 0 | 0 | 111.3 | A414 K415 T416 N422 A423 | A414-E419 HydrophobicContact CB-CB 3.81Å; A414-E419 HydrophobicContact CB-CG 4.46Å; K415-E419 PolarHBondContact N-OE2 2.92Å; T416-E419 WeakPolarHBondContact CB-OE2 3.47Å; T416-E419 PolarHBondContact N-OE2 2.89Å; T416-E419 PolarHBondContact O-N 3.24Å; T416-E419 WeakPolarHBondContact OG1-CG 3.36Å; T416-E419 PolarHBondContact OG1-N 3.17Å; T416-E419 PolarHBondContact OG1-OE2 3.39Å; E419-N422 PolarHBondContact O-N 3.49Å; E419-A423 WeakPolarHBondContact O-CB 2.93Å; E419-A423 PolarHBondContact O-N 3.39Å |
| 420 | V | 94.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.6 | -41.5 | 174.3 | -179.6 | 0 | 0 | 0 | 0 | 111.6 | M262 V265 F274 I276 T416 M417 Q418 L424 I435 V437 I456 | M262-V420 HydrophobicContact CE-CG1 4Å; V265-V420 HydrophobicContact CG1-CG2 4.13Å; V265-V420 HydrophobicContact CG2-CG2 4.44Å; F274-V420 HydrophobicContact CE2-CG2 3.52Å; F274-V420 HydrophobicContact CZ-CG2 3.68Å; I276-V420 HydrophobicContact CD1-CG2 3.96Å; T416-V420 PolarHBondContact O-N 3.11Å; M417-V420 WeakPolarHBondContact O-CB 3.45Å; M417-V420 PolarHBondContact O-N 2.82Å; Q418-V420 VanDerWaalsContact C-N 3.3Å; Q418-V420 PolarHBondContact O-N 3.05Å; V420-L424 WeakPolarHBondContact O-CB 3.36Å; V420-L424 PolarHBondContact O-N 2.74Å; V420-I435 HydrophobicContact CG1-CD1 3.75Å; V420-V437 HydrophobicContact CG1-CG2 4.48Å; V420-I456 HydrophobicContact CG1-CD1 3.45Å; V420-I456 VanDerWaalsContact CG1-CD1 3.45Å |
| 421 | V | 92.3 | Very high | 90.6 | Very high | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.006 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.9 | -46.1 | 174.3 | 171.1 | 0 | 0 | 0 | 0 | 110.7 | M262 M417 Q418 L424 N425 L621 I623 | M262-V421 HydrophobicContact CE-CB 4.14Å; M262-V421 HydrophobicContact CE-CG2 3.42Å; M262-V421 VanDerWaalsContact CE-CG2 3.42Å; M417-V421 HydrophobicContact CE-CG2 4.45Å; M417-V421 HydrophobicContact CG-CG2 4.46Å; M417-V421 WeakPolarHBondContact O-CG2 3.43Å; M417-V421 PolarHBondContact O-N 2.66Å; Q418-V421 PolarHBondContact O-N 3.24Å; V421-L424 PolarHBondContact O-N 2.82Å; V421-N425 PolarHBondContact O-N 2.9Å; V421-N425 PolarHBondContact O-ND2 3.34Å; V421-L621 HydrophobicContact CG1-CB 4.27Å; V421-L621 HydrophobicContact CG1-CD2 4.48Å; V421-L621 HydrophobicContact CG1-CG 4.42Å; V421-L621 VanDerWaalsContact CG1-O 3.32Å; V421-L621 WeakPolarHBondContact CG1-O 3.43Å; V421-L621 HydrophobicContact CG2-CD2 4.15Å; V421-I623 HydrophobicContact CG2-CG1 3.96Å |
| 422 | N | 93.1 | Very high | 90.1 | Very high | 85 Ų | 85 | 57.2 Ų | 57.2 | 46% | 0.455 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.3 | -48.4 | 179.9 | -66.5 | -8.2 | 0 | 0 | 0 | 110.9 | Q418 E419 L424 N425 E426 | Q418-N422 PolarHBondContact NE2-OD1 3.45Å; Q418-N422 PolarHBondContact O-N 3.23Å; Q418-N422 PolarHBondContact O-OD1 2.79Å; E419-N422 PolarHBondContact O-N 3.49Å; N422-L424 VanDerWaalsContact C-N 3.31Å; N422-L424 PolarHBondContact O-N 3.4Å; N422-N425 PolarHBondContact O-N 2.95Å; N422-E426 WeakPolarHBondContact O-CB 3.34Å; N422-E426 PolarHBondContact O-N 3.37Å |
| 423 | A | 94.4 | Very high | 89.7 | Confident | 19 Ų | 19 | 54.3 Ų | 54.3 | 16% | 0.157 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.4 | -35.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | I276 E419 A427 I435 | I276-A423 HydrophobicContact CD1-CB 4.1Å; I276-A423 HydrophobicContact CG2-CB 3.82Å; E419-A423 WeakPolarHBondContact O-CB 2.93Å; E419-A423 PolarHBondContact O-N 3.39Å; A423-A427 WeakPolarHBondContact O-CB 3.33Å; A423-A427 PolarHBondContact O-N 3.05Å; A423-I435 HydrophobicContact CB-CD1 4.34Å; A423-I435 HydrophobicContact CB-CG2 4.39Å |
| 424 | L | 92.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -68 | -40.8 | 174.8 | -178.5 | 63.5 | 0 | 0 | 0 | 111.9 | M262 V420 V421 N422 A427 I428 I435 I456 P458 V461 L621 | M262-L424 HydrophobicContact CE-CD2 3.93Å; M262-L424 HydrophobicContact SD-CD2 4.29Å; V420-L424 WeakPolarHBondContact O-CB 3.36Å; V420-L424 PolarHBondContact O-N 2.74Å; V421-L424 PolarHBondContact O-N 2.82Å; N422-L424 VanDerWaalsContact C-N 3.31Å; N422-L424 PolarHBondContact O-N 3.4Å; L424-A427 PolarHBondContact O-N 3.18Å; L424-I428 HydrophobicContact CG-CD1 4.2Å; L424-I428 WeakPolarHBondContact O-CD1 3.13Å; L424-I428 VanDerWaalsContact O-CG1 3.25Å; L424-I428 WeakPolarHBondContact O-CG1 3.45Å; L424-I428 PolarHBondContact O-N 2.84Å; L424-I435 HydrophobicContact CB-CD1 4.09Å; L424-I435 HydrophobicContact CD1-CG1 4.45Å; L424-I456 HydrophobicContact CD1-CG2 4.29Å; L424-I456 HydrophobicContact CD2-CG2 3.88Å; L424-P458 HydrophobicContact CD1-CG 4.38Å; L424-V461 HydrophobicContact CD2-CG2 4.21Å; L424-L621 HydrophobicContact CD2-CD2 4.35Å |
| 425 | N | 88.9 | Confident | 89.5 | Confident | 16 Ų | 16 | 49 Ų | 49 | 9% | 0.086 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.5 | -40.9 | 175.8 | -72.3 | -24.1 | 0 | 0 | 0 | 111.4 | V421 N422 I428 D429 H620 L621 | V421-N425 PolarHBondContact O-N 2.9Å; V421-N425 PolarHBondContact O-ND2 3.34Å; N422-N425 PolarHBondContact O-N 2.95Å; N425-I428 WeakPolarHBondContact O-CB 3.43Å; N425-I428 PolarHBondContact O-N 3.41Å; N425-I428 VanDerWaalsContact O-N 3.14Å; N425-D429 PolarHBondContact O-N 2.98Å; N425-H620 WeakPolarHBondContact OD1-CA 3.21Å; N425-L621 PolarHBondContact ND2-O 3.08Å; N425-L621 PolarHBondContact OD1-N 2.83Å |
| 426 | E | 89.9 | Confident | 89.7 | Confident | 121 Ų | 121 | 43.9 Ų | 43.9 | 57% | 0.565 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -61.3 | -44.6 | 173.1 | -175.8 | 177.3 | -177.3 | 0 | 0 | 111.5 | N422 I428 D429 N430 | N422-E426 WeakPolarHBondContact O-CB 3.34Å; N422-E426 PolarHBondContact O-N 3.37Å; E426-I428 VanDerWaalsContact C-N 3.27Å; E426-I428 PolarHBondContact O-N 3.4Å; E426-D429 PolarHBondContact O-N 3.16Å; E426-N430 WeakPolarHBondContact O-CB 3.47Å; E426-N430 PolarHBondContact O-N 2.98Å; E426-N430 PolarHBondContact O-ND2 3.23Å |
| 427 | A | 87.6 | Confident | 89.8 | Confident | 2 Ų | 2 | 41.1 Ų | 41.1 | 2% | 0.017 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.2 | -36.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A423 L424 R431 E432 I435 | A423-A427 WeakPolarHBondContact O-CB 3.33Å; A423-A427 PolarHBondContact O-N 3.05Å; L424-A427 PolarHBondContact O-N 3.18Å; A427-R431 PolarHBondContact O-N 3.28Å; A427-R431 VanDerWaalsContact O-N 3.07Å; A427-E432 HydrophobicContact CB-CB 4.11Å; A427-E432 WeakPolarHBondContact O-CB 3.28Å; A427-E432 PolarHBondContact O-N 2.79Å; A427-I435 HydrophobicContact CB-CG2 3.85Å |
| 428 | I | 81.4 | Confident | 90.1 | Very high | 10 Ų | 10 | 39.4 Ų | 39.4 | 5% | 0.051 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.5 | -46.5 | 174.6 | -72.3 | 161.4 | 0 | 0 | 0 | 111 | L424 N425 E426 N430 R431 P458 L464 F617 | L424-I428 HydrophobicContact CG-CD1 4.2Å; L424-I428 WeakPolarHBondContact O-CD1 3.13Å; L424-I428 VanDerWaalsContact O-CG1 3.25Å; L424-I428 WeakPolarHBondContact O-CG1 3.45Å; L424-I428 PolarHBondContact O-N 2.84Å; N425-I428 WeakPolarHBondContact O-CB 3.43Å; N425-I428 PolarHBondContact O-N 3.41Å; N425-I428 VanDerWaalsContact O-N 3.14Å; E426-I428 VanDerWaalsContact C-N 3.27Å; E426-I428 PolarHBondContact O-N 3.4Å; I428-N430 VanDerWaalsContact C-N 3.33Å; I428-N430 PolarHBondContact O-N 3.32Å; I428-R431 WeakPolarHBondContact O-CA 3.31Å; I428-R431 PolarHBondContact O-N 3.22Å; I428-P458 HydrophobicContact CD1-CG 4.11Å; I428-P458 HydrophobicContact CG1-CB 4.49Å; I428-P458 HydrophobicContact CG1-CG 3.68Å; I428-L464 HydrophobicContact CD1-CD1 4.43Å; I428-L464 HydrophobicContact CD1-CD2 3.77Å; I428-F617 HydrophobicContact CB-CD2 4.24Å; I428-F617 HydrophobicContact CB-CE2 4.44Å; I428-F617 HydrophobicContact CG1-CD2 3.81Å; I428-F617 HydrophobicContact CG1-CE2 4.13Å; I428-F617 HydrophobicContact CG2-CD2 3.89Å; I428-F617 HydrophobicContact CG2-CE2 4.39Å |
| 429 | D | 81.1 | Confident | 90.3 | Very high | 93 Ų | 93 | 37.3 Ų | 37.3 | 50% | 0.497 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -63.8 | -40.1 | 179.9 | -69.9 | -20.7 | 0 | 0 | 0 | 111.5 | N425 E426 R431 H620 | N425-D429 PolarHBondContact O-N 2.98Å; E426-D429 PolarHBondContact O-N 3.16Å; D429-R431 PolarHBondContact O-N 3Å; D429-H620 IonicContact OD1-CD2 3.77Å; D429-H620 IonicContact OD1-CE1 3.3Å; D429-H620 IonicContact OD1-NE2 2.98Å; D429-H620 PolarHBondContact OD1-NE2 2.92Å; D429-H620 IonicContact OD2-CE1 2.76Å; D429-H620 PolarHBondContact OD2-CE1 3.06Å; D429-H620 VanDerWaalsContact OD2-CE1 3.3Å; D429-H620 IonicContact OD2-NE2 3.93Å; D429-H620 PolarHBondContact OD2-NE2 2.83Å |
| 430 | N | 78.4 | Confident | 90.5 | Very high | 94 Ų | 94 | 34.7 Ų | 34.7 | 50% | 0.503 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -0.2 | 173.9 | -66.8 | -24.1 | 0 | 0 | 0 | 113.2 | E426 I428 E432 | E426-N430 WeakPolarHBondContact O-CB 3.47Å; E426-N430 PolarHBondContact O-N 2.98Å; E426-N430 PolarHBondContact O-ND2 3.23Å; I428-N430 VanDerWaalsContact C-N 3.33Å; I428-N430 PolarHBondContact O-N 3.32Å; N430-E432 HydrophobicContact CB-CG 3.84Å; N430-E432 PolarHBondContact O-N 3.18Å |
| 431 | R | 75.8 | Confident | 90.6 | Very high | 116 Ų | 116 | 38.3 Ų | 38.3 | 44% | 0.438 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.5 | 26.8 | 177.7 | -49.1 | 174.7 | -179.5 | -165.5 | -7.1 | 114 | Q350 A427 I428 D429 S613 K615 | Q350-R431 PolarHBondContact NE2-O 3.44Å; A427-R431 PolarHBondContact O-N 3.28Å; A427-R431 VanDerWaalsContact O-N 3.07Å; I428-R431 WeakPolarHBondContact O-CA 3.31Å; I428-R431 PolarHBondContact O-N 3.22Å; D429-R431 PolarHBondContact O-N 3Å; R431-S613 PolarHBondContact NH1-OG 2.94Å; R431-S613 PolarHBondContact NH2-OG 3.24Å; R431-K615 WeakPolarHBondContact O-CE 3.37Å |
| 432 | E | 84.1 | Confident | 90.8 | Very high | 51 Ų | 51 | 38.7 Ų | 38.7 | 24% | 0.238 | 20% | 0.201 | C | C | . | . | trans | -73.6 | 171.9 | 178.7 | -57.7 | 179.2 | 160.5 | 0 | 0 | 111.6 | T278 A427 N430 G434 | T278-E432 HydrophobicContact CG2-CB 4.26Å; T278-E432 HydrophobicContact CG2-CG 4.09Å; T278-E432 WeakPolarHBondContact CG2-OE1 3.32Å; T278-E432 WeakPolarHBondContact CG2-OE2 3.47Å; T278-E432 PolarHBondContact OG1-OE1 2.95Å; T278-E432 PolarHBondContact OG1-OE2 3.43Å; T278-E432 VanDerWaalsContact OG1-OE2 3.05Å; A427-E432 HydrophobicContact CB-CB 4.11Å; A427-E432 WeakPolarHBondContact O-CB 3.28Å; A427-E432 PolarHBondContact O-N 2.79Å; N430-E432 HydrophobicContact CB-CG 3.84Å; N430-E432 PolarHBondContact O-N 3.18Å; E432-G434 VanDerWaalsContact C-N 3.25Å; E432-G434 PolarHBondContact O-N 3.43Å | ||
| 433 | E | 86.9 | Confident | 91 | Very high | 33 Ų | 33 | 36.8 Ų | 36.8 | 15% | 0.154 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -72.8 | -22.1 | 179.9 | -153.2 | -172.7 | 144.5 | 0 | 0 | 112.8 | K279 D281 K457 | K279-E433 HydrophobicContact CB-CB 4.46Å; K279-E433 HydrophobicContact CD-CB 4.4Å; K279-E433 HydrophobicContact CD-CG 4.45Å; K279-E433 WeakPolarHBondContact CE-OE1 3.32Å; K279-E433 HydrophobicContact CG-CB 4.41Å; K279-E433 IonicContact NZ-OE1 3.89Å; K279-E433 PolarHBondContact NZ-OE1 2.98Å; K279-E433 IonicContact NZ-OE2 3.18Å; K279-E433 PolarHBondContact NZ-OE2 3.06Å; K279-E433 VanDerWaalsContact O-CB 3.27Å; K279-E433 WeakPolarHBondContact O-CB 3.34Å; D281-E433 WeakPolarHBondContact CA-OE2 2.63Å; D281-E433 HydrophobicContact CB-CB 4.16Å; D281-E433 HydrophobicContact CB-CG 4.34Å; E433-K457 WeakPolarHBondContact O-CG 3.22Å; E433-K457 WeakPolarHBondContact OE1-CE 3.49Å; E433-K457 IonicContact OE1-NZ 3Å; E433-K457 PolarHBondContact OE1-NZ 3.32Å |
| 434 | G | 92.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | 140.1 | -155.1 | -172.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | K279 E432 I456 | K279-G434 VanDerWaalsContact CB-C 3.49Å; K279-G434 WeakPolarHBondContact CB-O 3.49Å; K279-G434 PolarHBondContact N-O 2.82Å; E432-G434 VanDerWaalsContact C-N 3.25Å; E432-G434 PolarHBondContact O-N 3.43Å; G434-I456 WeakPolarHBondContact CA-O 3.43Å | ||
| 435 | I | 97.2 | Very high | 91.4 | Very high | 4 Ų | 4 | 39.9 Ų | 39.9 | 2% | 0.021 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 155.8 | -176.8 | 61.7 | 175.9 | 0 | 0 | 0 | 111.9 | I276 E277 V420 A423 L424 A427 V437 K455 I456 | I276-I435 HydrophobicContact CG2-CB 4.18Å; I276-I435 HydrophobicContact CG2-CD1 4.3Å; I276-I435 HydrophobicContact CG2-CG2 4.37Å; E277-I435 CarbonylContact O-C 3.57Å; E277-I435 WeakPolarHBondContact O-CA 3.18Å; V420-I435 HydrophobicContact CG1-CD1 3.75Å; A423-I435 HydrophobicContact CB-CD1 4.34Å; A423-I435 HydrophobicContact CB-CG2 4.39Å; L424-I435 HydrophobicContact CB-CD1 4.09Å; L424-I435 HydrophobicContact CD1-CG1 4.45Å; A427-I435 HydrophobicContact CB-CG2 3.85Å; I435-V437 HydrophobicContact CD1-CG2 4.43Å; I435-K455 WeakPolarHBondContact O-CA 3.27Å; I435-I456 HydrophobicContact CD1-CB 4.33Å; I435-I456 HydrophobicContact CD1-CD1 4.36Å; I435-I456 HydrophobicContact CG1-CB 3.81Å; I435-I456 PolarHBondContact N-O 3.32Å; I435-I456 PolarHBondContact O-N 2.9Å |
| 436 | M | 98.1 | Very high | 91.7 | Very high | 23 Ų | 23 | 40.2 Ų | 40.2 | 11% | 0.113 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 135.1 | 169.3 | -60.1 | -66.7 | -65.6 | 0 | 0 | 108.3 | A257 I276 E277 K279 L454 K455 | A257-M436 HydrophobicContact CB-CE 3.55Å; A257-M436 HydrophobicContact CB-SD 4.44Å; I276-M436 WeakPolarHBondContact CA-O 3.5Å; E277-M436 HydrophobicContact CB-CB 4.3Å; E277-M436 PolarHBondContact N-O 3.08Å; E277-M436 PolarHBondContact O-N 3.43Å; K279-M436 HydrophobicContact CB-CG 3.95Å; K279-M436 HydrophobicContact CB-SD 4.21Å; K279-M436 HydrophobicContact CD-SD 4.03Å; K279-M436 HydrophobicContact CG-CG 4.09Å; K279-M436 HydrophobicContact CG-SD 3.79Å; M436-L454 WeakPolarHBondContact CA-O 3.41Å; M436-K455 HydrophobicContact SD-CB 3.75Å |
| 437 | V | 97.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 120.8 | 174.3 | -177 | 0 | 0 | 0 | 0 | 107.4 | V265 M269 F274 F275 V420 I435 L454 I456 | V265-V437 HydrophobicContact CG2-CG1 4.12Å; V265-V437 HydrophobicContact CG2-CG2 4.49Å; M269-V437 HydrophobicContact CE-CB 4.39Å; M269-V437 HydrophobicContact CE-CG1 3.83Å; M269-V437 HydrophobicContact CG-CG1 3.94Å; M269-V437 HydrophobicContact SD-CG1 3.92Å; F274-V437 HydrophobicContact CB-CG1 4.2Å; F274-V437 HydrophobicContact CD2-CG1 3.51Å; F274-V437 HydrophobicContact CE2-CG1 4.03Å; F274-V437 HydrophobicContact CG-CG1 3.92Å; F275-V437 CarbonylContact O-C 3.56Å; F275-V437 WeakPolarHBondContact O-CA 3.36Å; V420-V437 HydrophobicContact CG1-CG2 4.48Å; I435-V437 HydrophobicContact CD1-CG2 4.43Å; V437-L454 HydrophobicContact CB-CB 4.31Å; V437-L454 PolarHBondContact N-O 2.86Å; V437-L454 PolarHBondContact O-N 2.79Å; V437-I456 HydrophobicContact CG2-CD1 3.93Å; V437-I456 HydrophobicContact CG2-CG1 4.47Å |
| 438 | K | 98.1 | Very high | 92.2 | Very high | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.009 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 137.1 | -173.2 | -58 | -179.1 | -173.1 | 165.5 | 0 | 112.3 | F274 F275 E277 L388 P440 G452 W453 | F274-K438 WeakPolarHBondContact CB-O 3.31Å; F275-K438 PolarHBondContact N-O 3.17Å; F275-K438 PolarHBondContact O-N 2.94Å; E277-K438 WeakPolarHBondContact OE1-CD 3.26Å; E277-K438 WeakPolarHBondContact OE1-CE 3.4Å; E277-K438 IonicContact OE1-NZ 3.81Å; E277-K438 PolarHBondContact OE1-NZ 3.48Å; E277-K438 WeakPolarHBondContact OE2-CE 3.46Å; E277-K438 IonicContact OE2-NZ 3.8Å; E277-K438 PolarHBondContact OE2-NZ 3.23Å; L388-K438 HydrophobicContact CD2-CB 3.48Å; L388-K438 VanDerWaalsContact CD2-CB 3.48Å; L388-K438 HydrophobicContact CD2-CD 3.76Å; L388-K438 HydrophobicContact CD2-CG 4.28Å; K438-P440 WeakPolarHBondContact O-CD 3.49Å; K438-G452 CarbonylContact C-O 2.89Å; K438-G452 VanDerWaalsContact CA-O 3.27Å; K438-G452 WeakPolarHBondContact CA-O 3.41Å; K438-W453 HydrophobicContact CD-CD2 4.11Å; K438-W453 HydrophobicContact CD-CG 4.26Å; K438-W453 HydrophobicContact CD-CZ2 4.25Å; K438-W453 HydrophobicContact CG-CD2 4.33Å; K438-W453 HydrophobicContact CG-CG 3.99Å |
| 439 | D | 97.6 | Very high | 92.8 | Very high | 40 Ų | 40 | 48.5 Ų | 48.5 | 21% | 0.214 | 24% | 0.238 | C | C | . | . | trans | -73.9 | 117.7 | 172.5 | 176.7 | -2.8 | 0 | 0 | 0 | 110.2 | M269 S441 S442 G452 | M269-D439 HydrophobicContact SD-CB 4.08Å; D439-S441 VanDerWaalsContact CG-OG 3.24Å; D439-S441 PolarHBondContact O-N 3.2Å; D439-S441 WeakPolarHBondContact OD1-CB 3.26Å; D439-S441 PolarHBondContact OD1-N 3.22Å; D439-S441 PolarHBondContact OD1-OG 2.89Å; D439-S441 PolarHBondContact OD2-OG 2.87Å; D439-S441 VanDerWaalsContact OD2-OG 3.09Å; D439-S442 WeakPolarHBondContact O-CB 3.32Å; D439-S442 PolarHBondContact O-N 2.92Å; D439-S442 VanDerWaalsContact O-N 3.07Å; D439-S442 PolarHBondContact O-OG 3.36Å; D439-G452 PolarHBondContact N-O 3.42Å | ||
| 440 | P | 97.6 | Very high | 93.1 | Very high | 19 Ų | 19 | 45.3 Ų | 45.3 | 12% | 0.123 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -25.2 | 179.4 | -25.3 | 36.6 | 0 | 0 | 0 | 113.7 | T273 F275 L388 K389 K438 | T273-P440 WeakPolarHBondContact O-CD 3.11Å; T273-P440 WeakPolarHBondContact O-CG 3.45Å; F275-P440 HydrophobicContact CD1-CG 4.19Å; F275-P440 HydrophobicContact CD2-CB 4.17Å; F275-P440 HydrophobicContact CD2-CG 3.93Å; F275-P440 HydrophobicContact CE1-CB 4.39Å; F275-P440 HydrophobicContact CE1-CG 4.03Å; F275-P440 HydrophobicContact CE2-CB 3.58Å; F275-P440 HydrophobicContact CE2-CG 3.77Å; F275-P440 HydrophobicContact CG-CG 4.13Å; F275-P440 HydrophobicContact CZ-CB 3.69Å; F275-P440 HydrophobicContact CZ-CG 3.8Å; L388-P440 PolarHBondContact N-O 3.17Å; L388-P440 VanDerWaalsContact N-O 3.16Å; K389-P440 HydrophobicContact CB-CB 4.35Å; K389-P440 PolarHBondContact N-O 3.28Å; K438-P440 WeakPolarHBondContact O-CD 3.49Å |
| 441 | S | 96.8 | Very high | 93.7 | Very high | 75 Ų | 75 | 45.1 Ų | 45.1 | 52% | 0.524 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -9.9 | 178.8 | 75.6 | 0 | 0 | 0 | 0 | 113.6 | D439 | D439-S441 VanDerWaalsContact CG-OG 3.24Å; D439-S441 PolarHBondContact O-N 3.2Å; D439-S441 WeakPolarHBondContact OD1-CB 3.26Å; D439-S441 PolarHBondContact OD1-N 3.22Å; D439-S441 PolarHBondContact OD1-OG 2.89Å; D439-S441 PolarHBondContact OD2-OG 2.87Å; D439-S441 VanDerWaalsContact OD2-OG 3.09Å |
| 442 | S | 97.2 | Very high | 94.6 | Very high | 9 Ų | 9 | 40.2 Ų | 40.2 | 6% | 0.063 | 21% | 0.209 | C | C | . | . | trans | -69.7 | 136.8 | -176.6 | 65.5 | 0 | 0 | 0 | 0 | 113.2 | L388 R391 D439 | L388-S442 PolarHBondContact N-O 3.4Å; R391-S442 PolarHBondContact NH1-O 3.31Å; D439-S442 WeakPolarHBondContact O-CB 3.32Å; D439-S442 PolarHBondContact O-N 2.92Å; D439-S442 VanDerWaalsContact O-N 3.07Å; D439-S442 PolarHBondContact O-OG 3.36Å | ||
| 443 | V | 97.6 | Very high | 95.3 | Very high | 45 Ų | 45 | 37.9 Ų | 37.9 | 27% | 0.273 | 20% | 0.198 | S | C | . | . | trans | -82.5 | 162.7 | 169.6 | -57.5 | 0 | 0 | 0 | 0 | 111 | N385 K445 | N385-V443 VanDerWaalsContact O-CG1 3.28Å; N385-V443 WeakPolarHBondContact O-CG1 3.44Å; V443-K445 HydrophobicContact CG2-CD 4.48Å; V443-K445 HydrophobicContact CG2-CG 3.92Å; V443-K445 PolarHBondContact O-N 3.37Å | ||
| 444 | Y | 97.9 | Very high | 95.8 | Very high | 6 Ų | 6 | 36.7 Ų | 36.7 | 2% | 0.024 | 19% | 0.193 | C | C | . | . | trans | -81.1 | 114.1 | 177.6 | -165.1 | -82.3 | 0 | 0 | 0 | 110.4 | I246 F252 P254 M255 D335 L376 G384 P446 W453 | I246-Y444 HydrophobicContact CD1-CD1 4.05Å; I246-Y444 HydrophobicContact CD1-CE1 4.24Å; F252-Y444 HydrophobicContact CD2-CE1 4.23Å; F252-Y444 AromaticContact CE2-CE1 3.96Å; F252-Y444 HydrophobicContact CE2-CE1 3.96Å; F252-Y444 AromaticContact CE2-CZ 3.96Å; F252-Y444 WeakPolarHBondContact CE2-OH 3.34Å; P254-Y444 VanDerWaalsContact CA-OH 3.29Å; P254-Y444 WeakPolarHBondContact CA-OH 3.17Å; M255-Y444 HydrophobicContact CB-CD1 4.32Å; M255-Y444 HydrophobicContact CB-CD2 4.25Å; M255-Y444 HydrophobicContact CB-CE1 3.87Å; M255-Y444 HydrophobicContact CB-CE2 3.85Å; M255-Y444 HydrophobicContact CB-CG 4.49Å; M255-Y444 PolarHBondContact N-OH 3Å; M255-Y444 HydrophobicContact SD-CD2 4.34Å; M255-Y444 HydrophobicContact SD-CG 4.44Å; D335-Y444 WeakPolarHBondContact OD2-CE2 3.35Å; D335-Y444 PolarHBondContact OD2-OH 3.46Å; L376-Y444 HydrophobicContact CD1-CD1 4.22Å; L376-Y444 HydrophobicContact CD1-CD2 4.47Å; L376-Y444 HydrophobicContact CD1-CE1 3.96Å; L376-Y444 HydrophobicContact CD1-CE2 4.19Å; L376-Y444 HydrophobicContact CD1-CG 4.47Å; L376-Y444 HydrophobicContact CD2-CD1 3.94Å; L376-Y444 HydrophobicContact CD2-CD2 3.56Å; L376-Y444 HydrophobicContact CD2-CE1 4.44Å; L376-Y444 HydrophobicContact CD2-CE2 4.05Å; L376-Y444 HydrophobicContact CD2-CG 3.48Å; L376-Y444 VanDerWaalsContact CD2-CG 3.48Å; G384-Y444 PolarHBondContact O-N 3.35Å; Y444-P446 HydrophobicContact CD1-CG 4.2Å; Y444-P446 HydrophobicContact CE1-CG 4.27Å; Y444-P446 WeakPolarHBondContact O-CD 3.29Å; Y444-W453 HydrophobicContact CD2-CZ2 4.45Å; Y444-W453 HydrophobicContact CE2-CH2 4.08Å; Y444-W453 HydrophobicContact CE2-CZ2 4.41Å | ||
| 445 | K | 96.1 | Very high | 96 | Very high | 78 Ų | 78 | 38.6 Ų | 38.6 | 34% | 0.339 | 20% | 0.201 | S | C | . | . | trans | -111.5 | 103.8 | 179.9 | -62.4 | -169.7 | -172.5 | 175.5 | 0 | 111.9 | M255 V443 K448 E451 | M255-K445 WeakPolarHBondContact CG-O 3.5Å; M255-K445 PolarHBondContact SD-N 3.23Å; M255-K445 VanDerWaalsContact SD-N 3.42Å; V443-K445 HydrophobicContact CG2-CD 4.48Å; V443-K445 HydrophobicContact CG2-CG 3.92Å; V443-K445 PolarHBondContact O-N 3.37Å; K445-K448 HydrophobicContact CB-CB 3.76Å; K445-K448 HydrophobicContact CB-CG 3.66Å; K445-K448 HydrophobicContact CD-CG 4.39Å; K445-K448 PolarHBondContact O-N 3.31Å; K445-E451 HydrophobicContact CD-CB 3.91Å; K445-E451 HydrophobicContact CD-CG 3.96Å; K445-E451 IonicContact NZ-OE2 3.49Å; K445-E451 PolarHBondContact NZ-OE2 2.91Å | ||
| 446 | P | 95.8 | Very high | 95.9 | Very high | 23 Ų | 23 | 38.7 Ų | 38.7 | 15% | 0.149 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | 136.3 | 179 | -29.5 | 38.6 | 0 | 0 | 0 | 113.8 | N222 V223 I246 K253 Y444 K448 | N222-P446 HydrophobicContact CB-CB 4.1Å; V223-P446 HydrophobicContact CG1-CG 4.1Å; I246-P446 HydrophobicContact CD1-CG 4.15Å; I246-P446 HydrophobicContact CG1-CG 4.36Å; K253-P446 CarbonylContact O-C 3.59Å; K253-P446 WeakPolarHBondContact O-CA 3.07Å; K253-P446 VanDerWaalsContact O-CB 3.29Å; K253-P446 WeakPolarHBondContact O-CB 3.36Å; Y444-P446 HydrophobicContact CD1-CG 4.2Å; Y444-P446 HydrophobicContact CE1-CG 4.27Å; Y444-P446 WeakPolarHBondContact O-CD 3.29Å; P446-K448 PolarHBondContact O-N 2.92Å |
| 447 | D | 94.9 | Very high | 95.5 | Very high | 59 Ų | 59 | 38.1 Ų | 38.1 | 32% | 0.316 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.3 | 4.7 | -176.7 | -148.4 | 34.5 | 0 | 0 | 0 | 116.5 | K253 P254 | K253-D447 HydrophobicContact CB-CB 3.55Å; K253-D447 HydrophobicContact CG-CB 4.1Å; K253-D447 PolarHBondContact O-N 3.41Å; P254-D447 PolarHBondContact O-N 3.19Å |
| 448 | K | 94 | Very high | 95 | Very high | 113 Ų | 113 | 38.3 Ų | 38.3 | 49% | 0.491 | 20% | 0.199 | S | C | . | . | trans | -85.6 | 144.9 | 178.1 | -61.2 | -58.8 | -176.8 | 173.3 | 0 | 111.3 | L256 K445 P446 E451 | L256-K448 WeakPolarHBondContact CA-O 3.44Å; L256-K448 WeakPolarHBondContact CB-O 3.43Å; L256-K448 PolarHBondContact N-O 3.09Å; K445-K448 HydrophobicContact CB-CB 3.76Å; K445-K448 HydrophobicContact CB-CG 3.66Å; K445-K448 HydrophobicContact CD-CG 4.39Å; K445-K448 PolarHBondContact O-N 3.31Å; P446-K448 PolarHBondContact O-N 2.92Å; K448-E451 HydrophobicContact CB-CB 4.46Å; K448-E451 HydrophobicContact CB-CG 3.82Å; K448-E451 HydrophobicContact CG-CG 4.46Å | ||
| 449 | R | 94 | Very high | 94.3 | Very high | 135 Ų | 135 | 40.5 Ų | 40.5 | 51% | 0.509 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 123.6 | -179.6 | -176 | -178.4 | -61.2 | -73.6 | -4.4 | 110.5 | L256 A257 A258 | L256-R449 HydrophobicContact CB-CB 4.2Å; L256-R449 HydrophobicContact CB-CG 4.43Å; L256-R449 WeakPolarHBondContact O-CA 3.43Å; A257-R449 WeakPolarHBondContact O-CG 2.8Å; A257-R449 PolarHBondContact O-NH1 3.46Å; A258-R449 HydrophobicContact CB-CG 4.05Å |
| 450 | G | 86.8 | Confident | 93.6 | Very high | 26 Ų | 26 | 42.2 Ų | 42.2 | 27% | 0.268 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 85.9 | 5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 116 | L256 A258 G452 W453 | L256-G450 PolarHBondContact O-N 2.92Å; A258-G450 VanDerWaalsContact CB-CA 3.4Å; G450-G452 PolarHBondContact O-N 3.22Å; G450-W453 WeakPolarHBondContact CA-O 3.4Å |
| 451 | E | 91.5 | Very high | 92.8 | Very high | 91 Ų | 91 | 42.3 Ų | 42.3 | 43% | 0.425 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 56.5 | 178.1 | -65.4 | -74.8 | 148.2 | 0 | 0 | 111.4 | M255 K445 K448 | M255-E451 HydrophobicContact CE-CB 4.11Å; M255-E451 WeakPolarHBondContact CE-O 3.38Å; K445-E451 HydrophobicContact CD-CB 3.91Å; K445-E451 HydrophobicContact CD-CG 3.96Å; K445-E451 IonicContact NZ-OE2 3.49Å; K445-E451 PolarHBondContact NZ-OE2 2.91Å; K448-E451 HydrophobicContact CB-CB 4.46Å; K448-E451 HydrophobicContact CB-CG 3.82Å; K448-E451 HydrophobicContact CG-CG 4.46Å |
| 452 | G | 94.4 | Very high | 91.7 | Very high | 13 Ų | 13 | 44.4 Ų | 44.4 | 13% | 0.134 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 102.6 | -10.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | K438 D439 G450 | K438-G452 CarbonylContact C-O 2.89Å; K438-G452 VanDerWaalsContact CA-O 3.27Å; K438-G452 WeakPolarHBondContact CA-O 3.41Å; D439-G452 PolarHBondContact N-O 3.42Å; G450-G452 PolarHBondContact O-N 3.22Å |
| 453 | W | 97.9 | Very high | 90.6 | Very high | 2 Ų | 2 | 46.6 Ų | 46.6 | 1% | 0.008 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 121.8 | 174.4 | -71.3 | 19 | 0 | 0 | 0 | 111.2 | M255 A257 A258 F373 D374 K438 Y444 G450 | M255-W453 HydrophobicContact CB-CE3 4.47Å; M255-W453 HydrophobicContact CB-CZ3 4.33Å; M255-W453 HydrophobicContact CE-CB 4.45Å; M255-W453 HydrophobicContact CE-CD2 4.36Å; M255-W453 HydrophobicContact CE-CG 3.97Å; M255-W453 HydrophobicContact CG-CD2 4.25Å; M255-W453 HydrophobicContact CG-CE3 4.26Å; M255-W453 HydrophobicContact SD-CD2 4.09Å; M255-W453 HydrophobicContact SD-CG 4.32Å; M255-W453 HydrophobicContact SD-CZ2 4.32Å; A257-W453 CarbonylContact C-O 3.52Å; A257-W453 VanDerWaalsContact CA-O 3.22Å; A257-W453 WeakPolarHBondContact CA-O 3.34Å; A257-W453 HydrophobicContact CB-CB 4.18Å; A258-W453 PolarHBondContact N-O 2.97Å; F373-W453 HydrophobicContact CD2-CH2 4.15Å; F373-W453 HydrophobicContact CE2-CH2 4.16Å; D374-W453 WeakPolarHBondContact OD2-CZ2 3.4Å; K438-W453 HydrophobicContact CD-CD2 4.11Å; K438-W453 HydrophobicContact CD-CG 4.26Å; K438-W453 HydrophobicContact CD-CZ2 4.25Å; K438-W453 HydrophobicContact CG-CD2 4.33Å; K438-W453 HydrophobicContact CG-CG 3.99Å; Y444-W453 HydrophobicContact CD2-CZ2 4.45Å; Y444-W453 HydrophobicContact CE2-CH2 4.08Å; Y444-W453 HydrophobicContact CE2-CZ2 4.41Å; G450-W453 WeakPolarHBondContact CA-O 3.4Å |
| 454 | L | 97.4 | Very high | 89.7 | Confident | 8 Ų | 8 | 44.8 Ų | 44.8 | 4% | 0.042 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 154.6 | 174.6 | -56.6 | -178.1 | 0 | 0 | 0 | 110.6 | A258 A260 Q268 M269 M436 V437 | A258-L454 HydrophobicContact CB-CD2 3.89Å; A258-L454 CarbonylContact O-C 3.54Å; A258-L454 VanDerWaalsContact O-CA 3.29Å; A258-L454 WeakPolarHBondContact O-CA 3.46Å; A260-L454 HydrophobicContact CB-CB 3.86Å; A260-L454 HydrophobicContact CB-CD1 3.79Å; A260-L454 HydrophobicContact CB-CG 4.34Å; Q268-L454 HydrophobicContact CB-CD1 3.83Å; M269-L454 HydrophobicContact CE-CB 4.14Å; M269-L454 HydrophobicContact CE-CD1 3.26Å; M269-L454 HydrophobicContact CE-CG 3.42Å; M269-L454 VanDerWaalsContact CE-CG 3.42Å; M436-L454 WeakPolarHBondContact CA-O 3.41Å; V437-L454 HydrophobicContact CB-CB 4.31Å; V437-L454 PolarHBondContact N-O 2.86Å; V437-L454 PolarHBondContact O-N 2.79Å |
| 455 | K | 96.8 | Very high | 89 | Confident | 40 Ų | 40 | 45 Ų | 45 | 17% | 0.174 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 139.8 | 172.2 | 63.5 | 177.4 | -179.3 | 164.2 | 0 | 109.7 | A257 A258 A260 K279 I435 M436 Y460 | A257-K455 HydrophobicContact CB-CB 3.98Å; A257-K455 HydrophobicContact CB-CD 4.38Å; A257-K455 HydrophobicContact CB-CG 4.1Å; A258-K455 WeakPolarHBondContact O-CG 3.43Å; A258-K455 PolarHBondContact O-N 3.38Å; A260-K455 PolarHBondContact N-O 2.93Å; K279-K455 HydrophobicContact CD-CB 4.47Å; I435-K455 WeakPolarHBondContact O-CA 3.27Å; M436-K455 HydrophobicContact SD-CB 3.75Å; K455-Y460 HydrophobicContact CD-CE2 4.49Å; K455-Y460 HydrophobicContact CG-CE2 4.43Å; K455-Y460 PolarHBondContact NZ-OH 3.2Å |
| 456 | I | 94.6 | Very high | 88.4 | Confident | 6 Ų | 6 | 42 Ų | 42 | 3% | 0.031 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 130.2 | 175.5 | -54.9 | 178 | 0 | 0 | 0 | 107 | A260 V265 V420 L424 G434 I435 V437 | A260-I456 HydrophobicContact CB-CD1 3.83Å; A260-I456 HydrophobicContact CB-CG1 3.47Å; A260-I456 VanDerWaalsContact CB-CG1 3.47Å; V265-I456 HydrophobicContact CG2-CD1 4.41Å; V420-I456 HydrophobicContact CG1-CD1 3.45Å; V420-I456 VanDerWaalsContact CG1-CD1 3.45Å; L424-I456 HydrophobicContact CD1-CG2 4.29Å; L424-I456 HydrophobicContact CD2-CG2 3.88Å; G434-I456 WeakPolarHBondContact CA-O 3.43Å; I435-I456 HydrophobicContact CD1-CB 4.33Å; I435-I456 HydrophobicContact CD1-CD1 4.36Å; I435-I456 HydrophobicContact CG1-CB 3.81Å; I435-I456 PolarHBondContact N-O 3.32Å; I435-I456 PolarHBondContact O-N 2.9Å; V437-I456 HydrophobicContact CG2-CD1 3.93Å; V437-I456 HydrophobicContact CG2-CG1 4.47Å |
| 457 | K | 91.3 | Very high | 88.1 | Confident | 11 Ų | 11 | 44.1 Ų | 44.1 | 5% | 0.048 | 23% | 0.229 | C | C | . | . | trans | -131 | 152.4 | 178.7 | -66.1 | -169.4 | 177.2 | -165.3 | 0 | 109.9 | E433 E459 Y460 | E433-K457 WeakPolarHBondContact O-CG 3.22Å; E433-K457 WeakPolarHBondContact OE1-CE 3.49Å; E433-K457 IonicContact OE1-NZ 3Å; E433-K457 PolarHBondContact OE1-NZ 3.32Å; K457-E459 HydrophobicContact CB-CG 3.86Å; K457-E459 HydrophobicContact CD-CG 3.99Å; K457-E459 WeakPolarHBondContact CD-OE1 3.4Å; K457-E459 IonicContact NZ-OE1 3.93Å; K457-E459 PolarHBondContact NZ-OE1 3.22Å; K457-E459 IonicContact NZ-OE2 3.23Å; K457-E459 PolarHBondContact O-N 3.11Å; K457-E459 VanDerWaalsContact O-N 3.15Å; K457-Y460 HydrophobicContact CB-CD2 3.75Å; K457-Y460 HydrophobicContact CB-CE2 3.77Å; K457-Y460 HydrophobicContact CB-CG 4.31Å; K457-Y460 HydrophobicContact CD-CE2 3.79Å; K457-Y460 HydrophobicContact CG-CD2 4.14Å; K457-Y460 HydrophobicContact CG-CE2 3.68Å; K457-Y460 PolarHBondContact O-N 2.68Å | ||
| 458 | P | 86.7 | Confident | 88.1 | Confident | 3 Ų | 3 | 41.3 Ų | 41.3 | 2% | 0.019 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -47.8 | -42.3 | 171.2 | -32 | 39.7 | 0 | 0 | 0 | 113 | L424 I428 Y460 V461 L464 M465 F617 | L424-P458 HydrophobicContact CD1-CG 4.38Å; I428-P458 HydrophobicContact CD1-CG 4.11Å; I428-P458 HydrophobicContact CG1-CB 4.49Å; I428-P458 HydrophobicContact CG1-CG 3.68Å; P458-Y460 PolarHBondContact O-N 3.03Å; P458-Y460 VanDerWaalsContact O-N 3.11Å; P458-V461 PolarHBondContact O-N 3.35Å; P458-V461 VanDerWaalsContact O-N 3.08Å; P458-L464 VanDerWaalsContact CA-CD2 3.48Å; P458-L464 HydrophobicContact CB-CD2 3.43Å; P458-L464 VanDerWaalsContact CB-CD2 3.43Å; P458-L464 HydrophobicContact CG-CD2 4.32Å; P458-M465 HydrophobicContact CB-SD 3.98Å; P458-F617 HydrophobicContact CB-CB 3.73Å; P458-F617 HydrophobicContact CB-CD1 3.8Å; P458-F617 HydrophobicContact CB-CD2 3.87Å; P458-F617 HydrophobicContact CB-CE1 4.36Å; P458-F617 HydrophobicContact CB-CE2 4.43Å; P458-F617 HydrophobicContact CB-CG 3.52Å; P458-F617 HydrophobicContact CG-CB 4.5Å; P458-F617 HydrophobicContact CG-CD1 4.17Å; P458-F617 HydrophobicContact CG-CD2 3.7Å; P458-F617 HydrophobicContact CG-CE1 4.3Å; P458-F617 HydrophobicContact CG-CE2 3.85Å; P458-F617 HydrophobicContact CG-CG 3.87Å; P458-F617 HydrophobicContact CG-CZ 4.14Å |
| 459 | E | 82.5 | Confident | 88.2 | Confident | 48 Ų | 48 | 37 Ų | 37 | 22% | 0.224 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -65.7 | -13 | -177.9 | 74.7 | -164.7 | -155 | 0 | 0 | 115.6 | K457 M465 | K457-E459 HydrophobicContact CB-CG 3.86Å; K457-E459 HydrophobicContact CD-CG 3.99Å; K457-E459 WeakPolarHBondContact CD-OE1 3.4Å; K457-E459 IonicContact NZ-OE1 3.93Å; K457-E459 PolarHBondContact NZ-OE1 3.22Å; K457-E459 IonicContact NZ-OE2 3.23Å; K457-E459 PolarHBondContact O-N 3.11Å; K457-E459 VanDerWaalsContact O-N 3.15Å; E459-M465 WeakPolarHBondContact CA-SD 3.5Å; E459-M465 HydrophobicContact CB-CE 3.92Å; E459-M465 HydrophobicContact CB-CG 4.32Å; E459-M465 HydrophobicContact CB-SD 3.95Å; E459-M465 PolarHBondContact N-SD 2.86Å |
| 460 | Y | 83.1 | Confident | 88.4 | Confident | 76 Ų | 76 | 30.6 Ų | 30.6 | 30% | 0.298 | 17% | 0.172 | S | C | . | . | G | 310 helix | trans | -97.5 | -4.8 | 177.3 | -54.9 | -31.6 | 0 | 0 | 0 | 113 | V259 K455 K457 P458 | V259-Y460 HydrophobicContact CB-CD2 4.45Å; V259-Y460 HydrophobicContact CB-CE2 4.48Å; V259-Y460 HydrophobicContact CG1-CD2 3.54Å; V259-Y460 HydrophobicContact CG1-CE2 4.02Å; V259-Y460 HydrophobicContact CG1-CG 3.85Å; V259-Y460 HydrophobicContact CG2-CD2 4.19Å; V259-Y460 HydrophobicContact CG2-CE2 3.78Å; K455-Y460 HydrophobicContact CD-CE2 4.49Å; K455-Y460 HydrophobicContact CG-CE2 4.43Å; K455-Y460 PolarHBondContact NZ-OH 3.2Å; K457-Y460 HydrophobicContact CB-CD2 3.75Å; K457-Y460 HydrophobicContact CB-CE2 3.77Å; K457-Y460 HydrophobicContact CB-CG 4.31Å; K457-Y460 HydrophobicContact CD-CE2 3.79Å; K457-Y460 HydrophobicContact CG-CD2 4.14Å; K457-Y460 HydrophobicContact CG-CE2 3.68Å; K457-Y460 PolarHBondContact O-N 2.68Å; P458-Y460 PolarHBondContact O-N 3.03Å; P458-Y460 VanDerWaalsContact O-N 3.11Å |
| 461 | V | 81.3 | Confident | 89 | Confident | 22 Ų | 22 | 29.4 Ų | 29.4 | 13% | 0.133 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -102.6 | 120.3 | -179 | -174.2 | 0 | 0 | 0 | 0 | 109 | M262 L424 P458 G463 L464 L621 | M262-V461 HydrophobicContact SD-CG2 4.32Å; L424-V461 HydrophobicContact CD2-CG2 4.21Å; P458-V461 PolarHBondContact O-N 3.35Å; P458-V461 VanDerWaalsContact O-N 3.08Å; V461-G463 PolarHBondContact O-N 2.95Å; V461-L464 HydrophobicContact CB-CB 4.11Å; V461-L464 HydrophobicContact CG1-CB 4.24Å; V461-L464 PolarHBondContact O-N 3.19Å; V461-L621 HydrophobicContact CG1-CD1 3.68Å; V461-L621 HydrophobicContact CG1-CD2 4.1Å |
| 462 | D | 74.4 | Confident | 89.3 | Confident | 119 Ų | 119 | 25 Ų | 25 | 64% | 0.636 | 14% | 0.139 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | 135.9 | -179.8 | -72.4 | -30.1 | 0 | 0 | 0 | 111.5 | L464 K566 | D462-L464 PolarHBondContact O-N 2.65Å; D462-K566 IonicContact OD1-NZ 3.38Å |
| 463 | G | 73.4 | Confident | 89.5 | Confident | 55 Ų | 55 | 24.4 Ų | 24.4 | 57% | 0.567 | 13% | 0.133 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 80.4 | -7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | V461 | V461-G463 PolarHBondContact O-N 2.95Š|
| 464 | L | 79.6 | Confident | 89.5 | Confident | 6 Ų | 6 | 24.3 Ų | 24.3 | 3% | 0.031 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -26.8 | -177.9 | -161.8 | 115.2 | 0 | 0 | 0 | 113.4 | I428 P458 V461 D462 F617 R619 L621 | I428-L464 HydrophobicContact CD1-CD1 4.43Å; I428-L464 HydrophobicContact CD1-CD2 3.77Å; P458-L464 VanDerWaalsContact CA-CD2 3.48Å; P458-L464 HydrophobicContact CB-CD2 3.43Å; P458-L464 VanDerWaalsContact CB-CD2 3.43Å; P458-L464 HydrophobicContact CG-CD2 4.32Å; V461-L464 HydrophobicContact CB-CB 4.11Å; V461-L464 HydrophobicContact CG1-CB 4.24Å; V461-L464 PolarHBondContact O-N 3.19Å; D462-L464 PolarHBondContact O-N 2.65Å; L464-F617 HydrophobicContact CD2-CB 4.22Å; L464-R619 WeakPolarHBondContact CD1-O 3.47Å; L464-L621 HydrophobicContact CD1-CB 3.73Å; L464-L621 HydrophobicContact CD1-CD1 4.19Å |
| 465 | M | 82.3 | Confident | 89.4 | Confident | 11 Ų | 11 | 24 Ų | 24 | 5% | 0.054 | 13% | 0.13 | C | C | . | . | B | Isolated β-bridge | trans | -84.6 | 138.1 | 176.5 | -60 | -63.9 | -74.2 | 0 | 0 | 111.4 | P458 E459 A567 L616 F617 | P458-M465 HydrophobicContact CB-SD 3.98Å; E459-M465 WeakPolarHBondContact CA-SD 3.5Å; E459-M465 HydrophobicContact CB-CE 3.92Å; E459-M465 HydrophobicContact CB-CG 4.32Å; E459-M465 HydrophobicContact CB-SD 3.95Å; E459-M465 PolarHBondContact N-SD 2.86Å; M465-A567 WeakPolarHBondContact CE-O 3.23Å; M465-L616 CarbonylContact C-O 3.55Å; M465-L616 WeakPolarHBondContact CA-O 3.45Å; M465-L616 HydrophobicContact CE-CB 4.26Å; M465-F617 HydrophobicContact CE-CD1 4.19Å; M465-F617 HydrophobicContact SD-CB 3.79Å; M465-F617 HydrophobicContact SD-CD1 3.98Å; M465-F617 HydrophobicContact SD-CG 4.31Å |
| 466 | D | 84.6 | Confident | 89.2 | Confident | 14 Ų | 14 | 22.6 Ų | 22.6 | 8% | 0.075 | 12% | 0.124 | C | C | . | . | P | Polyproline II helix | trans | -71.7 | 121.9 | 163.1 | -76 | -38.3 | 0 | 0 | 0 | 108.5 | F608 K611 L616 | D466-F608 HydrophobicContact CB-CD1 3.81Å; D466-F608 HydrophobicContact CB-CE1 3.57Å; D466-K611 IonicContact OD1-NZ 2.76Å; D466-K611 PolarHBondContact OD1-NZ 3.35Å; D466-K611 IonicContact OD2-NZ 2.64Å; D466-K611 PolarHBondContact OD2-NZ 2.91Å; D466-L616 HydrophobicContact CB-CB 4.48Å; D466-L616 HydrophobicContact CB-CD2 4.28Å; D466-L616 PolarHBondContact N-O 2.77Å |
| 467 | E | 88.5 | Confident | 89 | Confident | 69 Ų | 69 | 24.9 Ų | 24.9 | 32% | 0.322 | 13% | 0.133 | S | C | . | . | P | Polyproline II helix | trans | -100.7 | 140.8 | -176.6 | -64.1 | 169.6 | 146.2 | 0 | 0 | 110.6 | Q564 K566 | E467-Q564 HydrophobicContact CB-CG 4.06Å; E467-Q564 VanDerWaalsContact CD-NE2 3.31Å; E467-Q564 PolarHBondContact OE2-NE2 2.81Å; E467-K566 HydrophobicContact CG-CG 3.98Å; E467-K566 WeakPolarHBondContact OE1-CE 3.42Å; E467-K566 IonicContact OE1-NZ 3.21Å |
| 468 | L | 94.7 | Very high | 88.5 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 124.5 | -177.7 | -50.6 | 114.4 | 0 | 0 | 0 | 110.7 | L470 V565 L582 M600 L605 F608 L616 | L468-L470 HydrophobicContact CB-CD1 4.32Å; L468-L470 HydrophobicContact CB-CD2 4.08Å; L468-L470 HydrophobicContact CB-CG 3.99Å; L468-L470 PolarHBondContact O-N 2.82Å; L468-V565 PolarHBondContact N-O 3.33Å; L468-V565 PolarHBondContact O-N 3.15Å; L468-L582 HydrophobicContact CD1-CD1 3.92Å; L468-L582 HydrophobicContact CD1-CD2 4.01Å; L468-M600 HydrophobicContact CB-CE 3.79Å; L468-M600 HydrophobicContact CB-SD 4.17Å; L468-M600 HydrophobicContact CD2-CE 3.79Å; L468-M600 HydrophobicContact CD2-SD 3.63Å; L468-M600 HydrophobicContact CG-CE 4.08Å; L468-M600 HydrophobicContact CG-SD 4.42Å; L468-L605 HydrophobicContact CD2-CD1 4.01Å; L468-F608 HydrophobicContact CD2-CD2 4.43Å; L468-L616 HydrophobicContact CD1-CD1 3.68Å; L468-L616 HydrophobicContact CD1-CD2 4.31Å; L468-L616 HydrophobicContact CD2-CD2 4.48Å |
| 469 | D | 97.1 | Very high | 88.1 | Confident | 23 Ų | 23 | 30.4 Ų | 30.4 | 12% | 0.123 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 99.5 | 174.2 | -75.3 | -40.3 | 0 | 0 | 0 | 110.4 | I562 I563 R591 K594 M600 | D469-I562 HydrophobicContact CB-CG2 3.86Å; D469-I563 WeakPolarHBondContact CA-O 3.42Å; D469-R591 IonicContact OD1-CZ 2.83Å; D469-R591 IonicContact OD1-NH1 3.77Å; D469-R591 PolarHBondContact OD1-NH1 3.02Å; D469-R591 IonicContact OD2-CZ 3.17Å; D469-R591 IonicContact OD2-NH1 3.63Å; D469-R591 PolarHBondContact OD2-NH1 2.96Å; D469-K594 WeakPolarHBondContact OD2-CE 3.34Å; D469-K594 IonicContact OD2-NZ 3.34Å; D469-K594 PolarHBondContact OD2-NZ 3.44Å; D469-M600 WeakPolarHBondContact O-CB 3.47Å; D469-M600 PolarHBondContact O-N 2.8Å |
| 470 | L | 98.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 148.9 | -171.6 | -56.4 | 179.2 | 0 | 0 | 0 | 111.5 | L468 V491 V493 L509 I562 I563 V565 L582 M600 | L468-L470 HydrophobicContact CB-CD1 4.32Å; L468-L470 HydrophobicContact CB-CD2 4.08Å; L468-L470 HydrophobicContact CB-CG 3.99Å; L468-L470 PolarHBondContact O-N 2.82Å; L470-V491 HydrophobicContact CB-CB 4.15Å; L470-V491 HydrophobicContact CB-CG2 4.31Å; L470-V491 HydrophobicContact CD1-CG2 3.84Å; L470-V493 HydrophobicContact CD2-CG1 3.55Å; L470-L509 HydrophobicContact CD1-CD2 3.81Å; L470-L509 HydrophobicContact CD2-CD2 3.85Å; L470-I562 CarbonylContact O-C 3.59Å; L470-I562 WeakPolarHBondContact O-CA 3.17Å; L470-I563 PolarHBondContact N-O 3.17Å; L470-I563 WeakPolarHBondContact O-CG1 3.47Å; L470-I563 PolarHBondContact O-N 2.88Å; L470-V565 HydrophobicContact CB-CG2 4.47Å; L470-V565 HydrophobicContact CD1-CB 4.15Å; L470-V565 HydrophobicContact CD1-CG1 4.46Å; L470-V565 HydrophobicContact CD1-CG2 4.01Å; L470-V565 HydrophobicContact CG-CG2 4.39Å; L470-L582 HydrophobicContact CD1-CD1 3.88Å; L470-M600 HydrophobicContact CD2-CB 4.42Å; L470-M600 HydrophobicContact CD2-SD 4.21Å |
| 471 | L | 98.4 | Very high | 87.1 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 134.2 | 178.9 | -168.2 | 70.5 | 0 | 0 | 0 | 110.9 | V473 V491 A492 F506 P557 I562 W596 C599 | L471-V473 HydrophobicContact CD2-CG1 4.38Å; L471-V473 PolarHBondContact O-N 3.31Å; L471-V491 CarbonylContact O-C 3.43Å; L471-V491 WeakPolarHBondContact O-CA 3.47Å; L471-V491 WeakPolarHBondContact O-CB 3.36Å; L471-A492 PolarHBondContact N-O 3.34Å; L471-A492 VanDerWaalsContact N-O 3.08Å; L471-A492 PolarHBondContact O-N 3.3Å; L471-F506 HydrophobicContact CB-CE1 4.43Å; L471-F506 HydrophobicContact CD2-CD1 3.86Å; L471-F506 HydrophobicContact CD2-CE1 3.44Å; L471-F506 VanDerWaalsContact CD2-CE1 3.44Å; L471-F506 HydrophobicContact CD2-CE2 4.48Å; L471-F506 HydrophobicContact CD2-CZ 3.8Å; L471-P557 HydrophobicContact CD2-CB 3.69Å; L471-I562 HydrophobicContact CD1-CG1 3.7Å; L471-W596 HydrophobicContact CD1-CB 3.83Å; L471-C599 HydrophobicContact CB-CB 4.05Å; L471-C599 VanDerWaalsContact CB-SG 3.59Å; L471-C599 PolarHBondContact N-SG 2.85Å |
| 472 | I | 98.4 | Very high | 87 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 128.9 | 168 | -65.7 | 172.8 | 0 | 0 | 0 | 108.6 | F489 V491 L524 L528 W532 I555 S560 V561 I563 | I472-F489 HydrophobicContact CD1-CB 4.45Å; I472-F489 HydrophobicContact CD1-CD1 4.28Å; I472-F489 HydrophobicContact CD1-CD2 4.43Å; I472-F489 HydrophobicContact CD1-CG 4.13Å; I472-F489 HydrophobicContact CG1-CB 4.22Å; I472-F489 HydrophobicContact CG1-CG 4.42Å; I472-F489 HydrophobicContact CG2-CB 4.16Å; I472-F489 HydrophobicContact CG2-CD1 3.96Å; I472-F489 HydrophobicContact CG2-CG 4.33Å; I472-V491 HydrophobicContact CG1-CG1 4.19Å; I472-L524 HydrophobicContact CD1-CD2 3.99Å; I472-L528 HydrophobicContact CD1-CD1 4.3Å; I472-L528 HydrophobicContact CG2-CD1 4.39Å; I472-W532 HydrophobicContact CG2-CH2 3.88Å; I472-I555 HydrophobicContact CG2-CG2 4.48Å; I472-S560 VanDerWaalsContact O-CB 3.26Å; I472-S560 WeakPolarHBondContact O-CB 3.33Å; I472-S560 PolarHBondContact O-OG 3.28Å; I472-V561 PolarHBondContact N-O 2.95Å; I472-I563 HydrophobicContact CD1-CG2 3.83Å; I472-I563 HydrophobicContact CG1-CD1 4.2Å; I472-I563 HydrophobicContact CG1-CG1 4.28Å; I472-I563 HydrophobicContact CG1-CG2 4.22Å |
| 473 | V | 98.3 | Very high | 87.2 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | -12.8 | 177.5 | -65.7 | 0 | 0 | 0 | 0 | 113 | L471 L490 A492 F506 T508 I544 Y554 I555 | L471-V473 HydrophobicContact CD2-CG1 4.38Å; L471-V473 PolarHBondContact O-N 3.31Å; V473-L490 HydrophobicContact CG2-CB 4.49Å; V473-L490 HydrophobicContact CG2-CG 4.17Å; V473-L490 WeakPolarHBondContact CG2-O 3.21Å; V473-L490 PolarHBondContact N-O 2.96Å; V473-A492 HydrophobicContact CB-CB 4.34Å; V473-A492 HydrophobicContact CG1-CB 3.66Å; V473-A492 HydrophobicContact CG2-CB 3.71Å; V473-F506 HydrophobicContact CG1-CB 4.37Å; V473-T508 HydrophobicContact CG2-CG2 4.17Å; V473-I544 HydrophobicContact CB-CD1 3.99Å; V473-I544 HydrophobicContact CB-CG1 4.2Å; V473-I544 HydrophobicContact CB-CG2 3.98Å; V473-I544 HydrophobicContact CG1-CG1 4.4Å; V473-I544 HydrophobicContact CG2-CG2 3.92Å; V473-Y554 WeakPolarHBondContact O-CA 3.43Å; V473-Y554 WeakPolarHBondContact O-CB 3.44Å; V473-I555 PolarHBondContact O-N 3.15Å; V473-I555 VanDerWaalsContact O-N 3.12Å |
| 474 | G | 97.5 | Very high | 87.4 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 168.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | F489 L490 V553 | G474-F489 CarbonylContact O-C 3.46Å; G474-F489 VanDerWaalsContact O-CA 3.28Å; G474-F489 WeakPolarHBondContact O-CA 3.18Å; G474-L490 PolarHBondContact N-O 2.92Å; G474-L490 VanDerWaalsContact N-O 3.11Å; G474-L490 PolarHBondContact O-N 3.26Å; G474-V553 CarbonylContact C-O 3.6Å; G474-V553 WeakPolarHBondContact CA-O 3.49Å |
| 475 | G | 96.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 153.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | M486 H488 E552 V553 | G475-M486 WeakPolarHBondContact CA-SD 3.41Å; G475-H488 CarbonylContact C-O 3.55Å; G475-H488 WeakPolarHBondContact CA-O 3.47Å; G475-E552 PolarHBondContact O-N 3.22Å; G475-V553 PolarHBondContact N-O 3.2Å; G475-V553 PolarHBondContact O-N 3.32Å |
| 476 | Y | 93.1 | Very high | 88 | Confident | 12 Ų | 12 | 35.9 Ų | 35.9 | 5% | 0.047 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 133.6 | 169.7 | -50 | -100.6 | 0 | 0 | 0 | 111 | M486 S487 H488 L490 R511 E549 R550 P551 E552 | Y476-M486 PolarHBondContact N-SD 3.35Å; Y476-M486 VanDerWaalsContact O-SD 3.38Å; Y476-S487 PolarHBondContact O-N 3.23Å; Y476-H488 HydrophobicContact CD2-CB 3.93Å; Y476-H488 WeakPolarHBondContact CD2-O 3.32Å; Y476-H488 HydrophobicContact CG-CB 4.38Å; Y476-H488 PolarHBondContact N-O 3.49Å; Y476-H488 PolarHBondContact O-N 3.26Å; Y476-L490 HydrophobicContact CE2-CB 3.97Å; Y476-R511 HydrophobicContact CD2-CG 4.04Å; Y476-R511 HydrophobicContact CE2-CG 3.66Å; Y476-E549 WeakPolarHBondContact OH-CG 3.43Å; Y476-E549 PolarHBondContact OH-OE1 3.22Å; Y476-R550 VanDerWaalsContact CE1-O 3.24Å; Y476-R550 WeakPolarHBondContact CE1-O 3.35Å; Y476-R550 PolarHBondContact OH-O 3.4Å; Y476-P551 HydrophobicContact CE2-CB 4.44Å; Y476-E552 HydrophobicContact CD1-CG 4.17Å |
| 477 | W | 89.1 | Confident | 88 | Confident | 54 Ų | 54 | 35.3 Ų | 35.3 | 21% | 0.205 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 138.1 | 176.7 | -66.7 | 111.1 | 0 | 0 | 0 | 111.5 | R119 P121 G484 M486 E552 | R119-W477 HydrophobicContact CB-CB 3.78Å; R119-W477 WeakPolarHBondContact O-CB 3.1Å; P121-W477 HydrophobicContact CG-CD2 4.42Å; P121-W477 HydrophobicContact CG-CE3 4.11Å; P121-W477 HydrophobicContact CG-CH2 3.82Å; P121-W477 HydrophobicContact CG-CZ2 4.13Å; P121-W477 HydrophobicContact CG-CZ3 3.81Å; W477-G484 WeakPolarHBondContact CZ3-O 3.36Å; W477-M486 HydrophobicContact CD2-CE 4.15Å; W477-M486 HydrophobicContact CD2-SD 4.49Å; W477-M486 HydrophobicContact CE3-CE 4.27Å; W477-M486 HydrophobicContact CH2-CE 4.06Å; W477-M486 HydrophobicContact CZ2-CE 3.93Å; W477-M486 HydrophobicContact CZ3-CE 4.23Å; W477-E552 WeakPolarHBondContact CB-OE2 3.35Å; W477-E552 PolarHBondContact N-OE2 2.83Å |
| 478 | G | 82.3 | Confident | 88.2 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.01 | 17% | 0.171 | C | C | . | . | B | Isolated β-bridge | trans | -76.3 | 170.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | R482 M485 S487 | G478-R482 CarbonylContact C-O 3.51Å; G478-R482 VanDerWaalsContact CA-O 3.27Å; G478-R482 WeakPolarHBondContact CA-O 3.31Å; G478-M485 PolarHBondContact N-O 2.92Å; G478-S487 WeakPolarHBondContact CA-OG 3.47Å; G478-S487 PolarHBondContact N-OG 3.42Å |
| 479 | K | 76.6 | Confident | 88.3 | Confident | 128 Ų | 128 | 35 Ų | 35 | 56% | 0.557 | 17% | 0.171 | S | C | * | . | trans | -129.5 | 157.7 | 176.9 | 65.4 | 178.2 | -175.8 | 175.1 | 0 | 110.9 | R481 R482 | K479-R481 PolarHBondContact O-N 3.37Å; K479-R482 PolarHBondContact O-N 3.08Å | ||
| 480 | G | 75.8 | Confident | 88.3 | Confident | 32 Ų | 32 | 34 Ų | 34 | 33% | 0.33 | 17% | 0.165 | S | C | . | . | G | 310 helix | trans | 56.7 | -124 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | G129 R482 G483 | G129-G480 PolarHBondContact O-N 3.47Å; G480-R482 PolarHBondContact O-N 3.33Å; G480-R482 VanDerWaalsContact O-N 3.12Å; G480-G483 PolarHBondContact O-N 3.46Å |
| 481 | R | 69.9 | Low | 88.3 | Confident | 242 Ų | 242 | 34 Ų | 34 | 91% | 0.913 | 17% | 0.165 | S | C | * | . | G | 310 helix | trans | -61.9 | -19 | -178.3 | -65.9 | -173.8 | -178.2 | -176.6 | -0 | 114.7 | K479 | K479-R481 PolarHBondContact O-N 3.37Š|
| 482 | R | 78.8 | Confident | 88.3 | Confident | 72 Ų | 72 | 34 Ų | 34 | 27% | 0.272 | 17% | 0.165 | S | C | . | . | G | 310 helix | trans | -104.7 | 13.7 | 176.5 | -58.3 | -178.3 | -177.7 | 167.8 | -3.2 | 112.2 | G478 K479 G480 M485 G513 Y516 M518 L521 | G478-R482 CarbonylContact C-O 3.51Å; G478-R482 VanDerWaalsContact CA-O 3.27Å; G478-R482 WeakPolarHBondContact CA-O 3.31Å; K479-R482 PolarHBondContact O-N 3.08Å; G480-R482 PolarHBondContact O-N 3.33Å; G480-R482 VanDerWaalsContact O-N 3.12Å; R482-M485 PolarHBondContact O-N 2.7Å; R482-G513 PolarHBondContact NH1-O 3.24Å; R482-Y516 PolarHBondContact NH1-OH 2.92Å; R482-M518 HydrophobicContact CG-CE 4.39Å; R482-M518 HydrophobicContact CG-SD 4.08Å; R482-L521 HydrophobicContact CG-CD2 4.34Å |
| 483 | G | 79.4 | Confident | 88.3 | Confident | 25 Ų | 25 | 34 Ų | 34 | 26% | 0.258 | 17% | 0.165 | S | C | . | . | B | Isolated β-bridge | trans | -58.4 | 140 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | A128 G480 M485 | A128-G483 CarbonylContact O-C 2.93Å; A128-G483 WeakPolarHBondContact O-CA 3.24Å; G480-G483 PolarHBondContact O-N 3.46Å; G483-M485 PolarHBondContact O-N 2.7Å |
| 484 | G | 77.8 | Confident | 88.3 | Confident | 31 Ų | 31 | 34 Ų | 34 | 32% | 0.32 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.4 | -1.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | W477 | W477-G484 WeakPolarHBondContact CZ3-O 3.36Š|
| 485 | M | 84.5 | Confident | 88.2 | Confident | 43 Ų | 43 | 37.4 Ų | 37.4 | 21% | 0.212 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -116.5 | 153.6 | 175.4 | -60.5 | 175.5 | 67.1 | 0 | 0 | 111 | G478 R482 G483 S487 M518 L521 Y522 | G478-M485 PolarHBondContact N-O 2.92Å; R482-M485 PolarHBondContact O-N 2.7Å; G483-M485 PolarHBondContact O-N 2.7Å; M485-S487 PolarHBondContact O-N 3.32Å; M485-M518 HydrophobicContact SD-CE 4.44Å; M485-L521 HydrophobicContact CE-CB 4.48Å; M485-L521 HydrophobicContact CE-CD2 4.33Å; M485-L521 HydrophobicContact CE-CG 4.14Å; M485-Y522 HydrophobicContact CE-CD2 3.79Å; M485-Y522 HydrophobicContact CE-CG 4.23Å; M485-Y522 HydrophobicContact SD-CD2 4.46Å |
| 486 | M | 89 | Confident | 87.9 | Confident | 8 Ų | 8 | 41 Ų | 41 | 4% | 0.039 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 119.9 | 165.8 | -150.8 | 62 | 65.7 | 0 | 0 | 108.4 | G475 Y476 W477 F489 L521 W532 V553 | G475-M486 WeakPolarHBondContact CA-SD 3.41Å; Y476-M486 PolarHBondContact N-SD 3.35Å; Y476-M486 VanDerWaalsContact O-SD 3.38Å; W477-M486 HydrophobicContact CD2-CE 4.15Å; W477-M486 HydrophobicContact CD2-SD 4.49Å; W477-M486 HydrophobicContact CE3-CE 4.27Å; W477-M486 HydrophobicContact CH2-CE 4.06Å; W477-M486 HydrophobicContact CZ2-CE 3.93Å; W477-M486 HydrophobicContact CZ3-CE 4.23Å; M486-F489 HydrophobicContact CB-CE1 3.94Å; M486-F489 HydrophobicContact CB-CZ 4.32Å; M486-F489 HydrophobicContact CG-CD1 4.12Å; M486-F489 HydrophobicContact CG-CE1 3.6Å; M486-F489 HydrophobicContact CG-CZ 4.37Å; M486-L521 VanDerWaalsContact O-CD1 3.25Å; M486-L521 WeakPolarHBondContact O-CD1 3.48Å; M486-W532 HydrophobicContact CE-CD2 4.33Å; M486-W532 HydrophobicContact CE-CG 4.39Å; M486-W532 HydrophobicContact CG-CZ2 4.16Å; M486-V553 HydrophobicContact CE-CG2 3.32Å; M486-V553 HydrophobicContact SD-CG2 4.05Å |
| 487 | S | 85.4 | Confident | 87.7 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.007 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | -21.5 | -171.9 | 67.4 | 0 | 0 | 0 | 0 | 113.5 | Y476 G478 M485 Y516 | Y476-S487 PolarHBondContact O-N 3.23Å; G478-S487 WeakPolarHBondContact CA-OG 3.47Å; G478-S487 PolarHBondContact N-OG 3.42Å; M485-S487 PolarHBondContact O-N 3.32Å; S487-Y516 PolarHBondContact O-OH 3.28Å |
| 488 | H | 91.9 | Very high | 87.7 | Confident | 64 Ų | 64 | 47.1 Ų | 47.1 | 30% | 0.296 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 145 | 172.1 | -53.9 | 63.7 | 0 | 0 | 0 | 107.5 | G475 Y476 R511 I512 | G475-H488 CarbonylContact C-O 3.55Å; G475-H488 WeakPolarHBondContact CA-O 3.47Å; Y476-H488 HydrophobicContact CD2-CB 3.93Å; Y476-H488 WeakPolarHBondContact CD2-O 3.32Å; Y476-H488 HydrophobicContact CG-CB 4.38Å; Y476-H488 PolarHBondContact N-O 3.49Å; Y476-H488 PolarHBondContact O-N 3.26Å; H488-R511 HydrophobicContact CB-CG 4.08Å; H488-I512 CarbonylContact C-O 3.58Å; H488-I512 VanDerWaalsContact CA-O 3.23Å; H488-I512 WeakPolarHBondContact CA-O 3.49Å |
| 489 | F | 96.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 136.1 | -179.3 | -57.1 | -72.2 | 0 | 0 | 0 | 109.1 | I472 G474 M486 V491 R511 I512 Y516 L521 L524 W532 I587 | I472-F489 HydrophobicContact CD1-CB 4.45Å; I472-F489 HydrophobicContact CD1-CD1 4.28Å; I472-F489 HydrophobicContact CD1-CD2 4.43Å; I472-F489 HydrophobicContact CD1-CG 4.13Å; I472-F489 HydrophobicContact CG1-CB 4.22Å; I472-F489 HydrophobicContact CG1-CG 4.42Å; I472-F489 HydrophobicContact CG2-CB 4.16Å; I472-F489 HydrophobicContact CG2-CD1 3.96Å; I472-F489 HydrophobicContact CG2-CG 4.33Å; G474-F489 CarbonylContact O-C 3.46Å; G474-F489 VanDerWaalsContact O-CA 3.28Å; G474-F489 WeakPolarHBondContact O-CA 3.18Å; M486-F489 HydrophobicContact CB-CE1 3.94Å; M486-F489 HydrophobicContact CB-CZ 4.32Å; M486-F489 HydrophobicContact CG-CD1 4.12Å; M486-F489 HydrophobicContact CG-CE1 3.6Å; M486-F489 HydrophobicContact CG-CZ 4.37Å; F489-V491 HydrophobicContact CB-CG1 4.43Å; F489-R511 CarbonylContact O-C 3.48Å; F489-R511 WeakPolarHBondContact O-CA 3.42Å; F489-I512 PolarHBondContact N-O 3.49Å; F489-I512 PolarHBondContact O-N 3.12Å; F489-Y516 HydrophobicContact CE2-CE1 4.35Å; F489-L521 HydrophobicContact CE2-CD1 3.79Å; F489-L521 HydrophobicContact CZ-CD1 3.91Å; F489-L524 HydrophobicContact CE2-CD2 3.88Å; F489-L524 HydrophobicContact CZ-CD2 3.84Å; F489-L524 HydrophobicContact CZ-CG 4.45Å; F489-W532 HydrophobicContact CD1-CH2 4.34Å; F489-W532 HydrophobicContact CD1-CZ2 4.36Å; F489-W532 HydrophobicContact CE1-CZ2 4.15Å; F489-I587 HydrophobicContact CD2-CD1 4.35Å |
| 490 | L | 98.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 127.2 | 164.7 | -175.3 | 61.2 | 0 | 0 | 0 | 107.1 | V473 G474 Y476 T508 E549 P551 Y576 | V473-L490 HydrophobicContact CG2-CB 4.49Å; V473-L490 HydrophobicContact CG2-CG 4.17Å; V473-L490 WeakPolarHBondContact CG2-O 3.21Å; V473-L490 PolarHBondContact N-O 2.96Å; G474-L490 PolarHBondContact N-O 2.92Å; G474-L490 VanDerWaalsContact N-O 3.11Å; G474-L490 PolarHBondContact O-N 3.26Å; Y476-L490 HydrophobicContact CE2-CB 3.97Å; L490-T508 HydrophobicContact CD1-CG2 4.24Å; L490-T508 HydrophobicContact CD2-CG2 3.7Å; L490-T508 HydrophobicContact CG-CG2 3.89Å; L490-E549 HydrophobicContact CD1-CG 4.48Å; L490-P551 HydrophobicContact CB-CB 4.26Å; L490-P551 HydrophobicContact CD2-CB 3.94Å; L490-P551 HydrophobicContact CD2-CG 3.79Å; L490-Y576 HydrophobicContact CD1-CD1 4.19Å; L490-Y576 HydrophobicContact CD1-CE1 3.87Å |
| 491 | V | 98.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 154.5 | -177.3 | -60.1 | 0 | 0 | 0 | 0 | 110.9 | L470 L471 I472 F489 L509 C510 I512 I563 | L470-V491 HydrophobicContact CB-CB 4.15Å; L470-V491 HydrophobicContact CB-CG2 4.31Å; L470-V491 HydrophobicContact CD1-CG2 3.84Å; L471-V491 CarbonylContact O-C 3.43Å; L471-V491 WeakPolarHBondContact O-CA 3.47Å; L471-V491 WeakPolarHBondContact O-CB 3.36Å; I472-V491 HydrophobicContact CG1-CG1 4.19Å; F489-V491 HydrophobicContact CB-CG1 4.43Å; V491-L509 PolarHBondContact O-N 3.22Å; V491-C510 WeakPolarHBondContact CG2-O 3.37Å; V491-C510 WeakPolarHBondContact CG2-SG 3.1Å; V491-C510 PolarHBondContact N-O 2.8Å; V491-I512 HydrophobicContact CG1-CD1 4.34Å; V491-I512 HydrophobicContact CG2-CD1 3.86Å; V491-I512 HydrophobicContact CG2-CG1 4.17Å; V491-I563 HydrophobicContact CG1-CD1 3.6Å; V491-I563 HydrophobicContact CG1-CG1 4.31Å |
| 492 | A | 98.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 163.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L471 V473 F506 H507 C599 | L471-A492 PolarHBondContact N-O 3.34Å; L471-A492 VanDerWaalsContact N-O 3.08Å; L471-A492 PolarHBondContact O-N 3.3Å; V473-A492 HydrophobicContact CB-CB 4.34Å; V473-A492 HydrophobicContact CG1-CB 3.66Å; V473-A492 HydrophobicContact CG2-CB 3.71Å; A492-F506 HydrophobicContact CB-CB 3.93Å; A492-H507 WeakPolarHBondContact CA-O 3.3Å; A492-H507 WeakPolarHBondContact CB-O 3.17Å; A492-C599 PolarHBondContact O-SG 3.5Å; A492-C599 VanDerWaalsContact O-SG 3.41Å |
| 493 | V | 98.2 | Very high | 91 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 155 | 167.2 | -66.4 | 0 | 0 | 0 | 0 | 109.6 | L470 F506 H507 L509 T578 M600 L602 L605 | L470-V493 HydrophobicContact CD2-CG1 3.55Å; V493-F506 CarbonylContact O-C 3.51Å; V493-F506 VanDerWaalsContact O-CA 3.27Å; V493-F506 WeakPolarHBondContact O-CA 3.4Å; V493-H507 HydrophobicContact CG2-CB 4.27Å; V493-H507 PolarHBondContact N-O 3.24Å; V493-H507 PolarHBondContact O-N 3Å; V493-L509 HydrophobicContact CG1-CD2 4.13Å; V493-T578 HydrophobicContact CG2-CG2 3.66Å; V493-M600 CarbonylContact C-O 3.54Å; V493-M600 WeakPolarHBondContact CA-O 3.48Å; V493-M600 WeakPolarHBondContact CB-O 3.38Å; V493-M600 HydrophobicContact CG1-CB 4.38Å; V493-M600 HydrophobicContact CG1-CG 4.15Å; V493-M600 HydrophobicContact CG1-SD 4.34Å; V493-L602 HydrophobicContact CG2-CD2 3.58Å; V493-L602 HydrophobicContact CG2-CG 3.97Å; V493-L605 HydrophobicContact CG1-CD2 4.28Å; V493-L605 HydrophobicContact CG2-CD2 4.18Å |
| 494 | A | 97.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 147.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | P503 F506 M600 T601 L602 | A494-P503 HydrophobicContact CB-CB 3.77Å; A494-P503 HydrophobicContact CB-CG 3.92Å; A494-F506 HydrophobicContact CB-CD1 4.03Å; A494-F506 HydrophobicContact CB-CE1 3.73Å; A494-F506 HydrophobicContact CB-CZ 4.37Å; A494-M600 PolarHBondContact N-O 3.24Å; A494-T601 CarbonylContact O-C 3.53Å; A494-T601 VanDerWaalsContact O-CA 3.24Å; A494-T601 WeakPolarHBondContact O-CA 3.35Å; A494-L602 PolarHBondContact O-N 3.04Å |
| 495 | E | 95.6 | Very high | 92.7 | Very high | 73 Ų | 73 | 49.9 Ų | 49.9 | 34% | 0.341 | 30% | 0.295 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 142.1 | 153.6 | -69 | -170.2 | 168.1 | 0 | 0 | 109.3 | P497 V505 H507 L602 | E495-P497 WeakPolarHBondContact O-CD 3.27Å; E495-V505 HydrophobicContact CB-CB 4.31Å; E495-V505 HydrophobicContact CG-CB 4Å; E495-V505 HydrophobicContact CG-CG1 4Å; E495-V505 PolarHBondContact N-O 3.38Å; E495-V505 WeakPolarHBondContact OE2-CB 3.34Å; E495-H507 VanDerWaalsContact CD-NE2 3.33Å; E495-H507 WeakPolarHBondContact CG-NE2 3.37Å; E495-H507 IonicContact OE1-CD2 2.74Å; E495-H507 IonicContact OE1-CE1 2.8Å; E495-H507 PolarHBondContact OE1-CE1 3.48Å; E495-H507 IonicContact OE1-NE2 3.54Å; E495-H507 PolarHBondContact OE1-NE2 2.9Å; E495-L602 HydrophobicContact CG-CD1 4.02Å |
| 496 | A | 90.7 | Very high | 93.3 | Very high | 74 Ų | 74 | 47.9 Ų | 47.9 | 61% | 0.612 | 29% | 0.286 | S | S | * | . | P | Polyproline II helix | trans | -62.7 | 120.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||
| 497 | P | 87.8 | Confident | 93.8 | Very high | 52 Ų | 52 | 48.4 Ų | 48.4 | 34% | 0.338 | 29% | 0.288 | S | S | . | . | P | Polyproline II helix | trans | -72.4 | 162.5 | 177.6 | 30.9 | -33.3 | 0 | 0 | 0 | 110.1 | E495 E501 P503 | E495-P497 WeakPolarHBondContact O-CD 3.27Å; P497-E501 HydrophobicContact CB-CB 4.28Å; P497-E501 WeakPolarHBondContact CB-O 3.34Å; P497-E501 WeakPolarHBondContact CG-O 3.46Å; P497-P503 HydrophobicContact CG-CG 4.04Å |
| 498 | K | 88.4 | Confident | 94.4 | Very high | 144 Ų | 144 | 48.3 Ų | 48.3 | 63% | 0.626 | 29% | 0.288 | S | S | * | . | P | Polyproline II helix | trans | -61 | 150.9 | 165.8 | -65.9 | 177.1 | -175.5 | 172.4 | 0 | 109.6 | G500 E501 | K498-G500 PolarHBondContact O-N 3.12Å; K498-E501 HydrophobicContact CB-CG 4.38Å; K498-E501 PolarHBondContact O-N 2.84Å |
| 499 | P | 86 | Confident | 94.6 | Very high | 139 Ų | 139 | 45.3 Ų | 45.3 | 90% | 0.903 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | 125.7 | 178.1 | -26.7 | 34.7 | 0 | 0 | 0 | 111.8 | ||
| 500 | G | 86.2 | Confident | 94.6 | Very high | 92 Ų | 92 | 45.3 Ų | 45.3 | 95% | 0.948 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88 | -9.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | K498 | K498-G500 PolarHBondContact O-N 3.12Š|
| 501 | E | 92.6 | Very high | 94.5 | Very high | 116 Ų | 116 | 50.7 Ų | 50.7 | 54% | 0.542 | 29% | 0.294 | S | S | . | . | P | Polyproline II helix | trans | -96.6 | 159.6 | 176.1 | -65.9 | 179.6 | -164.5 | 0 | 0 | 111.9 | P497 K498 | P497-E501 HydrophobicContact CB-CB 4.28Å; P497-E501 WeakPolarHBondContact CB-O 3.34Å; P497-E501 WeakPolarHBondContact CG-O 3.46Å; K498-E501 HydrophobicContact CB-CG 4.38Å; K498-E501 PolarHBondContact O-N 2.84Å |
| 502 | K | 94.3 | Very high | 94.3 | Very high | 119 Ų | 119 | 50.7 Ų | 50.7 | 52% | 0.517 | 29% | 0.294 | S | S | . | . | P | Polyproline II helix | trans | -90.6 | 150.3 | 170.8 | -64.6 | -178.6 | -179 | -176.7 | 0 | 109.5 | S504 W596 H597 | K502-S504 PolarHBondContact O-N 2.94Å; K502-W596 HydrophobicContact CB-CH2 3.78Å; K502-W596 HydrophobicContact CB-CZ2 4.12Å; K502-W596 HydrophobicContact CD-CH2 4.26Å; K502-W596 HydrophobicContact CD-CZ2 3.69Å; K502-W596 HydrophobicContact CG-CZ2 4.49Å; K502-H597 HydrophobicContact CB-CB 4.08Å; K502-H597 HydrophobicContact CD-CB 4.22Å; K502-H597 HydrophobicContact CG-CB 4.05Å |
| 503 | P | 95.1 | Very high | 93.7 | Very high | 8 Ų | 8 | 51.4 Ų | 51.4 | 5% | 0.052 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -59.8 | 134.8 | 177.8 | -18.5 | 29.9 | 0 | 0 | 0 | 111.7 | A494 P497 F506 W596 H597 | A494-P503 HydrophobicContact CB-CB 3.77Å; A494-P503 HydrophobicContact CB-CG 3.92Å; P497-P503 HydrophobicContact CG-CG 4.04Å; P503-F506 HydrophobicContact CB-CE1 4.48Å; P503-F506 HydrophobicContact CB-CE2 4.17Å; P503-F506 HydrophobicContact CB-CZ 3.83Å; P503-F506 HydrophobicContact CG-CZ 4.5Å; P503-W596 WeakPolarHBondContact O-CH2 3.2Å; P503-W596 VanDerWaalsContact O-CZ3 3.22Å; P503-W596 WeakPolarHBondContact O-CZ3 3.25Å; P503-H597 HydrophobicContact CG-CB 4.49Å |
| 504 | S | 94.4 | Very high | 93.1 | Very high | 87 Ų | 87 | 53.5 Ų | 53.5 | 61% | 0.608 | 32% | 0.316 | S | S | * | . | trans | -106.1 | -23.4 | 178.6 | 54.8 | 0 | 0 | 0 | 0 | 113 | K502 S543 | K502-S504 PolarHBondContact O-N 2.94Å; S504-S543 WeakPolarHBondContact O-CA 3.46Å; S504-S543 VanDerWaalsContact O-CB 3.28Å; S504-S543 WeakPolarHBondContact O-CB 3.37Å | ||
| 505 | V | 97.2 | Very high | 92.2 | Very high | 27 Ų | 27 | 55.6 Ų | 55.6 | 16% | 0.164 | 34% | 0.338 | C | S | . | . | trans | -123.1 | 134.4 | -174.9 | -177.6 | 0 | 0 | 0 | 0 | 110.4 | E495 L545 | E495-V505 HydrophobicContact CB-CB 4.31Å; E495-V505 HydrophobicContact CG-CB 4Å; E495-V505 HydrophobicContact CG-CG1 4Å; E495-V505 PolarHBondContact N-O 3.38Å; E495-V505 WeakPolarHBondContact OE2-CB 3.34Å; V505-L545 HydrophobicContact CG1-CD1 3.58Å; V505-L545 HydrophobicContact CG1-CG 3.73Å | ||
| 506 | F | 98.2 | Very high | 91.6 | Very high | 1 Ų | 1 | 53.2 Ų | 53.2 | 0% | 0.004 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 135.4 | -178.1 | -68.2 | -97 | 0 | 0 | 0 | 111.1 | L471 V473 A492 V493 A494 P503 S543 L545 P557 W596 C599 | L471-F506 HydrophobicContact CB-CE1 4.43Å; L471-F506 HydrophobicContact CD2-CD1 3.86Å; L471-F506 HydrophobicContact CD2-CE1 3.44Å; L471-F506 VanDerWaalsContact CD2-CE1 3.44Å; L471-F506 HydrophobicContact CD2-CE2 4.48Å; L471-F506 HydrophobicContact CD2-CZ 3.8Å; V473-F506 HydrophobicContact CG1-CB 4.37Å; A492-F506 HydrophobicContact CB-CB 3.93Å; V493-F506 CarbonylContact O-C 3.51Å; V493-F506 VanDerWaalsContact O-CA 3.27Å; V493-F506 WeakPolarHBondContact O-CA 3.4Å; A494-F506 HydrophobicContact CB-CD1 4.03Å; A494-F506 HydrophobicContact CB-CE1 3.73Å; A494-F506 HydrophobicContact CB-CZ 4.37Å; P503-F506 HydrophobicContact CB-CE1 4.48Å; P503-F506 HydrophobicContact CB-CE2 4.17Å; P503-F506 HydrophobicContact CB-CZ 3.83Å; P503-F506 HydrophobicContact CG-CZ 4.5Å; F506-S543 PolarHBondContact N-O 2.68Å; F506-L545 PolarHBondContact O-N 3.12Å; F506-P557 HydrophobicContact CD2-CB 3.84Å; F506-P557 HydrophobicContact CD2-CG 3.45Å; F506-P557 VanDerWaalsContact CD2-CG 3.45Å; F506-P557 HydrophobicContact CE2-CB 3.38Å; F506-P557 HydrophobicContact CE2-CG 3.53Å; F506-P557 HydrophobicContact CG-CG 4.27Å; F506-P557 HydrophobicContact CZ-CB 3.82Å; F506-P557 HydrophobicContact CZ-CG 4.38Å; F506-W596 HydrophobicContact CE2-CE3 4.37Å; F506-W596 AromaticContact CE2-CZ3 3.99Å; F506-W596 HydrophobicContact CE2-CZ3 3.99Å; F506-W596 AromaticContact CZ-CE3 3.83Å; F506-W596 HydrophobicContact CZ-CE3 3.83Å; F506-W596 AromaticContact CZ-CZ3 3.75Å; F506-W596 HydrophobicContact CZ-CZ3 3.75Å; F506-C599 HydrophobicContact CE1-CB 4.15Å |
| 507 | H | 98.4 | Very high | 91 | Very high | 19 Ų | 19 | 53.4 Ų | 53.4 | 9% | 0.088 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 123 | -178 | -70.9 | -122.3 | 0 | 0 | 0 | 110.3 | A492 V493 E495 K577 T578 L602 | A492-H507 WeakPolarHBondContact CA-O 3.3Å; A492-H507 WeakPolarHBondContact CB-O 3.17Å; V493-H507 HydrophobicContact CG2-CB 4.27Å; V493-H507 PolarHBondContact N-O 3.24Å; V493-H507 PolarHBondContact O-N 3Å; E495-H507 VanDerWaalsContact CD-NE2 3.33Å; E495-H507 WeakPolarHBondContact CG-NE2 3.37Å; E495-H507 IonicContact OE1-CD2 2.74Å; E495-H507 IonicContact OE1-CE1 2.8Å; E495-H507 PolarHBondContact OE1-CE1 3.48Å; E495-H507 IonicContact OE1-NE2 3.54Å; E495-H507 PolarHBondContact OE1-NE2 2.9Å; H507-K577 HydrophobicContact CB-CB 4.23Å; H507-K577 HydrophobicContact CB-CG 4.14Å; H507-K577 VanDerWaalsContact ND1-CG 3.27Å; H507-K577 WeakPolarHBondContact ND1-CG 3.39Å; H507-T578 HydrophobicContact CB-CG2 3.81Å; H507-L602 HydrophobicContact CB-CD2 4.15Å |
| 508 | T | 98.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 141.3 | -179.6 | 62.6 | 0 | 0 | 0 | 0 | 111.9 | V473 L490 I544 L545 C546 Y576 K577 T578 | V473-T508 HydrophobicContact CG2-CG2 4.17Å; L490-T508 HydrophobicContact CD1-CG2 4.24Å; L490-T508 HydrophobicContact CD2-CG2 3.7Å; L490-T508 HydrophobicContact CG-CG2 3.89Å; T508-I544 HydrophobicContact CG2-CG2 4.11Å; T508-L545 WeakPolarHBondContact CG2-O 3.43Å; T508-L545 PolarHBondContact N-O 2.9Å; T508-L545 VanDerWaalsContact N-O 3.07Å; T508-C546 HydrophobicContact CG2-CB 4.24Å; T508-C546 VanDerWaalsContact CG2-SG 3.52Å; T508-Y576 WeakPolarHBondContact O-CB 3.32Å; T508-K577 PolarHBondContact O-N 2.96Å; T508-K577 VanDerWaalsContact O-N 3.13Å; T508-K577 PolarHBondContact OG1-N 3.42Å; T508-T578 WeakPolarHBondContact O-CG2 3.49Å; T508-T578 PolarHBondContact O-N 3.31Å; T508-T578 PolarHBondContact O-OG1 2.94Å |
| 509 | L | 97.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | -52.2 | -175.2 | 177.3 | 59.9 | 0 | 0 | 0 | 112.8 | L470 V491 V493 Y576 T578 T581 L582 L605 | L470-L509 HydrophobicContact CD1-CD2 3.81Å; L470-L509 HydrophobicContact CD2-CD2 3.85Å; V491-L509 PolarHBondContact O-N 3.22Å; V493-L509 HydrophobicContact CG1-CD2 4.13Å; L509-Y576 VanDerWaalsContact O-CD2 3.26Å; L509-Y576 WeakPolarHBondContact O-CD2 3.48Å; L509-T578 HydrophobicContact CB-CG2 4.35Å; L509-T578 HydrophobicContact CD1-CG2 4.26Å; L509-T578 WeakPolarHBondContact CD1-OG1 3.4Å; L509-T581 WeakPolarHBondContact O-CA 3.32Å; L509-T581 WeakPolarHBondContact O-CB 3.25Å; L509-T581 PolarHBondContact O-OG1 2.93Å; L509-L582 HydrophobicContact CD2-CD1 4.27Å; L509-L582 HydrophobicContact CD2-CD2 4.4Å; L509-L582 HydrophobicContact CD2-CG 4.17Å; L509-L582 HydrophobicContact CG-CG 4.33Å; L509-L605 HydrophobicContact CD1-CD1 4.41Å; L509-L605 HydrophobicContact CD1-CD2 3.83Å; L509-L605 HydrophobicContact CD2-CD1 4.05Å; L509-L605 HydrophobicContact CD2-CD2 4.28Å |
| 510 | C | 96.1 | Very high | 89.8 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.007 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 168.9 | -179.5 | 71 | 0 | 0 | 0 | 0 | 112.7 | V491 I512 T581 L582 | V491-C510 WeakPolarHBondContact CG2-O 3.37Å; V491-C510 WeakPolarHBondContact CG2-SG 3.1Å; V491-C510 PolarHBondContact N-O 2.8Å; C510-I512 VanDerWaalsContact SG-CG1 3.53Å; C510-T581 WeakPolarHBondContact CB-OG1 3.3Å; C510-L582 HydrophobicContact CB-CB 4.3Å; C510-L582 HydrophobicContact CB-CG 4.47Å |
| 511 | R | 95.6 | Very high | 89.8 | Confident | 112 Ų | 112 | 48 Ų | 48 | 42% | 0.423 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 130 | 169.6 | -173.8 | 177.5 | 72.7 | -163.6 | 4.9 | 109.5 | Y476 H488 F489 E549 Y576 | Y476-R511 HydrophobicContact CD2-CG 4.04Å; Y476-R511 HydrophobicContact CE2-CG 3.66Å; H488-R511 HydrophobicContact CB-CG 4.08Å; F489-R511 CarbonylContact O-C 3.48Å; F489-R511 WeakPolarHBondContact O-CA 3.42Å; R511-E549 IonicContact CZ-OE1 3.83Å; R511-E549 IonicContact NE-OE1 3.81Å; R511-E549 IonicContact NH1-OE1 3.36Å; R511-E549 PolarHBondContact NH1-OE1 3.26Å; R511-Y576 PolarHBondContact N-OH 3.34Å |
| 512 | I | 92.8 | Very high | 89.4 | Confident | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 133.9 | -176.9 | -48.9 | -178.6 | 0 | 0 | 0 | 110.1 | H488 F489 V491 C510 I563 V565 P585 I587 | H488-I512 CarbonylContact C-O 3.58Å; H488-I512 VanDerWaalsContact CA-O 3.23Å; H488-I512 WeakPolarHBondContact CA-O 3.49Å; F489-I512 PolarHBondContact N-O 3.49Å; F489-I512 PolarHBondContact O-N 3.12Å; V491-I512 HydrophobicContact CG1-CD1 4.34Å; V491-I512 HydrophobicContact CG2-CD1 3.86Å; V491-I512 HydrophobicContact CG2-CG1 4.17Å; C510-I512 VanDerWaalsContact SG-CG1 3.53Å; I512-I563 HydrophobicContact CD1-CD1 4.19Å; I512-V565 HydrophobicContact CD1-CB 4.22Å; I512-V565 HydrophobicContact CD1-CG1 3.62Å; I512-V565 HydrophobicContact CD1-CG2 3.48Å; I512-V565 VanDerWaalsContact CD1-CG2 3.48Å; I512-P585 HydrophobicContact CD1-CB 4.05Å; I512-P585 HydrophobicContact CG1-CB 3.97Å; I512-P585 HydrophobicContact CG1-CG 4.13Å; I512-I587 HydrophobicContact CG2-CD1 4.37Å; I512-I587 HydrophobicContact CG2-CG1 3.65Å |
| 513 | G | 86.9 | Confident | 89.1 | Confident | 14 Ų | 14 | 46.1 Ų | 46.1 | 14% | 0.144 | 25% | 0.245 | C | C | . | . | trans | -141.1 | 25.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | R482 Y516 | R482-G513 PolarHBondContact NH1-O 3.24Å; G513-Y516 PolarHBondContact O-OH 3.49Å; G513-Y516 VanDerWaalsContact O-OH 3.07Å | ||
| 514 | S | 86.1 | Confident | 88.9 | Confident | 44 Ų | 44 | 46 Ų | 46 | 31% | 0.308 | 24% | 0.244 | S | C | . | . | trans | -152.2 | 163.1 | -178.5 | 66.1 | 0 | 0 | 0 | 0 | 111.6 | I587 | S514-I587 PolarHBondContact O-N 2.91Š| ||
| 515 | G | 78.6 | Confident | 88.7 | Confident | 45 Ų | 45 | 42.7 Ų | 42.7 | 46% | 0.464 | 22% | 0.224 | S | C | . | . | S | Bend | trans | 107.9 | -18.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | I587 | G515-I587 CarbonylContact C-O 3.57Å; G515-I587 WeakPolarHBondContact CA-O 3.42Å; G515-I587 VanDerWaalsContact O-O 3.06Å |
| 516 | Y | 81.6 | Confident | 88.4 | Confident | 22 Ų | 22 | 46.3 Ų | 46.3 | 9% | 0.086 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -95.6 | 155.7 | 172.4 | 50.4 | -105.9 | 0 | 0 | 0 | 112.3 | R482 S487 F489 G513 E520 L521 I587 | R482-Y516 PolarHBondContact NH1-OH 2.92Å; S487-Y516 PolarHBondContact O-OH 3.28Å; F489-Y516 HydrophobicContact CE2-CE1 4.35Å; G513-Y516 PolarHBondContact O-OH 3.49Å; G513-Y516 VanDerWaalsContact O-OH 3.07Å; Y516-E520 WeakPolarHBondContact CA-OE2 3.39Å; Y516-L521 HydrophobicContact CD1-CD1 4.29Å; Y516-L521 HydrophobicContact CD2-CB 3.67Å; Y516-L521 HydrophobicContact CD2-CD1 4Å; Y516-L521 HydrophobicContact CD2-CD2 4.31Å; Y516-L521 HydrophobicContact CD2-CG 4.2Å; Y516-L521 HydrophobicContact CE1-CD1 3.93Å; Y516-L521 HydrophobicContact CE2-CB 3.9Å; Y516-L521 HydrophobicContact CE2-CD1 3.68Å; Y516-L521 HydrophobicContact CE2-CD2 3.66Å; Y516-L521 HydrophobicContact CE2-CG 3.94Å; Y516-L521 HydrophobicContact CG-CB 4.34Å; Y516-L521 HydrophobicContact CG-CD1 4.31Å; Y516-I587 HydrophobicContact CD1-CD1 3.88Å; Y516-I587 HydrophobicContact CD1-CG1 4.36Å; Y516-I587 HydrophobicContact CE1-CD1 4.32Å |
| 517 | T | 79.4 | Confident | 88.2 | Confident | 78 Ų | 78 | 50.4 Ų | 50.4 | 48% | 0.479 | 26% | 0.259 | S | S | . | . | trans | -75 | 163.2 | 163.4 | 64.5 | 0 | 0 | 0 | 0 | 111.2 | K519 E520 L521 | T517-K519 PolarHBondContact O-N 2.99Å; T517-E520 WeakPolarHBondContact CB-OE2 3.43Å; T517-E520 WeakPolarHBondContact CG2-OE2 3.42Å; T517-E520 PolarHBondContact N-OE2 3.32Å; T517-E520 PolarHBondContact O-N 2.79Å; T517-E520 WeakPolarHBondContact OG1-CB 3.39Å; T517-E520 VanDerWaalsContact OG1-CG 3.27Å; T517-E520 WeakPolarHBondContact OG1-CG 3.42Å; T517-E520 PolarHBondContact OG1-N 2.81Å; T517-E520 VanDerWaalsContact OG1-N 3.13Å; T517-E520 PolarHBondContact OG1-OE2 3.01Å; T517-L521 PolarHBondContact O-N 3.25Å | ||
| 518 | M | 73.4 | Confident | 88 | Confident | 94 Ų | 94 | 49.5 Ų | 49.5 | 46% | 0.463 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62 | -32.6 | 174.8 | -73.7 | -64.1 | -60.3 | 0 | 0 | 112.3 | R482 M485 Y522 | R482-M518 HydrophobicContact CG-CE 4.39Å; R482-M518 HydrophobicContact CG-SD 4.08Å; M485-M518 HydrophobicContact SD-CE 4.44Å; M518-Y522 WeakPolarHBondContact O-CB 2.92Å; M518-Y522 PolarHBondContact O-N 3.11Å |
| 519 | K | 80.1 | Confident | 87.7 | Confident | 145 Ų | 145 | 52.3 Ų | 52.3 | 63% | 0.63 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -66 | -50.4 | 175.7 | -177.1 | -178.1 | 179.8 | -63.7 | 0 | 111 | T517 L521 Y522 D523 | T517-K519 PolarHBondContact O-N 2.99Å; K519-L521 VanDerWaalsContact C-N 3.29Å; K519-L521 PolarHBondContact O-N 3.25Å; K519-Y522 WeakPolarHBondContact O-CB 3.41Å; K519-Y522 PolarHBondContact O-N 3.29Å; K519-Y522 VanDerWaalsContact O-N 3.09Å; K519-D523 IonicContact NZ-OD2 3.73Å; K519-D523 PolarHBondContact NZ-OD2 3.19Å; K519-D523 VanDerWaalsContact O-CG 3.25Å; K519-D523 PolarHBondContact O-N 3.28Å |
| 520 | E | 83.4 | Confident | 87.6 | Confident | 75 Ų | 75 | 60.5 Ų | 60.5 | 35% | 0.35 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.4 | -39.5 | 177 | -72.6 | 163.6 | 143.6 | 0 | 0 | 112 | Y516 T517 Y522 L524 I590 | Y516-E520 WeakPolarHBondContact CA-OE2 3.39Å; T517-E520 WeakPolarHBondContact CB-OE2 3.43Å; T517-E520 WeakPolarHBondContact CG2-OE2 3.42Å; T517-E520 PolarHBondContact N-OE2 3.32Å; T517-E520 PolarHBondContact O-N 2.79Å; T517-E520 WeakPolarHBondContact OG1-CB 3.39Å; T517-E520 VanDerWaalsContact OG1-CG 3.27Å; T517-E520 WeakPolarHBondContact OG1-CG 3.42Å; T517-E520 PolarHBondContact OG1-N 2.81Å; T517-E520 VanDerWaalsContact OG1-N 3.13Å; T517-E520 PolarHBondContact OG1-OE2 3.01Å; E520-Y522 VanDerWaalsContact C-N 3.31Å; E520-Y522 PolarHBondContact O-N 3.27Å; E520-L524 WeakPolarHBondContact O-CB 3.43Å; E520-L524 PolarHBondContact O-N 2.83Å; E520-I590 HydrophobicContact CB-CD1 4.23Å |
| 521 | L | 85.8 | Confident | 87.6 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.7 | -41.1 | 174.8 | -171 | 63.7 | 0 | 0 | 0 | 111.9 | R482 M485 M486 F489 Y516 T517 K519 G525 | R482-L521 HydrophobicContact CG-CD2 4.34Å; M485-L521 HydrophobicContact CE-CB 4.48Å; M485-L521 HydrophobicContact CE-CD2 4.33Å; M485-L521 HydrophobicContact CE-CG 4.14Å; M486-L521 VanDerWaalsContact O-CD1 3.25Å; M486-L521 WeakPolarHBondContact O-CD1 3.48Å; F489-L521 HydrophobicContact CE2-CD1 3.79Å; F489-L521 HydrophobicContact CZ-CD1 3.91Å; Y516-L521 HydrophobicContact CD1-CD1 4.29Å; Y516-L521 HydrophobicContact CD2-CB 3.67Å; Y516-L521 HydrophobicContact CD2-CD1 4Å; Y516-L521 HydrophobicContact CD2-CD2 4.31Å; Y516-L521 HydrophobicContact CD2-CG 4.2Å; Y516-L521 HydrophobicContact CE1-CD1 3.93Å; Y516-L521 HydrophobicContact CE2-CB 3.9Å; Y516-L521 HydrophobicContact CE2-CD1 3.68Å; Y516-L521 HydrophobicContact CE2-CD2 3.66Å; Y516-L521 HydrophobicContact CE2-CG 3.94Å; Y516-L521 HydrophobicContact CG-CB 4.34Å; Y516-L521 HydrophobicContact CG-CD1 4.31Å; T517-L521 PolarHBondContact O-N 3.25Å; K519-L521 VanDerWaalsContact C-N 3.29Å; K519-L521 PolarHBondContact O-N 3.25Å; L521-G525 PolarHBondContact O-N 3.2Å |
| 522 | Y | 84 | Confident | 87.6 | Confident | 125 Ų | 125 | 59.5 Ų | 59.5 | 49% | 0.49 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -67 | -49.8 | 178.2 | -176.8 | -96.6 | 0 | 0 | 0 | 111.8 | M485 M518 K519 E520 L524 G525 L526 | M485-Y522 HydrophobicContact CE-CD2 3.79Å; M485-Y522 HydrophobicContact CE-CG 4.23Å; M485-Y522 HydrophobicContact SD-CD2 4.46Å; M518-Y522 WeakPolarHBondContact O-CB 2.92Å; M518-Y522 PolarHBondContact O-N 3.11Å; K519-Y522 WeakPolarHBondContact O-CB 3.41Å; K519-Y522 PolarHBondContact O-N 3.29Å; K519-Y522 VanDerWaalsContact O-N 3.09Å; E520-Y522 VanDerWaalsContact C-N 3.31Å; E520-Y522 PolarHBondContact O-N 3.27Å; Y522-L524 PolarHBondContact O-N 2.98Å; Y522-G525 WeakPolarHBondContact O-CA 3.23Å; Y522-G525 PolarHBondContact O-N 2.7Å; Y522-G525 VanDerWaalsContact O-N 3.12Å; Y522-L526 HydrophobicContact CD1-CD1 3.92Å; Y522-L526 HydrophobicContact CD1-CG 4.37Å; Y522-L526 HydrophobicContact CE1-CD1 3.32Å; Y522-L526 HydrophobicContact CE1-CG 3.99Å; Y522-L526 PolarHBondContact O-N 3.18Å |
| 523 | D | 87.8 | Confident | 87.7 | Confident | 70 Ų | 70 | 63.8 Ų | 63.8 | 37% | 0.374 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61 | -45 | 179.3 | -65.1 | -15.9 | 0 | 0 | 0 | 110.8 | K519 L526 K527 | K519-D523 IonicContact NZ-OD2 3.73Å; K519-D523 PolarHBondContact NZ-OD2 3.19Å; K519-D523 VanDerWaalsContact O-CG 3.25Å; K519-D523 PolarHBondContact O-N 3.28Å; D523-L526 PolarHBondContact O-N 2.89Å; D523-K527 WeakPolarHBondContact O-CB 3.47Å; D523-K527 PolarHBondContact O-N 2.9Å |
| 524 | L | 90.3 | Very high | 88 | Confident | 6 Ų | 6 | 68 Ų | 68 | 3% | 0.031 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63.6 | -41.3 | 174.2 | -176 | 62.7 | 0 | 0 | 0 | 111.6 | I472 F489 E520 Y522 L526 K527 L528 V561 I590 | I472-L524 HydrophobicContact CD1-CD2 3.99Å; F489-L524 HydrophobicContact CE2-CD2 3.88Å; F489-L524 HydrophobicContact CZ-CD2 3.84Å; F489-L524 HydrophobicContact CZ-CG 4.45Å; E520-L524 WeakPolarHBondContact O-CB 3.43Å; E520-L524 PolarHBondContact O-N 2.83Å; Y522-L524 PolarHBondContact O-N 2.98Å; L524-L526 PolarHBondContact O-N 3.41Å; L524-K527 PolarHBondContact O-N 3.17Å; L524-L528 HydrophobicContact CD1-CD1 3.84Å; L524-L528 HydrophobicContact CD1-CG 4.04Å; L524-L528 HydrophobicContact CG-CD1 3.99Å; L524-L528 HydrophobicContact CG-CG 4.42Å; L524-L528 WeakPolarHBondContact O-CG 3.33Å; L524-L528 PolarHBondContact O-N 3.1Å; L524-V561 HydrophobicContact CD1-CB 4.39Å; L524-V561 HydrophobicContact CD1-CG1 4.43Å; L524-V561 HydrophobicContact CD1-CG2 4.41Å; L524-I590 HydrophobicContact CB-CD1 4.13Å; L524-I590 HydrophobicContact CD1-CD1 4.46Å; L524-I590 HydrophobicContact CD1-CG2 4.45Å; L524-I590 HydrophobicContact CD2-CD1 4.17Å; L524-I590 HydrophobicContact CG-CD1 4.49Å |
| 525 | G | 90.3 | Very high | 88.4 | Confident | 18 Ų | 18 | 67.3 Ų | 67.3 | 19% | 0.186 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -57.9 | -47.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L521 Y522 L528 A529 | L521-G525 PolarHBondContact O-N 3.2Å; Y522-G525 WeakPolarHBondContact O-CA 3.23Å; Y522-G525 PolarHBondContact O-N 2.7Å; Y522-G525 VanDerWaalsContact O-N 3.12Å; G525-L528 PolarHBondContact O-N 3.23Å; G525-A529 WeakPolarHBondContact O-CA 3.29Å; G525-A529 VanDerWaalsContact O-CB 3.32Å; G525-A529 WeakPolarHBondContact O-CB 3.37Å; G525-A529 PolarHBondContact O-N 3.43Å |
| 526 | L | 91.3 | Very high | 89 | Confident | 102 Ų | 102 | 73 Ų | 73 | 53% | 0.534 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.2 | -43.6 | 175.9 | -72.4 | 179.9 | 0 | 0 | 0 | 112.1 | Y522 D523 L524 L528 A529 | Y522-L526 HydrophobicContact CD1-CD1 3.92Å; Y522-L526 HydrophobicContact CD1-CG 4.37Å; Y522-L526 HydrophobicContact CE1-CD1 3.32Å; Y522-L526 HydrophobicContact CE1-CG 3.99Å; Y522-L526 PolarHBondContact O-N 3.18Å; D523-L526 PolarHBondContact O-N 2.89Å; L524-L526 PolarHBondContact O-N 3.41Å; L526-L528 VanDerWaalsContact C-N 3.33Å; L526-L528 PolarHBondContact O-N 3.17Å; L526-A529 PolarHBondContact O-N 3.37Å |
| 527 | K | 93.7 | Very high | 89.2 | Confident | 87 Ų | 87 | 80.6 Ų | 80.6 | 38% | 0.378 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -58.9 | -43.6 | 178.5 | -174.4 | 175.2 | -174.7 | 174.7 | 0 | 111.8 | D523 L524 V561 E592 | D523-K527 WeakPolarHBondContact O-CB 3.47Å; D523-K527 PolarHBondContact O-N 2.9Å; L524-K527 PolarHBondContact O-N 3.17Å; K527-V561 HydrophobicContact CD-CG2 4.09Å; K527-E592 IonicContact NZ-OE1 3.83Å; K527-E592 PolarHBondContact NZ-OE1 3.44Å |
| 528 | L | 95.3 | Very high | 89.8 | Confident | 1 Ų | 1 | 84.5 Ų | 84.5 | 1% | 0.005 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -88.6 | -14.8 | -176.2 | -58.3 | -177.3 | 0 | 0 | 0 | 113.8 | I472 L524 G525 L526 K530 H531 W532 I555 V561 | I472-L528 HydrophobicContact CD1-CD1 4.3Å; I472-L528 HydrophobicContact CG2-CD1 4.39Å; L524-L528 HydrophobicContact CD1-CD1 3.84Å; L524-L528 HydrophobicContact CD1-CG 4.04Å; L524-L528 HydrophobicContact CG-CD1 3.99Å; L524-L528 HydrophobicContact CG-CG 4.42Å; L524-L528 WeakPolarHBondContact O-CG 3.33Å; L524-L528 PolarHBondContact O-N 3.1Å; G525-L528 PolarHBondContact O-N 3.23Å; L526-L528 VanDerWaalsContact C-N 3.33Å; L526-L528 PolarHBondContact O-N 3.17Å; L528-K530 VanDerWaalsContact C-N 3.32Å; L528-K530 PolarHBondContact O-N 3.01Å; L528-K530 VanDerWaalsContact O-N 3.17Å; L528-H531 PolarHBondContact O-N 3.4Å; L528-W532 HydrophobicContact CB-CZ2 3.89Å; L528-W532 HydrophobicContact CD1-CH2 4.29Å; L528-W532 HydrophobicContact CD1-CZ2 3.73Å; L528-W532 HydrophobicContact CG-CZ2 4.46Å; L528-I555 HydrophobicContact CB-CD1 4.43Å; L528-I555 HydrophobicContact CD2-CD1 3.81Å; L528-V561 HydrophobicContact CD2-CG2 3.92Å |
| 529 | A | 92.3 | Very high | 90.6 | Very high | 59 Ų | 59 | 85.3 Ų | 85.3 | 49% | 0.488 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -50.2 | -46.4 | -170.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | G525 L526 H531 | G525-A529 WeakPolarHBondContact O-CA 3.29Å; G525-A529 VanDerWaalsContact O-CB 3.32Å; G525-A529 WeakPolarHBondContact O-CB 3.37Å; G525-A529 PolarHBondContact O-N 3.43Å; L526-A529 PolarHBondContact O-N 3.37Å; A529-H531 PolarHBondContact O-N 2.99Å |
| 530 | K | 93.9 | Very high | 91.1 | Very high | 172 Ų | 172 | 81.5 Ų | 81.5 | 75% | 0.748 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -8.3 | -176.1 | 69 | -174.8 | -178.4 | -177.3 | 0 | 114.7 | L528 | L528-K530 VanDerWaalsContact C-N 3.32Å; L528-K530 PolarHBondContact O-N 3.01Å; L528-K530 VanDerWaalsContact O-N 3.17Å |
| 531 | H | 96.3 | Very high | 91.7 | Very high | 47 Ų | 47 | 78.7 Ų | 78.7 | 22% | 0.218 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.1 | -8.1 | -172.8 | -60.6 | -69.2 | 0 | 0 | 0 | 113.6 | L528 A529 I555 N559 | L528-H531 PolarHBondContact O-N 3.4Å; A529-H531 PolarHBondContact O-N 2.99Å; H531-I555 HydrophobicContact CB-CD1 3.48Å; H531-I555 VanDerWaalsContact CB-CD1 3.48Å; H531-I555 HydrophobicContact CB-CG1 3.74Å; H531-N559 HydrophobicContact CB-CB 4.02Å |
| 532 | W | 96.1 | Very high | 92.1 | Very high | 44 Ų | 44 | 82.9 Ų | 82.9 | 17% | 0.167 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 132.9 | 178.4 | -68.5 | 121 | 0 | 0 | 0 | 112 | I472 M486 F489 L528 V553 I555 | I472-W532 HydrophobicContact CG2-CH2 3.88Å; M486-W532 HydrophobicContact CE-CD2 4.33Å; M486-W532 HydrophobicContact CE-CG 4.39Å; M486-W532 HydrophobicContact CG-CZ2 4.16Å; F489-W532 HydrophobicContact CD1-CH2 4.34Å; F489-W532 HydrophobicContact CD1-CZ2 4.36Å; F489-W532 HydrophobicContact CE1-CZ2 4.15Å; L528-W532 HydrophobicContact CB-CZ2 3.89Å; L528-W532 HydrophobicContact CD1-CH2 4.29Å; L528-W532 HydrophobicContact CD1-CZ2 3.73Å; L528-W532 HydrophobicContact CG-CZ2 4.46Å; W532-V553 HydrophobicContact CB-CB 4.23Å; W532-V553 HydrophobicContact CB-CG2 4.21Å; W532-V553 HydrophobicContact CD2-CB 4.45Å; W532-V553 HydrophobicContact CD2-CG2 3.68Å; W532-V553 HydrophobicContact CE3-CB 4.08Å; W532-V553 HydrophobicContact CE3-CG2 3.47Å; W532-V553 VanDerWaalsContact CE3-CG2 3.47Å; W532-V553 HydrophobicContact CG-CG2 4.01Å; W532-V553 HydrophobicContact CZ3-CG2 4.12Å; W532-I555 HydrophobicContact CE3-CB 3.82Å; W532-I555 HydrophobicContact CE3-CG2 4.37Å; W532-I555 HydrophobicContact CH2-CB 4.36Å; W532-I555 HydrophobicContact CH2-CG2 4.09Å; W532-I555 HydrophobicContact CZ3-CB 3.64Å; W532-I555 HydrophobicContact CZ3-CG2 3.66Å |
| 533 | K | 95.1 | Very high | 92.6 | Very high | 92 Ų | 92 | 78.2 Ų | 78.2 | 40% | 0.4 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 143.4 | 174.1 | -65.1 | 177 | 179 | 177.1 | 0 | 109.4 | Y535 V553 Y554 D556 | K533-Y535 PolarHBondContact O-N 3.4Å; K533-V553 CarbonylContact O-C 3.56Å; K533-V553 WeakPolarHBondContact O-CA 3.42Å; K533-V553 VanDerWaalsContact O-CB 3.3Å; K533-V553 WeakPolarHBondContact O-CB 3.24Å; K533-Y554 HydrophobicContact CB-CD1 3.91Å; K533-Y554 HydrophobicContact CB-CE1 3.44Å; K533-Y554 VanDerWaalsContact CB-CE1 3.44Å; K533-Y554 HydrophobicContact CB-CE2 4.16Å; K533-Y554 HydrophobicContact CB-CG 4.46Å; K533-Y554 HydrophobicContact CD-CE1 4.4Å; K533-Y554 HydrophobicContact CD-CE2 3.91Å; K533-Y554 WeakPolarHBondContact CD-OH 3.33Å; K533-Y554 PolarHBondContact N-O 3.02Å; K533-Y554 WeakPolarHBondContact O-CD1 3.38Å; K533-Y554 PolarHBondContact O-N 3.05Å; K533-D556 WeakPolarHBondContact CE-OD2 3.26Å; K533-D556 IonicContact NZ-OD1 2.94Å; K533-D556 IonicContact NZ-OD2 3.29Å; K533-D556 PolarHBondContact NZ-OD2 3.28Å |
| 534 | V | 93.8 | Very high | 93.1 | Very high | 103 Ų | 103 | 75.1 Ų | 75.1 | 62% | 0.624 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 127.5 | 179.2 | 178.3 | 0 | 0 | 0 | 0 | 109.8 | ||
| 535 | Y | 93.9 | Very high | 93.4 | Very high | 29 Ų | 29 | 77.7 Ų | 77.7 | 11% | 0.114 | 41% | 0.405 | C | S | . | . | trans | -78.8 | 123.8 | 176 | -171.9 | -86.9 | 0 | 0 | 0 | 110.4 | K533 P540 P541 R550 P551 E552 Y554 | K533-Y535 PolarHBondContact O-N 3.4Å; Y535-P540 HydrophobicContact CE2-CB 4.39Å; Y535-P540 WeakPolarHBondContact OH-CB 3.44Å; Y535-P541 HydrophobicContact CD2-CG 4.47Å; Y535-P541 HydrophobicContact CE2-CG 4.21Å; Y535-R550 HydrophobicContact CD1-CB 4.34Å; Y535-R550 HydrophobicContact CE1-CB 4.04Å; Y535-R550 HydrophobicContact CE1-CG 4.03Å; Y535-R550 WeakPolarHBondContact OH-CD 3.3Å; Y535-R550 PolarHBondContact OH-NE 3.24Å; Y535-P551 WeakPolarHBondContact CB-O 3.35Å; Y535-P551 HydrophobicContact CD2-CG 3.86Å; Y535-P551 HydrophobicContact CE2-CG 4.43Å; Y535-P551 HydrophobicContact CG-CG 4.07Å; Y535-E552 PolarHBondContact N-O 3.22Å; Y535-Y554 HydrophobicContact CD2-CD1 4.15Å; Y535-Y554 HydrophobicContact CD2-CG 4.45Å | ||
| 536 | R | 90.8 | Very high | 93.7 | Very high | 165 Ų | 165 | 77.5 Ų | 77.5 | 62% | 0.623 | 40% | 0.401 | S | S | * | . | B | Isolated β-bridge | trans | -113 | 125 | 177.9 | -65.7 | -176.6 | -178.6 | -176.1 | 1.1 | 110.1 | N538 D539 | R536-N538 VanDerWaalsContact C-N 3.27Å; R536-N538 PolarHBondContact O-N 3.35Å; R536-D539 HydrophobicContact CB-CB 4.31Å; R536-D539 CarbonylContact O-C 3.58Å; R536-D539 PolarHBondContact O-N 2.99Å; R536-D539 VanDerWaalsContact O-N 3.15Å |
| 537 | K | 86.6 | Confident | 93.7 | Very high | 181 Ų | 181 | 73.7 Ų | 73.7 | 79% | 0.787 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -36.5 | -177.6 | -173.2 | -179.5 | 176.6 | -174.4 | 0 | 113 | D539 | K537-D539 VanDerWaalsContact C-N 3.31Š|
| 538 | N | 90.6 | Very high | 93.7 | Very high | 159 Ų | 159 | 74.8 Ų | 74.8 | 85% | 0.85 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -6.7 | -177.1 | -60.1 | -7.1 | 0 | 0 | 0 | 112.9 | R536 | R536-N538 VanDerWaalsContact C-N 3.27Å; R536-N538 PolarHBondContact O-N 3.35Å |
| 539 | D | 91.2 | Very high | 93.6 | Very high | 112 Ų | 112 | 76.3 Ų | 76.3 | 60% | 0.599 | 41% | 0.407 | S | S | * | . | B | Isolated β-bridge | trans | -146.5 | 68.6 | -177.9 | -177.5 | 29.8 | 0 | 0 | 0 | 109.2 | R536 K537 | R536-D539 HydrophobicContact CB-CB 4.31Å; R536-D539 CarbonylContact O-C 3.58Å; R536-D539 PolarHBondContact O-N 2.99Å; R536-D539 VanDerWaalsContact O-N 3.15Å; K537-D539 VanDerWaalsContact C-N 3.31Å |
| 540 | P | 91.7 | Very high | 93.7 | Very high | 65 Ų | 65 | 77.6 Ų | 77.6 | 42% | 0.422 | 40% | 0.399 | S | S | . | . | trans | -77.7 | 147.9 | -177.7 | 32.8 | -34.9 | 0 | 0 | 0 | 111.2 | Y535 A542 | Y535-P540 HydrophobicContact CE2-CB 4.39Å; Y535-P540 WeakPolarHBondContact OH-CB 3.44Å; P540-A542 PolarHBondContact O-N 3.12Å | ||
| 541 | P | 94.6 | Very high | 93.7 | Very high | 15 Ų | 15 | 69.8 Ų | 69.8 | 10% | 0.097 | 37% | 0.366 | C | S | . | . | trans | -63.3 | 129.1 | 175.2 | 27.3 | -35.6 | 0 | 0 | 0 | 111.5 | Y535 S543 I544 Y554 | Y535-P541 HydrophobicContact CD2-CG 4.47Å; Y535-P541 HydrophobicContact CE2-CG 4.21Å; P541-S543 PolarHBondContact O-N 3Å; P541-I544 HydrophobicContact CG-CB 4.12Å; P541-I544 HydrophobicContact CG-CD1 4.06Å; P541-I544 HydrophobicContact CG-CG1 4.43Å; P541-I544 PolarHBondContact O-N 3.23Å; P541-I544 VanDerWaalsContact O-N 3.17Å; P541-Y554 HydrophobicContact CB-CD2 3.94Å; P541-Y554 HydrophobicContact CB-CE2 3.6Å; P541-Y554 HydrophobicContact CG-CD1 4.28Å; P541-Y554 HydrophobicContact CG-CD2 3.71Å; P541-Y554 HydrophobicContact CG-CE1 4.4Å; P541-Y554 HydrophobicContact CG-CE2 3.85Å; P541-Y554 HydrophobicContact CG-CG 3.92Å | ||
| 542 | A | 93.8 | Very high | 93.6 | Very high | 88 Ų | 88 | 70 Ų | 70 | 73% | 0.727 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -27 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | P540 I544 | P540-A542 PolarHBondContact O-N 3.12Å; A542-I544 VanDerWaalsContact C-N 3.33Å; A542-I544 PolarHBondContact O-N 3.17Å |
| 543 | S | 95.5 | Very high | 93.6 | Very high | 28 Ų | 28 | 68.5 Ų | 68.5 | 20% | 0.196 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -13 | -179.8 | 53.8 | 0 | 0 | 0 | 0 | 114.2 | S504 F506 P541 | S504-S543 WeakPolarHBondContact O-CA 3.46Å; S504-S543 VanDerWaalsContact O-CB 3.28Å; S504-S543 WeakPolarHBondContact O-CB 3.37Å; F506-S543 PolarHBondContact N-O 2.68Å; P541-S543 PolarHBondContact O-N 3Å |
| 544 | I | 97.4 | Very high | 93.7 | Very high | 5 Ų | 5 | 66 Ų | 66 | 3% | 0.026 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 104.9 | -175 | -52.8 | 162.2 | 0 | 0 | 0 | 109.9 | V473 T508 P541 A542 Y554 I555 P557 | V473-I544 HydrophobicContact CB-CD1 3.99Å; V473-I544 HydrophobicContact CB-CG1 4.2Å; V473-I544 HydrophobicContact CB-CG2 3.98Å; V473-I544 HydrophobicContact CG1-CG1 4.4Å; V473-I544 HydrophobicContact CG2-CG2 3.92Å; T508-I544 HydrophobicContact CG2-CG2 4.11Å; P541-I544 HydrophobicContact CG-CB 4.12Å; P541-I544 HydrophobicContact CG-CD1 4.06Å; P541-I544 HydrophobicContact CG-CG1 4.43Å; P541-I544 PolarHBondContact O-N 3.23Å; P541-I544 VanDerWaalsContact O-N 3.17Å; A542-I544 VanDerWaalsContact C-N 3.33Å; A542-I544 PolarHBondContact O-N 3.17Å; I544-Y554 HydrophobicContact CD1-CD2 3.87Å; I544-Y554 HydrophobicContact CD1-CG 4.4Å; I544-I555 WeakPolarHBondContact CD1-O 3.32Å; I544-P557 HydrophobicContact CG1-CG 4.47Å |
| 545 | L | 97.1 | Very high | 93.9 | Very high | 59 Ų | 59 | 61.1 Ų | 61.1 | 31% | 0.309 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 122.6 | 177.9 | -55.7 | -173.2 | 0 | 0 | 0 | 110.2 | V505 F506 T508 K577 | V505-L545 HydrophobicContact CG1-CD1 3.58Å; V505-L545 HydrophobicContact CG1-CG 3.73Å; F506-L545 PolarHBondContact O-N 3.12Å; T508-L545 WeakPolarHBondContact CG2-O 3.43Å; T508-L545 PolarHBondContact N-O 2.9Å; T508-L545 VanDerWaalsContact N-O 3.07Å; L545-K577 HydrophobicContact CB-CD 4.15Å; L545-K577 HydrophobicContact CB-CG 3.74Å; L545-K577 WeakPolarHBondContact O-CB 3.49Å |
| 546 | C | 95.9 | Very high | 94 | Very high | 15 Ų | 15 | 61.6 Ų | 61.6 | 10% | 0.101 | 33% | 0.326 | C | S | . | . | trans | -116 | 148.7 | -174.9 | -61.2 | 0 | 0 | 0 | 0 | 112 | T508 R550 | T508-C546 HydrophobicContact CG2-CB 4.24Å; T508-C546 VanDerWaalsContact CG2-SG 3.52Å; C546-R550 PolarHBondContact O-NH1 3.5Å; C546-R550 PolarHBondContact O-NH2 2.94Å | ||
| 547 | G | 92.9 | Very high | 94.3 | Very high | 22 Ų | 22 | 54.1 Ų | 54.1 | 23% | 0.227 | 30% | 0.299 | C | S | . | . | trans | -78.6 | -106.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | R550 M575 | G547-R550 PolarHBondContact O-NH1 3.21Å; G547-R550 PolarHBondContact O-NH2 3.25Å; G547-M575 CarbonylContact C-O 3.57Å; G547-M575 WeakPolarHBondContact CA-O 3.22Å | ||
| 548 | T | 93.1 | Very high | 94.7 | Very high | 109 Ų | 109 | 48.8 Ų | 48.8 | 67% | 0.669 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -101.3 | -34.8 | 162.9 | -49.1 | 0 | 0 | 0 | 0 | 112.2 | R550 M575 | T548-R550 VanDerWaalsContact C-NH1 3.33Å; T548-R550 PolarHBondContact O-NH1 3.43Å; T548-M575 PolarHBondContact N-O 3.35Å |
| 549 | E | 93.6 | Very high | 95 | Very high | 34 Ų | 34 | 44.3 Ų | 44.3 | 16% | 0.159 | 26% | 0.26 | C | S | . | . | trans | -68.1 | 135.4 | 177.2 | -176.5 | 70.8 | 177.2 | 0 | 0 | 109.9 | Y476 L490 R511 M575 Y576 | Y476-E549 WeakPolarHBondContact OH-CG 3.43Å; Y476-E549 PolarHBondContact OH-OE1 3.22Å; L490-E549 HydrophobicContact CD1-CG 4.48Å; R511-E549 IonicContact CZ-OE1 3.83Å; R511-E549 IonicContact NE-OE1 3.81Å; R511-E549 IonicContact NH1-OE1 3.36Å; R511-E549 PolarHBondContact NH1-OE1 3.26Å; E549-M575 HydrophobicContact CB-CE 4.09Å; E549-M575 HydrophobicContact CG-CE 4.41Å; E549-M575 PolarHBondContact N-O 3.09Å; E549-Y576 HydrophobicContact CB-CD1 4.27Å; E549-Y576 HydrophobicContact CB-CE1 3.89Å; E549-Y576 HydrophobicContact CG-CE1 3.9Å | ||
| 550 | R | 93 | Very high | 95.3 | Very high | 86 Ų | 86 | 39.6 Ų | 39.6 | 33% | 0.325 | 24% | 0.236 | S | C | . | . | trans | -135 | 138.4 | -177.4 | -64.8 | -62 | -175.2 | -84.8 | -0.4 | 110.6 | Y476 Y535 C546 G547 T548 | Y476-R550 VanDerWaalsContact CE1-O 3.24Å; Y476-R550 WeakPolarHBondContact CE1-O 3.35Å; Y476-R550 PolarHBondContact OH-O 3.4Å; Y535-R550 HydrophobicContact CD1-CB 4.34Å; Y535-R550 HydrophobicContact CE1-CB 4.04Å; Y535-R550 HydrophobicContact CE1-CG 4.03Å; Y535-R550 WeakPolarHBondContact OH-CD 3.3Å; Y535-R550 PolarHBondContact OH-NE 3.24Å; C546-R550 PolarHBondContact O-NH1 3.5Å; C546-R550 PolarHBondContact O-NH2 2.94Å; G547-R550 PolarHBondContact O-NH1 3.21Å; G547-R550 PolarHBondContact O-NH2 3.25Å; T548-R550 VanDerWaalsContact C-NH1 3.33Å; T548-R550 PolarHBondContact O-NH1 3.43Å | ||
| 551 | P | 95.4 | Very high | 95.6 | Very high | 8 Ų | 8 | 37.1 Ų | 37.1 | 5% | 0.052 | 22% | 0.219 | C | C | . | . | trans | -77.8 | 163.1 | 178.7 | 37.3 | -34.7 | 0 | 0 | 0 | 111 | Y476 L490 Y535 V553 | Y476-P551 HydrophobicContact CE2-CB 4.44Å; L490-P551 HydrophobicContact CB-CB 4.26Å; L490-P551 HydrophobicContact CD2-CB 3.94Å; L490-P551 HydrophobicContact CD2-CG 3.79Å; Y535-P551 WeakPolarHBondContact CB-O 3.35Å; Y535-P551 HydrophobicContact CD2-CG 3.86Å; Y535-P551 HydrophobicContact CE2-CG 4.43Å; Y535-P551 HydrophobicContact CG-CG 4.07Å; P551-V553 VanDerWaalsContact CB-O 3.28Å; P551-V553 WeakPolarHBondContact CB-O 3.47Å | ||
| 552 | E | 93.3 | Very high | 95.8 | Very high | 51 Ų | 51 | 36.4 Ų | 36.4 | 24% | 0.238 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -77.5 | -35.5 | 172.4 | -66.5 | 175.5 | 165.3 | 0 | 0 | 110.4 | R119 G475 Y476 W477 Y535 | R119-E552 IonicContact CZ-OE1 3.3Å; R119-E552 IonicContact NE-OE1 2.64Å; R119-E552 IonicContact NH1-OE1 3.99Å; R119-E552 IonicContact NH2-OE1 2.73Å; R119-E552 PolarHBondContact NH2-OE1 3.08Å; G475-E552 PolarHBondContact O-N 3.22Å; Y476-E552 HydrophobicContact CD1-CG 4.17Å; W477-E552 WeakPolarHBondContact CB-OE2 3.35Å; W477-E552 PolarHBondContact N-OE2 2.83Å; Y535-E552 PolarHBondContact N-O 3.22Å |
| 553 | V | 95.4 | Very high | 95.9 | Very high | 13 Ų | 13 | 32.2 Ų | 32.2 | 8% | 0.079 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 151.4 | 173.4 | -64.4 | 0 | 0 | 0 | 0 | 110.5 | G474 G475 M486 W532 K533 P551 | G474-V553 CarbonylContact C-O 3.6Å; G474-V553 WeakPolarHBondContact CA-O 3.49Å; G475-V553 PolarHBondContact N-O 3.2Å; G475-V553 PolarHBondContact O-N 3.32Å; M486-V553 HydrophobicContact CE-CG2 3.32Å; M486-V553 HydrophobicContact SD-CG2 4.05Å; W532-V553 HydrophobicContact CB-CB 4.23Å; W532-V553 HydrophobicContact CB-CG2 4.21Å; W532-V553 HydrophobicContact CD2-CB 4.45Å; W532-V553 HydrophobicContact CD2-CG2 3.68Å; W532-V553 HydrophobicContact CE3-CB 4.08Å; W532-V553 HydrophobicContact CE3-CG2 3.47Å; W532-V553 VanDerWaalsContact CE3-CG2 3.47Å; W532-V553 HydrophobicContact CG-CG2 4.01Å; W532-V553 HydrophobicContact CZ3-CG2 4.12Å; K533-V553 CarbonylContact O-C 3.56Å; K533-V553 WeakPolarHBondContact O-CA 3.42Å; K533-V553 VanDerWaalsContact O-CB 3.3Å; K533-V553 WeakPolarHBondContact O-CB 3.24Å; P551-V553 VanDerWaalsContact CB-O 3.28Å; P551-V553 WeakPolarHBondContact CB-O 3.47Å |
| 554 | Y | 97.8 | Very high | 96 | Very high | 40 Ų | 40 | 32.2 Ų | 32.2 | 16% | 0.157 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 162.7 | 173.5 | 77.5 | -82.6 | 0 | 0 | 0 | 111.3 | V473 K533 Y535 P541 I544 | V473-Y554 WeakPolarHBondContact O-CA 3.43Å; V473-Y554 WeakPolarHBondContact O-CB 3.44Å; K533-Y554 HydrophobicContact CB-CD1 3.91Å; K533-Y554 HydrophobicContact CB-CE1 3.44Å; K533-Y554 VanDerWaalsContact CB-CE1 3.44Å; K533-Y554 HydrophobicContact CB-CE2 4.16Å; K533-Y554 HydrophobicContact CB-CG 4.46Å; K533-Y554 HydrophobicContact CD-CE1 4.4Å; K533-Y554 HydrophobicContact CD-CE2 3.91Å; K533-Y554 WeakPolarHBondContact CD-OH 3.33Å; K533-Y554 PolarHBondContact N-O 3.02Å; K533-Y554 WeakPolarHBondContact O-CD1 3.38Å; K533-Y554 PolarHBondContact O-N 3.05Å; Y535-Y554 HydrophobicContact CD2-CD1 4.15Å; Y535-Y554 HydrophobicContact CD2-CG 4.45Å; P541-Y554 HydrophobicContact CB-CD2 3.94Å; P541-Y554 HydrophobicContact CB-CE2 3.6Å; P541-Y554 HydrophobicContact CG-CD1 4.28Å; P541-Y554 HydrophobicContact CG-CD2 3.71Å; P541-Y554 HydrophobicContact CG-CE1 4.4Å; P541-Y554 HydrophobicContact CG-CE2 3.85Å; P541-Y554 HydrophobicContact CG-CG 3.92Å; I544-Y554 HydrophobicContact CD1-CD2 3.87Å; I544-Y554 HydrophobicContact CD1-CG 4.4Å |
| 555 | I | 97.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 137.8 | 175.4 | -173.9 | 167.5 | 0 | 0 | 0 | 108.7 | I472 V473 L528 H531 W532 I544 N559 | I472-I555 HydrophobicContact CG2-CG2 4.48Å; V473-I555 PolarHBondContact O-N 3.15Å; V473-I555 VanDerWaalsContact O-N 3.12Å; L528-I555 HydrophobicContact CB-CD1 4.43Å; L528-I555 HydrophobicContact CD2-CD1 3.81Å; H531-I555 HydrophobicContact CB-CD1 3.48Å; H531-I555 VanDerWaalsContact CB-CD1 3.48Å; H531-I555 HydrophobicContact CB-CG1 3.74Å; W532-I555 HydrophobicContact CE3-CB 3.82Å; W532-I555 HydrophobicContact CE3-CG2 4.37Å; W532-I555 HydrophobicContact CH2-CB 4.36Å; W532-I555 HydrophobicContact CH2-CG2 4.09Å; W532-I555 HydrophobicContact CZ3-CB 3.64Å; W532-I555 HydrophobicContact CZ3-CG2 3.66Å; I544-I555 WeakPolarHBondContact CD1-O 3.32Å; I555-N559 HydrophobicContact CD1-CB 4.26Å; I555-N559 WeakPolarHBondContact CD1-O 3.49Å; I555-N559 HydrophobicContact CG1-CB 4.2Å |
| 556 | D | 97.1 | Very high | 95.5 | Very high | 38 Ų | 38 | 30.5 Ų | 30.5 | 20% | 0.203 | 17% | 0.167 | C | C | . | . | trans | -62.1 | 131.7 | 173.5 | -61.6 | -45 | 0 | 0 | 0 | 109.2 | K533 C558 N559 | K533-D556 WeakPolarHBondContact CE-OD2 3.26Å; K533-D556 IonicContact NZ-OD1 2.94Å; K533-D556 IonicContact NZ-OD2 3.29Å; K533-D556 PolarHBondContact NZ-OD2 3.28Å; D556-C558 PolarHBondContact O-N 3.29Å; D556-N559 PolarHBondContact O-N 3.42Å | ||
| 557 | P | 96.9 | Very high | 95.2 | Very high | 9 Ų | 9 | 30 Ų | 30 | 6% | 0.058 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -49.3 | -37.5 | -174.3 | -33.3 | 37 | 0 | 0 | 0 | 114.6 | L471 F506 I544 N559 S560 W596 | L471-P557 HydrophobicContact CD2-CB 3.69Å; F506-P557 HydrophobicContact CD2-CB 3.84Å; F506-P557 HydrophobicContact CD2-CG 3.45Å; F506-P557 VanDerWaalsContact CD2-CG 3.45Å; F506-P557 HydrophobicContact CE2-CB 3.38Å; F506-P557 HydrophobicContact CE2-CG 3.53Å; F506-P557 HydrophobicContact CG-CG 4.27Å; F506-P557 HydrophobicContact CZ-CB 3.82Å; F506-P557 HydrophobicContact CZ-CG 4.38Å; I544-P557 HydrophobicContact CG1-CG 4.47Å; P557-N559 PolarHBondContact O-N 3.32Å; P557-S560 WeakPolarHBondContact O-CB 3.4Å; P557-S560 PolarHBondContact O-N 3.24Å; P557-S560 VanDerWaalsContact O-N 3.08Å; P557-W596 HydrophobicContact CB-CE3 3.95Å; P557-W596 HydrophobicContact CB-CZ3 4.15Å; P557-W596 WeakPolarHBondContact O-CB 3.39Å |
| 558 | C | 95.9 | Very high | 94.8 | Very high | 69 Ų | 69 | 29.4 Ų | 29.4 | 47% | 0.466 | 16% | 0.157 | S | C | . | . | G | 310 helix | trans | -65.8 | -19.6 | -179.3 | 60.1 | 0 | 0 | 0 | 0 | 115.4 | D556 W596 | D556-C558 PolarHBondContact O-N 3.29Å; C558-W596 HydrophobicContact CB-CD2 4.32Å; C558-W596 HydrophobicContact CB-CZ2 3.92Å |
| 559 | N | 96.9 | Very high | 94.6 | Very high | 65 Ų | 65 | 24.6 Ų | 24.6 | 35% | 0.348 | 13% | 0.127 | S | C | . | . | G | 310 helix | trans | -101.8 | 2.9 | 176.8 | -64.7 | -53.4 | 0 | 0 | 0 | 112.5 | H531 I555 D556 P557 | H531-N559 HydrophobicContact CB-CB 4.02Å; I555-N559 HydrophobicContact CD1-CB 4.26Å; I555-N559 WeakPolarHBondContact CD1-O 3.49Å; I555-N559 HydrophobicContact CG1-CB 4.2Å; D556-N559 PolarHBondContact O-N 3.42Å; P557-N559 PolarHBondContact O-N 3.32Å |
| 560 | S | 97.4 | Very high | 94.5 | Very high | 13 Ų | 13 | 23.4 Ų | 23.4 | 9% | 0.091 | 12% | 0.121 | C | C | . | . | trans | -96.2 | -179.8 | -172.4 | -160.4 | 0 | 0 | 0 | 0 | 112.9 | I472 P557 | I472-S560 VanDerWaalsContact O-CB 3.26Å; I472-S560 WeakPolarHBondContact O-CB 3.33Å; I472-S560 PolarHBondContact O-OG 3.28Å; P557-S560 WeakPolarHBondContact O-CB 3.4Å; P557-S560 PolarHBondContact O-N 3.24Å; P557-S560 VanDerWaalsContact O-N 3.08Å | ||
| 561 | V | 97.1 | Very high | 94.4 | Very high | 12 Ų | 12 | 20.6 Ų | 20.6 | 7% | 0.073 | 11% | 0.113 | C | C | . | . | trans | -127.7 | 137.9 | -174.2 | 176.2 | 0 | 0 | 0 | 0 | 109.5 | I472 L524 K527 L528 I590 | I472-V561 PolarHBondContact N-O 2.95Å; L524-V561 HydrophobicContact CD1-CB 4.39Å; L524-V561 HydrophobicContact CD1-CG1 4.43Å; L524-V561 HydrophobicContact CD1-CG2 4.41Å; K527-V561 HydrophobicContact CD-CG2 4.09Å; L528-V561 HydrophobicContact CD2-CG2 3.92Å; V561-I590 HydrophobicContact CG1-CG2 3.52Å | ||
| 562 | I | 98.3 | Very high | 94.1 | Very high | 1 Ų | 1 | 23.4 Ų | 23.4 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 139.1 | 171 | -67.9 | 177.9 | 0 | 0 | 0 | 109.3 | D469 L470 L471 R591 K594 E595 Q598 C599 | D469-I562 HydrophobicContact CB-CG2 3.86Å; L470-I562 CarbonylContact O-C 3.59Å; L470-I562 WeakPolarHBondContact O-CA 3.17Å; L471-I562 HydrophobicContact CD1-CG1 3.7Å; I562-R591 HydrophobicContact CB-CB 4.16Å; I562-R591 HydrophobicContact CG2-CB 3.93Å; I562-R591 HydrophobicContact CG2-CG 4.15Å; I562-R591 WeakPolarHBondContact O-CB 3.36Å; I562-R591 PolarHBondContact O-N 3.31Å; I562-K594 HydrophobicContact CB-CB 4.46Å; I562-K594 HydrophobicContact CD1-CB 4Å; I562-K594 HydrophobicContact CG2-CD 4.42Å; I562-E595 WeakPolarHBondContact CD1-O 3.32Å; I562-Q598 HydrophobicContact CD1-CB 4.32Å; I562-C599 HydrophobicContact CD1-CB 4.12Å; I562-C599 HydrophobicContact CG1-CB 4.49Å |
| 563 | I | 97.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 140.7 | 172.4 | 55 | 165 | 0 | 0 | 0 | 109.6 | D469 L470 I472 V491 I512 V565 I587 K589 | D469-I563 WeakPolarHBondContact CA-O 3.42Å; L470-I563 PolarHBondContact N-O 3.17Å; L470-I563 WeakPolarHBondContact O-CG1 3.47Å; L470-I563 PolarHBondContact O-N 2.88Å; I472-I563 HydrophobicContact CD1-CG2 3.83Å; I472-I563 HydrophobicContact CG1-CD1 4.2Å; I472-I563 HydrophobicContact CG1-CG1 4.28Å; I472-I563 HydrophobicContact CG1-CG2 4.22Å; V491-I563 HydrophobicContact CG1-CD1 3.6Å; V491-I563 HydrophobicContact CG1-CG1 4.31Å; I512-I563 HydrophobicContact CD1-CD1 4.19Å; I563-V565 HydrophobicContact CD1-CG2 3.75Å; I563-V565 HydrophobicContact CG1-CG2 3.92Å; I563-I587 HydrophobicContact CB-CG2 4.1Å; I563-I587 HydrophobicContact CD1-CD1 3.62Å; I563-I587 HydrophobicContact CD1-CG1 3.92Å; I563-I587 HydrophobicContact CG2-CD1 4.3Å; I563-I587 HydrophobicContact CG2-CG2 4.24Å; I563-K589 WeakPolarHBondContact CA-O 3.11Å |
| 564 | Q | 95.9 | Very high | 93.6 | Very high | 28 Ų | 28 | 28 Ų | 28 | 13% | 0.131 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 124.3 | 172 | -172 | 172.2 | 16.8 | 0 | 0 | 108 | E467 E588 K589 R591 | E467-Q564 HydrophobicContact CB-CG 4.06Å; E467-Q564 VanDerWaalsContact CD-NE2 3.31Å; E467-Q564 PolarHBondContact OE2-NE2 2.81Å; Q564-E588 HydrophobicContact CG-CB 4.45Å; Q564-E588 PolarHBondContact O-N 2.9Å; Q564-K589 HydrophobicContact CB-CB 4.07Å; Q564-K589 PolarHBondContact N-O 3.22Å; Q564-K589 PolarHBondContact O-N 3.23Å; Q564-R591 HydrophobicContact CB-CG 3.87Å |
| 565 | V | 94.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 128 | -171.7 | 177.8 | 0 | 0 | 0 | 0 | 109.9 | L468 L470 I512 I563 L582 P585 R586 | L468-V565 PolarHBondContact N-O 3.33Å; L468-V565 PolarHBondContact O-N 3.15Å; L470-V565 HydrophobicContact CB-CG2 4.47Å; L470-V565 HydrophobicContact CD1-CB 4.15Å; L470-V565 HydrophobicContact CD1-CG1 4.46Å; L470-V565 HydrophobicContact CD1-CG2 4.01Å; L470-V565 HydrophobicContact CG-CG2 4.39Å; I512-V565 HydrophobicContact CD1-CB 4.22Å; I512-V565 HydrophobicContact CD1-CG1 3.62Å; I512-V565 HydrophobicContact CD1-CG2 3.48Å; I512-V565 VanDerWaalsContact CD1-CG2 3.48Å; I563-V565 HydrophobicContact CD1-CG2 3.75Å; I563-V565 HydrophobicContact CG1-CG2 3.92Å; V565-L582 HydrophobicContact CG1-CD1 3.8Å; V565-P585 HydrophobicContact CG1-CB 3.99Å; V565-R586 WeakPolarHBondContact CA-O 3.34Å |
| 566 | K | 90.8 | Very high | 93.3 | Very high | 28 Ų | 28 | 30.8 Ų | 30.8 | 12% | 0.122 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 135.8 | 165.5 | -74.7 | -179.5 | -178.5 | 169.5 | 0 | 109.1 | D462 E467 P585 R586 E588 | D462-K566 IonicContact OD1-NZ 3.38Å; E467-K566 HydrophobicContact CG-CG 3.98Å; E467-K566 WeakPolarHBondContact OE1-CE 3.42Å; E467-K566 IonicContact OE1-NZ 3.21Å; K566-P585 CarbonylContact O-C 3.54Å; K566-P585 WeakPolarHBondContact O-CA 3.31Å; K566-R586 PolarHBondContact N-O 3.03Å; K566-R586 PolarHBondContact O-N 3Å; K566-E588 HydrophobicContact CD-CB 4.35Å; K566-E588 HydrophobicContact CD-CG 4.18Å; K566-E588 WeakPolarHBondContact CD-OE2 3.36Å; K566-E588 VanDerWaalsContact CE-CD 3.45Å; K566-E588 HydrophobicContact CG-CB 4.24Å; K566-E588 IonicContact NZ-OE1 2.68Å; K566-E588 PolarHBondContact NZ-OE1 3.05Å; K566-E588 IonicContact NZ-OE2 3.63Å |
| 567 | A | 89.9 | Confident | 93.3 | Very high | 3 Ų | 3 | 33.2 Ų | 33.2 | 3% | 0.025 | 18% | 0.18 | C | C | . | . | trans | -146.5 | 154.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | M465 L582 P585 L616 | M465-A567 WeakPolarHBondContact CE-O 3.23Å; A567-L582 HydrophobicContact CB-CB 3.75Å; A567-L582 HydrophobicContact CB-CD1 4.03Å; A567-L582 HydrophobicContact CB-CD2 4.2Å; A567-L582 HydrophobicContact CB-CG 4.21Å; A567-P585 HydrophobicContact CB-CB 4.33Å; A567-L616 HydrophobicContact CB-CD1 3.72Å; A567-L616 WeakPolarHBondContact O-CB 3.33Å; A567-L616 VanDerWaalsContact O-CD1 3.32Å; A567-L616 WeakPolarHBondContact O-CD1 3.34Å | ||
| 568 | A | 85.3 | Confident | 93.2 | Very high | 11 Ų | 11 | 33.6 Ų | 33.6 | 9% | 0.091 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -72.1 | -42.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | R583 F584 L616 | A568-R583 PolarHBondContact N-O 2.86Å; A568-F584 HydrophobicContact CB-CD2 4.21Å; A568-L616 PolarHBondContact O-N 3.01Å |
| 569 | E | 88.3 | Confident | 93.1 | Very high | 8 Ų | 8 | 35.4 Ų | 35.4 | 4% | 0.037 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.2 | 160.3 | -175.5 | 57.3 | 179.4 | -170 | 0 | 0 | 112.5 | Q350 V571 R583 G614 K615 | Q350-E569 PolarHBondContact OE1-OE2 2.88Å; E569-V571 HydrophobicContact CG-CG1 3.79Å; E569-V571 WeakPolarHBondContact OE1-CG1 3.49Å; E569-R583 HydrophobicContact CG-CB 3.59Å; E569-R583 HydrophobicContact CG-CG 4.33Å; E569-R583 PolarHBondContact O-N 2.88Å; E569-R583 WeakPolarHBondContact OE1-CD 3.33Å; E569-R583 IonicContact OE1-CZ 2.61Å; E569-R583 IonicContact OE1-NE 2.64Å; E569-R583 IonicContact OE1-NH1 2.7Å; E569-R583 PolarHBondContact OE1-NH1 2.9Å; E569-G614 CarbonylContact C-O 3.57Å; E569-G614 WeakPolarHBondContact CA-O 3.28Å; E569-G614 WeakPolarHBondContact CB-O 3.31Å; E569-K615 HydrophobicContact CB-CD 3.99Å; E569-K615 WeakPolarHBondContact OE2-CE 3.3Å; E569-K615 IonicContact OE2-NZ 2.8Å; E569-K615 PolarHBondContact OE2-NZ 2.89Å |
| 570 | I | 91.7 | Very high | 93 | Very high | 9 Ų | 9 | 32.4 Ų | 32.4 | 5% | 0.046 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 119.7 | 169.3 | -58.4 | 168.5 | 0 | 0 | 0 | 108.1 | C580 T581 L582 L605 F608 R609 G614 L616 | I570-C580 HydrophobicContact CG2-CB 3.85Å; I570-T581 CarbonylContact C-O 3.48Å; I570-T581 WeakPolarHBondContact CA-O 3.45Å; I570-L582 HydrophobicContact CG1-CD2 3.76Å; I570-L605 HydrophobicContact CD1-CD1 3.83Å; I570-F608 HydrophobicContact CD1-CB 3.91Å; I570-R609 HydrophobicContact CD1-CB 4.1Å; I570-R609 HydrophobicContact CG2-CB 4.41Å; I570-R609 HydrophobicContact CG2-CG 4.14Å; I570-G614 PolarHBondContact N-O 3.22Å; I570-L616 HydrophobicContact CD1-CD2 4.02Å; I570-L616 HydrophobicContact CG1-CD1 4.24Å; I570-L616 HydrophobicContact CG1-CD2 4.22Å; I570-L616 HydrophobicContact CG1-CG 4.32Å |
| 571 | V | 89.5 | Confident | 92.9 | Very high | 26 Ų | 26 | 32.7 Ų | 32.7 | 16% | 0.158 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 151.9 | -178.9 | -59.9 | 0 | 0 | 0 | 0 | 111.3 | E569 C580 T581 R583 | E569-V571 HydrophobicContact CG-CG1 3.79Å; E569-V571 WeakPolarHBondContact OE1-CG1 3.49Å; V571-C580 CarbonylContact O-C 3.54Å; V571-C580 WeakPolarHBondContact O-CA 3.26Å; V571-C580 VanDerWaalsContact O-CB 3.29Å; V571-C580 WeakPolarHBondContact O-CB 3.42Å; V571-T581 HydrophobicContact CG2-CG2 3.76Å; V571-T581 PolarHBondContact N-O 3.41Å; V571-T581 PolarHBondContact O-N 2.85Å; V571-R583 HydrophobicContact CG1-CB 4.45Å |
| 572 | S | 89 | Confident | 92.7 | Very high | 68 Ų | 68 | 32.5 Ų | 32.5 | 48% | 0.476 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 136.8 | 176.7 | -60.9 | 0 | 0 | 0 | 0 | 111.4 | R609 | S572-R609 PolarHBondContact OG-NH2 3.12Å |
| 573 | S | 89.6 | Confident | 92.2 | Very high | 20 Ų | 20 | 34 Ų | 34 | 14% | 0.14 | 18% | 0.177 | C | C | . | . | trans | -157.8 | 128.5 | -179.9 | -178.7 | 0 | 0 | 0 | 0 | 111.9 | M575 N579 C580 | S573-M575 VanDerWaalsContact C-N 3.28Å; S573-M575 PolarHBondContact OG-N 3.16Å; S573-N579 PolarHBondContact N-O 3.16Å; S573-N579 CarbonylContact O-C 3.58Å; S573-N579 WeakPolarHBondContact O-CA 3.37Å; S573-C580 PolarHBondContact O-N 3.13Å | ||
| 574 | E | 90.4 | Very high | 91.8 | Very high | 139 Ų | 139 | 39.1 Ų | 39.1 | 65% | 0.65 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -6.8 | 176.5 | -68.9 | 160.4 | -148.2 | 0 | 0 | 112.3 | K354 Y576 | K354-E574 IonicContact NZ-OE1 3.87Å; K354-E574 PolarHBondContact NZ-OE1 3Å; E574-Y576 VanDerWaalsContact C-N 3.28Å; E574-Y576 PolarHBondContact O-N 2.86Å |
| 575 | M | 91.4 | Very high | 91.6 | Very high | 82 Ų | 82 | 38.8 Ų | 38.8 | 40% | 0.404 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -23.7 | 179.9 | -72.7 | -178 | 47.4 | 0 | 0 | 113.5 | G547 T548 E549 S573 | G547-M575 CarbonylContact C-O 3.57Å; G547-M575 WeakPolarHBondContact CA-O 3.22Å; T548-M575 PolarHBondContact N-O 3.35Å; E549-M575 HydrophobicContact CB-CE 4.09Å; E549-M575 HydrophobicContact CG-CE 4.41Å; E549-M575 PolarHBondContact N-O 3.09Å; S573-M575 VanDerWaalsContact C-N 3.28Å; S573-M575 PolarHBondContact OG-N 3.16Å |
| 576 | Y | 96.4 | Very high | 91.4 | Very high | 17 Ų | 17 | 45.5 Ų | 45.5 | 7% | 0.067 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -121.9 | 155.7 | -171 | -60.4 | -77.8 | 0 | 0 | 0 | 110.6 | L490 T508 L509 R511 E549 E574 T578 N579 T581 | L490-Y576 HydrophobicContact CD1-CD1 4.19Å; L490-Y576 HydrophobicContact CD1-CE1 3.87Å; T508-Y576 WeakPolarHBondContact O-CB 3.32Å; L509-Y576 VanDerWaalsContact O-CD2 3.26Å; L509-Y576 WeakPolarHBondContact O-CD2 3.48Å; R511-Y576 PolarHBondContact N-OH 3.34Å; E549-Y576 HydrophobicContact CB-CD1 4.27Å; E549-Y576 HydrophobicContact CB-CE1 3.89Å; E549-Y576 HydrophobicContact CG-CE1 3.9Å; E574-Y576 VanDerWaalsContact C-N 3.28Å; E574-Y576 PolarHBondContact O-N 2.86Å; Y576-T578 VanDerWaalsContact C-N 3.27Å; Y576-T578 PolarHBondContact O-N 3.45Å; Y576-N579 PolarHBondContact O-N 3.39Å; Y576-N579 VanDerWaalsContact O-N 3.14Å; Y576-T581 HydrophobicContact CD2-CG2 4.42Å; Y576-T581 WeakPolarHBondContact CD2-OG1 3.5Å; Y576-T581 HydrophobicContact CE2-CG2 4.28Å; Y576-T581 WeakPolarHBondContact CE2-OG1 3.47Å |
| 577 | K | 96.8 | Very high | 91.4 | Very high | 89 Ų | 89 | 44.4 Ų | 44.4 | 39% | 0.387 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -30.2 | -171.1 | -176.9 | 63.2 | -177.8 | 169.6 | 0 | 112.9 | H507 T508 L545 N579 | H507-K577 HydrophobicContact CB-CB 4.23Å; H507-K577 HydrophobicContact CB-CG 4.14Å; H507-K577 VanDerWaalsContact ND1-CG 3.27Å; H507-K577 WeakPolarHBondContact ND1-CG 3.39Å; T508-K577 PolarHBondContact O-N 2.96Å; T508-K577 VanDerWaalsContact O-N 3.13Å; T508-K577 PolarHBondContact OG1-N 3.42Å; L545-K577 HydrophobicContact CB-CD 4.15Å; L545-K577 HydrophobicContact CB-CG 3.74Å; L545-K577 WeakPolarHBondContact O-CB 3.49Å; K577-N579 PolarHBondContact O-N 2.87Å |
| 578 | T | 95.9 | Very high | 91.4 | Very high | 17 Ų | 17 | 48.6 Ų | 48.6 | 10% | 0.104 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -4.4 | 174.9 | 49.3 | 0 | 0 | 0 | 0 | 114.2 | V493 H507 T508 L509 Y576 C580 L602 L605 | V493-T578 HydrophobicContact CG2-CG2 3.66Å; H507-T578 HydrophobicContact CB-CG2 3.81Å; T508-T578 WeakPolarHBondContact O-CG2 3.49Å; T508-T578 PolarHBondContact O-N 3.31Å; T508-T578 PolarHBondContact O-OG1 2.94Å; L509-T578 HydrophobicContact CB-CG2 4.35Å; L509-T578 HydrophobicContact CD1-CG2 4.26Å; L509-T578 WeakPolarHBondContact CD1-OG1 3.4Å; Y576-T578 VanDerWaalsContact C-N 3.27Å; Y576-T578 PolarHBondContact O-N 3.45Å; T578-C580 PolarHBondContact O-N 3.09Å; T578-C580 PolarHBondContact OG1-O 3.37Å; T578-C580 VanDerWaalsContact OG1-O 3.06Å; T578-L602 HydrophobicContact CG2-CD2 3.83Å; T578-L605 HydrophobicContact CG2-CD2 3.98Å |
| 579 | N | 93.9 | Very high | 91.7 | Very high | 108 Ų | 108 | 53.4 Ų | 53.4 | 58% | 0.578 | 26% | 0.258 | S | S | * | . | S | Bend | trans | 57.2 | 14.2 | -173.8 | -59.8 | -45 | 0 | 0 | 0 | 114.5 | S573 Y576 K577 | S573-N579 PolarHBondContact N-O 3.16Å; S573-N579 CarbonylContact O-C 3.58Å; S573-N579 WeakPolarHBondContact O-CA 3.37Å; Y576-N579 PolarHBondContact O-N 3.39Å; Y576-N579 VanDerWaalsContact O-N 3.14Å; K577-N579 PolarHBondContact O-N 2.87Å |
| 580 | C | 93.8 | Very high | 92 | Very high | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.007 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 171.3 | 172.9 | 63.8 | 0 | 0 | 0 | 0 | 109.8 | I570 V571 S573 T578 | I570-C580 HydrophobicContact CG2-CB 3.85Å; V571-C580 CarbonylContact O-C 3.54Å; V571-C580 WeakPolarHBondContact O-CA 3.26Å; V571-C580 VanDerWaalsContact O-CB 3.29Å; V571-C580 WeakPolarHBondContact O-CB 3.42Å; S573-C580 PolarHBondContact O-N 3.13Å; T578-C580 PolarHBondContact O-N 3.09Å; T578-C580 PolarHBondContact OG1-O 3.37Å; T578-C580 VanDerWaalsContact OG1-O 3.06Å |
| 581 | T | 95.3 | Very high | 92.2 | Very high | 19 Ų | 19 | 55.6 Ų | 55.6 | 12% | 0.117 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 173.3 | 175.8 | -157.1 | 0 | 0 | 0 | 0 | 111 | L509 C510 I570 V571 Y576 | L509-T581 WeakPolarHBondContact O-CA 3.32Å; L509-T581 WeakPolarHBondContact O-CB 3.25Å; L509-T581 PolarHBondContact O-OG1 2.93Å; C510-T581 WeakPolarHBondContact CB-OG1 3.3Å; I570-T581 CarbonylContact C-O 3.48Å; I570-T581 WeakPolarHBondContact CA-O 3.45Å; V571-T581 HydrophobicContact CG2-CG2 3.76Å; V571-T581 PolarHBondContact N-O 3.41Å; V571-T581 PolarHBondContact O-N 2.85Å; Y576-T581 HydrophobicContact CD2-CG2 4.42Å; Y576-T581 WeakPolarHBondContact CD2-OG1 3.5Å; Y576-T581 HydrophobicContact CE2-CG2 4.28Å; Y576-T581 WeakPolarHBondContact CE2-OG1 3.47Å |
| 582 | L | 93.2 | Very high | 92.3 | Very high | 9 Ų | 9 | 61.1 Ų | 61.1 | 5% | 0.047 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 134.8 | 179.3 | -60.6 | -175.7 | 0 | 0 | 0 | 110.8 | L468 L470 L509 C510 V565 A567 I570 P585 L616 | L468-L582 HydrophobicContact CD1-CD1 3.92Å; L468-L582 HydrophobicContact CD1-CD2 4.01Å; L470-L582 HydrophobicContact CD1-CD1 3.88Å; L509-L582 HydrophobicContact CD2-CD1 4.27Å; L509-L582 HydrophobicContact CD2-CD2 4.4Å; L509-L582 HydrophobicContact CD2-CG 4.17Å; L509-L582 HydrophobicContact CG-CG 4.33Å; C510-L582 HydrophobicContact CB-CB 4.3Å; C510-L582 HydrophobicContact CB-CG 4.47Å; V565-L582 HydrophobicContact CG1-CD1 3.8Å; A567-L582 HydrophobicContact CB-CB 3.75Å; A567-L582 HydrophobicContact CB-CD1 4.03Å; A567-L582 HydrophobicContact CB-CD2 4.2Å; A567-L582 HydrophobicContact CB-CG 4.21Å; I570-L582 HydrophobicContact CG1-CD2 3.76Å; L582-P585 HydrophobicContact CB-CB 3.86Å; L582-P585 HydrophobicContact CB-CG 4.19Å; L582-P585 HydrophobicContact CD1-CB 4.24Å; L582-P585 WeakPolarHBondContact O-CD 3.32Å; L582-L616 HydrophobicContact CD2-CD1 4.29Å |
| 583 | R | 88.9 | Confident | 92.5 | Very high | 33 Ų | 33 | 62.7 Ų | 62.7 | 13% | 0.125 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 130.7 | 171.2 | -167.7 | 178.5 | 176.4 | -163.3 | -7.2 | 110.5 | D281 A568 E569 V571 P585 | D281-R583 IonicContact OD1-CZ 2.79Å; D281-R583 IonicContact OD1-NH1 3.37Å; D281-R583 IonicContact OD1-NH2 3.97Å; D281-R583 PolarHBondContact OD1-NH2 3.49Å; D281-R583 IonicContact OD2-CZ 3.27Å; D281-R583 IonicContact OD2-NH1 2.7Å; D281-R583 PolarHBondContact OD2-NH1 3.11Å; D281-R583 IonicContact OD2-NH2 3.24Å; D281-R583 PolarHBondContact OD2-NH2 3.47Å; D281-R583 VanDerWaalsContact OD2-NH2 3.13Å; A568-R583 PolarHBondContact N-O 2.86Å; E569-R583 HydrophobicContact CG-CB 3.59Å; E569-R583 HydrophobicContact CG-CG 4.33Å; E569-R583 PolarHBondContact O-N 2.88Å; E569-R583 WeakPolarHBondContact OE1-CD 3.33Å; E569-R583 IonicContact OE1-CZ 2.61Å; E569-R583 IonicContact OE1-NE 2.64Å; E569-R583 IonicContact OE1-NH1 2.7Å; E569-R583 PolarHBondContact OE1-NH1 2.9Å; V571-R583 HydrophobicContact CG1-CB 4.45Å; R583-P585 VanDerWaalsContact C-CD 3.49Å |
| 584 | F | 87.5 | Confident | 92.8 | Very high | 107 Ų | 107 | 64.4 Ų | 64.4 | 47% | 0.469 | 30% | 0.299 | S | S | . | . | S | Bend | trans | 52.7 | 46 | -175.7 | -51.4 | -43.6 | 0 | 0 | 0 | 115.4 | A568 | A568-F584 HydrophobicContact CB-CD2 4.21Š|
| 585 | P | 92.1 | Very high | 93.1 | Very high | 21 Ų | 21 | 63.2 Ų | 63.2 | 14% | 0.136 | 29% | 0.294 | C | S | . | . | trans | -69.3 | 138.7 | -177.7 | 30.8 | -35 | 0 | 0 | 0 | 111.7 | I512 V565 K566 A567 L582 R583 | I512-P585 HydrophobicContact CD1-CB 4.05Å; I512-P585 HydrophobicContact CG1-CB 3.97Å; I512-P585 HydrophobicContact CG1-CG 4.13Å; V565-P585 HydrophobicContact CG1-CB 3.99Å; K566-P585 CarbonylContact O-C 3.54Å; K566-P585 WeakPolarHBondContact O-CA 3.31Å; A567-P585 HydrophobicContact CB-CB 4.33Å; L582-P585 HydrophobicContact CB-CB 3.86Å; L582-P585 HydrophobicContact CB-CG 4.19Å; L582-P585 HydrophobicContact CD1-CB 4.24Å; L582-P585 WeakPolarHBondContact O-CD 3.32Å; R583-P585 VanDerWaalsContact C-CD 3.49Å | ||
| 586 | R | 89.3 | Confident | 93.4 | Very high | 140 Ų | 140 | 61 Ų | 61 | 53% | 0.528 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 141.6 | 175.2 | -55.3 | -171.7 | -178.2 | -162.6 | 0.8 | 109.9 | V565 K566 E588 | V565-R586 WeakPolarHBondContact CA-O 3.34Å; K566-R586 PolarHBondContact N-O 3.03Å; K566-R586 PolarHBondContact O-N 3Å; R586-E588 PolarHBondContact O-N 2.81Å |
| 587 | I | 90.8 | Very high | 93.3 | Very high | 5 Ų | 5 | 63 Ų | 63 | 3% | 0.026 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 119 | 171.1 | -50.8 | -164.7 | 0 | 0 | 0 | 107.6 | F489 I512 S514 G515 Y516 I563 | F489-I587 HydrophobicContact CD2-CD1 4.35Å; I512-I587 HydrophobicContact CG2-CD1 4.37Å; I512-I587 HydrophobicContact CG2-CG1 3.65Å; S514-I587 PolarHBondContact O-N 2.91Å; G515-I587 CarbonylContact C-O 3.57Å; G515-I587 WeakPolarHBondContact CA-O 3.42Å; G515-I587 VanDerWaalsContact O-O 3.06Å; Y516-I587 HydrophobicContact CD1-CD1 3.88Å; Y516-I587 HydrophobicContact CD1-CG1 4.36Å; Y516-I587 HydrophobicContact CE1-CD1 4.32Å; I563-I587 HydrophobicContact CB-CG2 4.1Å; I563-I587 HydrophobicContact CD1-CD1 3.62Å; I563-I587 HydrophobicContact CD1-CG1 3.92Å; I563-I587 HydrophobicContact CG2-CD1 4.3Å; I563-I587 HydrophobicContact CG2-CG2 4.24Å |
| 588 | E | 89.4 | Confident | 93.2 | Very high | 91 Ų | 91 | 63.3 Ų | 63.3 | 43% | 0.425 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | -42.2 | 172.2 | -172.5 | 67.5 | 176.2 | 0 | 0 | 110.5 | Q564 K566 R586 | Q564-E588 HydrophobicContact CG-CB 4.45Å; Q564-E588 PolarHBondContact O-N 2.9Å; K566-E588 HydrophobicContact CD-CB 4.35Å; K566-E588 HydrophobicContact CD-CG 4.18Å; K566-E588 WeakPolarHBondContact CD-OE2 3.36Å; K566-E588 VanDerWaalsContact CE-CD 3.45Å; K566-E588 HydrophobicContact CG-CB 4.24Å; K566-E588 IonicContact NZ-OE1 2.68Å; K566-E588 PolarHBondContact NZ-OE1 3.05Å; K566-E588 IonicContact NZ-OE2 3.63Å; R586-E588 PolarHBondContact O-N 2.81Å |
| 589 | K | 92.3 | Very high | 93.2 | Very high | 113 Ų | 113 | 62.8 Ų | 62.8 | 49% | 0.491 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 147.4 | -175.3 | -161.1 | 177.6 | 177.1 | -176.8 | 0 | 112.2 | I563 Q564 | I563-K589 WeakPolarHBondContact CA-O 3.11Å; Q564-K589 HydrophobicContact CB-CB 4.07Å; Q564-K589 PolarHBondContact N-O 3.22Å; Q564-K589 PolarHBondContact O-N 3.23Å |
| 590 | I | 94.6 | Very high | 93.3 | Very high | 31 Ų | 31 | 58.3 Ų | 58.3 | 16% | 0.159 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 118 | 165.9 | -56.8 | 172.2 | 0 | 0 | 0 | 107.6 | E520 L524 V561 E592 | E520-I590 HydrophobicContact CB-CD1 4.23Å; L524-I590 HydrophobicContact CB-CD1 4.13Å; L524-I590 HydrophobicContact CD1-CD1 4.46Å; L524-I590 HydrophobicContact CD1-CG2 4.45Å; L524-I590 HydrophobicContact CD2-CD1 4.17Å; L524-I590 HydrophobicContact CG-CD1 4.49Å; V561-I590 HydrophobicContact CG1-CG2 3.52Å; I590-E592 HydrophobicContact CG2-CG 4.29Å; I590-E592 PolarHBondContact O-N 3.05Å; I590-E592 VanDerWaalsContact O-N 3.14Å |
| 591 | R | 95.3 | Very high | 93.5 | Very high | 31 Ų | 31 | 59.5 Ų | 59.5 | 12% | 0.117 | 27% | 0.274 | C | S | . | . | trans | -89.3 | 74 | -171.1 | -65.8 | -63.2 | -59.3 | -84.1 | 4.5 | 111.8 | D469 I562 Q564 D593 K594 | D469-R591 IonicContact OD1-CZ 2.83Å; D469-R591 IonicContact OD1-NH1 3.77Å; D469-R591 PolarHBondContact OD1-NH1 3.02Å; D469-R591 IonicContact OD2-CZ 3.17Å; D469-R591 IonicContact OD2-NH1 3.63Å; D469-R591 PolarHBondContact OD2-NH1 2.96Å; I562-R591 HydrophobicContact CB-CB 4.16Å; I562-R591 HydrophobicContact CG2-CB 3.93Å; I562-R591 HydrophobicContact CG2-CG 4.15Å; I562-R591 WeakPolarHBondContact O-CB 3.36Å; I562-R591 PolarHBondContact O-N 3.31Å; Q564-R591 HydrophobicContact CB-CG 3.87Å; R591-D593 IonicContact CZ-OD1 2.87Å; R591-D593 IonicContact CZ-OD2 2.63Å; R591-D593 IonicContact NE-OD1 3.5Å; R591-D593 PolarHBondContact NE-OD1 3.32Å; R591-D593 IonicContact NE-OD2 2.67Å; R591-D593 PolarHBondContact NE-OD2 3.35Å; R591-D593 IonicContact NH2-OD1 3.93Å; R591-D593 IonicContact NH2-OD2 3.55Å; R591-D593 PolarHBondContact NH2-OD2 3.22Å; R591-D593 PolarHBondContact O-N 2.94Å; R591-K594 HydrophobicContact CB-CB 4.19Å; R591-K594 HydrophobicContact CB-CG 4.4Å; R591-K594 VanDerWaalsContact NH2-CE 3.32Å; R591-K594 PolarHBondContact O-N 2.9Å; R591-K594 VanDerWaalsContact O-N 3.13Å | ||
| 592 | E | 91.4 | Very high | 93.5 | Very high | 142 Ų | 142 | 60.7 Ų | 60.7 | 66% | 0.664 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -14.9 | 175.4 | -53.4 | -154.2 | 127.9 | 0 | 0 | 113.6 | K527 I590 K594 | K527-E592 IonicContact NZ-OE1 3.83Å; K527-E592 PolarHBondContact NZ-OE1 3.44Å; I590-E592 HydrophobicContact CG2-CG 4.29Å; I590-E592 PolarHBondContact O-N 3.05Å; I590-E592 VanDerWaalsContact O-N 3.14Å; E592-K594 VanDerWaalsContact C-N 3.27Å |
| 593 | D | 94.7 | Very high | 93.5 | Very high | 101 Ų | 101 | 62.9 Ų | 62.9 | 54% | 0.54 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -6.9 | 173.3 | 63.3 | -62.1 | 0 | 0 | 0 | 113.5 | R591 | R591-D593 IonicContact CZ-OD1 2.87Å; R591-D593 IonicContact CZ-OD2 2.63Å; R591-D593 IonicContact NE-OD1 3.5Å; R591-D593 PolarHBondContact NE-OD1 3.32Å; R591-D593 IonicContact NE-OD2 2.67Å; R591-D593 PolarHBondContact NE-OD2 3.35Å; R591-D593 IonicContact NH2-OD1 3.93Å; R591-D593 IonicContact NH2-OD2 3.55Å; R591-D593 PolarHBondContact NH2-OD2 3.22Å; R591-D593 PolarHBondContact O-N 2.94Å |
| 594 | K | 95.9 | Very high | 93.7 | Very high | 56 Ų | 56 | 65.3 Ų | 65.3 | 24% | 0.243 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -117.2 | 136.8 | 179.3 | -70.5 | -168.3 | 157.7 | -164 | 0 | 112 | D469 I562 R591 E592 Q598 | D469-K594 WeakPolarHBondContact OD2-CE 3.34Å; D469-K594 IonicContact OD2-NZ 3.34Å; D469-K594 PolarHBondContact OD2-NZ 3.44Å; I562-K594 HydrophobicContact CB-CB 4.46Å; I562-K594 HydrophobicContact CD1-CB 4Å; I562-K594 HydrophobicContact CG2-CD 4.42Å; R591-K594 HydrophobicContact CB-CB 4.19Å; R591-K594 HydrophobicContact CB-CG 4.4Å; R591-K594 VanDerWaalsContact NH2-CE 3.32Å; R591-K594 PolarHBondContact O-N 2.9Å; R591-K594 VanDerWaalsContact O-N 3.13Å; E592-K594 VanDerWaalsContact C-N 3.27Å; K594-Q598 VanDerWaalsContact CA-OE1 3.29Å |
| 595 | E | 96.7 | Very high | 94 | Very high | 114 Ų | 114 | 60.2 Ų | 60.2 | 53% | 0.533 | 29% | 0.289 | S | S | . | . | trans | -79.6 | 150.9 | 170.4 | -68 | -60.7 | 143.8 | 0 | 0 | 110.8 | I562 H597 Q598 | I562-E595 WeakPolarHBondContact CD1-O 3.32Å; E595-H597 PolarHBondContact O-N 3.48Å; E595-Q598 HydrophobicContact CB-CG 4.41Å; E595-Q598 WeakPolarHBondContact O-CB 3.38Å; E595-Q598 PolarHBondContact O-N 2.95Å | ||
| 596 | W | 96.6 | Very high | 94 | Very high | 37 Ų | 37 | 62.8 Ų | 62.8 | 14% | 0.14 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -52.8 | -32.7 | -175.5 | 67 | -90.6 | 0 | 0 | 0 | 114.7 | L471 K502 P503 F506 P557 C558 Q598 C599 | L471-W596 HydrophobicContact CD1-CB 3.83Å; K502-W596 HydrophobicContact CB-CH2 3.78Å; K502-W596 HydrophobicContact CB-CZ2 4.12Å; K502-W596 HydrophobicContact CD-CH2 4.26Å; K502-W596 HydrophobicContact CD-CZ2 3.69Å; K502-W596 HydrophobicContact CG-CZ2 4.49Å; P503-W596 WeakPolarHBondContact O-CH2 3.2Å; P503-W596 VanDerWaalsContact O-CZ3 3.22Å; P503-W596 WeakPolarHBondContact O-CZ3 3.25Å; F506-W596 HydrophobicContact CE2-CE3 4.37Å; F506-W596 AromaticContact CE2-CZ3 3.99Å; F506-W596 HydrophobicContact CE2-CZ3 3.99Å; F506-W596 AromaticContact CZ-CE3 3.83Å; F506-W596 HydrophobicContact CZ-CE3 3.83Å; F506-W596 AromaticContact CZ-CZ3 3.75Å; F506-W596 HydrophobicContact CZ-CZ3 3.75Å; P557-W596 HydrophobicContact CB-CE3 3.95Å; P557-W596 HydrophobicContact CB-CZ3 4.15Å; P557-W596 WeakPolarHBondContact O-CB 3.39Å; C558-W596 HydrophobicContact CB-CD2 4.32Å; C558-W596 HydrophobicContact CB-CZ2 3.92Å; W596-Q598 PolarHBondContact O-N 3.32Å; W596-C599 WeakPolarHBondContact O-CB 3.45Å; W596-C599 PolarHBondContact O-N 3.18Å |
| 597 | H | 95.1 | Very high | 94 | Very high | 58 Ų | 58 | 62.3 Ų | 62.3 | 27% | 0.269 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -80.4 | -2.5 | -179.3 | 60.4 | 77.6 | 0 | 0 | 0 | 113.5 | K502 P503 E595 C599 | K502-H597 HydrophobicContact CB-CB 4.08Å; K502-H597 HydrophobicContact CD-CB 4.22Å; K502-H597 HydrophobicContact CG-CB 4.05Å; P503-H597 HydrophobicContact CG-CB 4.49Å; E595-H597 PolarHBondContact O-N 3.48Å; H597-C599 VanDerWaalsContact C-N 3.27Å |
| 598 | Q | 95.3 | Very high | 93.9 | Very high | 95 Ų | 95 | 64.3 Ų | 64.3 | 44% | 0.444 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -93.7 | 17.7 | 171 | -56.4 | 179.6 | -61.2 | 0 | 0 | 112.1 | I562 K594 E595 W596 | I562-Q598 HydrophobicContact CD1-CB 4.32Å; K594-Q598 VanDerWaalsContact CA-OE1 3.29Å; E595-Q598 HydrophobicContact CB-CG 4.41Å; E595-Q598 WeakPolarHBondContact O-CB 3.38Å; E595-Q598 PolarHBondContact O-N 2.95Å; W596-Q598 PolarHBondContact O-N 3.32Å |
| 599 | C | 95.9 | Very high | 93.9 | Very high | 6 Ų | 6 | 63.5 Ų | 63.5 | 4% | 0.041 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 144.6 | 173.7 | 178.3 | 0 | 0 | 0 | 0 | 110.1 | L471 A492 F506 I562 W596 H597 | L471-C599 HydrophobicContact CB-CB 4.05Å; L471-C599 VanDerWaalsContact CB-SG 3.59Å; L471-C599 PolarHBondContact N-SG 2.85Å; A492-C599 PolarHBondContact O-SG 3.5Å; A492-C599 VanDerWaalsContact O-SG 3.41Å; F506-C599 HydrophobicContact CE1-CB 4.15Å; I562-C599 HydrophobicContact CD1-CB 4.12Å; I562-C599 HydrophobicContact CG1-CB 4.49Å; W596-C599 WeakPolarHBondContact O-CB 3.45Å; W596-C599 PolarHBondContact O-N 3.18Å; H597-C599 VanDerWaalsContact C-N 3.27Å |
| 600 | M | 96.1 | Very high | 93.6 | Very high | 14 Ų | 14 | 63.8 Ų | 63.8 | 7% | 0.069 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -50.8 | 140.5 | 171 | 173.8 | 177.6 | -69.9 | 0 | 0 | 111.7 | L468 D469 L470 V493 A494 E604 L605 F608 | L468-M600 HydrophobicContact CB-CE 3.79Å; L468-M600 HydrophobicContact CB-SD 4.17Å; L468-M600 HydrophobicContact CD2-CE 3.79Å; L468-M600 HydrophobicContact CD2-SD 3.63Å; L468-M600 HydrophobicContact CG-CE 4.08Å; L468-M600 HydrophobicContact CG-SD 4.42Å; D469-M600 WeakPolarHBondContact O-CB 3.47Å; D469-M600 PolarHBondContact O-N 2.8Å; L470-M600 HydrophobicContact CD2-CB 4.42Å; L470-M600 HydrophobicContact CD2-SD 4.21Å; V493-M600 CarbonylContact C-O 3.54Å; V493-M600 WeakPolarHBondContact CA-O 3.48Å; V493-M600 WeakPolarHBondContact CB-O 3.38Å; V493-M600 HydrophobicContact CG1-CB 4.38Å; V493-M600 HydrophobicContact CG1-CG 4.15Å; V493-M600 HydrophobicContact CG1-SD 4.34Å; A494-M600 PolarHBondContact N-O 3.24Å; M600-E604 WeakPolarHBondContact CA-OE2 3.38Å; M600-E604 HydrophobicContact CG-CB 3.9Å; M600-L605 HydrophobicContact SD-CB 4.28Å; M600-L605 HydrophobicContact SD-CD1 4.44Å; M600-F608 HydrophobicContact CE-CD2 3.8Å; M600-F608 HydrophobicContact CE-CE2 3.45Å; M600-F608 VanDerWaalsContact CE-CE2 3.45Å; M600-F608 HydrophobicContact CE-CZ 4.39Å; M600-F608 HydrophobicContact SD-CD2 4.36Å |
| 601 | T | 96.8 | Very high | 93.1 | Very high | 27 Ų | 27 | 67.6 Ų | 67.6 | 17% | 0.166 | 33% | 0.329 | C | S | . | . | B | Isolated β-bridge | trans | -93 | 163.2 | 177.9 | 64 | 0 | 0 | 0 | 0 | 112.6 | A494 A603 E604 L605 | A494-T601 CarbonylContact O-C 3.53Å; A494-T601 VanDerWaalsContact O-CA 3.24Å; A494-T601 WeakPolarHBondContact O-CA 3.35Å; T601-A603 VanDerWaalsContact C-N 3.27Å; T601-A603 PolarHBondContact O-N 3.48Å; T601-E604 PolarHBondContact N-OE2 3.4Å; T601-E604 PolarHBondContact O-N 3.23Å; T601-E604 WeakPolarHBondContact OG1-CG 3.3Å; T601-E604 PolarHBondContact OG1-N 3.09Å; T601-E604 PolarHBondContact OG1-OE2 2.95Å; T601-E604 VanDerWaalsContact OG1-OE2 3.12Å; T601-L605 PolarHBondContact O-N 3.14Å |
| 602 | L | 95.4 | Very high | 92.3 | Very high | 44 Ų | 44 | 66.9 Ų | 66.9 | 23% | 0.23 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -55 | -41.2 | 171 | -76.1 | 167.9 | 0 | 0 | 0 | 112.9 | V493 A494 E495 H507 T578 E604 L605 D606 | V493-L602 HydrophobicContact CG2-CD2 3.58Å; V493-L602 HydrophobicContact CG2-CG 3.97Å; A494-L602 PolarHBondContact O-N 3.04Å; E495-L602 HydrophobicContact CG-CD1 4.02Å; H507-L602 HydrophobicContact CB-CD2 4.15Å; T578-L602 HydrophobicContact CG2-CD2 3.83Å; L602-E604 PolarHBondContact O-N 3.31Å; L602-L605 WeakPolarHBondContact O-CB 3.48Å; L602-L605 PolarHBondContact O-N 2.69Å; L602-D606 PolarHBondContact O-N 3.34Å |
| 603 | A | 92.8 | Very high | 91.8 | Very high | 55 Ų | 55 | 63.9 Ų | 63.9 | 46% | 0.455 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64.5 | -41.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112 | T601 D606 Q607 | T601-A603 VanDerWaalsContact C-N 3.27Å; T601-A603 PolarHBondContact O-N 3.48Å; A603-D606 PolarHBondContact O-N 3.03Å; A603-Q607 WeakPolarHBondContact O-CG 3.39Å; A603-Q607 PolarHBondContact O-N 3.22Å |
| 604 | E | 93.3 | Very high | 91.1 | Very high | 83 Ų | 83 | 59.2 Ų | 59.2 | 39% | 0.388 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65.2 | -41.2 | 174.2 | -70.8 | 167.5 | 143.3 | 0 | 0 | 111.3 | M600 T601 L602 D606 Q607 F608 | M600-E604 WeakPolarHBondContact CA-OE2 3.38Å; M600-E604 HydrophobicContact CG-CB 3.9Å; T601-E604 PolarHBondContact N-OE2 3.4Å; T601-E604 PolarHBondContact O-N 3.23Å; T601-E604 WeakPolarHBondContact OG1-CG 3.3Å; T601-E604 PolarHBondContact OG1-N 3.09Å; T601-E604 PolarHBondContact OG1-OE2 2.95Å; T601-E604 VanDerWaalsContact OG1-OE2 3.12Å; L602-E604 PolarHBondContact O-N 3.31Å; E604-D606 VanDerWaalsContact C-N 3.33Å; E604-D606 PolarHBondContact O-N 3.08Å; E604-Q607 WeakPolarHBondContact O-CB 3.38Å; E604-Q607 PolarHBondContact O-N 3.2Å; E604-F608 WeakPolarHBondContact O-CD2 3.33Å; E604-F608 PolarHBondContact O-N 2.85Å |
| 605 | L | 94.4 | Very high | 90.5 | Very high | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.3 | -43.6 | 175.2 | 180 | 66.9 | 0 | 0 | 0 | 111.8 | L468 V493 L509 I570 T578 M600 T601 L602 Q607 F608 R609 | L468-L605 HydrophobicContact CD2-CD1 4.01Å; V493-L605 HydrophobicContact CG1-CD2 4.28Å; V493-L605 HydrophobicContact CG2-CD2 4.18Å; L509-L605 HydrophobicContact CD1-CD1 4.41Å; L509-L605 HydrophobicContact CD1-CD2 3.83Å; L509-L605 HydrophobicContact CD2-CD1 4.05Å; L509-L605 HydrophobicContact CD2-CD2 4.28Å; I570-L605 HydrophobicContact CD1-CD1 3.83Å; T578-L605 HydrophobicContact CG2-CD2 3.98Å; M600-L605 HydrophobicContact SD-CB 4.28Å; M600-L605 HydrophobicContact SD-CD1 4.44Å; T601-L605 PolarHBondContact O-N 3.14Å; L602-L605 WeakPolarHBondContact O-CB 3.48Å; L602-L605 PolarHBondContact O-N 2.69Å; L605-Q607 VanDerWaalsContact C-N 3.32Å; L605-Q607 PolarHBondContact O-N 2.9Å; L605-F608 PolarHBondContact O-N 3.25Å; L605-R609 WeakPolarHBondContact O-CB 3.42Å; L605-R609 PolarHBondContact O-N 3.25Å |
| 606 | D | 91.6 | Very high | 89.9 | Confident | 74 Ų | 74 | 51.8 Ų | 51.8 | 40% | 0.396 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -65.4 | -34.9 | 176.5 | -76.9 | -29 | 0 | 0 | 0 | 112.1 | L602 A603 E604 R609 N610 | L602-D606 PolarHBondContact O-N 3.34Å; A603-D606 PolarHBondContact O-N 3.03Å; E604-D606 VanDerWaalsContact C-N 3.33Å; E604-D606 PolarHBondContact O-N 3.08Å; D606-R609 PolarHBondContact O-N 2.82Å; D606-N610 WeakPolarHBondContact O-CB 3.19Å; D606-N610 VanDerWaalsContact O-CG 3.25Å; D606-N610 PolarHBondContact O-N 3.24Å; D606-N610 PolarHBondContact O-ND2 2.99Å |
| 607 | Q | 90.4 | Very high | 89.2 | Confident | 130 Ų | 130 | 50.6 Ų | 50.6 | 61% | 0.607 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -61.8 | -47.7 | 171.8 | -70.7 | 171.6 | 9.4 | 0 | 0 | 111.5 | A603 E604 L605 R609 N610 K611 | A603-Q607 WeakPolarHBondContact O-CG 3.39Å; A603-Q607 PolarHBondContact O-N 3.22Å; E604-Q607 WeakPolarHBondContact O-CB 3.38Å; E604-Q607 PolarHBondContact O-N 3.2Å; L605-Q607 VanDerWaalsContact C-N 3.32Å; L605-Q607 PolarHBondContact O-N 2.9Å; Q607-R609 VanDerWaalsContact C-N 3.3Å; Q607-R609 PolarHBondContact O-N 3.42Å; Q607-N610 PolarHBondContact O-N 3.21Å; Q607-K611 VanDerWaalsContact O-CB 3.26Å; Q607-K611 WeakPolarHBondContact O-CB 3.42Å; Q607-K611 PolarHBondContact O-N 2.93Å |
| 608 | F | 89 | Confident | 88.2 | Confident | 47 Ų | 47 | 50 Ų | 50 | 21% | 0.206 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.2 | -41 | 175.8 | -78.1 | -70 | 0 | 0 | 0 | 111.9 | D466 L468 I570 M600 E604 L605 L616 | D466-F608 HydrophobicContact CB-CD1 3.81Å; D466-F608 HydrophobicContact CB-CE1 3.57Å; L468-F608 HydrophobicContact CD2-CD2 4.43Å; I570-F608 HydrophobicContact CD1-CB 3.91Å; M600-F608 HydrophobicContact CE-CD2 3.8Å; M600-F608 HydrophobicContact CE-CE2 3.45Å; M600-F608 VanDerWaalsContact CE-CE2 3.45Å; M600-F608 HydrophobicContact CE-CZ 4.39Å; M600-F608 HydrophobicContact SD-CD2 4.36Å; E604-F608 WeakPolarHBondContact O-CD2 3.33Å; E604-F608 PolarHBondContact O-N 2.85Å; L605-F608 PolarHBondContact O-N 3.25Å; F608-L616 HydrophobicContact CB-CD2 4.16Å; F608-L616 HydrophobicContact CD1-CD2 4.26Å; F608-L616 HydrophobicContact CG-CD2 4.45Å |
| 609 | R | 87.4 | Confident | 87.4 | Confident | 74 Ų | 74 | 52.3 Ų | 52.3 | 28% | 0.279 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.5 | -42.4 | 178.3 | -172.4 | -179.7 | 179.3 | -172.3 | 0.6 | 112.2 | I570 S572 L605 D606 Q607 S613 G614 | I570-R609 HydrophobicContact CD1-CB 4.1Å; I570-R609 HydrophobicContact CG2-CB 4.41Å; I570-R609 HydrophobicContact CG2-CG 4.14Å; S572-R609 PolarHBondContact OG-NH2 3.12Å; L605-R609 WeakPolarHBondContact O-CB 3.42Å; L605-R609 PolarHBondContact O-N 3.25Å; D606-R609 PolarHBondContact O-N 2.82Å; Q607-R609 VanDerWaalsContact C-N 3.3Å; Q607-R609 PolarHBondContact O-N 3.42Å; R609-S613 CarbonylContact O-C 3.57Å; R609-S613 PolarHBondContact O-N 3.31Å; R609-G614 PolarHBondContact O-N 3.43Å |
| 610 | N | 86.8 | Confident | 86.6 | Confident | 120 Ų | 120 | 56.4 Ų | 56.4 | 64% | 0.642 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -81.2 | -31.8 | -175.3 | -66.7 | -26.8 | 0 | 0 | 0 | 113 | D606 Q607 A612 | D606-N610 WeakPolarHBondContact O-CB 3.19Å; D606-N610 VanDerWaalsContact O-CG 3.25Å; D606-N610 PolarHBondContact O-N 3.24Å; D606-N610 PolarHBondContact O-ND2 2.99Å; Q607-N610 PolarHBondContact O-N 3.21Å; N610-A612 VanDerWaalsContact C-N 3.34Å; N610-A612 PolarHBondContact O-N 2.98Å |
| 611 | K | 84.2 | Confident | 85.8 | Confident | 111 Ų | 111 | 56.7 Ų | 56.7 | 48% | 0.483 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -54.2 | -43.2 | -175 | -179.6 | -177.5 | 171.3 | -156.2 | 0 | 114.1 | D466 Q607 S618 | D466-K611 IonicContact OD1-NZ 2.76Å; D466-K611 PolarHBondContact OD1-NZ 3.35Å; D466-K611 IonicContact OD2-NZ 2.64Å; D466-K611 PolarHBondContact OD2-NZ 2.91Å; Q607-K611 VanDerWaalsContact O-CB 3.26Å; Q607-K611 WeakPolarHBondContact O-CB 3.42Å; Q607-K611 PolarHBondContact O-N 2.93Å; K611-S618 WeakPolarHBondContact CE-OG 3.47Å; K611-S618 PolarHBondContact NZ-OG 3.04Å; K611-S618 VanDerWaalsContact NZ-OG 3.1Å |
| 612 | A | 79.4 | Confident | 84.9 | Confident | 15 Ų | 15 | 64.2 Ų | 64.2 | 12% | 0.124 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -135.2 | 37.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | N610 G614 K615 | N610-A612 VanDerWaalsContact C-N 3.34Å; N610-A612 PolarHBondContact O-N 2.98Å; A612-G614 PolarHBondContact O-N 3.35Å; A612-K615 HydrophobicContact CB-CB 4.16Å; A612-K615 WeakPolarHBondContact CB-O 3.48Å; A612-K615 PolarHBondContact O-N 2.91Å |
| 613 | S | 80.3 | Confident | 83.6 | Confident | 80 Ų | 80 | 65.5 Ų | 65.5 | 56% | 0.559 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.7 | 43.4 | 179.5 | -56.3 | 0 | 0 | 0 | 0 | 113.1 | R431 R609 | R431-S613 PolarHBondContact NH1-OG 2.94Å; R431-S613 PolarHBondContact NH2-OG 3.24Å; R609-S613 CarbonylContact O-C 3.57Å; R609-S613 PolarHBondContact O-N 3.31Å |
| 614 | G | 80.3 | Confident | 82 | Confident | 3 Ų | 3 | 69.9 Ų | 69.9 | 3% | 0.031 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 95 | -22 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | E569 I570 R609 A612 | E569-G614 CarbonylContact C-O 3.57Å; E569-G614 WeakPolarHBondContact CA-O 3.28Å; E569-G614 WeakPolarHBondContact CB-O 3.31Å; I570-G614 PolarHBondContact N-O 3.22Å; R609-G614 PolarHBondContact O-N 3.43Å; A612-G614 PolarHBondContact O-N 3.35Å |
| 615 | K | 82.9 | Confident | 80.2 | Confident | 14 Ų | 14 | 69.8 Ų | 69.8 | 6% | 0.061 | 34% | 0.339 | C | S | . | . | B | Isolated β-bridge | trans | -67.1 | 138.3 | 177.3 | -63.3 | -56.6 | -167.2 | -175.9 | 0 | 111 | R431 E569 A612 F617 | R431-K615 WeakPolarHBondContact O-CE 3.37Å; E569-K615 HydrophobicContact CB-CD 3.99Å; E569-K615 WeakPolarHBondContact OE2-CE 3.3Å; E569-K615 IonicContact OE2-NZ 2.8Å; E569-K615 PolarHBondContact OE2-NZ 2.89Å; A612-K615 HydrophobicContact CB-CB 4.16Å; A612-K615 WeakPolarHBondContact CB-O 3.48Å; A612-K615 PolarHBondContact O-N 2.91Å; K615-F617 VanDerWaalsContact C-N 3.28Å; K615-F617 HydrophobicContact CB-CD1 4.34Å; K615-F617 HydrophobicContact CB-CE1 4.11Å; K615-F617 HydrophobicContact CB-CE2 4.38Å; K615-F617 HydrophobicContact CB-CZ 4.14Å; K615-F617 HydrophobicContact CD-CE1 3.81Å; K615-F617 HydrophobicContact CD-CZ 3.7Å; K615-F617 HydrophobicContact CG-CE1 4.27Å; K615-F617 HydrophobicContact CG-CE2 4.4Å; K615-F617 HydrophobicContact CG-CZ 3.97Å |
| 616 | L | 84.9 | Confident | 77.8 | Confident | 0 Ų | 0 | 76.4 Ų | 76.4 | 0% | 0 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -98.1 | 26.8 | 177.9 | -68.7 | 166.5 | 0 | 0 | 0 | 112.1 | M465 D466 L468 A567 A568 I570 L582 F608 | M465-L616 CarbonylContact C-O 3.55Å; M465-L616 WeakPolarHBondContact CA-O 3.45Å; M465-L616 HydrophobicContact CE-CB 4.26Å; D466-L616 HydrophobicContact CB-CB 4.48Å; D466-L616 HydrophobicContact CB-CD2 4.28Å; D466-L616 PolarHBondContact N-O 2.77Å; L468-L616 HydrophobicContact CD1-CD1 3.68Å; L468-L616 HydrophobicContact CD1-CD2 4.31Å; L468-L616 HydrophobicContact CD2-CD2 4.48Å; A567-L616 HydrophobicContact CB-CD1 3.72Å; A567-L616 WeakPolarHBondContact O-CB 3.33Å; A567-L616 VanDerWaalsContact O-CD1 3.32Å; A567-L616 WeakPolarHBondContact O-CD1 3.34Å; A568-L616 PolarHBondContact O-N 3.01Å; I570-L616 HydrophobicContact CD1-CD2 4.02Å; I570-L616 HydrophobicContact CG1-CD1 4.24Å; I570-L616 HydrophobicContact CG1-CD2 4.22Å; I570-L616 HydrophobicContact CG1-CG 4.32Å; L582-L616 HydrophobicContact CD2-CD1 4.29Å; F608-L616 HydrophobicContact CB-CD2 4.16Å; F608-L616 HydrophobicContact CD1-CD2 4.26Å; F608-L616 HydrophobicContact CG-CD2 4.45Å |
| 617 | F | 80.2 | Confident | 75.3 | Confident | 12 Ų | 12 | 76.1 Ų | 76.1 | 5% | 0.053 | 37% | 0.372 | C | S | . | . | B | Isolated β-bridge | trans | -139.8 | 125.8 | 171.2 | 51.9 | -90.6 | 0 | 0 | 0 | 107.4 | I428 P458 L464 M465 K615 | I428-F617 HydrophobicContact CB-CD2 4.24Å; I428-F617 HydrophobicContact CB-CE2 4.44Å; I428-F617 HydrophobicContact CG1-CD2 3.81Å; I428-F617 HydrophobicContact CG1-CE2 4.13Å; I428-F617 HydrophobicContact CG2-CD2 3.89Å; I428-F617 HydrophobicContact CG2-CE2 4.39Å; P458-F617 HydrophobicContact CB-CB 3.73Å; P458-F617 HydrophobicContact CB-CD1 3.8Å; P458-F617 HydrophobicContact CB-CD2 3.87Å; P458-F617 HydrophobicContact CB-CE1 4.36Å; P458-F617 HydrophobicContact CB-CE2 4.43Å; P458-F617 HydrophobicContact CB-CG 3.52Å; P458-F617 HydrophobicContact CG-CB 4.5Å; P458-F617 HydrophobicContact CG-CD1 4.17Å; P458-F617 HydrophobicContact CG-CD2 3.7Å; P458-F617 HydrophobicContact CG-CE1 4.3Å; P458-F617 HydrophobicContact CG-CE2 3.85Å; P458-F617 HydrophobicContact CG-CG 3.87Å; P458-F617 HydrophobicContact CG-CZ 4.14Å; L464-F617 HydrophobicContact CD2-CB 4.22Å; M465-F617 HydrophobicContact CE-CD1 4.19Å; M465-F617 HydrophobicContact SD-CB 3.79Å; M465-F617 HydrophobicContact SD-CD1 3.98Å; M465-F617 HydrophobicContact SD-CG 4.31Å; K615-F617 VanDerWaalsContact C-N 3.28Å; K615-F617 HydrophobicContact CB-CD1 4.34Å; K615-F617 HydrophobicContact CB-CE1 4.11Å; K615-F617 HydrophobicContact CB-CE2 4.38Å; K615-F617 HydrophobicContact CB-CZ 4.14Å; K615-F617 HydrophobicContact CD-CE1 3.81Å; K615-F617 HydrophobicContact CD-CZ 3.7Å; K615-F617 HydrophobicContact CG-CE1 4.27Å; K615-F617 HydrophobicContact CG-CE2 4.4Å; K615-F617 HydrophobicContact CG-CZ 3.97Å |
| 618 | S | 74.6 | Confident | 72.7 | Confident | 44 Ų | 44 | 78 Ų | 78 | 31% | 0.308 | 38% | 0.381 | S | S | . | . | trans | -146.1 | 0.4 | -177.8 | 51.2 | 0 | 0 | 0 | 0 | 112.7 | K611 | K611-S618 WeakPolarHBondContact CE-OG 3.47Å; K611-S618 PolarHBondContact NZ-OG 3.04Å; K611-S618 VanDerWaalsContact NZ-OG 3.1Å | ||
| 619 | R | 78.2 | Confident | 70.1 | Confident | 144 Ų | 144 | 84.7 Ų | 84.7 | 54% | 0.543 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -99.6 | 138.1 | 180 | -65.9 | -179.4 | 178.9 | 161.9 | 2.5 | 109 | L464 | L464-R619 WeakPolarHBondContact CD1-O 3.47Š|
| 620 | H | 80.8 | Confident | 67.4 | Low | 92 Ų | 92 | 89.8 Ų | 89.8 | 43% | 0.426 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -73.7 | 144 | 168.6 | -73.2 | -172.3 | 0 | 0 | 0 | 110.5 | N425 D429 | N425-H620 WeakPolarHBondContact OD1-CA 3.21Å; D429-H620 IonicContact OD1-CD2 3.77Å; D429-H620 IonicContact OD1-CE1 3.3Å; D429-H620 IonicContact OD1-NE2 2.98Å; D429-H620 PolarHBondContact OD1-NE2 2.92Å; D429-H620 IonicContact OD2-CE1 2.76Å; D429-H620 PolarHBondContact OD2-CE1 3.06Å; D429-H620 VanDerWaalsContact OD2-CE1 3.3Å; D429-H620 IonicContact OD2-NE2 3.93Å; D429-H620 PolarHBondContact OD2-NE2 2.83Å |
| 621 | L | 78.9 | Confident | 64.7 | Low | 21 Ų | 21 | 93.3 Ų | 93.3 | 11% | 0.11 | 44% | 0.443 | C | S | . | . | P | Polyproline II helix | trans | -82.7 | 136.7 | 170.8 | -174.2 | 64 | 0 | 0 | 0 | 110.3 | M262 V421 L424 N425 V461 L464 | M262-L621 HydrophobicContact CE-CD2 3.55Å; M262-L621 HydrophobicContact SD-CD2 3.37Å; M262-L621 WeakPolarHBondContact SD-CD2 3.49Å; V421-L621 HydrophobicContact CG1-CB 4.27Å; V421-L621 HydrophobicContact CG1-CD2 4.48Å; V421-L621 HydrophobicContact CG1-CG 4.42Å; V421-L621 VanDerWaalsContact CG1-O 3.32Å; V421-L621 WeakPolarHBondContact CG1-O 3.43Å; V421-L621 HydrophobicContact CG2-CD2 4.15Å; L424-L621 HydrophobicContact CD2-CD2 4.35Å; N425-L621 PolarHBondContact ND2-O 3.08Å; N425-L621 PolarHBondContact OD1-N 2.83Å; V461-L621 HydrophobicContact CG1-CD1 3.68Å; V461-L621 HydrophobicContact CG1-CD2 4.1Å; L464-L621 HydrophobicContact CD1-CB 3.73Å; L464-L621 HydrophobicContact CD1-CD1 4.19Å |
| 622 | R | 77.1 | Confident | 62.1 | Low | 185 Ų | 185 | 99.6 Ų | 99.6 | 70% | 0.698 | 46% | 0.464 | S | S | * | . | trans | -115.1 | 144.3 | 167.2 | -57.3 | 178.5 | 174.6 | -179.2 | -2.1 | 110 | N624 D625 | R622-N624 PolarHBondContact O-N 3.39Å; R622-D625 WeakPolarHBondContact CB-OD2 3.42Å; R622-D625 PolarHBondContact N-OD2 2.88Å; R622-D625 WeakPolarHBondContact O-CB 3.29Å; R622-D625 PolarHBondContact O-N 2.93Å | ||
| 623 | I | 67.3 | Low | 59.7 | Low | 70 Ų | 70 | 108.5 Ų | 108.5 | 36% | 0.359 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -33.7 | 179.9 | -67.7 | -169.7 | 0 | 0 | 0 | 112.2 | Q418 V421 D625 | Q418-I623 HydrophobicContact CB-CD1 3.83Å; Q418-I623 HydrophobicContact CG-CD1 4.28Å; V421-I623 HydrophobicContact CG2-CG1 3.96Å; I623-D625 VanDerWaalsContact C-N 3.34Å |
| 624 | N | 60 | Low | 57.4 | Low | 148 Ų | 148 | 112.6 Ų | 112.6 | 79% | 0.791 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | 7.9 | -179.3 | -67.1 | -14.1 | 0 | 0 | 0 | 113.9 | R622 E626 | R622-N624 PolarHBondContact O-N 3.39Å; N624-E626 PolarHBondContact O-N 3.31Å |
| 625 | D | 56.4 | Low | 55.1 | Low | 80 Ų | 80 | 117.6 Ų | 117.6 | 43% | 0.428 | 55% | 0.546 | S | S | . | . | trans | -70.6 | 78.8 | 167.5 | -68.5 | -27 | 0 | 0 | 0 | 107.7 | R622 I623 | R622-D625 WeakPolarHBondContact CB-OD2 3.42Å; R622-D625 PolarHBondContact N-OD2 2.88Å; R622-D625 WeakPolarHBondContact O-CB 3.29Å; R622-D625 PolarHBondContact O-N 2.93Å; I623-D625 VanDerWaalsContact C-N 3.34Å | ||
| 626 | E | 42.6 | Very low | 52.7 | Low | 140 Ų | 140 | 121.5 Ų | 121.5 | 65% | 0.654 | 58% | 0.582 | S | S | * | * | trans | -50.4 | 127.4 | 153.6 | -84.1 | -77.8 | 122.4 | 0 | 0 | 105.8 | R263 N624 E628 | R263-E626 IonicContact NH1-OE1 3.65Å; N624-E626 PolarHBondContact O-N 3.31Å; E626-E628 PolarHBondContact O-N 2.94Å | ||
| 627 | P | 40.8 | Very low | 50.8 | Low | 68 Ų | 68 | 126.5 Ų | 126.5 | 44% | 0.442 | 62% | 0.623 | S | S | . | * | trans | -55.4 | 113.7 | 167.7 | 22.3 | -29 | 0 | 0 | 0 | 105.3 | K629 | P627-K629 PolarHBondContact O-N 3.18Š| ||
| 628 | E | 34.5 | Very low | 48.3 | Very low | 170 Ų | 170 | 130.1 Ų | 130.1 | 79% | 0.794 | 66% | 0.655 | S | S | * | * | trans | -58.1 | 89.2 | 165.2 | -80.3 | -166.3 | 162.2 | 0 | 0 | 105.6 | E626 K630 | E626-E628 PolarHBondContact O-N 2.94Å; E628-K630 PolarHBondContact O-N 2.95Å | ||
| 629 | K | 35.1 | Very low | 46.2 | Very low | 188 Ų | 188 | 137.3 Ų | 137.3 | 82% | 0.817 | 68% | 0.68 | S | S | * | * | trans | -56.3 | 94.8 | 144.5 | -79.4 | -175.9 | -179.5 | 175 | 0 | 102.3 | P627 K631 | P627-K629 PolarHBondContact O-N 3.18Å; K629-K631 PolarHBondContact O-N 3.37Å | ||
| 630 | K | 30.3 | Very low | 43.9 | Very low | 180 Ų | 180 | 136.8 Ų | 136.8 | 78% | 0.783 | 70% | 0.696 | S | S | * | * | trans | -45.6 | 99.5 | 169.1 | -86.4 | -178.2 | 175.7 | 173.9 | 0 | 105.6 | E628 R632 | E628-K630 PolarHBondContact O-N 2.95Å; K630-R632 PolarHBondContact O-N 3.3Å | ||
| 631 | K | 30.6 | Very low | 41.5 | Very low | 195 Ų | 195 | 141.1 Ų | 141.1 | 85% | 0.848 | 71% | 0.714 | S | S | * | * | trans | -54.4 | 116.1 | 165.7 | -79.8 | -178.7 | 176.7 | 176 | 0 | 102.7 | K629 K633 | K629-K631 PolarHBondContact O-N 3.37Å; K631-K633 PolarHBondContact O-N 2.81Å | ||
| 632 | R | 28.9 | Very low | 39.3 | Very low | 242 Ų | 242 | 149.9 Ų | 149.9 | 91% | 0.913 | 75% | 0.751 | S | S | * | * | trans | -46.2 | 107.7 | 174.8 | -85 | 172.9 | 151 | 176.2 | -5.9 | 107 | K630 L634 | K630-R632 PolarHBondContact O-N 3.3Å; R632-L634 PolarHBondContact O-N 3.47Å; R632-L634 VanDerWaalsContact O-N 3.13Å | ||
| 633 | K | 30.2 | Very low | 37 | Very low | 203 Ų | 203 | 145.4 Ų | 145.4 | 88% | 0.883 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 117.3 | 165.2 | -83.1 | -174.1 | 174.8 | -178.8 | 0 | 105.7 | K631 P635 | K631-K633 PolarHBondContact O-N 2.81Å; K633-P635 WeakPolarHBondContact O-CD 3.5Å |
| 634 | L | 30.7 | Very low | 35.4 | Very low | 166 Ų | 166 | 149.1 Ų | 149.1 | 87% | 0.869 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 122.6 | 169.7 | -76.7 | 149.1 | 0 | 0 | 0 | 108 | R632 | R632-L634 PolarHBondContact O-N 3.47Å; R632-L634 VanDerWaalsContact O-N 3.13Å |
| 635 | P | 32.8 | Very low | 34.1 | Very low | 107 Ų | 107 | 144.8 Ų | 144.8 | 70% | 0.695 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 130.5 | 167.2 | -4.9 | 21.5 | 0 | 0 | 0 | 108.5 | K633 | K633-P635 WeakPolarHBondContact O-CD 3.5Š|
| 636 | A | 32 | Very low | 33 | Very low | 97 Ų | 97 | 145 Ų | 145 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 134.9 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 637 | A | 44.6 | Very low | 32.9 | Very low | 104 Ų | 104 | 143.5 Ų | 143.5 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | S | Bend | trans | 17.3 | 99.2 | 166.7 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||
| 638 | A | 29.1 | Very low | 33.1 | Very low | 88 Ų | 88 | 146.6 Ų | 146.6 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | trans | -162.7 | 112 | 150.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 639 | K | 29.7 | Very low | 33.7 | Very low | 195 Ų | 195 | 143.4 Ų | 143.4 | 85% | 0.848 | 77% | 0.766 | S | S | * | * | trans | 53 | 140.8 | 156.1 | -65.3 | -176.8 | 179.9 | 179.7 | 0 | 119.4 | K641 | K639-K641 PolarHBondContact O-N 2.96Š| ||
| 640 | P | 30.3 | Very low | 34.1 | Very low | 134 Ų | 134 | 140 Ų | 140 | 87% | 0.87 | 75% | 0.752 | S | S | * | * | trans | -65.4 | 110.5 | -173.3 | 27.3 | -32.9 | 0 | 0 | 0 | 110.5 | K642 | P640-K642 PolarHBondContact O-N 3.36Š| ||
| 641 | K | 29.8 | Very low | 35.3 | Very low | 183 Ų | 183 | 137.5 Ų | 137.5 | 80% | 0.796 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 122.9 | 167.8 | -72.6 | 178.5 | 176.4 | 177.1 | 0 | 108 | K639 A643 | K639-K641 PolarHBondContact O-N 2.96Å; K641-A643 PolarHBondContact O-N 3.34Å; K641-A643 VanDerWaalsContact O-N 3.15Å |
| 642 | K | 32.4 | Very low | 36.6 | Very low | 204 Ų | 204 | 132.3 Ų | 132.3 | 89% | 0.887 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -56 | 119.1 | 162.5 | -81.6 | -178.5 | 174 | -179.5 | 0 | 107.7 | P640 V644 | P640-K642 PolarHBondContact O-N 3.36Å; K642-V644 PolarHBondContact O-N 3.43Å |
| 643 | A | 28.7 | Very low | 38.4 | Very low | 92 Ų | 92 | 124.4 Ų | 124.4 | 76% | 0.76 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -55 | 131.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | K641 G645 | K641-A643 PolarHBondContact O-N 3.34Å; K641-A643 VanDerWaalsContact O-N 3.15Å; A643-G645 VanDerWaalsContact C-N 3.27Å; A643-G645 PolarHBondContact O-N 3.29Å |
| 644 | V | 34.9 | Very low | 40.4 | Very low | 148 Ų | 148 | 120.2 Ų | 120.2 | 90% | 0.897 | 69% | 0.69 | S | S | * | * | trans | -63.5 | 97.8 | 163 | 176 | 0 | 0 | 0 | 0 | 105.5 | K642 V646 | K642-V644 PolarHBondContact O-N 3.43Å; V644-V646 PolarHBondContact O-N 3.07Å | ||
| 645 | G | 31.1 | Very low | 42.5 | Very low | 57 Ų | 57 | 114.5 Ų | 114.5 | 59% | 0.588 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 129.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | A643 I647 | A643-G645 VanDerWaalsContact C-N 3.27Å; A643-G645 PolarHBondContact O-N 3.29Å; G645-I647 PolarHBondContact O-N 3.37Å |
| 646 | V | 34.4 | Very low | 44 | Very low | 84 Ų | 84 | 114.4 Ų | 114.4 | 51% | 0.509 | 66% | 0.662 | S | S | . | * | P | Polyproline II helix | trans | -52 | 129.2 | 149.5 | 176.7 | 0 | 0 | 0 | 0 | 105.7 | V644 D648 F650 | V644-V646 PolarHBondContact O-N 3.07Å; V646-D648 PolarHBondContact O-N 3.18Å; V646-F650 HydrophobicContact CG1-CB 3.75Å |
| 647 | I | 40.8 | Very low | 45.5 | Very low | 108 Ų | 108 | 113.1 Ų | 113.1 | 55% | 0.554 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 127.8 | 177.8 | -38.4 | 171.3 | 0 | 0 | 0 | 107.3 | G645 H649 F650 | G645-I647 PolarHBondContact O-N 3.37Å; I647-H649 WeakPolarHBondContact CG2-CE1 3.3Å; I647-H649 VanDerWaalsContact CG2-NE2 3.28Å; I647-H649 WeakPolarHBondContact CG2-NE2 3.49Å; I647-H649 PolarHBondContact O-N 2.94Å; I647-F650 PolarHBondContact O-N 3.34Å |
| 648 | D | 44.1 | Very low | 47.1 | Very low | 134 Ų | 134 | 110 Ų | 110 | 72% | 0.717 | 63% | 0.628 | S | S | * | * | G | 310 helix | trans | -49.3 | -27.8 | -162.4 | -81 | -33.2 | 0 | 0 | 0 | 115.1 | V646 F650 K651 | V646-D648 PolarHBondContact O-N 3.18Å; D648-F650 VanDerWaalsContact C-N 3.33Å; D648-F650 PolarHBondContact O-N 3.4Å; D648-K651 PolarHBondContact O-N 3Å |
| 649 | H | 46.6 | Very low | 49.2 | Very low | 102 Ų | 102 | 111.4 Ų | 111.4 | 47% | 0.472 | 63% | 0.628 | S | S | . | * | G | 310 helix | trans | -75.8 | -8.4 | 179.4 | 37 | -94.3 | 0 | 0 | 0 | 116.2 | I647 K681 | I647-H649 WeakPolarHBondContact CG2-CE1 3.3Å; I647-H649 VanDerWaalsContact CG2-NE2 3.28Å; I647-H649 WeakPolarHBondContact CG2-NE2 3.49Å; I647-H649 PolarHBondContact O-N 2.94Å; H649-K681 PolarHBondContact O-NZ 2.88Å |
| 650 | F | 44.7 | Very low | 51.6 | Low | 117 Ų | 117 | 106.5 Ų | 106.5 | 51% | 0.513 | 61% | 0.606 | S | S | . | * | G | 310 helix | trans | -107.5 | 2.2 | 172.4 | -74.6 | -78.7 | 0 | 0 | 0 | 113.3 | V646 I647 D648 | V646-F650 HydrophobicContact CG1-CB 3.75Å; I647-F650 PolarHBondContact O-N 3.34Å; D648-F650 VanDerWaalsContact C-N 3.33Å; D648-F650 PolarHBondContact O-N 3.4Å |
| 651 | K | 55.4 | Low | 54.1 | Low | 127 Ų | 127 | 106.3 Ų | 106.3 | 55% | 0.552 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -86 | 122.6 | 176.1 | -144.1 | 176.4 | -177.6 | -174.7 | 0 | 107.5 | D648 Q653 | D648-K651 PolarHBondContact O-N 3Å; K651-Q653 PolarHBondContact O-N 3.41Å |
| 652 | S | 57.6 | Low | 56.6 | Low | 86 Ų | 86 | 99.8 Ų | 99.8 | 60% | 0.601 | 57% | 0.569 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 125.4 | 167.5 | 52.1 | 0 | 0 | 0 | 0 | 107.9 | D654 | S652-D654 PolarHBondContact O-N 2.97Š|
| 653 | Q | 67.7 | Low | 59.2 | Low | 76 Ų | 76 | 94.5 Ų | 94.5 | 36% | 0.355 | 55% | 0.551 | S | S | . | * | P | Polyproline II helix | trans | -63.1 | 137.8 | 172.5 | -170 | 60.2 | 26.3 | 0 | 0 | 108.6 | K651 L655 A682 | K651-Q653 PolarHBondContact O-N 3.41Å; Q653-L655 HydrophobicContact CB-CD2 4.33Å; Q653-L655 HydrophobicContact CG-CD2 4.24Å; Q653-L655 PolarHBondContact O-N 3.34Å; Q653-L655 VanDerWaalsContact O-N 3.11Å; Q653-A682 HydrophobicContact CG-CB 4.41Å |
| 654 | D | 71.3 | Confident | 61.9 | Low | 115 Ų | 115 | 92 Ų | 92 | 62% | 0.615 | 52% | 0.524 | S | S | * | . | trans | -71.1 | 108.2 | 170.9 | -173.6 | 3.2 | 0 | 0 | 0 | 108.4 | S652 S656 | S652-D654 PolarHBondContact O-N 2.97Å; D654-S656 VanDerWaalsContact OD1-CB 3.26Å; D654-S656 WeakPolarHBondContact OD1-CB 3.34Å; D654-S656 PolarHBondContact OD1-N 2.93Å; D654-S656 PolarHBondContact OD1-OG 2.81Å; D654-S656 PolarHBondContact OD2-OG 3.33Å | ||
| 655 | L | 74.1 | Confident | 64.6 | Low | 47 Ų | 47 | 85.1 Ų | 85.1 | 25% | 0.246 | 48% | 0.482 | C | S | . | . | trans | -100.6 | 1.8 | 179.9 | -60 | 171.4 | 0 | 0 | 0 | 111.8 | Q653 G657 V658 K686 A689 V695 | Q653-L655 HydrophobicContact CB-CD2 4.33Å; Q653-L655 HydrophobicContact CG-CD2 4.24Å; Q653-L655 PolarHBondContact O-N 3.34Å; Q653-L655 VanDerWaalsContact O-N 3.11Å; L655-G657 PolarHBondContact O-N 2.73Å; L655-V658 HydrophobicContact CB-CG2 4.48Å; L655-V658 HydrophobicContact CD2-CG2 4.18Å; L655-V658 PolarHBondContact O-N 3.49Å; L655-V658 VanDerWaalsContact O-N 3.15Å; L655-K686 HydrophobicContact CD2-CB 4.48Å; L655-K686 HydrophobicContact CD2-CG 3.79Å; L655-A689 HydrophobicContact CD1-CB 4.25Å; L655-A689 HydrophobicContact CD2-CB 4.28Å; L655-V695 HydrophobicContact CD1-CB 4.06Å; L655-V695 HydrophobicContact CD1-CG2 4.19Å | ||
| 656 | S | 64.6 | Low | 67.3 | Low | 105 Ų | 105 | 87.3 Ų | 87.3 | 73% | 0.734 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -20.1 | -175.8 | 64.3 | 0 | 0 | 0 | 0 | 114.4 | D654 | D654-S656 VanDerWaalsContact OD1-CB 3.26Å; D654-S656 WeakPolarHBondContact OD1-CB 3.34Å; D654-S656 PolarHBondContact OD1-N 2.93Å; D654-S656 PolarHBondContact OD1-OG 2.81Å; D654-S656 PolarHBondContact OD2-OG 3.33Å |
| 657 | G | 63.5 | Low | 69.6 | Low | 69 Ų | 69 | 90 Ų | 90 | 71% | 0.711 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.7 | 9.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | L655 | L655-G657 PolarHBondContact O-N 2.73Š|
| 658 | V | 78.4 | Confident | 71.9 | Confident | 40 Ų | 40 | 86.8 Ų | 86.8 | 24% | 0.242 | 47% | 0.474 | C | S | . | . | trans | -88 | 115.6 | 179.9 | 179.7 | 0 | 0 | 0 | 0 | 109.7 | L655 K686 A689 R690 | L655-V658 HydrophobicContact CB-CG2 4.48Å; L655-V658 HydrophobicContact CD2-CG2 4.18Å; L655-V658 PolarHBondContact O-N 3.49Å; L655-V658 VanDerWaalsContact O-N 3.15Å; V658-K686 HydrophobicContact CG2-CG 4.09Å; V658-A689 HydrophobicContact CG1-CB 4.25Å; V658-R690 HydrophobicContact CG1-CB 4.31Å; V658-R690 HydrophobicContact CG1-CG 3.35Å | ||
| 659 | T | 73.7 | Confident | 74.3 | Confident | 116 Ų | 116 | 82.4 Ų | 82.4 | 71% | 0.712 | 45% | 0.449 | S | S | * | . | trans | -74.3 | 127.4 | 175.6 | -33.6 | 0 | 0 | 0 | 0 | 110.1 | E661 | T659-E661 PolarHBondContact O-N 2.91Š| ||
| 660 | K | 79.4 | Confident | 76.6 | Confident | 92 Ų | 92 | 77.6 Ų | 77.6 | 40% | 0.4 | 43% | 0.427 | S | S | . | . | trans | -64 | 122.2 | 174.2 | -162.6 | -173.6 | -164.6 | -160.2 | 0 | 109 | T662 D663 E666 | K660-T662 WeakPolarHBondContact CG-O 3.47Å; K660-D663 VanDerWaalsContact CD-OD1 3.22Å; K660-D663 WeakPolarHBondContact CD-OD1 3.38Å; K660-D663 WeakPolarHBondContact CE-OD1 3.16Å; K660-D663 VanDerWaalsContact NZ-CG 3.27Å; K660-D663 IonicContact NZ-OD1 3.36Å; K660-D663 PolarHBondContact NZ-OD1 2.98Å; K660-D663 IonicContact NZ-OD2 3.98Å; K660-E666 IonicContact NZ-OE1 3.57Å; K660-E666 PolarHBondContact NZ-OE1 3.3Å | ||
| 661 | E | 82.9 | Confident | 78.8 | Confident | 131 Ų | 131 | 72 Ų | 72 | 61% | 0.612 | 40% | 0.402 | S | S | * | . | trans | -98.8 | -31.6 | 179.1 | -69.7 | 176.3 | -169.8 | 0 | 0 | 111.5 | T659 R690 | T659-E661 PolarHBondContact O-N 2.91Å; E661-R690 PolarHBondContact N-O 3.36Å; E661-R690 VanDerWaalsContact OE1-CD 3.31Å; E661-R690 WeakPolarHBondContact OE1-CD 3.19Å; E661-R690 IonicContact OE1-NH1 3.43Å; E661-R690 IonicContact OE2-NH1 3.76Å | ||
| 662 | T | 82.9 | Confident | 80.6 | Confident | 45 Ų | 45 | 66 Ų | 66 | 28% | 0.276 | 38% | 0.376 | S | S | . | . | trans | -149.4 | 165.1 | 179.4 | 66 | 0 | 0 | 0 | 0 | 110.9 | K660 M664 R690 C691 G692 | K660-T662 WeakPolarHBondContact CG-O 3.47Å; T662-M664 HydrophobicContact CG2-CE 4.22Å; T662-M664 WeakPolarHBondContact OG1-CE 3.46Å; T662-R690 PolarHBondContact N-O 3.03Å; T662-C691 CarbonylContact O-C 3.57Å; T662-C691 WeakPolarHBondContact O-CA 3.4Å; T662-C691 WeakPolarHBondContact OG1-CA 2.97Å; T662-G692 PolarHBondContact O-N 2.86Å | ||
| 663 | D | 85.6 | Confident | 82 | Confident | 94 Ų | 94 | 62.7 Ų | 62.7 | 50% | 0.503 | 35% | 0.351 | S | S | . | . | trans | -108.2 | 17.3 | -178.6 | -54.9 | -25.3 | 0 | 0 | 0 | 112.5 | K660 F665 E666 C691 | K660-D663 VanDerWaalsContact CD-OD1 3.22Å; K660-D663 WeakPolarHBondContact CD-OD1 3.38Å; K660-D663 WeakPolarHBondContact CE-OD1 3.16Å; K660-D663 VanDerWaalsContact NZ-CG 3.27Å; K660-D663 IonicContact NZ-OD1 3.36Å; K660-D663 PolarHBondContact NZ-OD1 2.98Å; K660-D663 IonicContact NZ-OD2 3.98Å; D663-F665 PolarHBondContact O-N 3.03Å; D663-F665 VanDerWaalsContact O-N 3.11Å; D663-E666 HydrophobicContact CB-CB 4.37Å; D663-E666 WeakPolarHBondContact O-CB 3.4Å; D663-E666 PolarHBondContact O-N 2.82Å; D663-E666 VanDerWaalsContact O-N 3.12Å; D663-C691 CarbonylContact C-O 3.51Å | ||
| 664 | M | 86 | Confident | 82.9 | Confident | 40 Ų | 40 | 59.9 Ų | 59.9 | 20% | 0.197 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -20.4 | -171.3 | 67.5 | 172.7 | 75.9 | 0 | 0 | 114.7 | T662 C691 K739 V741 | T662-M664 HydrophobicContact CG2-CE 4.22Å; T662-M664 WeakPolarHBondContact OG1-CE 3.46Å; M664-C691 HydrophobicContact CG-CB 3.6Å; M664-C691 PolarHBondContact N-O 3.3Å; M664-C691 HydrophobicContact SD-CB 4.11Å; M664-K739 HydrophobicContact CE-CB 4.48Å; M664-V741 HydrophobicContact CB-CG2 4.25Å; M664-V741 VanDerWaalsContact O-CG2 3.27Å; M664-V741 WeakPolarHBondContact O-CG2 3.48Å |
| 665 | F | 91.4 | Very high | 83.7 | Confident | 3 Ų | 3 | 55.4 Ų | 55.4 | 1% | 0.013 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.3 | 21.9 | 178.1 | -65.4 | -40.1 | 0 | 0 | 0 | 112.4 | D663 D667 V668 F670 C691 G692 G693 W731 L732 C735 V741 | D663-F665 PolarHBondContact O-N 3.03Å; D663-F665 VanDerWaalsContact O-N 3.11Å; F665-D667 PolarHBondContact O-N 3.04Å; F665-V668 WeakPolarHBondContact O-CB 3.28Å; F665-V668 PolarHBondContact O-N 3.21Å; F665-F670 HydrophobicContact CB-CE2 3.86Å; F665-F670 HydrophobicContact CB-CZ 4.44Å; F665-F670 AromaticContact CD1-CE2 3.9Å; F665-F670 HydrophobicContact CD1-CE2 3.9Å; F665-F670 AromaticContact CD1-CZ 3.59Å; F665-F670 HydrophobicContact CD1-CZ 3.59Å; F665-F670 HydrophobicContact CD2-CE2 4.24Å; F665-F670 HydrophobicContact CD2-CZ 4.37Å; F665-F670 AromaticContact CE1-CZ 3.85Å; F665-F670 HydrophobicContact CE1-CZ 3.85Å; F665-F670 AromaticContact CG-CE2 3.75Å; F665-F670 HydrophobicContact CG-CE2 3.75Å; F665-F670 AromaticContact CG-CZ 3.9Å; F665-F670 HydrophobicContact CG-CZ 3.9Å; F665-F670 HydrophobicContact CZ-CZ 4.39Å; F665-C691 HydrophobicContact CB-CB 4.4Å; F665-C691 WeakPolarHBondContact CB-O 3.37Å; F665-C691 HydrophobicContact CD2-CB 3.44Å; F665-C691 VanDerWaalsContact CD2-CB 3.44Å; F665-C691 HydrophobicContact CE2-CB 4.05Å; F665-C691 HydrophobicContact CG-CB 4.26Å; F665-C691 PolarHBondContact N-O 3.14Å; F665-G692 CarbonylContact O-C 3.53Å; F665-G693 WeakPolarHBondContact O-CA 3.31Å; F665-G693 PolarHBondContact O-N 2.88Å; F665-W731 HydrophobicContact CE1-CH2 4.17Å; F665-W731 HydrophobicContact CZ-CH2 4.27Å; F665-L732 HydrophobicContact CE2-CD1 3.58Å; F665-L732 HydrophobicContact CZ-CD1 4.02Å; F665-C735 HydrophobicContact CZ-CB 4.03Å; F665-V741 HydrophobicContact CD1-CG2 3.98Å; F665-V741 HydrophobicContact CE1-CB 4.46Å; F665-V741 HydrophobicContact CE1-CG1 4.23Å; F665-V741 HydrophobicContact CE1-CG2 3.63Å |
| 666 | E | 88.4 | Confident | 84.1 | Confident | 102 Ų | 102 | 56.3 Ų | 56.3 | 48% | 0.477 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | 131.1 | 178.8 | -175.8 | 157.9 | -113.8 | 0 | 0 | 111.9 | K660 D663 V668 | K660-E666 IonicContact NZ-OE1 3.57Å; K660-E666 PolarHBondContact NZ-OE1 3.3Å; D663-E666 HydrophobicContact CB-CB 4.37Å; D663-E666 WeakPolarHBondContact O-CB 3.4Å; D663-E666 PolarHBondContact O-N 2.82Å; D663-E666 VanDerWaalsContact O-N 3.12Å; E666-V668 WeakPolarHBondContact O-CG2 3.23Å; E666-V668 PolarHBondContact O-N 3Å; E666-V668 VanDerWaalsContact O-N 3.12Å |
| 667 | D | 82.2 | Confident | 84.8 | Confident | 141 Ų | 141 | 61 Ų | 61 | 75% | 0.754 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.8 | 14.9 | -176.2 | -59.9 | -36.4 | 0 | 0 | 0 | 116 | F665 | F665-D667 PolarHBondContact O-N 3.04Š|
| 668 | V | 90.3 | Very high | 85.7 | Confident | 41 Ų | 41 | 61 Ų | 61 | 25% | 0.248 | 33% | 0.329 | C | S | . | . | trans | -100.8 | 126.8 | 177.4 | -172.4 | 0 | 0 | 0 | 0 | 111.1 | F665 E666 F670 I694 Y704 | F665-V668 WeakPolarHBondContact O-CB 3.28Å; F665-V668 PolarHBondContact O-N 3.21Å; E666-V668 WeakPolarHBondContact O-CG2 3.23Å; E666-V668 PolarHBondContact O-N 3Å; E666-V668 VanDerWaalsContact O-N 3.12Å; V668-F670 HydrophobicContact CB-CE2 3.7Å; V668-F670 HydrophobicContact CB-CZ 4.26Å; V668-F670 HydrophobicContact CG1-CD2 4.17Å; V668-F670 HydrophobicContact CG1-CE1 4.46Å; V668-F670 HydrophobicContact CG1-CE2 3.38Å; V668-F670 HydrophobicContact CG1-CZ 3.57Å; V668-F670 WeakPolarHBondContact O-CD2 3.38Å; V668-I694 PolarHBondContact O-N 3.49Å; V668-Y704 VanDerWaalsContact CG1-CB 3.43Å; V668-Y704 HydrophobicContact CG1-CD1 3.87Å; V668-Y704 HydrophobicContact CG1-CD2 4.25Å; V668-Y704 HydrophobicContact CG1-CG 3.59Å | ||
| 669 | E | 93.4 | Very high | 86.2 | Confident | 42 Ų | 42 | 62.2 Ų | 62.2 | 20% | 0.196 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 128.1 | -179.9 | -173.2 | -176.9 | 105.1 | 0 | 0 | 112.6 | I694 V696 T703 Y704 | E669-I694 CarbonylContact C-O 3.57Å; E669-I694 WeakPolarHBondContact CA-O 3.06Å; E669-I694 HydrophobicContact CG-CG2 4.48Å; E669-V696 HydrophobicContact CG-CB 4.32Å; E669-V696 HydrophobicContact CG-CG1 3.65Å; E669-V696 HydrophobicContact CG-CG2 3.76Å; E669-V696 WeakPolarHBondContact OE1-CG2 3.43Å; E669-V696 WeakPolarHBondContact OE2-CG1 3.1Å; E669-T703 WeakPolarHBondContact OE1-CA 3.47Å; E669-T703 WeakPolarHBondContact OE1-CB 3.3Å; E669-T703 PolarHBondContact OE1-N 3.25Å; E669-T703 PolarHBondContact OE1-OG1 3.43Å; E669-Y704 WeakPolarHBondContact O-CB 3.28Å; E669-Y704 PolarHBondContact O-N 2.95Å |
| 670 | F | 94.8 | Very high | 86.9 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 144 | 176.7 | -63.6 | -92.6 | 0 | 0 | 0 | 111.6 | F665 V668 V688 I694 V695 V696 Y704 I707 W731 | F665-F670 HydrophobicContact CB-CE2 3.86Å; F665-F670 HydrophobicContact CB-CZ 4.44Å; F665-F670 AromaticContact CD1-CE2 3.9Å; F665-F670 HydrophobicContact CD1-CE2 3.9Å; F665-F670 AromaticContact CD1-CZ 3.59Å; F665-F670 HydrophobicContact CD1-CZ 3.59Å; F665-F670 HydrophobicContact CD2-CE2 4.24Å; F665-F670 HydrophobicContact CD2-CZ 4.37Å; F665-F670 AromaticContact CE1-CZ 3.85Å; F665-F670 HydrophobicContact CE1-CZ 3.85Å; F665-F670 AromaticContact CG-CE2 3.75Å; F665-F670 HydrophobicContact CG-CE2 3.75Å; F665-F670 AromaticContact CG-CZ 3.9Å; F665-F670 HydrophobicContact CG-CZ 3.9Å; F665-F670 HydrophobicContact CZ-CZ 4.39Å; V668-F670 HydrophobicContact CB-CE2 3.7Å; V668-F670 HydrophobicContact CB-CZ 4.26Å; V668-F670 HydrophobicContact CG1-CD2 4.17Å; V668-F670 HydrophobicContact CG1-CE1 4.46Å; V668-F670 HydrophobicContact CG1-CE2 3.38Å; V668-F670 HydrophobicContact CG1-CZ 3.57Å; V668-F670 WeakPolarHBondContact O-CD2 3.38Å; F670-V688 HydrophobicContact CB-CG1 4.08Å; F670-V688 HydrophobicContact CB-CG2 4.45Å; F670-V688 HydrophobicContact CD2-CG1 3.59Å; F670-V688 HydrophobicContact CE2-CG1 4.35Å; F670-V688 HydrophobicContact CG-CG1 4.06Å; F670-I694 PolarHBondContact N-O 2.97Å; F670-V695 WeakPolarHBondContact O-CA 3.09Å; F670-V696 PolarHBondContact O-N 3.46Å; F670-Y704 HydrophobicContact CD1-CD1 4.41Å; F670-Y704 AromaticContact CE1-CD1 3.62Å; F670-Y704 HydrophobicContact CE1-CD1 3.62Å; F670-Y704 HydrophobicContact CE1-CE1 4.23Å; F670-Y704 AromaticContact CZ-CD1 3.89Å; F670-Y704 HydrophobicContact CZ-CD1 3.89Å; F670-Y704 HydrophobicContact CZ-CE1 4.44Å; F670-I707 HydrophobicContact CB-CD1 4.38Å; F670-I707 HydrophobicContact CD1-CD1 3.79Å; F670-I707 HydrophobicContact CD1-CG1 4.28Å; F670-I707 HydrophobicContact CG-CD1 4.37Å; F670-W731 AromaticContact CE1-CH2 3.86Å; F670-W731 HydrophobicContact CE1-CH2 3.86Å; F670-W731 AromaticContact CE1-CZ3 3.86Å; F670-W731 HydrophobicContact CE1-CZ3 3.86Å; F670-W731 HydrophobicContact CZ-CH2 4.37Å |
| 671 | C | 92.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 113.6 | 170.3 | -178.5 | 0 | 0 | 0 | 0 | 110.5 | V696 P699 T703 C705 V706 I707 | C671-V696 HydrophobicContact CB-CG2 3.89Å; C671-P699 HydrophobicContact CB-CB 4.19Å; C671-T703 HydrophobicContact CB-CG2 3.93Å; C671-C705 PolarHBondContact N-O 3.21Å; C671-V706 HydrophobicContact CB-CG1 4.39Å; C671-V706 HydrophobicContact CB-CG2 4.13Å; C671-V706 CarbonylContact O-C 3.52Å; C671-V706 WeakPolarHBondContact O-CA 3.16Å; C671-V706 WeakPolarHBondContact O-CG1 3.43Å; C671-I707 PolarHBondContact O-N 3.36Å |
| 672 | V | 92.1 | Very high | 87.4 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 110.9 | 176 | -171 | 0 | 0 | 0 | 0 | 110.1 | K681 L684 E685 I707 | V672-K681 HydrophobicContact CG1-CG 3.97Å; V672-K681 WeakPolarHBondContact O-CE 3.37Å; V672-K681 PolarHBondContact O-NZ 3.11Å; V672-L684 HydrophobicContact CG1-CB 3.93Å; V672-L684 HydrophobicContact CG1-CD1 4.17Å; V672-E685 HydrophobicContact CB-CG 3.8Å; V672-E685 HydrophobicContact CG1-CG 4.35Å; V672-E685 HydrophobicContact CG2-CG 3.84Å; V672-I707 HydrophobicContact CG2-CB 4.43Å |
| 673 | M | 87.4 | Confident | 87.7 | Confident | 18 Ų | 18 | 55.1 Ų | 55.1 | 9% | 0.089 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | -41.5 | -173.9 | -71.4 | -63.5 | -71.1 | 0 | 0 | 113.3 | V706 I707 A708 R714 V715 | M673-V706 HydrophobicContact CB-CG1 4.26Å; M673-V706 HydrophobicContact CG-CG1 3.11Å; M673-V706 HydrophobicContact SD-CG1 4.15Å; M673-I707 PolarHBondContact N-O 3.49Å; M673-A708 HydrophobicContact CB-CB 4.38Å; M673-R714 HydrophobicContact CE-CB 3.71Å; M673-V715 HydrophobicContact CB-CG2 4.12Å |
| 674 | N | 86.9 | Confident | 87.9 | Confident | 17 Ų | 17 | 50.8 Ų | 50.8 | 9% | 0.091 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160 | 162.2 | 177.8 | 58.5 | 33.1 | 0 | 0 | 0 | 111.2 | A708 A709 V710 N712 | N674-A708 WeakPolarHBondContact OD1-CA 3.49Å; N674-A709 PolarHBondContact O-N 3.02Å; N674-A709 PolarHBondContact OD1-N 3.39Å; N674-V710 PolarHBondContact ND2-O 3.16Å; N674-V710 PolarHBondContact OD1-N 3.04Å; N674-V710 VanDerWaalsContact OD1-N 3.11Å; N674-N712 PolarHBondContact ND2-ND2 3.21Å |
| 675 | G | 86.6 | Confident | 88.2 | Confident | 21 Ų | 21 | 49 Ų | 49 | 22% | 0.216 | 27% | 0.267 | C | S | . | . | trans | -115.8 | -180 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | H679 | G675-H679 CarbonylContact C-O 3.56Å; G675-H679 WeakPolarHBondContact CA-O 3.31Å | ||
| 676 | N | 83.1 | Confident | 88.2 | Confident | 66 Ų | 66 | 52.9 Ų | 52.9 | 35% | 0.353 | 28% | 0.284 | S | S | . | . | trans | -115.6 | -176 | 173 | 63.4 | 19.1 | 0 | 0 | 0 | 110.2 | A678 H679 A709 V710 | N676-A678 VanDerWaalsContact C-N 3.27Å; N676-A678 PolarHBondContact O-N 3.35Å; N676-A678 PolarHBondContact OD1-N 2.95Å; N676-H679 PolarHBondContact N-O 3.34Å; N676-H679 CarbonylContact O-C 3.39Å; N676-H679 VanDerWaalsContact O-C 3.23Å; N676-H679 PolarHBondContact O-N 3.36Å; N676-H679 PolarHBondContact OD1-N 3.39Å; N676-A709 HydrophobicContact CB-CB 3.92Å; N676-V710 HydrophobicContact CB-CG2 4.33Å | ||
| 677 | E | 79.9 | Confident | 88.2 | Confident | 204 Ų | 204 | 48.2 Ų | 48.2 | 95% | 0.953 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -63.1 | -32.2 | -178.2 | -67.2 | -175.9 | 172.9 | 0 | 0 | 113.1 | ||
| 678 | A | 83 | Confident | 88.6 | Confident | 69 Ų | 69 | 41.5 Ų | 41.5 | 57% | 0.57 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -80.3 | -33.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113 | N676 | N676-A678 VanDerWaalsContact C-N 3.27Å; N676-A678 PolarHBondContact O-N 3.35Å; N676-A678 PolarHBondContact OD1-N 2.95Å |
| 679 | H | 87.1 | Confident | 88.5 | Confident | 64 Ų | 64 | 40.6 Ų | 40.6 | 30% | 0.296 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -133 | 86.6 | -177.8 | -57.3 | -65.9 | 0 | 0 | 0 | 109.4 | G675 N676 L684 L733 | G675-H679 CarbonylContact C-O 3.56Å; G675-H679 WeakPolarHBondContact CA-O 3.31Å; N676-H679 PolarHBondContact N-O 3.34Å; N676-H679 CarbonylContact O-C 3.39Å; N676-H679 VanDerWaalsContact O-C 3.23Å; N676-H679 PolarHBondContact O-N 3.36Å; N676-H679 PolarHBondContact OD1-N 3.39Å; H679-L684 HydrophobicContact CB-CD2 4.03Å; H679-L684 HydrophobicContact CB-CG 4.32Å; H679-L733 WeakPolarHBondContact CD2-CD1 3.19Å; H679-L733 WeakPolarHBondContact NE2-CD1 3.41Å |
| 680 | P | 88.4 | Confident | 88.3 | Confident | 59 Ų | 59 | 42.7 Ų | 42.7 | 38% | 0.383 | 23% | 0.23 | S | C | . | . | trans | -59.4 | 150.2 | 177.6 | -23.7 | 34.1 | 0 | 0 | 0 | 111.6 | A682 E683 L684 | P680-A682 PolarHBondContact O-N 2.91Å; P680-A682 VanDerWaalsContact O-N 3.11Å; P680-E683 PolarHBondContact O-N 2.96Å; P680-L684 PolarHBondContact O-N 3.48Å | ||
| 681 | K | 87.8 | Confident | 88 | Confident | 30 Ų | 30 | 42.9 Ų | 42.9 | 13% | 0.13 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -48.6 | -45 | -179.9 | 175.9 | 178 | 164 | 176.6 | 0 | 112.2 | H649 V672 E683 L684 E685 | H649-K681 PolarHBondContact O-NZ 2.88Å; V672-K681 HydrophobicContact CG1-CG 3.97Å; V672-K681 WeakPolarHBondContact O-CE 3.37Å; V672-K681 PolarHBondContact O-NZ 3.11Å; K681-E683 VanDerWaalsContact C-N 3.27Å; K681-E683 PolarHBondContact O-N 3.5Å; K681-L684 PolarHBondContact O-N 2.94Å; K681-E685 WeakPolarHBondContact CE-OE1 3.35Å; K681-E685 HydrophobicContact CG-CG 4.36Å; K681-E685 IonicContact NZ-OE1 2.6Å; K681-E685 WeakPolarHBondContact O-CG 3.42Å; K681-E685 PolarHBondContact O-N 3.13Å |
| 682 | A | 86.1 | Confident | 87.6 | Confident | 34 Ų | 34 | 43.7 Ų | 43.7 | 28% | 0.281 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63.4 | -30.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q653 P680 K686 | Q653-A682 HydrophobicContact CG-CB 4.41Å; P680-A682 PolarHBondContact O-N 2.91Å; P680-A682 VanDerWaalsContact O-N 3.11Å; A682-K686 VanDerWaalsContact O-CG 3.3Å; A682-K686 WeakPolarHBondContact O-CG 3.4Å; A682-K686 PolarHBondContact O-N 3.42Å; A682-K686 VanDerWaalsContact O-N 3.17Å |
| 683 | E | 88.4 | Confident | 87.5 | Confident | 112 Ų | 112 | 44 Ų | 44 | 52% | 0.523 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -75.1 | -38.4 | 175.6 | -66 | -155.1 | 142.4 | 0 | 0 | 111.9 | P680 K681 K686 A687 | P680-E683 PolarHBondContact O-N 2.96Å; K681-E683 VanDerWaalsContact C-N 3.27Å; K681-E683 PolarHBondContact O-N 3.5Å; E683-K686 PolarHBondContact O-N 3.21Å; E683-A687 WeakPolarHBondContact O-CB 3.48Å; E683-A687 PolarHBondContact O-N 3.33Å |
| 684 | L | 91.1 | Very high | 87.6 | Confident | 3 Ų | 3 | 47.1 Ų | 47.1 | 2% | 0.016 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.5 | -43.2 | 174.8 | -62.5 | 173.5 | 0 | 0 | 0 | 111.1 | V672 H679 P680 K681 K686 A687 V688 A729 L732 L733 | V672-L684 HydrophobicContact CG1-CB 3.93Å; V672-L684 HydrophobicContact CG1-CD1 4.17Å; H679-L684 HydrophobicContact CB-CD2 4.03Å; H679-L684 HydrophobicContact CB-CG 4.32Å; P680-L684 PolarHBondContact O-N 3.48Å; K681-L684 PolarHBondContact O-N 2.94Å; L684-K686 PolarHBondContact O-N 3.04Å; L684-A687 WeakPolarHBondContact O-CB 3.47Å; L684-A687 PolarHBondContact O-N 3.34Å; L684-A687 VanDerWaalsContact O-N 3.17Å; L684-V688 WeakPolarHBondContact O-CG2 3.3Å; L684-V688 PolarHBondContact O-N 2.86Å; L684-A729 HydrophobicContact CD1-CB 3.9Å; L684-A729 HydrophobicContact CD2-CB 4.37Å; L684-L732 HydrophobicContact CB-CD2 4.37Å; L684-L732 HydrophobicContact CD2-CD2 4.16Å; L684-L733 HydrophobicContact CD2-CD2 4.29Å |
| 685 | E | 92.1 | Very high | 87.8 | Confident | 4 Ų | 4 | 47.7 Ų | 47.7 | 2% | 0.019 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.5 | -42.8 | 174.9 | -68.1 | -178.8 | 151.3 | 0 | 0 | 111.9 | V672 K681 A687 V688 A689 V695 Q697 | V672-E685 HydrophobicContact CB-CG 3.8Å; V672-E685 HydrophobicContact CG1-CG 4.35Å; V672-E685 HydrophobicContact CG2-CG 3.84Å; K681-E685 WeakPolarHBondContact CE-OE1 3.35Å; K681-E685 HydrophobicContact CG-CG 4.36Å; K681-E685 IonicContact NZ-OE1 2.6Å; K681-E685 WeakPolarHBondContact O-CG 3.42Å; K681-E685 PolarHBondContact O-N 3.13Å; E685-A687 VanDerWaalsContact C-N 3.32Å; E685-A687 PolarHBondContact O-N 3.35Å; E685-V688 PolarHBondContact O-N 3.22Å; E685-A689 PolarHBondContact O-N 2.96Å; E685-A689 VanDerWaalsContact O-N 3.11Å; E685-V695 HydrophobicContact CB-CG1 4.04Å; E685-V695 HydrophobicContact CB-CG2 4.34Å; E685-V695 HydrophobicContact CG-CG1 3.7Å; E685-V695 WeakPolarHBondContact O-CG2 3.48Å; E685-Q697 PolarHBondContact OE1-NE2 2.85Å |
| 686 | K | 89.8 | Confident | 87.9 | Confident | 83 Ų | 83 | 48.1 Ų | 48.1 | 36% | 0.361 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.2 | -36.2 | 173.4 | -74.1 | 175.7 | -178.1 | -178.5 | 0 | 112.4 | L655 V658 A682 E683 L684 A689 R690 | L655-K686 HydrophobicContact CD2-CB 4.48Å; L655-K686 HydrophobicContact CD2-CG 3.79Å; V658-K686 HydrophobicContact CG2-CG 4.09Å; A682-K686 VanDerWaalsContact O-CG 3.3Å; A682-K686 WeakPolarHBondContact O-CG 3.4Å; A682-K686 PolarHBondContact O-N 3.42Å; A682-K686 VanDerWaalsContact O-N 3.17Å; E683-K686 PolarHBondContact O-N 3.21Å; L684-K686 PolarHBondContact O-N 3.04Å; K686-A689 PolarHBondContact O-N 3.25Å; K686-R690 WeakPolarHBondContact O-CG 3.44Å; K686-R690 PolarHBondContact O-N 3.01Å |
| 687 | A | 89.1 | Confident | 88 | Confident | 4 Ų | 4 | 47.3 Ų | 47.3 | 3% | 0.033 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -67.4 | -41 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | E683 L684 E685 A689 R690 C691 L736 | E683-A687 WeakPolarHBondContact O-CB 3.48Å; E683-A687 PolarHBondContact O-N 3.33Å; L684-A687 WeakPolarHBondContact O-CB 3.47Å; L684-A687 PolarHBondContact O-N 3.34Å; L684-A687 VanDerWaalsContact O-N 3.17Å; E685-A687 VanDerWaalsContact C-N 3.32Å; E685-A687 PolarHBondContact O-N 3.35Å; A687-A689 VanDerWaalsContact C-N 3.35Å; A687-R690 PolarHBondContact O-N 3.15Å; A687-C691 PolarHBondContact O-N 3.18Å; A687-C691 PolarHBondContact O-SG 3.15Å; A687-L736 HydrophobicContact CB-CD1 3.65Å; A687-L736 HydrophobicContact CB-CD2 4.31Å |
| 688 | V | 90.8 | Very high | 88.1 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59 | -47.6 | 171.1 | 173.7 | 0 | 0 | 0 | 0 | 110.4 | F670 L684 E685 R690 C691 G692 G693 V695 I707 L732 | F670-V688 HydrophobicContact CB-CG1 4.08Å; F670-V688 HydrophobicContact CB-CG2 4.45Å; F670-V688 HydrophobicContact CD2-CG1 3.59Å; F670-V688 HydrophobicContact CE2-CG1 4.35Å; F670-V688 HydrophobicContact CG-CG1 4.06Å; L684-V688 WeakPolarHBondContact O-CG2 3.3Å; L684-V688 PolarHBondContact O-N 2.86Å; E685-V688 PolarHBondContact O-N 3.22Å; V688-R690 PolarHBondContact O-N 3.27Å; V688-C691 PolarHBondContact O-N 2.89Å; V688-C691 VanDerWaalsContact O-N 3.12Å; V688-G692 PolarHBondContact O-N 2.6Å; V688-G693 PolarHBondContact O-N 2.78Å; V688-V695 HydrophobicContact CB-CG2 3.79Å; V688-V695 HydrophobicContact CG1-CG2 3.68Å; V688-I707 HydrophobicContact CG2-CD1 4.16Å; V688-L732 HydrophobicContact CG2-CD1 4.09Å; V688-L732 HydrophobicContact CG2-CD2 3.74Å |
| 689 | A | 89.1 | Confident | 88.3 | Confident | 22 Ų | 22 | 41.1 Ų | 41.1 | 18% | 0.182 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.3 | -39.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | L655 V658 E685 K686 A687 C691 G692 | L655-A689 HydrophobicContact CD1-CB 4.25Å; L655-A689 HydrophobicContact CD2-CB 4.28Å; V658-A689 HydrophobicContact CG1-CB 4.25Å; E685-A689 PolarHBondContact O-N 2.96Å; E685-A689 VanDerWaalsContact O-N 3.11Å; K686-A689 PolarHBondContact O-N 3.25Å; A687-A689 VanDerWaalsContact C-N 3.35Å; A689-C691 PolarHBondContact O-N 2.67Å; A689-G692 PolarHBondContact O-N 2.86Å |
| 690 | R | 88.1 | Confident | 88.2 | Confident | 86 Ų | 86 | 39.1 Ų | 39.1 | 33% | 0.325 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -59.6 | -26.3 | 174.1 | -79 | -174.1 | -67 | 156.5 | 0.4 | 113 | V658 E661 T662 K686 A687 V688 | V658-R690 HydrophobicContact CG1-CB 4.31Å; V658-R690 HydrophobicContact CG1-CG 3.35Å; E661-R690 PolarHBondContact N-O 3.36Å; E661-R690 VanDerWaalsContact OE1-CD 3.31Å; E661-R690 WeakPolarHBondContact OE1-CD 3.19Å; E661-R690 IonicContact OE1-NH1 3.43Å; E661-R690 IonicContact OE2-NH1 3.76Å; T662-R690 PolarHBondContact N-O 3.03Å; K686-R690 WeakPolarHBondContact O-CG 3.44Å; K686-R690 PolarHBondContact O-N 3.01Å; A687-R690 PolarHBondContact O-N 3.15Å; V688-R690 PolarHBondContact O-N 3.27Å |
| 691 | C | 88.4 | Confident | 88 | Confident | 4 Ų | 4 | 42.6 Ų | 42.6 | 3% | 0.027 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 8.7 | -179.8 | -64.8 | 0 | 0 | 0 | 0 | 113.4 | T662 D663 M664 F665 A687 V688 A689 L736 | T662-C691 CarbonylContact O-C 3.57Å; T662-C691 WeakPolarHBondContact O-CA 3.4Å; T662-C691 WeakPolarHBondContact OG1-CA 2.97Å; D663-C691 CarbonylContact C-O 3.51Å; M664-C691 HydrophobicContact CG-CB 3.6Å; M664-C691 PolarHBondContact N-O 3.3Å; M664-C691 HydrophobicContact SD-CB 4.11Å; F665-C691 HydrophobicContact CB-CB 4.4Å; F665-C691 WeakPolarHBondContact CB-O 3.37Å; F665-C691 HydrophobicContact CD2-CB 3.44Å; F665-C691 VanDerWaalsContact CD2-CB 3.44Å; F665-C691 HydrophobicContact CE2-CB 4.05Å; F665-C691 HydrophobicContact CG-CB 4.26Å; F665-C691 PolarHBondContact N-O 3.14Å; A687-C691 PolarHBondContact O-N 3.18Å; A687-C691 PolarHBondContact O-SG 3.15Å; V688-C691 PolarHBondContact O-N 2.89Å; V688-C691 VanDerWaalsContact O-N 3.12Å; A689-C691 PolarHBondContact O-N 2.67Å; C691-L736 WeakPolarHBondContact SG-CD2 3.4Å |
| 692 | G | 85.3 | Confident | 87.9 | Confident | 17 Ų | 17 | 47.5 Ų | 47.5 | 18% | 0.175 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87.1 | 2.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | T662 F665 V688 A689 | T662-G692 PolarHBondContact O-N 2.86Å; F665-G692 CarbonylContact O-C 3.53Å; V688-G692 PolarHBondContact O-N 2.6Å; A689-G692 PolarHBondContact O-N 2.86Å |
| 693 | G | 89.8 | Confident | 88.2 | Confident | 8 Ų | 8 | 46.5 Ų | 46.5 | 8% | 0.082 | 26% | 0.258 | C | S | . | . | P | Polyproline II helix | trans | -81.9 | 152.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | F665 V688 | F665-G693 WeakPolarHBondContact O-CA 3.31Å; F665-G693 PolarHBondContact O-N 2.88Å; V688-G693 PolarHBondContact O-N 2.78Å |
| 694 | I | 89.6 | Confident | 88.3 | Confident | 83 Ų | 83 | 46.2 Ų | 46.2 | 43% | 0.426 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 124.3 | 179.2 | -57.9 | 171.1 | 0 | 0 | 0 | 108.9 | V668 E669 F670 | V668-I694 PolarHBondContact O-N 3.49Å; E669-I694 CarbonylContact C-O 3.57Å; E669-I694 WeakPolarHBondContact CA-O 3.06Å; E669-I694 HydrophobicContact CG-CG2 4.48Å; F670-I694 PolarHBondContact N-O 2.97Å |
| 695 | V | 90.5 | Very high | 88.4 | Confident | 28 Ų | 28 | 46.1 Ų | 46.1 | 17% | 0.17 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 120 | 178.9 | 178.8 | 0 | 0 | 0 | 0 | 110.8 | L655 F670 E685 V688 | L655-V695 HydrophobicContact CD1-CB 4.06Å; L655-V695 HydrophobicContact CD1-CG2 4.19Å; F670-V695 WeakPolarHBondContact O-CA 3.09Å; E685-V695 HydrophobicContact CB-CG1 4.04Å; E685-V695 HydrophobicContact CB-CG2 4.34Å; E685-V695 HydrophobicContact CG-CG1 3.7Å; E685-V695 WeakPolarHBondContact O-CG2 3.48Å; V688-V695 HydrophobicContact CB-CG2 3.79Å; V688-V695 HydrophobicContact CG1-CG2 3.68Å |
| 696 | V | 88.5 | Confident | 88.4 | Confident | 31 Ų | 31 | 45.9 Ų | 45.9 | 19% | 0.188 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 152.9 | 171.5 | -64.8 | 0 | 0 | 0 | 0 | 112.1 | E669 F670 C671 N698 | E669-V696 HydrophobicContact CG-CB 4.32Å; E669-V696 HydrophobicContact CG-CG1 3.65Å; E669-V696 HydrophobicContact CG-CG2 3.76Å; E669-V696 WeakPolarHBondContact OE1-CG2 3.43Å; E669-V696 WeakPolarHBondContact OE2-CG1 3.1Å; F670-V696 PolarHBondContact O-N 3.46Å; C671-V696 HydrophobicContact CB-CG2 3.89Å; V696-N698 WeakPolarHBondContact CG2-O 3.26Å |
| 697 | Q | 84.6 | Confident | 88.6 | Confident | 48 Ų | 48 | 42 Ų | 42 | 22% | 0.224 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -89.4 | -17.2 | -178.2 | -66.4 | -58 | -48.2 | 0 | 0 | 113.8 | E685 | E685-Q697 PolarHBondContact OE1-NE2 2.85Š|
| 698 | N | 83.7 | Confident | 88.8 | Confident | 110 Ų | 110 | 41.8 Ų | 41.8 | 59% | 0.588 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -139.6 | 139.4 | 172.6 | -57.7 | -70.5 | 0 | 0 | 0 | 108.1 | V696 G700 | V696-N698 WeakPolarHBondContact CG2-O 3.26Å; N698-G700 PolarHBondContact O-N 3.22Å |
| 699 | P | 86.8 | Confident | 88.6 | Confident | 34 Ų | 34 | 42.4 Ų | 42.4 | 22% | 0.221 | 24% | 0.239 | C | C | . | . | trans | -70 | 131 | -178.6 | 28.7 | -32.5 | 0 | 0 | 0 | 110.8 | C671 T703 V706 L718 | C671-P699 HydrophobicContact CB-CB 4.19Å; P699-T703 VanDerWaalsContact CA-OG1 3.28Å; P699-T703 WeakPolarHBondContact CA-OG1 3.45Å; P699-T703 HydrophobicContact CB-CG2 4.1Å; P699-V706 HydrophobicContact CB-CG2 3.82Å; P699-V706 HydrophobicContact CG-CG2 4.21Å; P699-L718 HydrophobicContact CG-CD1 3.69Å; P699-L718 HydrophobicContact CG-CD2 4.45Å | ||
| 700 | G | 84.8 | Confident | 88.4 | Confident | 22 Ų | 22 | 45 Ų | 45 | 23% | 0.227 | 25% | 0.252 | C | S | . | . | trans | -107.6 | -174.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | N698 D702 T703 H724 | N698-G700 PolarHBondContact O-N 3.22Å; G700-D702 PolarHBondContact O-N 2.81Å; G700-T703 PolarHBondContact N-OG1 3.45Å; G700-T703 PolarHBondContact O-N 3.48Å; G700-T703 PolarHBondContact O-OG1 3.22Å; G700-H724 PolarHBondContact O-NE2 3.27Å | ||
| 701 | P | 83.4 | Confident | 88.1 | Confident | 131 Ų | 131 | 45 Ų | 45 | 85% | 0.851 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -30.3 | 178.6 | -22.8 | 34.3 | 0 | 0 | 0 | 113.9 | ||
| 702 | D | 86.6 | Confident | 87.7 | Confident | 134 Ų | 134 | 47.8 Ų | 47.8 | 72% | 0.717 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | 0.3 | -175.7 | -53.3 | -51 | 0 | 0 | 0 | 112.9 | G700 Y704 | G700-D702 PolarHBondContact O-N 2.81Å; D702-Y704 PolarHBondContact O-N 3.12Å |
| 703 | T | 91.6 | Very high | 86.6 | Confident | 12 Ų | 12 | 54.2 Ų | 54.2 | 7% | 0.074 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 115.5 | 177.3 | -56.9 | 0 | 0 | 0 | 0 | 109.9 | E669 C671 P699 G700 C705 V706 | E669-T703 WeakPolarHBondContact OE1-CA 3.47Å; E669-T703 WeakPolarHBondContact OE1-CB 3.3Å; E669-T703 PolarHBondContact OE1-N 3.25Å; E669-T703 PolarHBondContact OE1-OG1 3.43Å; C671-T703 HydrophobicContact CB-CG2 3.93Å; P699-T703 VanDerWaalsContact CA-OG1 3.28Å; P699-T703 WeakPolarHBondContact CA-OG1 3.45Å; P699-T703 HydrophobicContact CB-CG2 4.1Å; G700-T703 PolarHBondContact N-OG1 3.45Å; G700-T703 PolarHBondContact O-N 3.48Å; G700-T703 PolarHBondContact O-OG1 3.22Å; T703-C705 WeakPolarHBondContact CG2-O 3.24Å; T703-V706 HydrophobicContact CG2-CG2 4.34Å |
| 704 | Y | 90.6 | Very high | 85.9 | Confident | 107 Ų | 107 | 57.5 Ų | 57.5 | 42% | 0.42 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | -50.8 | -180 | 176.5 | -107.9 | 0 | 0 | 0 | 112.1 | V668 E669 F670 D702 W731 W744 | V668-Y704 VanDerWaalsContact CG1-CB 3.43Å; V668-Y704 HydrophobicContact CG1-CD1 3.87Å; V668-Y704 HydrophobicContact CG1-CD2 4.25Å; V668-Y704 HydrophobicContact CG1-CG 3.59Å; E669-Y704 WeakPolarHBondContact O-CB 3.28Å; E669-Y704 PolarHBondContact O-N 2.95Å; F670-Y704 HydrophobicContact CD1-CD1 4.41Å; F670-Y704 AromaticContact CE1-CD1 3.62Å; F670-Y704 HydrophobicContact CE1-CD1 3.62Å; F670-Y704 HydrophobicContact CE1-CE1 4.23Å; F670-Y704 AromaticContact CZ-CD1 3.89Å; F670-Y704 HydrophobicContact CZ-CD1 3.89Å; F670-Y704 HydrophobicContact CZ-CE1 4.44Å; D702-Y704 PolarHBondContact O-N 3.12Å; Y704-W731 HydrophobicContact CE1-CH2 4.28Å; Y704-W744 HydrophobicContact CD1-CH2 4.46Å; Y704-W744 AromaticContact CD1-CZ2 3.97Å; Y704-W744 HydrophobicContact CD1-CZ2 3.97Å; Y704-W744 AromaticContact CE1-CH2 3.97Å; Y704-W744 HydrophobicContact CE1-CH2 3.97Å; Y704-W744 AromaticContact CE1-CZ2 3.31Å; Y704-W744 HydrophobicContact CE1-CZ2 3.31Å; Y704-W744 HydrophobicContact CE2-CH2 4.26Å; Y704-W744 HydrophobicContact CE2-CZ2 4.38Å; Y704-W744 AromaticContact CZ-CH2 3.84Å; Y704-W744 AromaticContact CZ-CZ2 3.54Å |
| 705 | C | 92.6 | Very high | 85.6 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 164.8 | 170.2 | 71.3 | 0 | 0 | 0 | 0 | 112.8 | C671 T703 V727 W744 | C671-C705 PolarHBondContact N-O 3.21Å; T703-C705 WeakPolarHBondContact CG2-O 3.24Å; C705-V727 HydrophobicContact CB-CG1 4.35Å; C705-V727 HydrophobicContact CB-CG2 4.4Å; C705-W744 HydrophobicContact CB-CH2 3.88Å; C705-W744 HydrophobicContact CB-CZ2 3.56Å |
| 706 | V | 94 | Very high | 85.2 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 122.5 | 176.7 | -176.3 | 0 | 0 | 0 | 0 | 110.2 | C671 M673 P699 T703 L718 H724 D725 V726 V727 | C671-V706 HydrophobicContact CB-CG1 4.39Å; C671-V706 HydrophobicContact CB-CG2 4.13Å; C671-V706 CarbonylContact O-C 3.52Å; C671-V706 WeakPolarHBondContact O-CA 3.16Å; C671-V706 WeakPolarHBondContact O-CG1 3.43Å; M673-V706 HydrophobicContact CB-CG1 4.26Å; M673-V706 HydrophobicContact CG-CG1 3.11Å; M673-V706 HydrophobicContact SD-CG1 4.15Å; P699-V706 HydrophobicContact CB-CG2 3.82Å; P699-V706 HydrophobicContact CG-CG2 4.21Å; T703-V706 HydrophobicContact CG2-CG2 4.34Å; V706-L718 HydrophobicContact CB-CD2 3.83Å; V706-L718 HydrophobicContact CG1-CD2 3.59Å; V706-L718 HydrophobicContact CG2-CD2 3.68Å; V706-H724 HydrophobicContact CG2-CB 4.08Å; V706-D725 PolarHBondContact N-O 2.78Å; V706-V726 HydrophobicContact CB-CG1 4.43Å; V706-V726 HydrophobicContact CB-CG2 4.36Å; V706-V726 HydrophobicContact CG1-CG1 4.48Å; V706-V726 CarbonylContact O-C 3.56Å; V706-V726 WeakPolarHBondContact O-CA 3.49Å; V706-V727 PolarHBondContact O-N 3.06Å |
| 707 | I | 94 | Very high | 84.6 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 126.5 | -177.8 | -54.2 | 179.1 | 0 | 0 | 0 | 109.6 | F670 C671 V672 M673 V688 V727 A729 L732 | F670-I707 HydrophobicContact CB-CD1 4.38Å; F670-I707 HydrophobicContact CD1-CD1 3.79Å; F670-I707 HydrophobicContact CD1-CG1 4.28Å; F670-I707 HydrophobicContact CG-CD1 4.37Å; C671-I707 PolarHBondContact O-N 3.36Å; V672-I707 HydrophobicContact CG2-CB 4.43Å; M673-I707 PolarHBondContact N-O 3.49Å; V688-I707 HydrophobicContact CG2-CD1 4.16Å; I707-V727 HydrophobicContact CB-CG2 4.49Å; I707-V727 HydrophobicContact CG1-CG2 3.93Å; I707-A729 HydrophobicContact CG2-CB 4.01Å; I707-L732 HydrophobicContact CD1-CB 4.22Å; I707-L732 HydrophobicContact CD1-CD1 4.41Å; I707-L732 HydrophobicContact CD1-CD2 3.87Å; I707-L732 HydrophobicContact CD1-CG 4.38Å |
| 708 | A | 92.4 | Very high | 84.5 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 138.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | M673 N674 V715 V726 V727 W728 A729 I750 | M673-A708 HydrophobicContact CB-CB 4.38Å; N674-A708 WeakPolarHBondContact OD1-CA 3.49Å; A708-V715 HydrophobicContact CB-CG1 4.45Å; A708-V715 HydrophobicContact CB-CG2 3.77Å; A708-V726 HydrophobicContact CB-CG1 4.32Å; A708-V727 PolarHBondContact N-O 3.32Å; A708-W728 CarbonylContact O-C 3.4Å; A708-W728 VanDerWaalsContact O-CA 3.32Å; A708-W728 WeakPolarHBondContact O-CA 3.4Å; A708-A729 PolarHBondContact O-N 3.33Å; A708-I750 HydrophobicContact CB-CD1 3.74Å |
| 709 | A | 87.3 | Confident | 84.6 | Confident | 14 Ų | 14 | 56.9 Ų | 56.9 | 12% | 0.116 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -93.2 | -19.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | N674 N676 W728 A729 | N674-A709 PolarHBondContact O-N 3.02Å; N674-A709 PolarHBondContact OD1-N 3.39Å; N676-A709 HydrophobicContact CB-CB 3.92Å; A709-W728 WeakPolarHBondContact O-CZ3 3.27Å; A709-A729 HydrophobicContact CB-CB 3.85Å |
| 710 | V | 84.9 | Confident | 84.3 | Confident | 75 Ų | 75 | 59.7 Ų | 59.7 | 46% | 0.455 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -144.7 | 141.5 | -179 | -173.7 | 0 | 0 | 0 | 0 | 111.4 | N674 N676 N712 | N674-V710 PolarHBondContact ND2-O 3.16Å; N674-V710 PolarHBondContact OD1-N 3.04Å; N674-V710 VanDerWaalsContact OD1-N 3.11Å; N676-V710 HydrophobicContact CB-CG2 4.33Å; V710-N712 PolarHBondContact O-N 3.03Å |
| 711 | E | 80.8 | Confident | 84.2 | Confident | 87 Ų | 87 | 61 Ų | 61 | 41% | 0.407 | 33% | 0.325 | S | S | . | . | trans | -77.5 | 79.9 | 173.4 | -75.9 | -173.5 | -140.9 | 0 | 0 | 113.5 | W728 I750 | E711-W728 HydrophobicContact CG-CH2 4.07Å; E711-I750 HydrophobicContact CG-CG2 3.79Å | ||
| 712 | N | 79.4 | Confident | 84.2 | Confident | 62 Ų | 62 | 58.6 Ų | 58.6 | 33% | 0.332 | 31% | 0.305 | S | S | . | . | trans | -87.8 | 174.6 | 171.9 | 73.9 | 20.3 | 0 | 0 | 0 | 112.2 | N674 V710 R714 V715 K716 | N674-N712 PolarHBondContact ND2-ND2 3.21Å; V710-N712 PolarHBondContact O-N 3.03Å; N712-R714 PolarHBondContact O-N 3.02Å; N712-R714 VanDerWaalsContact O-N 3.17Å; N712-R714 WeakPolarHBondContact OD1-CB 3.46Å; N712-R714 PolarHBondContact OD1-N 3.24Å; N712-V715 PolarHBondContact O-N 2.95Å; N712-V715 VanDerWaalsContact O-N 3.11Å; N712-V715 PolarHBondContact OD1-N 3.22Å; N712-V715 VanDerWaalsContact OD1-N 3.1Å; N712-K716 PolarHBondContact O-N 3.23Å | ||
| 713 | M | 63.5 | Low | 84.1 | Confident | 152 Ų | 152 | 59.2 Ų | 59.2 | 75% | 0.749 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -58.5 | -29.1 | -179 | -76.3 | -157.4 | -65.1 | 0 | 0 | 114.4 | K716 N717 | M713-K716 PolarHBondContact O-N 3.02Å; M713-N717 WeakPolarHBondContact O-CB 3.41Å; M713-N717 PolarHBondContact O-N 3.43Å; M713-N717 PolarHBondContact O-ND2 3.28Å |
| 714 | R | 75 | Confident | 84.1 | Confident | 78 Ų | 78 | 59.8 Ų | 59.8 | 29% | 0.294 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -69.3 | -42.9 | 176.1 | -77.9 | -178.7 | 72.6 | 175.5 | 0.6 | 111.1 | M673 N712 N717 L718 | M673-R714 HydrophobicContact CE-CB 3.71Å; N712-R714 PolarHBondContact O-N 3.02Å; N712-R714 VanDerWaalsContact O-N 3.17Å; N712-R714 WeakPolarHBondContact OD1-CB 3.46Å; N712-R714 PolarHBondContact OD1-N 3.24Å; R714-N717 PolarHBondContact O-N 2.89Å; R714-L718 PolarHBondContact O-N 2.97Å |
| 715 | V | 83.4 | Confident | 84.2 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62 | -46.6 | 173.7 | 178 | 0 | 0 | 0 | 0 | 109.5 | M673 A708 N712 N717 L718 I719 V726 I750 | M673-V715 HydrophobicContact CB-CG2 4.12Å; A708-V715 HydrophobicContact CB-CG1 4.45Å; A708-V715 HydrophobicContact CB-CG2 3.77Å; N712-V715 PolarHBondContact O-N 2.95Å; N712-V715 VanDerWaalsContact O-N 3.11Å; N712-V715 PolarHBondContact OD1-N 3.22Å; N712-V715 VanDerWaalsContact OD1-N 3.1Å; V715-N717 VanDerWaalsContact C-N 3.32Å; V715-N717 PolarHBondContact O-N 3.4Å; V715-L718 WeakPolarHBondContact O-CA 3.38Å; V715-L718 WeakPolarHBondContact O-CB 3.2Å; V715-L718 PolarHBondContact O-N 3.36Å; V715-I719 HydrophobicContact CG1-CD1 3.87Å; V715-I719 HydrophobicContact CG1-CG1 4.27Å; V715-I719 VanDerWaalsContact O-CG1 3.23Å; V715-I719 WeakPolarHBondContact O-CG1 3.49Å; V715-I719 PolarHBondContact O-N 3.08Å; V715-V726 HydrophobicContact CG1-CG1 4.1Å; V715-I750 HydrophobicContact CG1-CG2 4.32Å |
| 716 | K | 81.9 | Confident | 84.3 | Confident | 114 Ų | 114 | 55.4 Ų | 55.4 | 50% | 0.496 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.8 | -37.5 | 176.1 | -67.5 | -175.3 | 179.5 | -174.1 | 0 | 113.8 | N712 M713 S720 | N712-K716 PolarHBondContact O-N 3.23Å; M713-K716 PolarHBondContact O-N 3.02Å; K716-S720 WeakPolarHBondContact O-CB 3.48Å; K716-S720 PolarHBondContact O-N 3.31Å |
| 717 | N | 74.9 | Confident | 84.3 | Confident | 108 Ų | 108 | 55.4 Ų | 55.4 | 58% | 0.578 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -68.1 | -37.1 | 174.6 | -72.2 | -17.3 | 0 | 0 | 0 | 111.9 | M713 R714 V715 S720 S721 | M713-N717 WeakPolarHBondContact O-CB 3.41Å; M713-N717 PolarHBondContact O-N 3.43Å; M713-N717 PolarHBondContact O-ND2 3.28Å; R714-N717 PolarHBondContact O-N 2.89Å; V715-N717 VanDerWaalsContact C-N 3.32Å; V715-N717 PolarHBondContact O-N 3.4Å; N717-S720 WeakPolarHBondContact CA-OG 3.18Å; N717-S720 PolarHBondContact O-N 2.91Å; N717-S720 PolarHBondContact O-OG 3.46Å; N717-S721 PolarHBondContact O-N 3.04Å |
| 718 | L | 82.1 | Confident | 84.3 | Confident | 22 Ų | 22 | 59.1 Ų | 59.1 | 12% | 0.115 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -67.8 | -45 | 175.1 | -172.2 | 72.8 | 0 | 0 | 0 | 111.5 | P699 V706 R714 V715 S720 S721 V726 | P699-L718 HydrophobicContact CG-CD1 3.69Å; P699-L718 HydrophobicContact CG-CD2 4.45Å; V706-L718 HydrophobicContact CB-CD2 3.83Å; V706-L718 HydrophobicContact CG1-CD2 3.59Å; V706-L718 HydrophobicContact CG2-CD2 3.68Å; R714-L718 PolarHBondContact O-N 2.97Å; V715-L718 WeakPolarHBondContact O-CA 3.38Å; V715-L718 WeakPolarHBondContact O-CB 3.2Å; V715-L718 PolarHBondContact O-N 3.36Å; L718-S720 PolarHBondContact O-N 2.87Å; L718-S721 WeakPolarHBondContact O-CA 3.21Å; L718-S721 WeakPolarHBondContact O-CB 3.35Å; L718-S721 PolarHBondContact O-N 3.39Å; L718-S721 PolarHBondContact O-OG 3.05Å; L718-V726 HydrophobicContact CD2-CG2 3.88Å; L718-V726 HydrophobicContact CG-CG2 4.46Å |
| 719 | I | 86.5 | Confident | 84.3 | Confident | 43 Ų | 43 | 59.3 Ų | 59.3 | 22% | 0.221 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -55.1 | -40 | 171.4 | -65 | 174.1 | 0 | 0 | 0 | 110.5 | V715 S721 D722 V726 I750 H751 | V715-I719 HydrophobicContact CG1-CD1 3.87Å; V715-I719 HydrophobicContact CG1-CG1 4.27Å; V715-I719 VanDerWaalsContact O-CG1 3.23Å; V715-I719 WeakPolarHBondContact O-CG1 3.49Å; V715-I719 PolarHBondContact O-N 3.08Å; I719-S721 PolarHBondContact O-N 3.11Å; I719-D722 PolarHBondContact O-N 3.21Å; I719-V726 HydrophobicContact CG1-CG2 4.37Å; I719-I750 HydrophobicContact CD1-CG2 3.76Å; I719-H751 HydrophobicContact CB-CB 4.3Å; I719-H751 HydrophobicContact CD1-CB 4.11Å; I719-H751 HydrophobicContact CG1-CB 3.61Å; I719-H751 HydrophobicContact CG2-CB 4.09Å |
| 720 | S | 80.9 | Confident | 84.3 | Confident | 93 Ų | 93 | 61.7 Ų | 61.7 | 65% | 0.65 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -16.4 | 178.3 | 81.5 | 0 | 0 | 0 | 0 | 114.3 | K716 N717 L718 | K716-S720 WeakPolarHBondContact O-CB 3.48Å; K716-S720 PolarHBondContact O-N 3.31Å; N717-S720 WeakPolarHBondContact CA-OG 3.18Å; N717-S720 PolarHBondContact O-N 2.91Å; N717-S720 PolarHBondContact O-OG 3.46Å; L718-S720 PolarHBondContact O-N 2.87Å |
| 721 | S | 82.2 | Confident | 84.8 | Confident | 50 Ų | 50 | 58.1 Ų | 58.1 | 35% | 0.35 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -23.3 | 175.6 | 77.3 | 0 | 0 | 0 | 0 | 112.9 | N717 L718 I719 Q723 | N717-S721 PolarHBondContact O-N 3.04Å; L718-S721 WeakPolarHBondContact O-CA 3.21Å; L718-S721 WeakPolarHBondContact O-CB 3.35Å; L718-S721 PolarHBondContact O-N 3.39Å; L718-S721 PolarHBondContact O-OG 3.05Å; I719-S721 PolarHBondContact O-N 3.11Å; S721-Q723 VanDerWaalsContact O-CG 3.22Å; S721-Q723 WeakPolarHBondContact O-CG 3.28Å; S721-Q723 PolarHBondContact O-N 3.45Å |
| 722 | D | 83.9 | Confident | 85.4 | Confident | 80 Ų | 80 | 54 Ų | 54 | 43% | 0.428 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.9 | 27.8 | 176 | -153.5 | 35.8 | 0 | 0 | 0 | 113.8 | I719 H751 P754 | I719-D722 PolarHBondContact O-N 3.21Å; D722-H751 IonicContact OD1-CE1 2.88Å; D722-H751 PolarHBondContact OD1-CE1 3.22Å; D722-H751 IonicContact OD1-NE2 3.11Å; D722-H751 PolarHBondContact OD1-NE2 3.31Å; D722-P754 WeakPolarHBondContact O-CD 3.45Å; D722-P754 WeakPolarHBondContact OD2-CG 3.29Å |
| 723 | Q | 85.4 | Confident | 85.9 | Confident | 146 Ų | 146 | 53.4 Ų | 53.4 | 68% | 0.682 | 28% | 0.28 | S | S | * | . | trans | -106.6 | -25.6 | -174.3 | -58 | -157.4 | -55.4 | 0 | 0 | 114.8 | S721 | S721-Q723 VanDerWaalsContact O-CG 3.22Å; S721-Q723 WeakPolarHBondContact O-CG 3.28Å; S721-Q723 PolarHBondContact O-N 3.45Å | ||
| 724 | H | 90.2 | Very high | 87.2 | Confident | 25 Ų | 25 | 47.9 Ų | 47.9 | 12% | 0.116 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -132.8 | 143.5 | -172.4 | -63 | 91.4 | 0 | 0 | 0 | 110.9 | G700 V706 H751 | G700-H724 PolarHBondContact O-NE2 3.27Å; V706-H724 HydrophobicContact CG2-CB 4.08Å; H724-H751 PolarHBondContact O-CD2 3.5Å |
| 725 | D | 93.6 | Very high | 87.9 | Confident | 14 Ų | 14 | 44.2 Ų | 44.2 | 8% | 0.075 | 24% | 0.238 | C | C | . | . | trans | -70 | 130.5 | 169.5 | -71.6 | -67.4 | 0 | 0 | 0 | 110.7 | V706 W744 M749 I752 S753 T756 | V706-D725 PolarHBondContact N-O 2.78Å; D725-W744 HydrophobicContact CB-CH2 4.14Å; D725-W744 HydrophobicContact CB-CZ3 4.16Å; D725-M749 HydrophobicContact CB-CE 3.93Å; D725-I752 WeakPolarHBondContact OD1-CA 3.46Å; D725-S753 PolarHBondContact OD1-N 3.48Å; D725-S753 PolarHBondContact OD1-OG 3.12Å; D725-S753 PolarHBondContact OD2-OG 3.35Å; D725-T756 VanDerWaalsContact CG-OG1 3.3Å; D725-T756 VanDerWaalsContact OD1-CB 3.26Å; D725-T756 WeakPolarHBondContact OD1-CB 3.5Å; D725-T756 PolarHBondContact OD1-OG1 3Å; D725-T756 WeakPolarHBondContact OD2-CB 3.35Å; D725-T756 PolarHBondContact OD2-OG1 3.24Å | ||
| 726 | V | 93.7 | Very high | 88.1 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 118.7 | 179.2 | -168.6 | 0 | 0 | 0 | 0 | 108.7 | V706 A708 V715 L718 I719 I750 H751 | V706-V726 HydrophobicContact CB-CG1 4.43Å; V706-V726 HydrophobicContact CB-CG2 4.36Å; V706-V726 HydrophobicContact CG1-CG1 4.48Å; V706-V726 CarbonylContact O-C 3.56Å; V706-V726 WeakPolarHBondContact O-CA 3.49Å; A708-V726 HydrophobicContact CB-CG1 4.32Å; V715-V726 HydrophobicContact CG1-CG1 4.1Å; L718-V726 HydrophobicContact CD2-CG2 3.88Å; L718-V726 HydrophobicContact CG-CG2 4.46Å; I719-V726 HydrophobicContact CG1-CG2 4.37Å; V726-I750 HydrophobicContact CB-CB 4.19Å; V726-I750 HydrophobicContact CG1-CB 4.04Å; V726-I750 HydrophobicContact CG1-CD1 3.94Å; V726-I750 HydrophobicContact CG1-CG2 4.41Å; V726-I750 WeakPolarHBondContact O-CB 3.27Å; V726-I750 PolarHBondContact O-N 3.5Å; V726-H751 HydrophobicContact CB-CB 4.11Å; V726-H751 HydrophobicContact CG2-CB 4.13Å; V726-H751 PolarHBondContact N-O 3.24Å; V726-H751 PolarHBondContact O-N 2.93Å; V726-H751 VanDerWaalsContact O-N 3.12Å |
| 727 | V | 94.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 147.9 | -176.2 | -58.2 | 0 | 0 | 0 | 0 | 111.7 | C705 V706 I707 A708 W731 W744 H748 M749 | C705-V727 HydrophobicContact CB-CG1 4.35Å; C705-V727 HydrophobicContact CB-CG2 4.4Å; V706-V727 PolarHBondContact O-N 3.06Å; I707-V727 HydrophobicContact CB-CG2 4.49Å; I707-V727 HydrophobicContact CG1-CG2 3.93Å; A708-V727 PolarHBondContact N-O 3.32Å; V727-W731 HydrophobicContact CG2-CE3 3.82Å; V727-W731 HydrophobicContact CG2-CZ3 4.33Å; V727-W744 HydrophobicContact CG1-CZ2 4.29Å; V727-H748 CarbonylContact C-O 3.6Å; V727-H748 VanDerWaalsContact CA-O 3.29Å; V727-H748 WeakPolarHBondContact CA-O 3.24Å; V727-M749 HydrophobicContact CG1-CE 4.05Å; V727-M749 HydrophobicContact CG1-SD 3.72Å |
| 728 | W | 93.3 | Very high | 89 | Confident | 79 Ų | 79 | 48.4 Ų | 48.4 | 30% | 0.299 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 140.5 | 172 | -72.7 | 111.3 | 0 | 0 | 0 | 110.7 | A708 A709 E711 A730 W731 H748 I750 | A708-W728 CarbonylContact O-C 3.4Å; A708-W728 VanDerWaalsContact O-CA 3.32Å; A708-W728 WeakPolarHBondContact O-CA 3.4Å; A709-W728 WeakPolarHBondContact O-CZ3 3.27Å; E711-W728 HydrophobicContact CG-CH2 4.07Å; W728-A730 HydrophobicContact CB-CB 4.35Å; W728-A730 PolarHBondContact O-N 2.92Å; W728-W731 WeakPolarHBondContact O-CB 3.41Å; W728-W731 PolarHBondContact O-N 3.29Å; W728-H748 PolarHBondContact N-O 3.36Å; W728-I750 HydrophobicContact CD2-CD1 3.64Å; W728-I750 HydrophobicContact CD2-CG1 3.36Å; W728-I750 HydrophobicContact CE3-CD1 3.59Å; W728-I750 HydrophobicContact CE3-CG1 3.82Å; W728-I750 HydrophobicContact CG-CD1 4.15Å; W728-I750 HydrophobicContact CG-CG1 3.74Å; W728-I750 HydrophobicContact CH2-CD1 4.22Å; W728-I750 HydrophobicContact CH2-CG1 4.05Å; W728-I750 HydrophobicContact CZ2-CD1 4.29Å; W728-I750 HydrophobicContact CZ2-CG1 3.64Å; W728-I750 HydrophobicContact CZ3-CD1 3.88Å; W728-I750 HydrophobicContact CZ3-CG1 4.14Å |
| 729 | A | 92.3 | Very high | 89.2 | Confident | 4 Ų | 4 | 55.2 Ų | 55.2 | 3% | 0.033 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -55.3 | -25.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | L684 I707 A708 A709 W731 L732 L733 | L684-A729 HydrophobicContact CD1-CB 3.9Å; L684-A729 HydrophobicContact CD2-CB 4.37Å; I707-A729 HydrophobicContact CG2-CB 4.01Å; A708-A729 PolarHBondContact O-N 3.33Å; A709-A729 HydrophobicContact CB-CB 3.85Å; A729-W731 PolarHBondContact O-N 3.38Å; A729-L732 PolarHBondContact O-N 3.44Å; A729-L732 VanDerWaalsContact O-N 3.16Å; A729-L733 WeakPolarHBondContact O-CG 3.31Å; A729-L733 PolarHBondContact O-N 2.69Å |
| 730 | A | 89.2 | Confident | 89.3 | Confident | 63 Ų | 63 | 58.5 Ų | 58.5 | 52% | 0.521 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -55.8 | -35 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | W728 L733 E734 | W728-A730 HydrophobicContact CB-CB 4.35Å; W728-A730 PolarHBondContact O-N 2.92Å; A730-L733 PolarHBondContact O-N 3.36Å; A730-E734 PolarHBondContact O-N 3.35Å |
| 731 | W | 94.2 | Very high | 89.6 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.6 | -43.2 | 176.7 | 167.7 | 75.9 | 0 | 0 | 0 | 112.2 | F665 F670 Y704 V727 W728 A729 L733 E734 C735 V741 V742 W744 H748 | F665-W731 HydrophobicContact CE1-CH2 4.17Å; F665-W731 HydrophobicContact CZ-CH2 4.27Å; F670-W731 AromaticContact CE1-CH2 3.86Å; F670-W731 HydrophobicContact CE1-CH2 3.86Å; F670-W731 AromaticContact CE1-CZ3 3.86Å; F670-W731 HydrophobicContact CE1-CZ3 3.86Å; F670-W731 HydrophobicContact CZ-CH2 4.37Å; Y704-W731 HydrophobicContact CE1-CH2 4.28Å; V727-W731 HydrophobicContact CG2-CE3 3.82Å; V727-W731 HydrophobicContact CG2-CZ3 4.33Å; W728-W731 WeakPolarHBondContact O-CB 3.41Å; W728-W731 PolarHBondContact O-N 3.29Å; A729-W731 PolarHBondContact O-N 3.38Å; W731-L733 VanDerWaalsContact C-N 3.29Å; W731-L733 PolarHBondContact O-N 3.29Å; W731-E734 PolarHBondContact O-N 2.84Å; W731-C735 VanDerWaalsContact CE2-SG 3.53Å; W731-C735 PolarHBondContact O-N 3.46Å; W731-C735 PolarHBondContact O-SG 2.99Å; W731-V741 HydrophobicContact CZ2-CG1 4.2Å; W731-V742 PolarHBondContact NE1-O 3.28Å; W731-W744 AromaticContact CD1-CD1 3.89Å; W731-W744 AromaticContact CD2-NE1 3.85Å; W731-W744 AromaticContact CE2-CD1 3.52Å; W731-W744 AromaticContact CE2-NE1 3.37Å; W731-W744 AromaticContact CH2-NE1 3.91Å; W731-W744 AromaticContact CZ2-CD1 3.93Å; W731-W744 AromaticContact CZ2-NE1 3.39Å; W731-W744 AromaticContact NE1-CD1 3.39Å; W731-W744 AromaticContact NE1-NE1 3.77Å; W731-H748 HydrophobicContact CB-CB 3.98Å; W731-H748 AromaticContact CD1-CG 3.83Å; W731-H748 AromaticContact CD1-ND1 3.61Å; W731-H748 HydrophobicContact CG-CB 4.29Å |
| 732 | L | 92.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.9 | -43.6 | 176.2 | 177.1 | 64.9 | 0 | 0 | 0 | 110.2 | F665 L684 V688 I707 A729 E734 C735 L736 | F665-L732 HydrophobicContact CE2-CD1 3.58Å; F665-L732 HydrophobicContact CZ-CD1 4.02Å; L684-L732 HydrophobicContact CB-CD2 4.37Å; L684-L732 HydrophobicContact CD2-CD2 4.16Å; V688-L732 HydrophobicContact CG2-CD1 4.09Å; V688-L732 HydrophobicContact CG2-CD2 3.74Å; I707-L732 HydrophobicContact CD1-CB 4.22Å; I707-L732 HydrophobicContact CD1-CD1 4.41Å; I707-L732 HydrophobicContact CD1-CD2 3.87Å; I707-L732 HydrophobicContact CD1-CG 4.38Å; A729-L732 PolarHBondContact O-N 3.44Å; A729-L732 VanDerWaalsContact O-N 3.16Å; L732-E734 VanDerWaalsContact C-N 3.32Å; L732-E734 PolarHBondContact O-N 2.89Å; L732-C735 WeakPolarHBondContact O-CB 3.42Å; L732-C735 PolarHBondContact O-N 3.21Å; L732-L736 HydrophobicContact CG-CD1 4.31Å; L732-L736 VanDerWaalsContact O-CG 3.28Å; L732-L736 WeakPolarHBondContact O-CG 3.41Å; L732-L736 PolarHBondContact O-N 3.45Å |
| 733 | L | 91.3 | Very high | 89.9 | Confident | 51 Ų | 51 | 56.2 Ų | 56.2 | 27% | 0.267 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.6 | -38.7 | 177.9 | -61.7 | 171.4 | 0 | 0 | 0 | 112.1 | H679 L684 A729 A730 W731 L736 D737 | H679-L733 WeakPolarHBondContact CD2-CD1 3.19Å; H679-L733 WeakPolarHBondContact NE2-CD1 3.41Å; L684-L733 HydrophobicContact CD2-CD2 4.29Å; A729-L733 WeakPolarHBondContact O-CG 3.31Å; A729-L733 PolarHBondContact O-N 2.69Å; A730-L733 PolarHBondContact O-N 3.36Å; W731-L733 VanDerWaalsContact C-N 3.29Å; W731-L733 PolarHBondContact O-N 3.29Å; L733-L736 HydrophobicContact CD2-CD1 4.26Å; L733-L736 PolarHBondContact O-N 3.02Å; L733-D737 PolarHBondContact O-N 2.94Å |
| 734 | E | 90.3 | Very high | 90 | Very high | 36 Ų | 36 | 51.1 Ų | 51.1 | 17% | 0.168 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.2 | -38.7 | 175.1 | -164.7 | 177.8 | 173.6 | 0 | 0 | 112 | A730 W731 L732 L736 D737 R738 V742 R747 H748 | A730-E734 PolarHBondContact O-N 3.35Å; W731-E734 PolarHBondContact O-N 2.84Å; L732-E734 VanDerWaalsContact C-N 3.32Å; L732-E734 PolarHBondContact O-N 2.89Å; E734-L736 VanDerWaalsContact C-N 3.33Å; E734-L736 PolarHBondContact O-N 3.32Å; E734-D737 PolarHBondContact O-N 3.26Å; E734-R738 WeakPolarHBondContact O-CG 3.3Å; E734-R738 PolarHBondContact O-N 2.81Å; E734-R738 IonicContact OE1-CZ 3.72Å; E734-R738 VanDerWaalsContact OE1-CZ 3.24Å; E734-R738 IonicContact OE1-NE 2.74Å; E734-R738 PolarHBondContact OE1-NE 2.88Å; E734-R738 IonicContact OE1-NH2 3.66Å; E734-R738 PolarHBondContact OE1-NH2 3.29Å; E734-V742 HydrophobicContact CG-CG2 4.18Å; E734-R747 IonicContact OE1-NH2 3.32Å; E734-R747 PolarHBondContact OE1-NH2 3.25Å; E734-R747 IonicContact OE2-NH2 3.3Å; E734-R747 PolarHBondContact OE2-NH2 3.05Å; E734-H748 IonicContact OE2-CE1 2.73Å; E734-H748 IonicContact OE2-NE2 3.06Å; E734-H748 PolarHBondContact OE2-NE2 3.26Å |
| 735 | C | 90.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.2 | -40 | 174.1 | -63 | 0 | 0 | 0 | 0 | 112 | F665 W731 L732 K739 Q740 V742 | F665-C735 HydrophobicContact CZ-CB 4.03Å; W731-C735 VanDerWaalsContact CE2-SG 3.53Å; W731-C735 PolarHBondContact O-N 3.46Å; W731-C735 PolarHBondContact O-SG 2.99Å; L732-C735 WeakPolarHBondContact O-CB 3.42Å; L732-C735 PolarHBondContact O-N 3.21Å; C735-K739 WeakPolarHBondContact O-CA 3.45Å; C735-K739 PolarHBondContact O-N 2.95Å; C735-Q740 VanDerWaalsContact CA-O 3.27Å; C735-Q740 WeakPolarHBondContact CA-O 3.46Å; C735-Q740 WeakPolarHBondContact CB-O 3.42Å; C735-Q740 PolarHBondContact O-N 3.18Å; C735-V742 PolarHBondContact SG-N 3.18Å |
| 736 | L | 88 | Confident | 89 | Confident | 42 Ų | 42 | 52.9 Ų | 52.9 | 22% | 0.22 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.8 | -43.7 | 177.4 | -65.9 | 169.5 | 0 | 0 | 0 | 111.9 | A687 C691 L732 L733 E734 K739 | A687-L736 HydrophobicContact CB-CD1 3.65Å; A687-L736 HydrophobicContact CB-CD2 4.31Å; C691-L736 WeakPolarHBondContact SG-CD2 3.4Å; L732-L736 HydrophobicContact CG-CD1 4.31Å; L732-L736 VanDerWaalsContact O-CG 3.28Å; L732-L736 WeakPolarHBondContact O-CG 3.41Å; L732-L736 PolarHBondContact O-N 3.45Å; L733-L736 HydrophobicContact CD2-CD1 4.26Å; L733-L736 PolarHBondContact O-N 3.02Å; E734-L736 VanDerWaalsContact C-N 3.33Å; E734-L736 PolarHBondContact O-N 3.32Å; L736-K739 PolarHBondContact O-N 3.43Å |
| 737 | D | 88.6 | Confident | 88.4 | Confident | 137 Ų | 137 | 56.5 Ų | 56.5 | 73% | 0.733 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -65.1 | -45.9 | -179.5 | -173.2 | 61 | 0 | 0 | 0 | 111.7 | L733 E734 K739 | L733-D737 PolarHBondContact O-N 2.94Å; E734-D737 PolarHBondContact O-N 3.26Å; D737-K739 VanDerWaalsContact C-N 3.26Å; D737-K739 PolarHBondContact O-N 3.34Å |
| 738 | R | 86.7 | Confident | 88.1 | Confident | 131 Ų | 131 | 56.9 Ų | 56.9 | 49% | 0.494 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -79.5 | -7 | 178.8 | -60.4 | -172.3 | -171.7 | -140.7 | 6.6 | 113.9 | E734 Q740 | E734-R738 WeakPolarHBondContact O-CG 3.3Å; E734-R738 PolarHBondContact O-N 2.81Å; E734-R738 IonicContact OE1-CZ 3.72Å; E734-R738 VanDerWaalsContact OE1-CZ 3.24Å; E734-R738 IonicContact OE1-NE 2.74Å; E734-R738 PolarHBondContact OE1-NE 2.88Å; E734-R738 IonicContact OE1-NH2 3.66Å; E734-R738 PolarHBondContact OE1-NH2 3.29Å; R738-Q740 HydrophobicContact CB-CG 3.9Å; R738-Q740 PolarHBondContact O-N 3.33Å |
| 739 | K | 85.4 | Confident | 87.9 | Confident | 165 Ų | 165 | 53.9 Ų | 53.9 | 72% | 0.717 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 31.6 | -174.1 | -58.3 | -175.7 | 179.8 | -177 | 0 | 114.2 | M664 C735 L736 D737 | M664-K739 HydrophobicContact CE-CB 4.48Å; C735-K739 WeakPolarHBondContact O-CA 3.45Å; C735-K739 PolarHBondContact O-N 2.95Å; L736-K739 PolarHBondContact O-N 3.43Å; D737-K739 VanDerWaalsContact C-N 3.26Å; D737-K739 PolarHBondContact O-N 3.34Å |
| 740 | Q | 88.3 | Confident | 87.7 | Confident | 112 Ų | 112 | 55 Ų | 55 | 52% | 0.523 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -151.9 | 155.4 | 179.6 | 65.2 | -178.2 | -6.7 | 0 | 0 | 110.5 | C735 R738 V742 | C735-Q740 VanDerWaalsContact CA-O 3.27Å; C735-Q740 WeakPolarHBondContact CA-O 3.46Å; C735-Q740 WeakPolarHBondContact CB-O 3.42Å; C735-Q740 PolarHBondContact O-N 3.18Å; R738-Q740 HydrophobicContact CB-CG 3.9Å; R738-Q740 PolarHBondContact O-N 3.33Å; Q740-V742 PolarHBondContact O-N 3.01Å |
| 741 | V | 87.3 | Confident | 87.7 | Confident | 65 Ų | 65 | 53.2 Ų | 53.2 | 39% | 0.394 | 26% | 0.259 | S | S | . | . | trans | -70.6 | 112.9 | 175.4 | -173.3 | 0 | 0 | 0 | 0 | 109.3 | M664 F665 W731 | M664-V741 HydrophobicContact CB-CG2 4.25Å; M664-V741 VanDerWaalsContact O-CG2 3.27Å; M664-V741 WeakPolarHBondContact O-CG2 3.48Å; F665-V741 HydrophobicContact CD1-CG2 3.98Å; F665-V741 HydrophobicContact CE1-CB 4.46Å; F665-V741 HydrophobicContact CE1-CG1 4.23Å; F665-V741 HydrophobicContact CE1-CG2 3.63Å; W731-V741 HydrophobicContact CZ2-CG1 4.2Å | ||
| 742 | V | 87.4 | Confident | 87.4 | Confident | 10 Ų | 10 | 55.4 Ų | 55.4 | 6% | 0.061 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -80.5 | 128.9 | 177.4 | -178.4 | 0 | 0 | 0 | 0 | 108.9 | W731 E734 C735 Q740 | W731-V742 PolarHBondContact NE1-O 3.28Å; E734-V742 HydrophobicContact CG-CG2 4.18Å; C735-V742 PolarHBondContact SG-N 3.18Å; Q740-V742 PolarHBondContact O-N 3.01Å |
| 743 | P | 84.9 | Confident | 87.2 | Confident | 101 Ų | 101 | 55.6 Ų | 55.6 | 66% | 0.656 | 27% | 0.272 | S | S | * | . | P | Polyproline II helix | trans | -54.5 | 142.6 | 174.4 | -26.1 | 34.6 | 0 | 0 | 0 | 112 | ||
| 744 | W | 88.1 | Confident | 86.8 | Confident | 38 Ų | 38 | 56.2 Ų | 56.2 | 14% | 0.144 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 141.1 | 177 | -67.1 | -24 | 0 | 0 | 0 | 110.8 | Y704 C705 D725 V727 W731 M749 T756 F760 | Y704-W744 HydrophobicContact CD1-CH2 4.46Å; Y704-W744 AromaticContact CD1-CZ2 3.97Å; Y704-W744 HydrophobicContact CD1-CZ2 3.97Å; Y704-W744 AromaticContact CE1-CH2 3.97Å; Y704-W744 HydrophobicContact CE1-CH2 3.97Å; Y704-W744 AromaticContact CE1-CZ2 3.31Å; Y704-W744 HydrophobicContact CE1-CZ2 3.31Å; Y704-W744 HydrophobicContact CE2-CH2 4.26Å; Y704-W744 HydrophobicContact CE2-CZ2 4.38Å; Y704-W744 AromaticContact CZ-CH2 3.84Å; Y704-W744 AromaticContact CZ-CZ2 3.54Å; C705-W744 HydrophobicContact CB-CH2 3.88Å; C705-W744 HydrophobicContact CB-CZ2 3.56Å; D725-W744 HydrophobicContact CB-CH2 4.14Å; D725-W744 HydrophobicContact CB-CZ3 4.16Å; V727-W744 HydrophobicContact CG1-CZ2 4.29Å; W731-W744 AromaticContact CD1-CD1 3.89Å; W731-W744 AromaticContact CD2-NE1 3.85Å; W731-W744 AromaticContact CE2-CD1 3.52Å; W731-W744 AromaticContact CE2-NE1 3.37Å; W731-W744 AromaticContact CH2-NE1 3.91Å; W731-W744 AromaticContact CZ2-CD1 3.93Å; W731-W744 AromaticContact CZ2-NE1 3.39Å; W731-W744 AromaticContact NE1-CD1 3.39Å; W731-W744 AromaticContact NE1-NE1 3.77Å; W744-M749 HydrophobicContact CB-SD 4.13Å; W744-M749 HydrophobicContact CD2-SD 4.24Å; W744-M749 HydrophobicContact CE3-CE 4.24Å; W744-M749 HydrophobicContact CE3-SD 4.44Å; W744-M749 HydrophobicContact CG-SD 4.14Å; W744-T756 HydrophobicContact CE3-CG2 4.16Å; W744-T756 HydrophobicContact CZ3-CG2 4.23Å; W744-F760 HydrophobicContact CB-CE2 4.19Å; W744-F760 HydrophobicContact CB-CZ 3.66Å |
| 745 | Q | 82.8 | Confident | 86.4 | Confident | 52 Ų | 52 | 58.5 Ų | 58.5 | 24% | 0.243 | 30% | 0.299 | C | S | . | . | trans | -128.6 | 157.9 | 174.3 | -66.6 | -174.9 | -7.4 | 0 | 0 | 107.7 | R747 H748 | Q745-R747 HydrophobicContact CB-CG 4.12Å; Q745-R747 PolarHBondContact O-N 3.27Å; Q745-R747 VanDerWaalsContact OE1-CZ 3.27Å; Q745-R747 VanDerWaalsContact OE1-NE 3.11Å; Q745-H748 PolarHBondContact N-ND1 3.06Å; Q745-H748 VanDerWaalsContact N-ND1 3.19Å; Q745-H748 WeakPolarHBondContact O-CB 3.43Å; Q745-H748 PolarHBondContact O-N 3.18Å | ||
| 746 | P | 80.7 | Confident | 86.1 | Confident | 25 Ų | 25 | 59.5 Ų | 59.5 | 16% | 0.162 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -52.6 | -32.3 | -179.5 | -29.7 | 34.9 | 0 | 0 | 0 | 113.5 | H748 M749 F760 Y764 | P746-H748 VanDerWaalsContact C-N 3.26Å; P746-H748 PolarHBondContact O-N 3.18Å; P746-M749 PolarHBondContact O-N 3.09Å; P746-F760 HydrophobicContact CG-CD1 3.92Å; P746-F760 HydrophobicContact CG-CE1 3.97Å; P746-Y764 HydrophobicContact CG-CD1 3.73Å; P746-Y764 HydrophobicContact CG-CD2 4.12Å; P746-Y764 HydrophobicContact CG-CE1 4.28Å; P746-Y764 HydrophobicContact CG-CG 3.65Å |
| 747 | R | 80.5 | Confident | 85.9 | Confident | 76 Ų | 76 | 64 Ų | 64 | 29% | 0.287 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -64.7 | -25 | 176.3 | 77.6 | -173.7 | -172.8 | -175.6 | -0.8 | 114.5 | E734 Q745 M749 R786 | E734-R747 IonicContact OE1-NH2 3.32Å; E734-R747 PolarHBondContact OE1-NH2 3.25Å; E734-R747 IonicContact OE2-NH2 3.3Å; E734-R747 PolarHBondContact OE2-NH2 3.05Å; Q745-R747 HydrophobicContact CB-CG 4.12Å; Q745-R747 PolarHBondContact O-N 3.27Å; Q745-R747 VanDerWaalsContact OE1-CZ 3.27Å; Q745-R747 VanDerWaalsContact OE1-NE 3.11Å; R747-M749 VanDerWaalsContact C-N 3.34Å; R747-R786 VanDerWaalsContact CA-NH2 3.34Å |
| 748 | H | 88.4 | Confident | 85.6 | Confident | 7 Ų | 7 | 64.4 Ų | 64.4 | 3% | 0.032 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -82.5 | -14.1 | -180 | -58.6 | 148.1 | 0 | 0 | 0 | 112.4 | V727 W728 W731 E734 Q745 P746 | V727-H748 CarbonylContact C-O 3.6Å; V727-H748 VanDerWaalsContact CA-O 3.29Å; V727-H748 WeakPolarHBondContact CA-O 3.24Å; W728-H748 PolarHBondContact N-O 3.36Å; W731-H748 HydrophobicContact CB-CB 3.98Å; W731-H748 AromaticContact CD1-CG 3.83Å; W731-H748 AromaticContact CD1-ND1 3.61Å; W731-H748 HydrophobicContact CG-CB 4.29Å; E734-H748 IonicContact OE2-CE1 2.73Å; E734-H748 IonicContact OE2-NE2 3.06Å; E734-H748 PolarHBondContact OE2-NE2 3.26Å; Q745-H748 PolarHBondContact N-ND1 3.06Å; Q745-H748 VanDerWaalsContact N-ND1 3.19Å; Q745-H748 WeakPolarHBondContact O-CB 3.43Å; Q745-H748 PolarHBondContact O-N 3.18Å; P746-H748 VanDerWaalsContact C-N 3.26Å; P746-H748 PolarHBondContact O-N 3.18Å |
| 749 | M | 88.2 | Confident | 85.4 | Confident | 17 Ų | 17 | 63 Ų | 63 | 8% | 0.084 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 132.5 | -169.6 | -50.4 | -56.6 | -72.2 | 0 | 0 | 111.7 | D725 V727 W744 P746 R747 I752 T756 F760 | D725-M749 HydrophobicContact CB-CE 3.93Å; V727-M749 HydrophobicContact CG1-CE 4.05Å; V727-M749 HydrophobicContact CG1-SD 3.72Å; W744-M749 HydrophobicContact CB-SD 4.13Å; W744-M749 HydrophobicContact CD2-SD 4.24Å; W744-M749 HydrophobicContact CE3-CE 4.24Å; W744-M749 HydrophobicContact CE3-SD 4.44Å; W744-M749 HydrophobicContact CG-SD 4.14Å; P746-M749 PolarHBondContact O-N 3.09Å; R747-M749 VanDerWaalsContact C-N 3.34Å; M749-I752 HydrophobicContact CB-CD1 4.01Å; M749-I752 HydrophobicContact CB-CG1 3.61Å; M749-I752 HydrophobicContact CE-CG1 4.02Å; M749-I752 HydrophobicContact CG-CD1 3.98Å; M749-I752 HydrophobicContact CG-CG1 3.81Å; M749-T756 HydrophobicContact CE-CG2 4.48Å; M749-F760 HydrophobicContact CG-CE1 4.07Å; M749-F760 HydrophobicContact CG-CZ 4.36Å |
| 750 | I | 87.7 | Confident | 85.3 | Confident | 28 Ų | 28 | 56 Ų | 56 | 14% | 0.144 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | -42.4 | 163.7 | -62.4 | 165.5 | 0 | 0 | 0 | 109.1 | A708 E711 V715 I719 V726 W728 | A708-I750 HydrophobicContact CB-CD1 3.74Å; E711-I750 HydrophobicContact CG-CG2 3.79Å; V715-I750 HydrophobicContact CG1-CG2 4.32Å; I719-I750 HydrophobicContact CD1-CG2 3.76Å; V726-I750 HydrophobicContact CB-CB 4.19Å; V726-I750 HydrophobicContact CG1-CB 4.04Å; V726-I750 HydrophobicContact CG1-CD1 3.94Å; V726-I750 HydrophobicContact CG1-CG2 4.41Å; V726-I750 WeakPolarHBondContact O-CB 3.27Å; V726-I750 PolarHBondContact O-N 3.5Å; W728-I750 HydrophobicContact CD2-CD1 3.64Å; W728-I750 HydrophobicContact CD2-CG1 3.36Å; W728-I750 HydrophobicContact CE3-CD1 3.59Å; W728-I750 HydrophobicContact CE3-CG1 3.82Å; W728-I750 HydrophobicContact CG-CD1 4.15Å; W728-I750 HydrophobicContact CG-CG1 3.74Å; W728-I750 HydrophobicContact CH2-CD1 4.22Å; W728-I750 HydrophobicContact CH2-CG1 4.05Å; W728-I750 HydrophobicContact CZ2-CD1 4.29Å; W728-I750 HydrophobicContact CZ2-CG1 3.64Å; W728-I750 HydrophobicContact CZ3-CD1 3.88Å; W728-I750 HydrophobicContact CZ3-CG1 4.14Å |
| 751 | H | 90.1 | Very high | 85 | Confident | 25 Ų | 25 | 53.8 Ų | 53.8 | 12% | 0.116 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 139.7 | 177.4 | 170.1 | 69.1 | 0 | 0 | 0 | 109.7 | I719 D722 H724 V726 | I719-H751 HydrophobicContact CB-CB 4.3Å; I719-H751 HydrophobicContact CD1-CB 4.11Å; I719-H751 HydrophobicContact CG1-CB 3.61Å; I719-H751 HydrophobicContact CG2-CB 4.09Å; D722-H751 IonicContact OD1-CE1 2.88Å; D722-H751 PolarHBondContact OD1-CE1 3.22Å; D722-H751 IonicContact OD1-NE2 3.11Å; D722-H751 PolarHBondContact OD1-NE2 3.31Å; H724-H751 PolarHBondContact O-CD2 3.5Å; V726-H751 HydrophobicContact CB-CB 4.11Å; V726-H751 HydrophobicContact CG2-CB 4.13Å; V726-H751 PolarHBondContact N-O 3.24Å; V726-H751 PolarHBondContact O-N 2.93Å; V726-H751 VanDerWaalsContact O-N 3.12Å |
| 752 | I | 88.4 | Confident | 84.9 | Confident | 45 Ų | 45 | 57.8 Ų | 57.8 | 23% | 0.231 | 30% | 0.301 | C | S | . | . | trans | -114.9 | 124 | -176.8 | -51 | 178.6 | 0 | 0 | 0 | 107.2 | D725 M749 T756 K757 F760 | D725-I752 WeakPolarHBondContact OD1-CA 3.46Å; M749-I752 HydrophobicContact CB-CD1 4.01Å; M749-I752 HydrophobicContact CB-CG1 3.61Å; M749-I752 HydrophobicContact CE-CG1 4.02Å; M749-I752 HydrophobicContact CG-CD1 3.98Å; M749-I752 HydrophobicContact CG-CG1 3.81Å; I752-T756 HydrophobicContact CG2-CG2 3.68Å; I752-K757 HydrophobicContact CG2-CB 3.9Å; I752-K757 VanDerWaalsContact CG2-N 3.33Å; I752-F760 HydrophobicContact CD1-CD1 4.11Å; I752-F760 HydrophobicContact CD1-CE1 4.47Å | ||
| 753 | S | 87.2 | Confident | 84.6 | Confident | 5 Ų | 5 | 61 Ų | 61 | 4% | 0.035 | 32% | 0.316 | C | S | . | . | trans | -65.2 | 159.1 | 175.4 | 71.2 | 0 | 0 | 0 | 0 | 111 | D725 S755 T756 K757 | D725-S753 PolarHBondContact OD1-N 3.48Å; D725-S753 PolarHBondContact OD1-OG 3.12Å; D725-S753 PolarHBondContact OD2-OG 3.35Å; S753-S755 VanDerWaalsContact C-N 3.28Å; S753-S755 PolarHBondContact O-N 3.44Å; S753-S755 PolarHBondContact OG-OG 3.44Å; S753-T756 PolarHBondContact O-N 2.89Å; S753-T756 PolarHBondContact OG-N 3.5Å; S753-T756 PolarHBondContact OG-OG1 3.31Å; S753-K757 VanDerWaalsContact O-CB 3.29Å; S753-K757 WeakPolarHBondContact O-CB 3.34Å; S753-K757 PolarHBondContact O-N 3.3Å | ||
| 754 | P | 83.6 | Confident | 84.5 | Confident | 64 Ų | 64 | 57.7 Ų | 57.7 | 42% | 0.416 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -54.7 | -40.2 | -179 | -28.7 | 35.9 | 0 | 0 | 0 | 114.2 | D722 K757 E758 | D722-P754 WeakPolarHBondContact O-CD 3.45Å; D722-P754 WeakPolarHBondContact OD2-CG 3.29Å; P754-K757 PolarHBondContact O-N 2.92Å; P754-E758 PolarHBondContact O-N 2.8Å |
| 755 | S | 81.8 | Confident | 84.2 | Confident | 83 Ų | 83 | 58.1 Ų | 58.1 | 58% | 0.58 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -66.9 | -45.3 | 178.6 | 45.1 | 0 | 0 | 0 | 0 | 112.5 | S753 K757 E758 H759 | S753-S755 VanDerWaalsContact C-N 3.28Å; S753-S755 PolarHBondContact O-N 3.44Å; S753-S755 PolarHBondContact OG-OG 3.44Å; S755-K757 VanDerWaalsContact C-N 3.27Å; S755-K757 PolarHBondContact O-N 2.92Å; S755-E758 PolarHBondContact O-N 3.4Å; S755-H759 PolarHBondContact O-N 3.26Å |
| 756 | T | 84.4 | Confident | 83.7 | Confident | 21 Ų | 21 | 61 Ų | 61 | 13% | 0.129 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -70 | -31 | -179.9 | -57.3 | 0 | 0 | 0 | 0 | 110.7 | D725 W744 M749 I752 S753 H759 F760 | D725-T756 VanDerWaalsContact CG-OG1 3.3Å; D725-T756 VanDerWaalsContact OD1-CB 3.26Å; D725-T756 WeakPolarHBondContact OD1-CB 3.5Å; D725-T756 PolarHBondContact OD1-OG1 3Å; D725-T756 WeakPolarHBondContact OD2-CB 3.35Å; D725-T756 PolarHBondContact OD2-OG1 3.24Å; W744-T756 HydrophobicContact CE3-CG2 4.16Å; W744-T756 HydrophobicContact CZ3-CG2 4.23Å; M749-T756 HydrophobicContact CE-CG2 4.48Å; I752-T756 HydrophobicContact CG2-CG2 3.68Å; S753-T756 PolarHBondContact O-N 2.89Å; S753-T756 PolarHBondContact OG-N 3.5Å; S753-T756 PolarHBondContact OG-OG1 3.31Å; T756-H759 PolarHBondContact O-N 3.16Å; T756-F760 HydrophobicContact CG2-CD2 3.94Å; T756-F760 HydrophobicContact CG2-CE2 3.91Å; T756-F760 WeakPolarHBondContact O-CD2 3.36Å; T756-F760 PolarHBondContact O-N 3.35Å |
| 757 | K | 83.4 | Confident | 83.6 | Confident | 138 Ų | 138 | 64.1 Ų | 64.1 | 60% | 0.6 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -65.5 | -40.1 | 176.3 | -171.2 | 177 | -178.3 | 178.3 | 0 | 112.7 | I752 S753 P754 S755 H759 F760 A761 | I752-K757 HydrophobicContact CG2-CB 3.9Å; I752-K757 VanDerWaalsContact CG2-N 3.33Å; S753-K757 VanDerWaalsContact O-CB 3.29Å; S753-K757 WeakPolarHBondContact O-CB 3.34Å; S753-K757 PolarHBondContact O-N 3.3Å; P754-K757 PolarHBondContact O-N 2.92Å; S755-K757 VanDerWaalsContact C-N 3.27Å; S755-K757 PolarHBondContact O-N 2.92Å; K757-H759 VanDerWaalsContact C-N 3.29Å; K757-H759 PolarHBondContact O-N 3.03Å; K757-F760 PolarHBondContact O-N 2.91Å; K757-A761 WeakPolarHBondContact O-CB 3.26Å; K757-A761 PolarHBondContact O-N 3.29Å |
| 758 | E | 82.7 | Confident | 83.4 | Confident | 145 Ų | 145 | 61.1 Ų | 61.1 | 68% | 0.678 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -65 | -33.7 | 174.1 | -75.2 | -177.5 | -173.5 | 0 | 0 | 112.5 | P754 S755 | P754-E758 PolarHBondContact O-N 2.8Å; S755-E758 PolarHBondContact O-N 3.4Å |
| 759 | H | 82.4 | Confident | 83.1 | Confident | 100 Ų | 100 | 63 Ų | 63 | 46% | 0.463 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -70.3 | -49.1 | 175.2 | -174 | 56.7 | 0 | 0 | 0 | 111.3 | S755 T756 K757 A761 K762 E763 | S755-H759 PolarHBondContact O-N 3.26Å; T756-H759 PolarHBondContact O-N 3.16Å; K757-H759 VanDerWaalsContact C-N 3.29Å; K757-H759 PolarHBondContact O-N 3.03Å; H759-A761 VanDerWaalsContact C-N 3.31Å; H759-A761 PolarHBondContact O-N 3.36Å; H759-K762 WeakPolarHBondContact O-CB 3.38Å; H759-K762 PolarHBondContact O-N 2.9Å; H759-K762 VanDerWaalsContact O-N 3.11Å; H759-E763 IonicContact CE1-OE1 2.82Å |
| 760 | F | 82.4 | Confident | 82.7 | Confident | 18 Ų | 18 | 63.3 Ų | 63.3 | 8% | 0.079 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.1 | -37.2 | 178.8 | -90.5 | -131.2 | 0 | 0 | 0 | 112.8 | W744 P746 M749 I752 T756 K757 K762 E763 Y764 | W744-F760 HydrophobicContact CB-CE2 4.19Å; W744-F760 HydrophobicContact CB-CZ 3.66Å; P746-F760 HydrophobicContact CG-CD1 3.92Å; P746-F760 HydrophobicContact CG-CE1 3.97Å; M749-F760 HydrophobicContact CG-CE1 4.07Å; M749-F760 HydrophobicContact CG-CZ 4.36Å; I752-F760 HydrophobicContact CD1-CD1 4.11Å; I752-F760 HydrophobicContact CD1-CE1 4.47Å; T756-F760 HydrophobicContact CG2-CD2 3.94Å; T756-F760 HydrophobicContact CG2-CE2 3.91Å; T756-F760 WeakPolarHBondContact O-CD2 3.36Å; T756-F760 PolarHBondContact O-N 3.35Å; K757-F760 PolarHBondContact O-N 2.91Å; F760-K762 PolarHBondContact O-N 3.2Å; F760-K762 VanDerWaalsContact O-N 3.08Å; F760-E763 PolarHBondContact O-N 2.92Å; F760-Y764 HydrophobicContact CD1-CD2 4.34Å; F760-Y764 PolarHBondContact O-N 3.03Å |
| 761 | A | 83.1 | Confident | 82.4 | Confident | 66 Ų | 66 | 68.5 Ų | 68.5 | 55% | 0.545 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.2 | -14.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | K757 H759 | K757-A761 WeakPolarHBondContact O-CB 3.26Å; K757-A761 PolarHBondContact O-N 3.29Å; H759-A761 VanDerWaalsContact C-N 3.31Å; H759-A761 PolarHBondContact O-N 3.36Å |
| 762 | K | 84.4 | Confident | 81.9 | Confident | 149 Ų | 149 | 74.7 Ų | 74.7 | 65% | 0.648 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -84.5 | -25.7 | 174.5 | -63.8 | 175.6 | -175.5 | 176.7 | 0 | 112.6 | H759 F760 F772 | H759-K762 WeakPolarHBondContact O-CB 3.38Å; H759-K762 PolarHBondContact O-N 2.9Å; H759-K762 VanDerWaalsContact O-N 3.11Å; F760-K762 PolarHBondContact O-N 3.2Å; F760-K762 VanDerWaalsContact O-N 3.08Å; K762-F772 VanDerWaalsContact O-CE2 3.32Å; K762-F772 WeakPolarHBondContact O-CE2 3.34Å |
| 763 | E | 82 | Confident | 81.4 | Confident | 77 Ų | 77 | 77 Ų | 77 | 36% | 0.36 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -113.2 | -24.4 | -170.8 | -62.6 | -172.8 | -177.7 | 0 | 0 | 113.2 | H759 F760 Y771 F772 | H759-E763 IonicContact CE1-OE1 2.82Å; F760-E763 PolarHBondContact O-N 2.92Å; E763-Y771 PolarHBondContact O-N 3.23Å; E763-F772 HydrophobicContact CB-CD2 4.44Å; E763-F772 HydrophobicContact CB-CE2 4.42Å; E763-F772 HydrophobicContact CG-CD2 4.48Å; E763-F772 HydrophobicContact CG-CE2 4.26Å |
| 764 | Y | 82.8 | Confident | 80.8 | Confident | 33 Ų | 33 | 84.4 Ų | 84.4 | 13% | 0.129 | 44% | 0.437 | C | S | . | . | B | Isolated β-bridge | trans | -131.8 | 148.2 | -177 | -60.7 | -88.3 | 0 | 0 | 0 | 111.5 | P746 F760 D769 Y771 | P746-Y764 HydrophobicContact CG-CD1 3.73Å; P746-Y764 HydrophobicContact CG-CD2 4.12Å; P746-Y764 HydrophobicContact CG-CE1 4.28Å; P746-Y764 HydrophobicContact CG-CG 3.65Å; F760-Y764 HydrophobicContact CD1-CD2 4.34Å; F760-Y764 PolarHBondContact O-N 3.03Å; Y764-D769 CarbonylContact C-O 3.54Å; Y764-D769 WeakPolarHBondContact CA-O 3.44Å; Y764-Y771 VanDerWaalsContact C-CE2 3.44Å; Y764-Y771 WeakPolarHBondContact O-CE2 3.42Å |
| 765 | D | 80.9 | Confident | 80.4 | Confident | 46 Ų | 46 | 83.5 Ų | 83.5 | 25% | 0.246 | 43% | 0.43 | C | S | . | . | trans | -73.9 | 178.4 | 171.5 | 85.1 | -5.5 | 0 | 0 | 0 | 112.7 | Y767 G768 D769 Y771 | D765-Y767 PolarHBondContact O-N 3.41Å; D765-Y767 VanDerWaalsContact O-N 3.15Å; D765-Y767 WeakPolarHBondContact OD1-CA 3.36Å; D765-Y767 PolarHBondContact OD1-N 3.49Å; D765-G768 PolarHBondContact O-N 2.94Å; D765-G768 PolarHBondContact OD1-N 2.78Å; D765-D769 PolarHBondContact N-O 3.35Å; D765-D769 PolarHBondContact OD1-N 3.13Å; D765-Y771 VanDerWaalsContact CA-OH 3.31Å; D765-Y771 WeakPolarHBondContact CA-OH 3.42Å; D765-Y771 HydrophobicContact CB-CE1 3.79Å | ||
| 766 | C | 73.5 | Confident | 80.3 | Confident | 112 Ų | 112 | 83.3 Ų | 83.3 | 76% | 0.757 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -7.5 | -177.8 | 60 | 0 | 0 | 0 | 0 | 114.7 | ||
| 767 | Y | 78.1 | Confident | 80 | Confident | 92 Ų | 92 | 88.5 Ų | 88.5 | 36% | 0.361 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | -7.3 | 176.7 | -54.1 | -64.1 | 0 | 0 | 0 | 112.5 | D765 R786 I787 | D765-Y767 PolarHBondContact O-N 3.41Å; D765-Y767 VanDerWaalsContact O-N 3.15Å; D765-Y767 WeakPolarHBondContact OD1-CA 3.36Å; D765-Y767 PolarHBondContact OD1-N 3.49Å; Y767-R786 WeakPolarHBondContact O-CD 3.38Å; Y767-R786 PolarHBondContact O-NH1 3.25Å; Y767-I787 HydrophobicContact CD1-CB 4.34Å; Y767-I787 HydrophobicContact CD1-CG1 3.6Å; Y767-I787 HydrophobicContact CD2-CD1 4.21Å; Y767-I787 HydrophobicContact CD2-CG1 4.02Å; Y767-I787 HydrophobicContact CE1-CB 4.43Å; Y767-I787 HydrophobicContact CE1-CG1 4Å; Y767-I787 HydrophobicContact CE1-CG2 4.37Å; Y767-I787 HydrophobicContact CE2-CG1 4.38Å; Y767-I787 HydrophobicContact CG-CD1 4.24Å; Y767-I787 HydrophobicContact CG-CG1 3.6Å |
| 768 | G | 75.8 | Confident | 79.6 | Confident | 13 Ų | 13 | 88.1 Ų | 88.1 | 13% | 0.134 | 45% | 0.446 | C | S | . | . | S | Bend | trans | 92.9 | 22.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | D765 | D765-G768 PolarHBondContact O-N 2.94Å; D765-G768 PolarHBondContact OD1-N 2.78Å |
| 769 | D | 81.8 | Confident | 79.2 | Confident | 47 Ų | 47 | 83.6 Ų | 83.6 | 25% | 0.251 | 43% | 0.425 | S | S | . | . | trans | -83.7 | 141.2 | 168 | -165 | 18.8 | 0 | 0 | 0 | 110.6 | Y764 D765 T775 V783 | Y764-D769 CarbonylContact C-O 3.54Å; Y764-D769 WeakPolarHBondContact CA-O 3.44Å; D765-D769 PolarHBondContact N-O 3.35Å; D765-D769 PolarHBondContact OD1-N 3.13Å; D769-T775 PolarHBondContact OD1-OG1 3.24Å; D769-V783 HydrophobicContact CB-CG1 4.14Å; D769-V783 HydrophobicContact CB-CG2 4.15Å | ||
| 770 | S | 80.9 | Confident | 79.1 | Confident | 22 Ų | 22 | 81.9 Ų | 81.9 | 15% | 0.154 | 42% | 0.419 | C | S | . | . | B | Isolated β-bridge | trans | -80.6 | 137 | -176 | -178.5 | 0 | 0 | 0 | 0 | 111.1 | F772 V773 | S770-F772 VanDerWaalsContact C-N 3.25Å; S770-F772 PolarHBondContact O-N 2.96Å; S770-F772 PolarHBondContact OG-N 3.17Å; S770-V773 PolarHBondContact OG-N 2.9Å |
| 771 | Y | 79.9 | Confident | 78.9 | Confident | 137 Ų | 137 | 89.4 Ų | 89.4 | 54% | 0.537 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -74.5 | -16.5 | 171.9 | -63.9 | -51.1 | 0 | 0 | 0 | 113.5 | E763 Y764 D765 | E763-Y771 PolarHBondContact O-N 3.23Å; Y764-Y771 VanDerWaalsContact C-CE2 3.44Å; Y764-Y771 WeakPolarHBondContact O-CE2 3.42Å; D765-Y771 VanDerWaalsContact CA-OH 3.31Å; D765-Y771 WeakPolarHBondContact CA-OH 3.42Å; D765-Y771 HydrophobicContact CB-CE1 3.79Å |
| 772 | F | 80.2 | Confident | 78.5 | Confident | 155 Ų | 155 | 89.5 Ų | 89.5 | 68% | 0.68 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -125.8 | -7 | -164.6 | -55.5 | -64 | 0 | 0 | 0 | 114.7 | K762 E763 S770 | K762-F772 VanDerWaalsContact O-CE2 3.32Å; K762-F772 WeakPolarHBondContact O-CE2 3.34Å; E763-F772 HydrophobicContact CB-CD2 4.44Å; E763-F772 HydrophobicContact CB-CE2 4.42Å; E763-F772 HydrophobicContact CG-CD2 4.48Å; E763-F772 HydrophobicContact CG-CE2 4.26Å; S770-F772 VanDerWaalsContact C-N 3.25Å; S770-F772 PolarHBondContact O-N 2.96Å; S770-F772 PolarHBondContact OG-N 3.17Å |
| 773 | V | 77.6 | Confident | 78.2 | Confident | 95 Ų | 95 | 82.9 Ų | 82.9 | 58% | 0.576 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -129.7 | 131.8 | -174.6 | -176.9 | 0 | 0 | 0 | 0 | 109.3 | S770 T775 | S770-V773 PolarHBondContact OG-N 2.9Å; V773-T775 PolarHBondContact O-N 3.49Å |
| 774 | D | 74.4 | Confident | 78 | Confident | 160 Ų | 160 | 85.5 Ų | 85.5 | 86% | 0.856 | 42% | 0.418 | S | S | * | . | P | Polyproline II helix | trans | -60 | 132 | 176 | -67.5 | -23.8 | 0 | 0 | 0 | 110.8 | ||
| 775 | T | 75.3 | Confident | 77.5 | Confident | 44 Ų | 44 | 87 Ų | 87 | 27% | 0.27 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -97 | 136 | -175.6 | -107.1 | 0 | 0 | 0 | 0 | 109.8 | D769 V773 Q779 L780 | D769-T775 PolarHBondContact OD1-OG1 3.24Å; V773-T775 PolarHBondContact O-N 3.49Å; T775-Q779 HydrophobicContact CG2-CB 4.15Å; T775-L780 HydrophobicContact CG2-CB 4.29Å; T775-L780 HydrophobicContact CG2-CD1 4.21Å; T775-L780 HydrophobicContact CG2-CD2 3.44Å; T775-L780 VanDerWaalsContact CG2-CD2 3.44Å; T775-L780 HydrophobicContact CG2-CG 3.29Å |
| 776 | D | 79.6 | Confident | 77.1 | Confident | 80 Ų | 80 | 89.5 Ų | 89.5 | 43% | 0.428 | 45% | 0.45 | S | S | . | . | P | Polyproline II helix | trans | -88.6 | 171.5 | 177.1 | 70.2 | 41.2 | 0 | 0 | 0 | 113.4 | Q778 Q779 L780 | D776-Q778 PolarHBondContact O-N 3.17Å; D776-Q778 WeakPolarHBondContact OD1-CA 3.48Å; D776-Q778 WeakPolarHBondContact OD1-CB 3.21Å; D776-Q778 PolarHBondContact OD1-N 2.95Å; D776-Q779 PolarHBondContact O-N 3.26Å; D776-Q779 WeakPolarHBondContact OD1-CG 3.23Å; D776-Q779 PolarHBondContact OD1-N 3.5Å; D776-L780 PolarHBondContact O-N 2.81Å |
| 777 | E | 78.9 | Confident | 77.2 | Confident | 129 Ų | 129 | 87.1 Ų | 87.1 | 60% | 0.603 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -58.2 | -35.7 | -177.9 | -168.4 | -167.5 | 152.9 | 0 | 0 | 112.5 | R781 | E777-R781 WeakPolarHBondContact O-CG 3.44Å; E777-R781 PolarHBondContact O-N 2.71Å; E777-R781 IonicContact OE1-CZ 2.82Å; E777-R781 IonicContact OE1-NE 3.56Å; E777-R781 PolarHBondContact OE1-NE 2.77Å; E777-R781 VanDerWaalsContact OE1-NE 3.12Å; E777-R781 IonicContact OE1-NH2 2.71Å; E777-R781 PolarHBondContact OE1-NH2 2.8Å |
| 778 | Q | 75.9 | Confident | 76.4 | Confident | 131 Ų | 131 | 85.2 Ų | 85.2 | 61% | 0.612 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -71 | -44.7 | -179.9 | -176.6 | 178.8 | -16 | 0 | 0 | 110.4 | D776 L780 R781 E782 | D776-Q778 PolarHBondContact O-N 3.17Å; D776-Q778 WeakPolarHBondContact OD1-CA 3.48Å; D776-Q778 WeakPolarHBondContact OD1-CB 3.21Å; D776-Q778 PolarHBondContact OD1-N 2.95Å; Q778-L780 PolarHBondContact O-N 3.18Å; Q778-R781 PolarHBondContact O-N 3.32Å; Q778-E782 PolarHBondContact O-N 3.06Å; Q778-E782 VanDerWaalsContact O-N 3.12Å |
| 779 | Q | 74 | Confident | 75.3 | Confident | 49 Ų | 49 | 96.7 Ų | 96.7 | 23% | 0.229 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -61.8 | -40.9 | 176 | -70.5 | 173.9 | -35.2 | 0 | 0 | 111.8 | T775 D776 R781 E782 V783 | T775-Q779 HydrophobicContact CG2-CB 4.15Å; D776-Q779 PolarHBondContact O-N 3.26Å; D776-Q779 WeakPolarHBondContact OD1-CG 3.23Å; D776-Q779 PolarHBondContact OD1-N 3.5Å; Q779-R781 PolarHBondContact O-N 2.89Å; Q779-E782 PolarHBondContact O-N 2.93Å; Q779-V783 WeakPolarHBondContact O-CG2 3.47Å; Q779-V783 PolarHBondContact O-N 2.85Å |
| 780 | L | 79.4 | Confident | 73.9 | Confident | 64 Ų | 64 | 99.1 Ų | 99.1 | 34% | 0.335 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -58.3 | -46.7 | 173.7 | -78.5 | 171 | 0 | 0 | 0 | 112.2 | T775 D776 Q778 E782 V783 F784 | T775-L780 HydrophobicContact CG2-CB 4.29Å; T775-L780 HydrophobicContact CG2-CD1 4.21Å; T775-L780 HydrophobicContact CG2-CD2 3.44Å; T775-L780 VanDerWaalsContact CG2-CD2 3.44Å; T775-L780 HydrophobicContact CG2-CG 3.29Å; D776-L780 PolarHBondContact O-N 2.81Å; Q778-L780 PolarHBondContact O-N 3.18Å; L780-E782 VanDerWaalsContact C-N 3.26Å; L780-E782 PolarHBondContact O-N 2.85Å; L780-V783 PolarHBondContact O-N 3.01Å; L780-F784 HydrophobicContact CB-CE2 4.36Å; L780-F784 HydrophobicContact CD2-CE2 4.4Å; L780-F784 HydrophobicContact CD2-CZ 4.13Å; L780-F784 WeakPolarHBondContact O-CB 3.27Å; L780-F784 WeakPolarHBondContact O-CD2 3.21Å; L780-F784 VanDerWaalsContact O-CG 3.26Å; L780-F784 WeakPolarHBondContact O-CG 3.3Å; L780-F784 PolarHBondContact O-N 3.28Å |
| 781 | R | 78.4 | Confident | 72.4 | Confident | 176 Ų | 176 | 105.3 Ų | 105.3 | 66% | 0.664 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.3 | -37.6 | 179.3 | -72.5 | 171.9 | -178.3 | -115.9 | 6.5 | 111.4 | E777 Q778 Q779 G785 | E777-R781 WeakPolarHBondContact O-CG 3.44Å; E777-R781 PolarHBondContact O-N 2.71Å; E777-R781 IonicContact OE1-CZ 2.82Å; E777-R781 IonicContact OE1-NE 3.56Å; E777-R781 PolarHBondContact OE1-NE 2.77Å; E777-R781 VanDerWaalsContact OE1-NE 3.12Å; E777-R781 IonicContact OE1-NH2 2.71Å; E777-R781 PolarHBondContact OE1-NH2 2.8Å; Q778-R781 PolarHBondContact O-N 3.32Å; Q779-R781 PolarHBondContact O-N 2.89Å; R781-G785 PolarHBondContact O-N 2.99Å |
| 782 | E | 75.3 | Confident | 71 | Confident | 69 Ų | 69 | 105.4 Ų | 105.4 | 32% | 0.322 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -69 | -47.1 | 176.3 | -70.8 | 179.4 | -164.8 | 0 | 0 | 112.6 | Q778 Q779 L780 G785 R786 | Q778-E782 PolarHBondContact O-N 3.06Å; Q778-E782 VanDerWaalsContact O-N 3.12Å; Q779-E782 PolarHBondContact O-N 2.93Å; L780-E782 VanDerWaalsContact C-N 3.26Å; L780-E782 PolarHBondContact O-N 2.85Å; E782-G785 PolarHBondContact O-N 3.29Å; E782-G785 VanDerWaalsContact O-N 3.16Å; E782-R786 PolarHBondContact O-N 2.63Å; E782-R786 IonicContact OE2-NH2 2.77Å |
| 783 | V | 76.8 | Confident | 69.8 | Low | 10 Ų | 10 | 102.5 Ų | 102.5 | 6% | 0.061 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -58.3 | -49.5 | 176.4 | 170.6 | 0 | 0 | 0 | 0 | 109.9 | D769 Q779 L780 G785 R786 I787 | D769-V783 HydrophobicContact CB-CG1 4.14Å; D769-V783 HydrophobicContact CB-CG2 4.15Å; Q779-V783 WeakPolarHBondContact O-CG2 3.47Å; Q779-V783 PolarHBondContact O-N 2.85Å; L780-V783 PolarHBondContact O-N 3.01Å; V783-G785 VanDerWaalsContact C-N 3.25Å; V783-G785 PolarHBondContact O-N 2.71Å; V783-R786 WeakPolarHBondContact O-CB 3.26Å; V783-R786 PolarHBondContact O-N 2.9Å; V783-I787 PolarHBondContact O-N 3.37Å |
| 784 | F | 77.8 | Confident | 69 | Low | 131 Ų | 131 | 101.9 Ų | 101.9 | 58% | 0.575 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.9 | -30.3 | 177.1 | -66.8 | -22.8 | 0 | 0 | 0 | 113.3 | L780 R786 I787 | L780-F784 HydrophobicContact CB-CE2 4.36Å; L780-F784 HydrophobicContact CD2-CE2 4.4Å; L780-F784 HydrophobicContact CD2-CZ 4.13Å; L780-F784 WeakPolarHBondContact O-CB 3.27Å; L780-F784 WeakPolarHBondContact O-CD2 3.21Å; L780-F784 VanDerWaalsContact O-CG 3.26Å; L780-F784 WeakPolarHBondContact O-CG 3.3Å; L780-F784 PolarHBondContact O-N 3.28Å; F784-R786 VanDerWaalsContact C-N 3.28Å; F784-R786 PolarHBondContact O-N 2.74Å; F784-I787 HydrophobicContact CD1-CD1 3.86Å; F784-I787 PolarHBondContact O-N 2.69Å |
| 785 | G | 73.9 | Confident | 68.2 | Low | 64 Ų | 64 | 96.1 Ų | 96.1 | 66% | 0.66 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65.7 | -27.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | R781 E782 V783 | R781-G785 PolarHBondContact O-N 2.99Å; E782-G785 PolarHBondContact O-N 3.29Å; E782-G785 VanDerWaalsContact O-N 3.16Å; V783-G785 VanDerWaalsContact C-N 3.25Å; V783-G785 PolarHBondContact O-N 2.71Å |
| 786 | R | 72.6 | Confident | 67.5 | Low | 100 Ų | 100 | 100 Ų | 100 | 38% | 0.377 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -85.2 | -20.5 | 177.8 | -64.6 | 177.2 | -166.3 | 145.7 | 13 | 113.3 | R747 Y767 E782 V783 F784 G788 | R747-R786 VanDerWaalsContact CA-NH2 3.34Å; Y767-R786 WeakPolarHBondContact O-CD 3.38Å; Y767-R786 PolarHBondContact O-NH1 3.25Å; E782-R786 PolarHBondContact O-N 2.63Å; E782-R786 IonicContact OE2-NH2 2.77Å; V783-R786 WeakPolarHBondContact O-CB 3.26Å; V783-R786 PolarHBondContact O-N 2.9Å; F784-R786 VanDerWaalsContact C-N 3.28Å; F784-R786 PolarHBondContact O-N 2.74Å; R786-G788 VanDerWaalsContact C-N 3.32Å; R786-G788 PolarHBondContact O-N 3.12Å |
| 787 | I | 74.3 | Confident | 66.7 | Low | 61 Ų | 61 | 98.9 Ų | 98.9 | 31% | 0.313 | 51% | 0.514 | S | S | . | . | S | Bend | trans | -69.1 | 94.4 | 169.4 | -56.7 | 177.7 | 0 | 0 | 0 | 106.9 | Y767 V783 F784 | Y767-I787 HydrophobicContact CD1-CB 4.34Å; Y767-I787 HydrophobicContact CD1-CG1 3.6Å; Y767-I787 HydrophobicContact CD2-CD1 4.21Å; Y767-I787 HydrophobicContact CD2-CG1 4.02Å; Y767-I787 HydrophobicContact CE1-CB 4.43Å; Y767-I787 HydrophobicContact CE1-CG1 4Å; Y767-I787 HydrophobicContact CE1-CG2 4.37Å; Y767-I787 HydrophobicContact CE2-CG1 4.38Å; Y767-I787 HydrophobicContact CG-CD1 4.24Å; Y767-I787 HydrophobicContact CG-CG1 3.6Å; V783-I787 PolarHBondContact O-N 3.37Å; F784-I787 HydrophobicContact CD1-CD1 3.86Å; F784-I787 PolarHBondContact O-N 2.69Å |
| 788 | G | 60.8 | Low | 66.1 | Low | 52 Ų | 52 | 95.3 Ų | 95.3 | 54% | 0.536 | 50% | 0.498 | S | S | . | . | trans | -54 | 156.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | R786 V790 | R786-G788 VanDerWaalsContact C-N 3.32Å; R786-G788 PolarHBondContact O-N 3.12Å; G788-V790 VanDerWaalsContact C-N 3.31Å; G788-V790 PolarHBondContact O-N 3.39Å | ||
| 789 | R | 54.1 | Low | 65.5 | Low | 254 Ų | 254 | 89.9 Ų | 89.9 | 96% | 0.958 | 48% | 0.476 | S | S | * | . | trans | -58.3 | 99.3 | 171.4 | -79.8 | -171.2 | 179.7 | -167.8 | 0.3 | 108.5 | D791 | R789-D791 PolarHBondContact O-N 2.85Š| ||
| 790 | V | 52 | Low | 65.1 | Low | 99 Ų | 99 | 94.2 Ų | 94.2 | 60% | 0.6 | 49% | 0.494 | S | S | * | . | trans | -58.9 | 129.5 | 172.9 | -175.2 | 0 | 0 | 0 | 0 | 106.4 | G788 T792 | G788-V790 VanDerWaalsContact C-N 3.31Å; G788-V790 PolarHBondContact O-N 3.39Å; V790-T792 PolarHBondContact O-N 3.02Å | ||
| 791 | D | 48.4 | Very low | 64.4 | Low | 152 Ų | 152 | 94.5 Ų | 94.5 | 81% | 0.813 | 50% | 0.496 | S | S | * | . | trans | -48.4 | 113.5 | 166.7 | -77 | -40.7 | 0 | 0 | 0 | 107.1 | R789 L793 | R789-D791 PolarHBondContact O-N 2.85Å; D791-L793 PolarHBondContact O-N 3.41Å | ||
| 792 | T | 50.4 | Low | 63.9 | Low | 138 Ų | 138 | 87 Ų | 87 | 85% | 0.847 | 47% | 0.468 | S | S | * | . | trans | -57.5 | 107.9 | -173.9 | -6.4 | 0 | 0 | 0 | 0 | 107.9 | V790 T794 | V790-T792 PolarHBondContact O-N 3.02Å; T792-T794 PolarHBondContact O-N 3.33Å; T792-T794 VanDerWaalsContact O-N 3.17Å | ||
| 793 | L | 55.8 | Low | 63.4 | Low | 95 Ų | 95 | 90.4 Ų | 90.4 | 50% | 0.497 | 48% | 0.484 | S | S | . | . | trans | -53.8 | 126.6 | 177.6 | -73.3 | 167.5 | 0 | 0 | 0 | 107.5 | D791 C797 I798 L801 | D791-L793 PolarHBondContact O-N 3.41Å; L793-C797 HydrophobicContact CB-CB 4.4Å; L793-C797 HydrophobicContact CD2-CB 4.23Å; L793-I798 HydrophobicContact CB-CD1 4.14Å; L793-I798 HydrophobicContact CB-CG1 3.71Å; L793-L801 HydrophobicContact CD1-CD1 4.27Å | ||
| 794 | T | 61.2 | Low | 62.7 | Low | 81 Ų | 81 | 99 Ų | 99 | 50% | 0.497 | 52% | 0.515 | S | S | . | . | trans | -58.7 | 147.4 | 177.5 | 65.5 | 0 | 0 | 0 | 0 | 109.3 | T792 Q796 C797 I798 | T792-T794 PolarHBondContact O-N 3.33Å; T792-T794 VanDerWaalsContact O-N 3.17Å; T794-Q796 PolarHBondContact O-N 2.95Å; T794-C797 WeakPolarHBondContact O-CA 3.09Å; T794-C797 WeakPolarHBondContact O-CB 3.21Å; T794-C797 PolarHBondContact O-N 3.5Å; T794-C797 PolarHBondContact OG1-N 2.8Å; T794-C797 PolarHBondContact OG1-SG 3.32Å; T794-I798 PolarHBondContact O-N 3.09Å | ||
| 795 | A | 58.1 | Low | 62.1 | Low | 39 Ų | 39 | 98.5 Ų | 98.5 | 32% | 0.322 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -52.6 | -29.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A799 | A795-A799 WeakPolarHBondContact O-CB 3.25Å; A795-A799 PolarHBondContact O-N 3.28Å |
| 796 | Q | 59.3 | Low | 61.3 | Low | 126 Ų | 126 | 99.7 Ų | 99.7 | 59% | 0.589 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -70.6 | -36.6 | 172.5 | -91.7 | 175.4 | -20.3 | 0 | 0 | 114.3 | T794 K800 | T794-Q796 PolarHBondContact O-N 2.95Å; Q796-K800 WeakPolarHBondContact O-CB 3.47Å; Q796-K800 VanDerWaalsContact O-CG 3.28Å; Q796-K800 WeakPolarHBondContact O-CG 3.28Å; Q796-K800 PolarHBondContact O-N 2.83Å; Q796-K800 VanDerWaalsContact O-N 3.09Å |
| 797 | C | 62.6 | Low | 60.9 | Low | 56 Ų | 56 | 101.6 Ų | 101.6 | 38% | 0.378 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.7 | -39.9 | 173 | -71.3 | 0 | 0 | 0 | 0 | 110.8 | L793 T794 K800 L801 | L793-C797 HydrophobicContact CB-CB 4.4Å; L793-C797 HydrophobicContact CD2-CB 4.23Å; T794-C797 WeakPolarHBondContact O-CA 3.09Å; T794-C797 WeakPolarHBondContact O-CB 3.21Å; T794-C797 PolarHBondContact O-N 3.5Å; T794-C797 PolarHBondContact OG1-N 2.8Å; T794-C797 PolarHBondContact OG1-SG 3.32Å; C797-K800 PolarHBondContact O-N 3.17Å; C797-L801 WeakPolarHBondContact O-CD1 3.42Å; C797-L801 VanDerWaalsContact O-CG 3.25Å; C797-L801 WeakPolarHBondContact O-CG 3.43Å; C797-L801 PolarHBondContact O-N 3.2Å; C797-L801 VanDerWaalsContact O-N 3.09Å |
| 798 | I | 66.1 | Low | 59.9 | Low | 54 Ų | 54 | 104.1 Ų | 104.1 | 28% | 0.277 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.3 | -50 | 175.6 | -60.9 | 174.7 | 0 | 0 | 0 | 109.9 | L793 T794 K800 L801 E802 | L793-I798 HydrophobicContact CB-CD1 4.14Å; L793-I798 HydrophobicContact CB-CG1 3.71Å; T794-I798 PolarHBondContact O-N 3.09Å; I798-K800 VanDerWaalsContact C-N 3.32Å; I798-K800 PolarHBondContact O-N 3.5Å; I798-L801 WeakPolarHBondContact O-CB 3.47Å; I798-L801 PolarHBondContact O-N 3.2Å; I798-E802 HydrophobicContact CG2-CG 4.27Å; I798-E802 WeakPolarHBondContact O-CG 3.48Å; I798-E802 PolarHBondContact O-N 3.49Å |
| 799 | A | 63.6 | Low | 59.8 | Low | 17 Ų | 17 | 109.2 Ų | 109.2 | 14% | 0.14 | 55% | 0.547 | C | S | . | . | H | α-helix | trans | -56.3 | -42.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | A795 L801 E802 E803 R816 | A795-A799 WeakPolarHBondContact O-CB 3.25Å; A795-A799 PolarHBondContact O-N 3.28Å; A799-L801 VanDerWaalsContact C-N 3.31Å; A799-L801 PolarHBondContact O-N 3.47Å; A799-E802 PolarHBondContact O-N 2.96Å; A799-E803 WeakPolarHBondContact O-CB 3.4Å; A799-E803 PolarHBondContact O-N 2.91Å; A799-R816 HydrophobicContact CB-CG 4.2Å |
| 800 | K | 65.7 | Low | 60.4 | Low | 141 Ų | 141 | 101 Ų | 101 | 61% | 0.613 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -67.8 | -29.4 | 177.2 | -75.5 | 177 | -179.9 | -177.2 | 0 | 113.5 | Q796 C797 I798 R804 | Q796-K800 WeakPolarHBondContact O-CB 3.47Å; Q796-K800 VanDerWaalsContact O-CG 3.28Å; Q796-K800 WeakPolarHBondContact O-CG 3.28Å; Q796-K800 PolarHBondContact O-N 2.83Å; Q796-K800 VanDerWaalsContact O-N 3.09Å; C797-K800 PolarHBondContact O-N 3.17Å; I798-K800 VanDerWaalsContact C-N 3.32Å; I798-K800 PolarHBondContact O-N 3.5Å; K800-R804 WeakPolarHBondContact O-CB 3.35Å; K800-R804 PolarHBondContact O-N 3.09Å |
| 801 | L | 65.1 | Low | 61.2 | Low | 70 Ų | 70 | 99.4 Ų | 99.4 | 37% | 0.366 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -74.7 | -44.5 | 174.9 | -72.1 | 165.6 | 0 | 0 | 0 | 109.9 | L793 C797 I798 A799 E803 R804 F805 | L793-L801 HydrophobicContact CD1-CD1 4.27Å; C797-L801 WeakPolarHBondContact O-CD1 3.42Å; C797-L801 VanDerWaalsContact O-CG 3.25Å; C797-L801 WeakPolarHBondContact O-CG 3.43Å; C797-L801 PolarHBondContact O-N 3.2Å; C797-L801 VanDerWaalsContact O-N 3.09Å; I798-L801 WeakPolarHBondContact O-CB 3.47Å; I798-L801 PolarHBondContact O-N 3.2Å; A799-L801 VanDerWaalsContact C-N 3.31Å; A799-L801 PolarHBondContact O-N 3.47Å; L801-E803 PolarHBondContact O-N 3.45Å; L801-R804 PolarHBondContact O-N 3.29Å; L801-F805 HydrophobicContact CD2-CE2 3.94Å; L801-F805 WeakPolarHBondContact O-CD2 3.35Å; L801-F805 PolarHBondContact O-N 2.9Å |
| 802 | E | 67.5 | Low | 62.6 | Low | 19 Ų | 19 | 95.4 Ų | 95.4 | 9% | 0.089 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -58.6 | -46.3 | 176 | -68 | 173.7 | 159.5 | 0 | 0 | 111.9 | I798 A799 R804 F805 S806 W807 R816 | I798-E802 HydrophobicContact CG2-CG 4.27Å; I798-E802 WeakPolarHBondContact O-CG 3.48Å; I798-E802 PolarHBondContact O-N 3.49Å; A799-E802 PolarHBondContact O-N 2.96Å; E802-R804 PolarHBondContact O-N 3.48Å; E802-F805 CarbonylContact O-C 3.54Å; E802-F805 PolarHBondContact O-N 3.03Å; E802-S806 PolarHBondContact O-N 3.07Å; E802-W807 HydrophobicContact CB-CB 4.33Å; E802-W807 HydrophobicContact CB-CE3 4.47Å; E802-W807 HydrophobicContact CG-CD2 4.47Å; E802-W807 HydrophobicContact CG-CE3 3.67Å; E802-W807 HydrophobicContact CG-CZ3 4.19Å; E802-W807 PolarHBondContact O-N 2.69Å; E802-R816 IonicContact OE1-CZ 3.52Å; E802-R816 IonicContact OE1-NH1 2.77Å; E802-R816 PolarHBondContact OE1-NH1 3.39Å; E802-R816 WeakPolarHBondContact OE2-CD 3.18Å; E802-R816 IonicContact OE2-NH1 3.64Å |
| 803 | E | 64.6 | Low | 64 | Low | 140 Ų | 140 | 89.5 Ų | 89.5 | 65% | 0.654 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -61.6 | -41.6 | 174.9 | -177.8 | -178.3 | -161.4 | 0 | 0 | 111.7 | A799 L801 F805 S806 | A799-E803 WeakPolarHBondContact O-CB 3.4Å; A799-E803 PolarHBondContact O-N 2.91Å; L801-E803 PolarHBondContact O-N 3.45Å; E803-F805 VanDerWaalsContact C-N 3.31Å; E803-F805 PolarHBondContact O-N 3.31Å; E803-S806 PolarHBondContact O-N 3.02Å |
| 804 | R | 63.3 | Low | 65.4 | Low | 191 Ų | 191 | 86.1 Ų | 86.1 | 72% | 0.721 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -68 | -29.8 | -179.5 | -179.3 | 176 | -179.9 | -175.4 | -0.5 | 113.1 | K800 L801 E802 | K800-R804 WeakPolarHBondContact O-CB 3.35Å; K800-R804 PolarHBondContact O-N 3.09Å; L801-R804 PolarHBondContact O-N 3.29Å; E802-R804 PolarHBondContact O-N 3.48Å |
| 805 | F | 65.1 | Low | 66.7 | Low | 119 Ų | 119 | 82.2 Ų | 82.2 | 52% | 0.522 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.2 | 11.4 | -177.6 | -62.6 | -67.5 | 0 | 0 | 0 | 113.2 | L801 E802 E803 W807 | L801-F805 HydrophobicContact CD2-CE2 3.94Å; L801-F805 WeakPolarHBondContact O-CD2 3.35Å; L801-F805 PolarHBondContact O-N 2.9Å; E802-F805 CarbonylContact O-C 3.54Å; E802-F805 PolarHBondContact O-N 3.03Å; E803-F805 VanDerWaalsContact C-N 3.31Å; E803-F805 PolarHBondContact O-N 3.31Å; F805-W807 PolarHBondContact O-N 2.97Å |
| 806 | S | 58 | Low | 68 | Low | 89 Ų | 89 | 83.9 Ų | 83.9 | 62% | 0.622 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.3 | 46.7 | 173.3 | -53.9 | 0 | 0 | 0 | 0 | 114.1 | E802 E803 D808 | E802-S806 PolarHBondContact O-N 3.07Å; E803-S806 PolarHBondContact O-N 3.02Å; S806-D808 PolarHBondContact O-N 2.99Å |
| 807 | W | 62.6 | Low | 69.1 | Low | 141 Ų | 141 | 81.8 Ų | 81.8 | 53% | 0.534 | 41% | 0.412 | S | S | . | . | trans | -85.7 | 26.4 | 172.3 | -64.5 | -3.4 | 0 | 0 | 0 | 112.9 | E802 F805 D809 L810 | E802-W807 HydrophobicContact CB-CB 4.33Å; E802-W807 HydrophobicContact CB-CE3 4.47Å; E802-W807 HydrophobicContact CG-CD2 4.47Å; E802-W807 HydrophobicContact CG-CE3 3.67Å; E802-W807 HydrophobicContact CG-CZ3 4.19Å; E802-W807 PolarHBondContact O-N 2.69Å; F805-W807 PolarHBondContact O-N 2.97Å; W807-D809 PolarHBondContact O-N 3.42Å; W807-D809 VanDerWaalsContact O-N 3.13Å; W807-L810 HydrophobicContact CB-CD1 4.14Å; W807-L810 PolarHBondContact O-N 3.13Å | ||
| 808 | D | 54.2 | Low | 70.4 | Confident | 113 Ų | 113 | 80.8 Ų | 80.8 | 60% | 0.604 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -11.5 | -168.6 | -60.8 | -43.5 | 0 | 0 | 0 | 114 | S806 | S806-D808 PolarHBondContact O-N 2.99Š|
| 809 | D | 58.3 | Low | 71.6 | Confident | 159 Ų | 159 | 81.8 Ų | 81.8 | 85% | 0.85 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | 9.7 | -178.4 | -74.1 | -26.8 | 0 | 0 | 0 | 114.3 | W807 P811 | W807-D809 PolarHBondContact O-N 3.42Å; W807-D809 VanDerWaalsContact O-N 3.13Å; D809-P811 VanDerWaalsContact O-CD 3.26Å; D809-P811 WeakPolarHBondContact O-CD 3.04Å |
| 810 | L | 66.9 | Low | 73 | Confident | 83 Ų | 83 | 81 Ų | 81 | 44% | 0.435 | 40% | 0.395 | S | S | . | . | trans | -87.3 | 112.4 | 177.5 | -72.9 | 167.3 | 0 | 0 | 0 | 110.6 | W807 T812 S813 | W807-L810 HydrophobicContact CB-CD1 4.14Å; W807-L810 PolarHBondContact O-N 3.13Å; L810-T812 PolarHBondContact O-N 3.08Å; L810-S813 PolarHBondContact O-N 3.08Å; L810-S813 VanDerWaalsContact O-N 3.08Å; L810-S813 PolarHBondContact O-OG 3.18Å; L810-S813 VanDerWaalsContact O-OG 3.08Å | ||
| 811 | P | 69.5 | Low | 74.2 | Confident | 65 Ų | 65 | 74.3 Ų | 74.3 | 42% | 0.422 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -20.2 | -179 | -24.3 | 35.6 | 0 | 0 | 0 | 113 | D809 H850 | D809-P811 VanDerWaalsContact O-CD 3.26Å; D809-P811 WeakPolarHBondContact O-CD 3.04Å; P811-H850 PolarHBondContact O-ND1 3.35Å |
| 812 | T | 77.4 | Confident | 75.5 | Confident | 68 Ų | 68 | 71 Ų | 71 | 42% | 0.417 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | -1 | -178.6 | 52.6 | 0 | 0 | 0 | 0 | 114.8 | L810 F849 H850 G851 | L810-T812 PolarHBondContact O-N 3.08Å; T812-F849 HydrophobicContact CG2-CE1 4.38Å; T812-H850 CarbonylContact O-C 3.51Å; T812-H850 VanDerWaalsContact O-CA 3.29Å; T812-H850 WeakPolarHBondContact O-CA 3.08Å; T812-G851 PolarHBondContact O-N 2.95Å |
| 813 | S | 79.6 | Confident | 76.5 | Confident | 13 Ų | 13 | 70.6 Ų | 70.6 | 9% | 0.091 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.5 | -4.9 | -179.4 | 62.1 | 0 | 0 | 0 | 0 | 114.6 | L810 F815 R816 H850 | L810-S813 PolarHBondContact O-N 3.08Å; L810-S813 VanDerWaalsContact O-N 3.08Å; L810-S813 PolarHBondContact O-OG 3.18Å; L810-S813 VanDerWaalsContact O-OG 3.08Å; S813-F815 PolarHBondContact O-N 2.89Å; S813-R816 WeakPolarHBondContact O-CB 3.24Å; S813-R816 PolarHBondContact O-N 2.93Å; S813-H850 CarbonylContact C-O 3.47Å |
| 814 | M | 84.6 | Confident | 77.5 | Confident | 24 Ų | 24 | 65.3 Ų | 65.3 | 12% | 0.118 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -25.3 | -171.7 | 63.4 | 175.9 | 169.5 | 0 | 0 | 115.5 | H850 I899 L904 | M814-H850 HydrophobicContact CE-CB 3.81Å; M814-H850 HydrophobicContact CG-CB 4.32Å; M814-H850 PolarHBondContact N-O 2.91Å; M814-I899 HydrophobicContact CE-CB 4.07Å; M814-I899 HydrophobicContact CE-CG1 3.41Å; M814-I899 VanDerWaalsContact CE-CG1 3.41Å; M814-L904 HydrophobicContact CB-CB 4.49Å |
| 815 | F | 88.6 | Confident | 78.4 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | -1 | 177.8 | -65.9 | -57.4 | 0 | 0 | 0 | 114.7 | S813 F818 F847 H850 G852 W894 V895 I899 L904 | S813-F815 PolarHBondContact O-N 2.89Å; F815-F818 HydrophobicContact CD1-CD2 4.4Å; F815-F818 WeakPolarHBondContact O-CB 3.4Å; F815-F818 PolarHBondContact O-N 3.01Å; F815-F847 HydrophobicContact CB-CD1 4.28Å; F815-F847 HydrophobicContact CB-CD2 4.1Å; F815-F847 HydrophobicContact CB-CE1 3.91Å; F815-F847 HydrophobicContact CB-CE2 3.75Å; F815-F847 HydrophobicContact CB-CG 4.37Å; F815-F847 HydrophobicContact CB-CZ 3.63Å; F815-F847 AromaticContact CD1-CD2 3.85Å; F815-F847 HydrophobicContact CD1-CD2 3.85Å; F815-F847 AromaticContact CD1-CE2 3.22Å; F815-F847 HydrophobicContact CD1-CE2 3.22Å; F815-F847 AromaticContact CD1-CZ 3.8Å; F815-F847 HydrophobicContact CD1-CZ 3.8Å; F815-F847 AromaticContact CD2-CD2 3.66Å; F815-F847 HydrophobicContact CD2-CD2 3.66Å; F815-F847 AromaticContact CD2-CE2 3.91Å; F815-F847 HydrophobicContact CD2-CE2 3.91Å; F815-F847 HydrophobicContact CD2-CG 4.22Å; F815-F847 HydrophobicContact CE1-CD2 4.09Å; F815-F847 AromaticContact CE1-CE2 3.66Å; F815-F847 HydrophobicContact CE1-CE2 3.66Å; F815-F847 AromaticContact CE2-CD2 3.94Å; F815-F847 HydrophobicContact CE2-CD2 3.94Å; F815-F847 HydrophobicContact CE2-CE2 4.3Å; F815-F847 AromaticContact CG-CD2 3.62Å; F815-F847 HydrophobicContact CG-CD2 3.62Å; F815-F847 HydrophobicContact CG-CE1 4.42Å; F815-F847 AromaticContact CG-CE2 3.36Å; F815-F847 HydrophobicContact CG-CE2 3.36Å; F815-F847 HydrophobicContact CG-CG 4.28Å; F815-F847 AromaticContact CG-CZ 3.8Å; F815-F847 HydrophobicContact CG-CZ 3.8Å; F815-F847 HydrophobicContact CZ-CD2 4.13Å; F815-F847 HydrophobicContact CZ-CE2 4.18Å; F815-H850 HydrophobicContact CD2-CB 3.62Å; F815-H850 HydrophobicContact CE2-CB 4.16Å; F815-H850 PolarHBondContact N-O 3.32Å; F815-G852 WeakPolarHBondContact O-CA 3.29Å; F815-W894 HydrophobicContact CD1-CH2 4.41Å; F815-W894 HydrophobicContact CE1-CH2 4.34Å; F815-W894 HydrophobicContact CE1-CZ2 4.38Å; F815-V895 HydrophobicContact CE2-CG1 4.09Å; F815-V895 HydrophobicContact CZ-CB 4.44Å; F815-V895 HydrophobicContact CZ-CG1 4.15Å; F815-I899 HydrophobicContact CE2-CD1 4.28Å; F815-I899 HydrophobicContact CE2-CG1 3.9Å; F815-L904 HydrophobicContact CD1-CD1 3.46Å; F815-L904 VanDerWaalsContact CD1-CD1 3.46Å; F815-L904 HydrophobicContact CE1-CD1 3.31Å; F815-L904 HydrophobicContact CZ-CD1 4.37Å |
| 816 | R | 85.1 | Confident | 79.1 | Confident | 74 Ų | 74 | 53.6 Ų | 53.6 | 28% | 0.279 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -35.3 | -173.9 | -169.3 | 156.6 | -89.6 | 176.3 | -0.6 | 116.8 | A799 E802 S813 F818 G851 | A799-R816 HydrophobicContact CB-CG 4.2Å; E802-R816 IonicContact OE1-CZ 3.52Å; E802-R816 IonicContact OE1-NH1 2.77Å; E802-R816 PolarHBondContact OE1-NH1 3.39Å; E802-R816 WeakPolarHBondContact OE2-CD 3.18Å; E802-R816 IonicContact OE2-NH1 3.64Å; S813-R816 WeakPolarHBondContact O-CB 3.24Å; S813-R816 PolarHBondContact O-N 2.93Å; R816-F818 PolarHBondContact O-N 2.89Å; R816-G851 VanDerWaalsContact CA-O 3.24Å; R816-G851 WeakPolarHBondContact CA-O 3.26Å |
| 817 | P | 83.2 | Confident | 80.3 | Confident | 81 Ų | 81 | 54.3 Ų | 54.3 | 53% | 0.526 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -11 | 175.8 | 27.7 | -31.7 | 0 | 0 | 0 | 113.3 | ||
| 818 | F | 88.6 | Confident | 81.1 | Confident | 35 Ų | 35 | 49.8 Ų | 49.8 | 15% | 0.154 | 27% | 0.269 | C | S | . | . | trans | -97.3 | 129.3 | -173.8 | -56.4 | -77.7 | 0 | 0 | 0 | 112.3 | F815 R816 V820 F847 T853 H864 W894 L904 | F815-F818 HydrophobicContact CD1-CD2 4.4Å; F815-F818 WeakPolarHBondContact O-CB 3.4Å; F815-F818 PolarHBondContact O-N 3.01Å; R816-F818 PolarHBondContact O-N 2.89Å; F818-V820 HydrophobicContact CB-CG1 4.12Å; F818-F847 HydrophobicContact CB-CE1 4.35Å; F818-F847 HydrophobicContact CB-CZ 3.8Å; F818-T853 PolarHBondContact O-N 2.72Å; F818-H864 AromaticContact CD1-CE1 3.5Å; F818-H864 AromaticContact CD1-ND1 3.65Å; F818-H864 AromaticContact CE1-CE1 3.69Å; F818-W894 HydrophobicContact CD1-CH2 4.32Å; F818-W894 HydrophobicContact CD2-CH2 4.43Å; F818-W894 HydrophobicContact CG-CH2 4.27Å; F818-L904 HydrophobicContact CE2-CD1 4.02Å; F818-L904 HydrophobicContact CE2-CD2 3.39Å; F818-L904 HydrophobicContact CE2-CG 4.36Å; F818-L904 HydrophobicContact CZ-CD2 3.52Å | ||
| 819 | R | 91.8 | Very high | 82 | Confident | 76 Ų | 76 | 45.6 Ų | 45.6 | 29% | 0.287 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 118 | 165.5 | -62.8 | -179.3 | 69.7 | -162.4 | -5.5 | 107.9 | T853 E859 S863 H864 | R819-T853 CarbonylContact C-O 3.54Å; R819-T853 VanDerWaalsContact CA-O 3.3Å; R819-T853 WeakPolarHBondContact CA-O 3.43Å; R819-T853 HydrophobicContact CG-CG2 4.24Å; R819-E859 IonicContact NH2-OE1 3.63Å; R819-E859 PolarHBondContact NH2-OE1 3.05Å; R819-S863 PolarHBondContact N-OG 2.94Å; R819-S863 PolarHBondContact O-N 2.93Å; R819-S863 PolarHBondContact O-OG 2.71Å; R819-H864 PolarHBondContact O-N 2.98Å |
| 820 | V | 93 | Very high | 83.1 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 146 | -173 | -53.6 | 0 | 0 | 0 | 0 | 112 | F818 M822 F847 T853 V854 V855 H864 I866 | F818-V820 HydrophobicContact CB-CG1 4.12Å; V820-M822 HydrophobicContact CG2-CE 3.92Å; V820-F847 HydrophobicContact CB-CE1 4.14Å; V820-F847 HydrophobicContact CB-CZ 4.21Å; V820-F847 HydrophobicContact CG1-CE1 3.64Å; V820-F847 HydrophobicContact CG1-CE2 4.12Å; V820-F847 HydrophobicContact CG1-CZ 3.33Å; V820-F847 HydrophobicContact CG2-CD1 3.59Å; V820-F847 HydrophobicContact CG2-CE1 3.36Å; V820-F847 HydrophobicContact CG2-CE2 4.38Å; V820-F847 HydrophobicContact CG2-CG 4.2Å; V820-F847 HydrophobicContact CG2-CZ 3.8Å; V820-T853 PolarHBondContact N-O 2.77Å; V820-V854 HydrophobicContact CG2-CB 4.48Å; V820-V854 HydrophobicContact CG2-CG2 3.85Å; V820-V854 CarbonylContact O-C 3.54Å; V820-V854 VanDerWaalsContact O-CA 3.31Å; V820-V854 WeakPolarHBondContact O-CA 3.26Å; V820-V855 WeakPolarHBondContact O-CG2 3.16Å; V820-V855 PolarHBondContact O-N 2.91Å; V820-H864 CarbonylContact C-O 3.5Å; V820-H864 VanDerWaalsContact CA-O 3.22Å; V820-H864 WeakPolarHBondContact CA-O 3.4Å; V820-H864 HydrophobicContact CB-CB 4.47Å; V820-H864 HydrophobicContact CG1-CB 3.85Å; V820-I866 HydrophobicContact CB-CD1 3.97Å; V820-I866 HydrophobicContact CG1-CD1 4.23Å; V820-I866 HydrophobicContact CG2-CD1 3.91Å |
| 821 | Y | 92.3 | Very high | 83.6 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 128.2 | 171.1 | 175.6 | -95.5 | 0 | 0 | 0 | 108.7 | Y825 G829 V855 L858 H864 V865 I866 | Y821-Y825 HydrophobicContact CE2-CD2 4.03Å; Y821-Y825 AromaticContact CE2-CE2 3.81Å; Y821-Y825 HydrophobicContact CE2-CE2 3.81Å; Y821-Y825 AromaticContact CZ-CD2 3.69Å; Y821-Y825 AromaticContact CZ-CE2 3.95Å; Y821-Y825 WeakPolarHBondContact OH-CD2 3.41Å; Y821-G829 WeakPolarHBondContact OH-CA 3.42Å; Y821-G829 PolarHBondContact OH-N 3.35Å; Y821-V855 HydrophobicContact CD2-CG2 4.32Å; Y821-L858 HydrophobicContact CD1-CB 4.49Å; Y821-L858 HydrophobicContact CD1-CD1 4.15Å; Y821-L858 HydrophobicContact CD2-CB 4.3Å; Y821-L858 HydrophobicContact CE2-CB 4.46Å; Y821-L858 HydrophobicContact CG-CB 4.31Å; Y821-L858 HydrophobicContact CG-CD1 4Å; Y821-H864 PolarHBondContact N-O 2.56Å; Y821-V865 HydrophobicContact CD1-CG1 4.12Å; Y821-V865 HydrophobicContact CD1-CG2 4.26Å; Y821-V865 WeakPolarHBondContact O-CA 3.48Å; Y821-I866 PolarHBondContact O-N 3.49Å |
| 822 | M | 91.7 | Very high | 84.1 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 125.6 | 177.4 | -60.6 | -65.9 | -173.7 | 0 | 0 | 108.7 | V820 R824 L840 A844 F847 V854 I866 | V820-M822 HydrophobicContact CG2-CE 3.92Å; M822-R824 HydrophobicContact CB-CG 4.23Å; M822-R824 PolarHBondContact O-N 3.21Å; M822-L840 HydrophobicContact CB-CB 4.5Å; M822-L840 HydrophobicContact SD-CD2 4.36Å; M822-A844 HydrophobicContact CE-CB 4.25Å; M822-A844 HydrophobicContact CG-CB 4.03Å; M822-F847 HydrophobicContact CE-CB 4.08Å; M822-F847 HydrophobicContact CE-CG 4.33Å; M822-V854 HydrophobicContact CE-CG2 4.1Å; M822-V854 HydrophobicContact CG-CG1 3.74Å; M822-I866 HydrophobicContact CE-CD1 3.54Å; M822-I866 HydrophobicContact SD-CB 3.61Å; M822-I866 HydrophobicContact SD-CD1 3.68Å; M822-I866 HydrophobicContact SD-CG1 4.18Å; M822-I866 HydrophobicContact SD-CG2 3.95Å |
| 823 | D | 88.8 | Confident | 84.4 | Confident | 10 Ų | 10 | 42.7 Ų | 42.7 | 5% | 0.053 | 23% | 0.226 | C | C | . | . | trans | -77.4 | 57.8 | -177.8 | -170.6 | 41.2 | 0 | 0 | 0 | 112.5 | I866 V867 R872 | D823-I866 PolarHBondContact N-O 3.26Å; D823-V867 HydrophobicContact CB-CG1 3.89Å; D823-R872 PolarHBondContact O-NH2 3.38Å; D823-R872 IonicContact OD1-CZ 2.95Å; D823-R872 IonicContact OD1-NE 2.99Å; D823-R872 IonicContact OD1-NH2 3.2Å; D823-R872 PolarHBondContact OD1-NH2 2.74Å; D823-R872 VanDerWaalsContact OD1-NH2 3.16Å; D823-R872 IonicContact OD2-CZ 3.84Å; D823-R872 IonicContact OD2-NE 2.94Å; D823-R872 PolarHBondContact OD2-NE 2.95Å; D823-R872 IonicContact OD2-NH2 3.81Å; D823-R872 PolarHBondContact OD2-NH2 3.29Å | ||
| 824 | R | 84 | Confident | 84.5 | Confident | 29 Ų | 29 | 45.6 Ų | 45.6 | 11% | 0.109 | 24% | 0.24 | C | C | . | . | trans | -106.4 | 18.7 | -174.6 | 64.5 | 176.7 | 179.6 | 171 | 4.9 | 114.1 | M822 V835 L840 D841 | M822-R824 HydrophobicContact CB-CG 4.23Å; M822-R824 PolarHBondContact O-N 3.21Å; R824-V835 PolarHBondContact O-N 3.36Å; R824-L840 HydrophobicContact CB-CB 4.17Å; R824-L840 HydrophobicContact CB-CD1 4.18Å; R824-D841 VanDerWaalsContact CD-OD1 3.24Å; R824-D841 WeakPolarHBondContact CD-OD1 3.37Å; R824-D841 IonicContact CZ-OD1 2.74Å; R824-D841 IonicContact NE-OD1 3.93Å; R824-D841 IonicContact NH1-OD1 3.62Å; R824-D841 PolarHBondContact NH1-OD1 3.49Å | ||
| 825 | Y | 83.3 | Confident | 84.4 | Confident | 5 Ų | 5 | 47.5 Ų | 47.5 | 2% | 0.02 | 25% | 0.252 | C | S | . | . | B | Isolated β-bridge | trans | -112.1 | 140.6 | -177.9 | -59.1 | -89.2 | 0 | 0 | 0 | 108.9 | Y821 D827 D830 S833 I834 R872 | Y821-Y825 HydrophobicContact CE2-CD2 4.03Å; Y821-Y825 AromaticContact CE2-CE2 3.81Å; Y821-Y825 HydrophobicContact CE2-CE2 3.81Å; Y821-Y825 AromaticContact CZ-CD2 3.69Å; Y821-Y825 AromaticContact CZ-CE2 3.95Å; Y821-Y825 WeakPolarHBondContact OH-CD2 3.41Å; Y825-D827 VanDerWaalsContact C-N 3.3Å; Y825-D827 VanDerWaalsContact CB-O 3.24Å; Y825-D827 WeakPolarHBondContact CB-O 3.3Å; Y825-D830 WeakPolarHBondContact CD1-O 3.26Å; Y825-S833 CarbonylContact C-O 3.31Å; Y825-S833 VanDerWaalsContact CA-O 3.31Å; Y825-S833 WeakPolarHBondContact CA-O 3.41Å; Y825-I834 HydrophobicContact CD1-CB 3.87Å; Y825-I834 HydrophobicContact CD1-CG1 4.25Å; Y825-I834 HydrophobicContact CE1-CB 3.8Å; Y825-I834 HydrophobicContact CE1-CD1 4.2Å; Y825-I834 HydrophobicContact CE1-CG1 3.98Å; Y825-R872 PolarHBondContact O-NH1 2.63Å; Y825-R872 PolarHBondContact O-NH2 3.35Å |
| 826 | A | 80.6 | Confident | 83.8 | Confident | 60 Ų | 60 | 52.2 Ų | 52.2 | 50% | 0.496 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -60.8 | -44.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | S833 V835 R872 | A826-S833 PolarHBondContact N-O 2.63Å; A826-V835 HydrophobicContact CB-CG2 4.15Å; A826-R872 PolarHBondContact O-NH1 3.01Å |
| 827 | D | 81.4 | Confident | 83.5 | Confident | 103 Ų | 103 | 53.5 Ų | 53.5 | 55% | 0.551 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -102.2 | 127.9 | 169.3 | -61.1 | -56.3 | 0 | 0 | 0 | 110.7 | Y825 G829 D830 S833 | Y825-D827 VanDerWaalsContact C-N 3.3Å; Y825-D827 VanDerWaalsContact CB-O 3.24Å; Y825-D827 WeakPolarHBondContact CB-O 3.3Å; D827-G829 PolarHBondContact O-N 3.04Å; D827-G829 VanDerWaalsContact O-N 3.13Å; D827-D830 HydrophobicContact CB-CB 4.18Å; D827-D830 PolarHBondContact O-N 3.39Å; D827-S833 PolarHBondContact N-OG 3.36Å; D827-S833 VanDerWaalsContact N-OG 3.09Å; D827-S833 PolarHBondContact O-OG 3.28Å |
| 828 | I | 81.2 | Confident | 83.5 | Confident | 47 Ų | 47 | 51.5 Ų | 51.5 | 24% | 0.241 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | 119.7 | -176.5 | -61 | 170.6 | 0 | 0 | 0 | 109.6 | A875 L876 L879 | I828-A875 HydrophobicContact CD1-CB 3.93Å; I828-L876 HydrophobicContact CD1-CD2 3.96Å; I828-L876 HydrophobicContact CD1-CG 4.09Å; I828-L876 HydrophobicContact CG1-CD2 4.47Å; I828-L876 HydrophobicContact CG2-CD2 3.72Å; I828-L879 HydrophobicContact CB-CD1 4.35Å; I828-L879 HydrophobicContact CG2-CD1 3.8Å |
| 829 | G | 72.3 | Confident | 83.3 | Confident | 24 Ų | 24 | 52.7 Ų | 52.7 | 25% | 0.247 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.3 | -0.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y821 D827 P831 | Y821-G829 WeakPolarHBondContact OH-CA 3.42Å; Y821-G829 PolarHBondContact OH-N 3.35Å; D827-G829 PolarHBondContact O-N 3.04Å; D827-G829 VanDerWaalsContact O-N 3.13Å; G829-P831 WeakPolarHBondContact O-CD 3.48Å |
| 830 | D | 80.9 | Confident | 83.1 | Confident | 63 Ų | 63 | 49.3 Ų | 49.3 | 34% | 0.337 | 30% | 0.295 | S | S | . | . | trans | -91 | 111.3 | 171.3 | -173.4 | 0.9 | 0 | 0 | 0 | 111 | Y825 D827 K832 S833 | Y825-D830 WeakPolarHBondContact CD1-O 3.26Å; D827-D830 HydrophobicContact CB-CB 4.18Å; D827-D830 PolarHBondContact O-N 3.39Å; D830-K832 PolarHBondContact O-N 2.97Å; D830-K832 VanDerWaalsContact O-N 3.12Å; D830-K832 WeakPolarHBondContact OD1-CB 3.43Å; D830-K832 PolarHBondContact OD1-N 3.25Å; D830-S833 PolarHBondContact O-N 3.11Å; D830-S833 PolarHBondContact O-OG 2.85Å; D830-S833 VanDerWaalsContact O-OG 3.06Å | ||
| 831 | P | 77.2 | Confident | 82.7 | Confident | 39 Ų | 39 | 50.8 Ų | 50.8 | 25% | 0.253 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -63.1 | -19.2 | 178.9 | -20.3 | 33.2 | 0 | 0 | 0 | 114.1 | G829 K857 | G829-P831 WeakPolarHBondContact O-CD 3.48Å; P831-K857 HydrophobicContact CG-CD 4.16Å; P831-K857 VanDerWaalsContact CG-CE 3.43Å; P831-K857 HydrophobicContact CG-CG 3.59Å |
| 832 | K | 80.9 | Confident | 82.5 | Confident | 192 Ų | 192 | 54.1 Ų | 54.1 | 84% | 0.835 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -79.9 | -19.3 | -178.1 | -65.1 | -177.9 | 177.8 | -179.5 | 0 | 113 | D830 I834 | D830-K832 PolarHBondContact O-N 2.97Å; D830-K832 VanDerWaalsContact O-N 3.12Å; D830-K832 WeakPolarHBondContact OD1-CB 3.43Å; D830-K832 PolarHBondContact OD1-N 3.25Å; K832-I834 VanDerWaalsContact C-N 3.34Å; K832-I834 PolarHBondContact O-N 2.82Å |
| 833 | S | 83.7 | Confident | 82.5 | Confident | 20 Ų | 20 | 56.6 Ų | 56.6 | 14% | 0.14 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -96.9 | 33 | -178.1 | 69.3 | 0 | 0 | 0 | 0 | 112.5 | Y825 A826 D827 D830 V835 | Y825-S833 CarbonylContact C-O 3.31Å; Y825-S833 VanDerWaalsContact CA-O 3.31Å; Y825-S833 WeakPolarHBondContact CA-O 3.41Å; A826-S833 PolarHBondContact N-O 2.63Å; D827-S833 PolarHBondContact N-OG 3.36Å; D827-S833 VanDerWaalsContact N-OG 3.09Å; D827-S833 PolarHBondContact O-OG 3.28Å; D830-S833 PolarHBondContact O-N 3.11Å; D830-S833 PolarHBondContact O-OG 2.85Å; D830-S833 VanDerWaalsContact O-OG 3.06Å; S833-V835 PolarHBondContact O-N 3.22Å |
| 834 | I | 82.1 | Confident | 82.6 | Confident | 75 Ų | 75 | 56.1 Ų | 56.1 | 39% | 0.385 | 33% | 0.331 | S | S | . | . | B | Isolated β-bridge | trans | -64.3 | 133.2 | -177.5 | -166.9 | 166.9 | 0 | 0 | 0 | 110.9 | Y825 K832 P836 | Y825-I834 HydrophobicContact CD1-CB 3.87Å; Y825-I834 HydrophobicContact CD1-CG1 4.25Å; Y825-I834 HydrophobicContact CE1-CB 3.8Å; Y825-I834 HydrophobicContact CE1-CD1 4.2Å; Y825-I834 HydrophobicContact CE1-CG1 3.98Å; K832-I834 VanDerWaalsContact C-N 3.34Å; K832-I834 PolarHBondContact O-N 2.82Å; I834-P836 WeakPolarHBondContact O-CD 3.3Å |
| 835 | V | 81.7 | Confident | 82.8 | Confident | 63 Ų | 63 | 60.4 Ų | 60.4 | 38% | 0.382 | 36% | 0.355 | S | S | . | . | trans | -94.6 | 106.3 | 171.1 | -175.5 | 0 | 0 | 0 | 0 | 106.9 | R824 A826 S833 T838 | R824-V835 PolarHBondContact O-N 3.36Å; A826-V835 HydrophobicContact CB-CG2 4.15Å; S833-V835 PolarHBondContact O-N 3.22Å; V835-T838 HydrophobicContact CB-CG2 4.17Å; V835-T838 HydrophobicContact CG1-CG2 3.85Å; V835-T838 WeakPolarHBondContact O-CG2 3.44Å | ||
| 836 | P | 76.9 | Confident | 83.2 | Confident | 99 Ų | 99 | 62.7 Ų | 62.7 | 64% | 0.643 | 37% | 0.366 | S | S | * | . | trans | -75.7 | 157.9 | -177.4 | 31.7 | -34.5 | 0 | 0 | 0 | 111.5 | I834 | I834-P836 WeakPolarHBondContact O-CD 3.3Š| ||
| 837 | A | 78.1 | Confident | 83.7 | Confident | 102 Ų | 102 | 59.8 Ų | 59.8 | 84% | 0.843 | 34% | 0.342 | S | S | * | . | S | Bend | trans | 66.1 | 36.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | D841 | A837-D841 PolarHBondContact N-OD2 3.48Š|
| 838 | T | 82.6 | Confident | 84.2 | Confident | 39 Ų | 39 | 59.4 Ų | 59.4 | 24% | 0.239 | 33% | 0.333 | C | S | . | . | trans | -91.6 | 159.6 | 171.8 | 63.4 | 0 | 0 | 0 | 0 | 111 | V835 L840 D841 | V835-T838 HydrophobicContact CB-CG2 4.17Å; V835-T838 HydrophobicContact CG1-CG2 3.85Å; V835-T838 WeakPolarHBondContact O-CG2 3.44Å; T838-L840 PolarHBondContact O-N 3.22Å; T838-D841 PolarHBondContact N-OD2 2.8Å; T838-D841 WeakPolarHBondContact O-CB 3.22Å; T838-D841 PolarHBondContact O-N 2.71Å; T838-D841 PolarHBondContact OG1-OD2 3.26Å | ||
| 839 | C | 84.3 | Confident | 84.5 | Confident | 59 Ų | 59 | 64.2 Ų | 64.2 | 40% | 0.399 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -59.2 | -29.2 | 173.2 | 57.8 | 0 | 0 | 0 | 0 | 112.2 | D841 T842 R843 V868 | C839-D841 PolarHBondContact O-N 2.76Å; C839-T842 WeakPolarHBondContact O-CB 3.31Å; C839-T842 PolarHBondContact O-N 2.9Å; C839-R843 WeakPolarHBondContact O-CG 3.2Å; C839-R843 PolarHBondContact O-N 2.9Å; C839-V868 WeakPolarHBondContact SG-CG2 3.33Å |
| 840 | L | 87.9 | Confident | 85.3 | Confident | 5 Ų | 5 | 64.2 Ų | 64.2 | 3% | 0.026 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.1 | -22.7 | 174.2 | -68.2 | -179.8 | 0 | 0 | 0 | 113.7 | M822 R824 T838 A844 I866 V868 E892 | M822-L840 HydrophobicContact CB-CB 4.5Å; M822-L840 HydrophobicContact SD-CD2 4.36Å; R824-L840 HydrophobicContact CB-CB 4.17Å; R824-L840 HydrophobicContact CB-CD1 4.18Å; T838-L840 PolarHBondContact O-N 3.22Å; L840-A844 WeakPolarHBondContact O-CB 3.36Å; L840-A844 PolarHBondContact O-N 2.98Å; L840-I866 HydrophobicContact CD2-CG2 3.99Å; L840-V868 HydrophobicContact CD1-CG2 3.8Å; L840-V868 HydrophobicContact CD2-CG2 3.57Å; L840-V868 HydrophobicContact CG-CG2 3.37Å; L840-E892 HydrophobicContact CD2-CB 3.99Å |
| 841 | D | 84.7 | Confident | 85.5 | Confident | 31 Ų | 31 | 61.7 Ų | 61.7 | 17% | 0.166 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -67.8 | -44 | 173.7 | -67.3 | -46.9 | 0 | 0 | 0 | 111 | R824 A837 T838 C839 A844 L845 | R824-D841 VanDerWaalsContact CD-OD1 3.24Å; R824-D841 WeakPolarHBondContact CD-OD1 3.37Å; R824-D841 IonicContact CZ-OD1 2.74Å; R824-D841 IonicContact NE-OD1 3.93Å; R824-D841 IonicContact NH1-OD1 3.62Å; R824-D841 PolarHBondContact NH1-OD1 3.49Å; A837-D841 PolarHBondContact N-OD2 3.48Å; T838-D841 PolarHBondContact N-OD2 2.8Å; T838-D841 WeakPolarHBondContact O-CB 3.22Å; T838-D841 PolarHBondContact O-N 2.71Å; T838-D841 PolarHBondContact OG1-OD2 3.26Å; C839-D841 PolarHBondContact O-N 2.76Å; D841-A844 PolarHBondContact O-N 3.12Å; D841-L845 PolarHBondContact O-N 3.35Å; D841-L845 VanDerWaalsContact O-N 3.16Å |
| 842 | T | 88.6 | Confident | 86 | Confident | 70 Ų | 70 | 60.1 Ų | 60.1 | 43% | 0.429 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64 | -47.2 | 173.6 | -51.8 | 0 | 0 | 0 | 0 | 110.7 | C839 A844 L845 E846 | C839-T842 WeakPolarHBondContact O-CB 3.31Å; C839-T842 PolarHBondContact O-N 2.9Å; T842-A844 VanDerWaalsContact C-N 3.26Å; T842-A844 PolarHBondContact O-N 3.06Å; T842-L845 WeakPolarHBondContact O-CB 3.43Å; T842-L845 PolarHBondContact O-N 2.68Å; T842-E846 PolarHBondContact O-N 3.34Å |
| 843 | R | 91.9 | Very high | 86.5 | Confident | 54 Ų | 54 | 53.2 Ų | 53.2 | 20% | 0.204 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61 | -34.8 | 176.8 | -59.9 | -61.5 | 93.5 | 122.6 | -16.1 | 112.4 | C839 L845 E846 F847 E892 T896 | C839-R843 WeakPolarHBondContact O-CG 3.2Å; C839-R843 PolarHBondContact O-N 2.9Å; R843-L845 VanDerWaalsContact C-N 3.33Å; R843-L845 PolarHBondContact O-N 3.12Å; R843-E846 IonicContact CZ-OE1 3.16Å; R843-E846 IonicContact CZ-OE2 3.83Å; R843-E846 IonicContact NE-OE1 2.61Å; R843-E846 IonicContact NE-OE2 3.56Å; R843-E846 PolarHBondContact NE-OE2 3.29Å; R843-E846 VanDerWaalsContact NH2-CD 3.27Å; R843-E846 IonicContact NH2-OE1 2.73Å; R843-E846 PolarHBondContact NH2-OE1 3.24Å; R843-E846 IonicContact NH2-OE2 3.64Å; R843-E846 PolarHBondContact NH2-OE2 3.38Å; R843-E846 PolarHBondContact O-N 3.29Å; R843-F847 WeakPolarHBondContact O-CB 3.22Å; R843-F847 PolarHBondContact O-N 2.85Å; R843-E892 VanDerWaalsContact CD-OE2 3.23Å; R843-E892 WeakPolarHBondContact CD-OE2 3.18Å; R843-E892 HydrophobicContact CG-CB 4.43Å; R843-E892 IonicContact NH1-OE2 2.64Å; R843-T896 VanDerWaalsContact CZ-CG2 3.45Å |
| 844 | A | 89.6 | Confident | 86.9 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -67.8 | -31.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | M822 L840 D841 T842 R848 V854 | M822-A844 HydrophobicContact CE-CB 4.25Å; M822-A844 HydrophobicContact CG-CB 4.03Å; L840-A844 WeakPolarHBondContact O-CB 3.36Å; L840-A844 PolarHBondContact O-N 2.98Å; D841-A844 PolarHBondContact O-N 3.12Å; T842-A844 VanDerWaalsContact C-N 3.26Å; T842-A844 PolarHBondContact O-N 3.06Å; A844-R848 VanDerWaalsContact O-CG 3.26Å; A844-R848 WeakPolarHBondContact O-CG 3.48Å; A844-R848 PolarHBondContact O-N 3.5Å; A844-R848 PolarHBondContact O-NH1 3.16Å; A844-R848 VanDerWaalsContact O-NH1 3.12Å; A844-V854 HydrophobicContact CB-CG1 4.3Å; A844-V854 HydrophobicContact CB-CG2 4.34Å |
| 845 | L | 89.1 | Confident | 87.2 | Confident | 118 Ų | 118 | 50 Ų | 50 | 62% | 0.618 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -73.2 | -47.6 | 174.3 | -71.1 | 171.5 | 0 | 0 | 0 | 110.6 | D841 T842 R843 F847 R848 F849 | D841-L845 PolarHBondContact O-N 3.35Å; D841-L845 VanDerWaalsContact O-N 3.16Å; T842-L845 WeakPolarHBondContact O-CB 3.43Å; T842-L845 PolarHBondContact O-N 2.68Å; R843-L845 VanDerWaalsContact C-N 3.33Å; R843-L845 PolarHBondContact O-N 3.12Å; L845-F847 PolarHBondContact O-N 3.5Å; L845-R848 PolarHBondContact O-N 2.98Å; L845-F849 WeakPolarHBondContact O-CB 3.23Å; L845-F849 PolarHBondContact O-N 3.5Å |
| 846 | E | 91.9 | Very high | 87.3 | Confident | 53 Ų | 53 | 52.7 Ų | 52.7 | 25% | 0.248 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.9 | -46.1 | 177.8 | -73.1 | 169.7 | 177.1 | 0 | 0 | 112 | T842 R843 R848 F849 H850 I899 | T842-E846 PolarHBondContact O-N 3.34Å; R843-E846 IonicContact CZ-OE1 3.16Å; R843-E846 IonicContact CZ-OE2 3.83Å; R843-E846 IonicContact NE-OE1 2.61Å; R843-E846 IonicContact NE-OE2 3.56Å; R843-E846 PolarHBondContact NE-OE2 3.29Å; R843-E846 VanDerWaalsContact NH2-CD 3.27Å; R843-E846 IonicContact NH2-OE1 2.73Å; R843-E846 PolarHBondContact NH2-OE1 3.24Å; R843-E846 IonicContact NH2-OE2 3.64Å; R843-E846 PolarHBondContact NH2-OE2 3.38Å; R843-E846 PolarHBondContact O-N 3.29Å; E846-R848 VanDerWaalsContact C-N 3.28Å; E846-R848 PolarHBondContact O-N 3.04Å; E846-F849 WeakPolarHBondContact O-CB 3.47Å; E846-F849 PolarHBondContact O-N 3.1Å; E846-F849 VanDerWaalsContact O-N 3.11Å; E846-H850 PolarHBondContact O-CD2 2.69Å; E846-H850 PolarHBondContact O-N 3.32Å; E846-I899 HydrophobicContact CB-CD1 3.69Å; E846-I899 HydrophobicContact CG-CD1 4.43Å |
| 847 | F | 91.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.4 | -39 | 177.4 | -164.9 | -91.7 | 0 | 0 | 0 | 112.3 | F815 F818 V820 M822 R843 L845 G852 V854 I866 W894 V895 | F815-F847 HydrophobicContact CB-CD1 4.28Å; F815-F847 HydrophobicContact CB-CD2 4.1Å; F815-F847 HydrophobicContact CB-CE1 3.91Å; F815-F847 HydrophobicContact CB-CE2 3.75Å; F815-F847 HydrophobicContact CB-CG 4.37Å; F815-F847 HydrophobicContact CB-CZ 3.63Å; F815-F847 AromaticContact CD1-CD2 3.85Å; F815-F847 HydrophobicContact CD1-CD2 3.85Å; F815-F847 AromaticContact CD1-CE2 3.22Å; F815-F847 HydrophobicContact CD1-CE2 3.22Å; F815-F847 AromaticContact CD1-CZ 3.8Å; F815-F847 HydrophobicContact CD1-CZ 3.8Å; F815-F847 AromaticContact CD2-CD2 3.66Å; F815-F847 HydrophobicContact CD2-CD2 3.66Å; F815-F847 AromaticContact CD2-CE2 3.91Å; F815-F847 HydrophobicContact CD2-CE2 3.91Å; F815-F847 HydrophobicContact CD2-CG 4.22Å; F815-F847 HydrophobicContact CE1-CD2 4.09Å; F815-F847 AromaticContact CE1-CE2 3.66Å; F815-F847 HydrophobicContact CE1-CE2 3.66Å; F815-F847 AromaticContact CE2-CD2 3.94Å; F815-F847 HydrophobicContact CE2-CD2 3.94Å; F815-F847 HydrophobicContact CE2-CE2 4.3Å; F815-F847 AromaticContact CG-CD2 3.62Å; F815-F847 HydrophobicContact CG-CD2 3.62Å; F815-F847 HydrophobicContact CG-CE1 4.42Å; F815-F847 AromaticContact CG-CE2 3.36Å; F815-F847 HydrophobicContact CG-CE2 3.36Å; F815-F847 HydrophobicContact CG-CG 4.28Å; F815-F847 AromaticContact CG-CZ 3.8Å; F815-F847 HydrophobicContact CG-CZ 3.8Å; F815-F847 HydrophobicContact CZ-CD2 4.13Å; F815-F847 HydrophobicContact CZ-CE2 4.18Å; F818-F847 HydrophobicContact CB-CE1 4.35Å; F818-F847 HydrophobicContact CB-CZ 3.8Å; V820-F847 HydrophobicContact CB-CE1 4.14Å; V820-F847 HydrophobicContact CB-CZ 4.21Å; V820-F847 HydrophobicContact CG1-CE1 3.64Å; V820-F847 HydrophobicContact CG1-CE2 4.12Å; V820-F847 HydrophobicContact CG1-CZ 3.33Å; V820-F847 HydrophobicContact CG2-CD1 3.59Å; V820-F847 HydrophobicContact CG2-CE1 3.36Å; V820-F847 HydrophobicContact CG2-CE2 4.38Å; V820-F847 HydrophobicContact CG2-CG 4.2Å; V820-F847 HydrophobicContact CG2-CZ 3.8Å; M822-F847 HydrophobicContact CE-CB 4.08Å; M822-F847 HydrophobicContact CE-CG 4.33Å; R843-F847 WeakPolarHBondContact O-CB 3.22Å; R843-F847 PolarHBondContact O-N 2.85Å; L845-F847 PolarHBondContact O-N 3.5Å; F847-G852 WeakPolarHBondContact O-CA 3.19Å; F847-G852 PolarHBondContact O-N 2.95Å; F847-V854 HydrophobicContact CB-CG2 4.35Å; F847-V854 HydrophobicContact CD1-CG2 3.92Å; F847-V854 HydrophobicContact CG-CG2 4.49Å; F847-I866 HydrophobicContact CE2-CD1 4.44Å; F847-W894 HydrophobicContact CE2-CH2 4.48Å; F847-W894 AromaticContact CE2-CZ3 3.98Å; F847-W894 HydrophobicContact CE2-CZ3 3.98Å; F847-W894 HydrophobicContact CZ-CZ3 4.46Å; F847-V895 HydrophobicContact CB-CG1 4.29Å; F847-V895 HydrophobicContact CD2-CB 4.47Å; F847-V895 HydrophobicContact CD2-CG1 3.97Å; F847-V895 HydrophobicContact CD2-CG2 3.7Å; F847-V895 HydrophobicContact CE2-CG2 4.17Å |
| 848 | R | 90.6 | Very high | 88.1 | Confident | 94 Ų | 94 | 50 Ų | 50 | 36% | 0.355 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -70.4 | -39.6 | 174.6 | -74.1 | -176.2 | -168.8 | 102.2 | -5.3 | 112.4 | A844 L845 E846 H850 G851 G852 V854 | A844-R848 VanDerWaalsContact O-CG 3.26Å; A844-R848 WeakPolarHBondContact O-CG 3.48Å; A844-R848 PolarHBondContact O-N 3.5Å; A844-R848 PolarHBondContact O-NH1 3.16Å; A844-R848 VanDerWaalsContact O-NH1 3.12Å; L845-R848 PolarHBondContact O-N 2.98Å; E846-R848 VanDerWaalsContact C-N 3.28Å; E846-R848 PolarHBondContact O-N 3.04Å; R848-H850 PolarHBondContact O-N 3.04Å; R848-G851 PolarHBondContact O-N 3.47Å; R848-G852 WeakPolarHBondContact CA-O 3.43Å; R848-V854 HydrophobicContact CG-CB 4.33Å; R848-V854 HydrophobicContact CG-CG2 3.89Å |
| 849 | F | 88.4 | Confident | 88.3 | Confident | 148 Ų | 148 | 52.3 Ų | 52.3 | 65% | 0.649 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -59.4 | -39.2 | 177.2 | -176.9 | -97.1 | 0 | 0 | 0 | 111.1 | T812 L845 E846 G851 | T812-F849 HydrophobicContact CG2-CE1 4.38Å; L845-F849 WeakPolarHBondContact O-CB 3.23Å; L845-F849 PolarHBondContact O-N 3.5Å; E846-F849 WeakPolarHBondContact O-CB 3.47Å; E846-F849 PolarHBondContact O-N 3.1Å; E846-F849 VanDerWaalsContact O-N 3.11Å; F849-G851 PolarHBondContact O-N 3.18Å |
| 850 | H | 88.9 | Confident | 88.4 | Confident | 24 Ų | 24 | 53.7 Ų | 53.7 | 11% | 0.111 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | 25.7 | 175.3 | -68.4 | -81.5 | 0 | 0 | 0 | 113.7 | P811 T812 S813 M814 F815 E846 R848 G852 | P811-H850 PolarHBondContact O-ND1 3.35Å; T812-H850 CarbonylContact O-C 3.51Å; T812-H850 VanDerWaalsContact O-CA 3.29Å; T812-H850 WeakPolarHBondContact O-CA 3.08Å; S813-H850 CarbonylContact C-O 3.47Å; M814-H850 HydrophobicContact CE-CB 3.81Å; M814-H850 HydrophobicContact CG-CB 4.32Å; M814-H850 PolarHBondContact N-O 2.91Å; F815-H850 HydrophobicContact CD2-CB 3.62Å; F815-H850 HydrophobicContact CE2-CB 4.16Å; F815-H850 PolarHBondContact N-O 3.32Å; E846-H850 PolarHBondContact O-CD2 2.69Å; E846-H850 PolarHBondContact O-N 3.32Å; R848-H850 PolarHBondContact O-N 3.04Å; H850-G852 PolarHBondContact O-N 2.83Å |
| 851 | G | 85.1 | Confident | 88.2 | Confident | 11 Ų | 11 | 55.1 Ų | 55.1 | 11% | 0.113 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 93 | -10.6 | 164.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | T812 R816 R848 F849 | T812-G851 PolarHBondContact O-N 2.95Å; R816-G851 VanDerWaalsContact CA-O 3.24Å; R816-G851 WeakPolarHBondContact CA-O 3.26Å; R848-G851 PolarHBondContact O-N 3.47Å; F849-G851 PolarHBondContact O-N 3.18Å |
| 852 | G | 88.3 | Confident | 88.5 | Confident | 6 Ų | 6 | 53.9 Ų | 53.9 | 6% | 0.062 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -77.3 | 158 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | F815 F847 R848 H850 | F815-G852 WeakPolarHBondContact O-CA 3.29Å; F847-G852 WeakPolarHBondContact O-CA 3.19Å; F847-G852 PolarHBondContact O-N 2.95Å; R848-G852 WeakPolarHBondContact CA-O 3.43Å; H850-G852 PolarHBondContact O-N 2.83Å |
| 853 | T | 91.2 | Very high | 88.6 | Confident | 47 Ų | 47 | 52.2 Ų | 52.2 | 29% | 0.288 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 119.4 | -178.7 | -61 | 0 | 0 | 0 | 0 | 110.8 | F818 R819 V820 V855 | F818-T853 PolarHBondContact O-N 2.72Å; R819-T853 CarbonylContact C-O 3.54Å; R819-T853 VanDerWaalsContact CA-O 3.3Å; R819-T853 WeakPolarHBondContact CA-O 3.43Å; R819-T853 HydrophobicContact CG-CG2 4.24Å; V820-T853 PolarHBondContact N-O 2.77Å; T853-V855 HydrophobicContact CG2-CG1 4.47Å |
| 854 | V | 91.1 | Very high | 88.8 | Confident | 14 Ų | 14 | 49.9 Ų | 49.9 | 9% | 0.085 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 116.9 | 175.2 | -179.8 | 0 | 0 | 0 | 0 | 110.4 | V820 M822 A844 F847 R848 | V820-V854 HydrophobicContact CG2-CB 4.48Å; V820-V854 HydrophobicContact CG2-CG2 3.85Å; V820-V854 CarbonylContact O-C 3.54Å; V820-V854 VanDerWaalsContact O-CA 3.31Å; V820-V854 WeakPolarHBondContact O-CA 3.26Å; M822-V854 HydrophobicContact CE-CG2 4.1Å; M822-V854 HydrophobicContact CG-CG1 3.74Å; A844-V854 HydrophobicContact CB-CG1 4.3Å; A844-V854 HydrophobicContact CB-CG2 4.34Å; F847-V854 HydrophobicContact CB-CG2 4.35Å; F847-V854 HydrophobicContact CD1-CG2 3.92Å; F847-V854 HydrophobicContact CG-CG2 4.49Å; R848-V854 HydrophobicContact CG-CB 4.33Å; R848-V854 HydrophobicContact CG-CG2 3.89Å |
| 855 | V | 90 | Very high | 88.9 | Confident | 14 Ų | 14 | 49.9 Ų | 49.9 | 9% | 0.085 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 151 | 179.5 | -62.7 | 0 | 0 | 0 | 0 | 111.8 | V820 Y821 T853 K857 V862 | V820-V855 WeakPolarHBondContact O-CG2 3.16Å; V820-V855 PolarHBondContact O-N 2.91Å; Y821-V855 HydrophobicContact CD2-CG2 4.32Å; T853-V855 HydrophobicContact CG2-CG1 4.47Å; V855-K857 VanDerWaalsContact CG2-O 3.26Å; V855-K857 WeakPolarHBondContact CG2-O 3.26Å; V855-V862 HydrophobicContact CG2-CG2 3.54Å |
| 856 | Q | 84 | Confident | 89.1 | Confident | 118 Ų | 118 | 44.3 Ų | 44.3 | 55% | 0.551 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -89.3 | -19.3 | 179.1 | -64.9 | -177.3 | -5.8 | 0 | 0 | 113.4 | ||
| 857 | K | 84 | Confident | 89.1 | Confident | 120 Ų | 120 | 41.8 Ų | 41.8 | 52% | 0.522 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -124.1 | 144.2 | 178.3 | -69.6 | -175 | 179.1 | -176.9 | 0 | 109.6 | P831 V855 E859 | P831-K857 HydrophobicContact CG-CD 4.16Å; P831-K857 VanDerWaalsContact CG-CE 3.43Å; P831-K857 HydrophobicContact CG-CG 3.59Å; V855-K857 VanDerWaalsContact CG2-O 3.26Å; V855-K857 WeakPolarHBondContact CG2-O 3.26Å; K857-E859 PolarHBondContact O-N 2.95Å |
| 858 | L | 86.3 | Confident | 88.9 | Confident | 24 Ų | 24 | 45.1 Ų | 45.1 | 13% | 0.126 | 23% | 0.231 | C | C | . | . | trans | -78.4 | 99.6 | 172.6 | -169.5 | 63.8 | 0 | 0 | 0 | 108.5 | Y821 V862 V865 F883 F887 | Y821-L858 HydrophobicContact CD1-CB 4.49Å; Y821-L858 HydrophobicContact CD1-CD1 4.15Å; Y821-L858 HydrophobicContact CD2-CB 4.3Å; Y821-L858 HydrophobicContact CE2-CB 4.46Å; Y821-L858 HydrophobicContact CG-CB 4.31Å; Y821-L858 HydrophobicContact CG-CD1 4Å; L858-V862 HydrophobicContact CD1-CB 4.31Å; L858-V862 HydrophobicContact CD1-CG1 4.04Å; L858-V862 HydrophobicContact CD1-CG2 4.4Å; L858-V865 HydrophobicContact CD1-CG2 3.55Å; L858-F883 HydrophobicContact CD2-CE2 4.33Å; L858-F883 HydrophobicContact CD2-CZ 4.23Å; L858-F883 HydrophobicContact CG-CE1 4.44Å; L858-F883 HydrophobicContact CG-CE2 4.36Å; L858-F883 HydrophobicContact CG-CZ 3.8Å; L858-F887 HydrophobicContact CD1-CD1 4.23Å; L858-F887 HydrophobicContact CD1-CE1 4.01Å; L858-F887 HydrophobicContact CD1-CZ 4.31Å; L858-F887 HydrophobicContact CD2-CE1 3.92Å; L858-F887 HydrophobicContact CD2-CZ 3.85Å; L858-F887 HydrophobicContact CG-CE1 4.18Å | ||
| 859 | E | 86.8 | Confident | 88.4 | Confident | 89 Ų | 89 | 46.9 Ų | 46.9 | 42% | 0.416 | 24% | 0.244 | S | C | . | . | trans | -128.5 | 168.4 | -173.1 | 65.7 | 178.6 | -167.3 | 0 | 0 | 112.3 | R819 K857 G861 V862 | R819-E859 IonicContact NH2-OE1 3.63Å; R819-E859 PolarHBondContact NH2-OE1 3.05Å; K857-E859 PolarHBondContact O-N 2.95Å; E859-G861 PolarHBondContact O-N 3.02Å; E859-V862 HydrophobicContact CG-CG2 4.41Å; E859-V862 VanDerWaalsContact O-CG2 3.3Å; E859-V862 WeakPolarHBondContact O-CG2 3.48Å; E859-V862 PolarHBondContact O-N 2.94Å | ||
| 860 | E | 86.8 | Confident | 88.1 | Confident | 87 Ų | 87 | 44.2 Ų | 44.2 | 41% | 0.407 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | 130.8 | -178.6 | -165.7 | 66.9 | -157.1 | 0 | 0 | 110.9 | F883 T884 K885 | E860-F883 WeakPolarHBondContact OE2-CD1 3.33Å; E860-T884 WeakPolarHBondContact OE1-CB 3.36Å; E860-T884 PolarHBondContact OE1-N 3.18Å; E860-T884 PolarHBondContact OE1-OG1 3.33Å; E860-T884 PolarHBondContact OE2-N 3.18Å; E860-T884 PolarHBondContact OE2-OG1 3.26Å; E860-K885 PolarHBondContact OE1-N 3.26Å |
| 861 | G | 84.3 | Confident | 87.7 | Confident | 35 Ų | 35 | 48.5 Ų | 48.5 | 36% | 0.361 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.2 | 0.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | E859 | E859-G861 PolarHBondContact O-N 3.02Š|
| 862 | V | 90.3 | Very high | 87.4 | Confident | 6 Ų | 6 | 51.4 Ų | 51.4 | 4% | 0.036 | 27% | 0.269 | C | S | . | . | trans | -65.3 | 130.9 | 163.3 | 174.4 | 0 | 0 | 0 | 0 | 109.6 | V855 L858 E859 H864 F887 | V855-V862 HydrophobicContact CG2-CG2 3.54Å; L858-V862 HydrophobicContact CD1-CB 4.31Å; L858-V862 HydrophobicContact CD1-CG1 4.04Å; L858-V862 HydrophobicContact CD1-CG2 4.4Å; E859-V862 HydrophobicContact CG-CG2 4.41Å; E859-V862 VanDerWaalsContact O-CG2 3.3Å; E859-V862 WeakPolarHBondContact O-CG2 3.48Å; E859-V862 PolarHBondContact O-N 2.94Å; V862-H864 WeakPolarHBondContact CG1-O 3.35Å; V862-F887 HydrophobicContact CG1-CB 4.42Å; V862-F887 WeakPolarHBondContact O-CB 3.33Å | ||
| 863 | S | 91.9 | Very high | 87.3 | Confident | 34 Ų | 34 | 51.5 Ų | 51.5 | 24% | 0.238 | 27% | 0.268 | C | S | . | . | trans | -89.2 | -44 | -179.3 | 64.1 | 0 | 0 | 0 | 0 | 112.6 | R819 F887 K888 | R819-S863 PolarHBondContact N-OG 2.94Å; R819-S863 PolarHBondContact O-N 2.93Å; R819-S863 PolarHBondContact O-OG 2.71Å; S863-F887 WeakPolarHBondContact O-CA 3.21Å; S863-F887 WeakPolarHBondContact O-CB 3.34Å; S863-K888 PolarHBondContact O-N 3Å | ||
| 864 | H | 94.1 | Very high | 87 | Confident | 6 Ų | 6 | 55.7 Ų | 55.7 | 3% | 0.028 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 145.3 | -176.7 | -59.4 | 73.1 | 0 | 0 | 0 | 111.5 | F818 R819 V820 Y821 V862 K888 V890 W894 D907 | F818-H864 AromaticContact CD1-CE1 3.5Å; F818-H864 AromaticContact CD1-ND1 3.65Å; F818-H864 AromaticContact CE1-CE1 3.69Å; R819-H864 PolarHBondContact O-N 2.98Å; V820-H864 CarbonylContact C-O 3.5Å; V820-H864 VanDerWaalsContact CA-O 3.22Å; V820-H864 WeakPolarHBondContact CA-O 3.4Å; V820-H864 HydrophobicContact CB-CB 4.47Å; V820-H864 HydrophobicContact CG1-CB 3.85Å; Y821-H864 PolarHBondContact N-O 2.56Å; V862-H864 WeakPolarHBondContact CG1-O 3.35Å; H864-K888 CarbonylContact C-O 3.43Å; H864-K888 VanDerWaalsContact CA-O 3.26Å; H864-K888 WeakPolarHBondContact CA-O 3.33Å; H864-V890 HydrophobicContact CB-CG2 4.34Å; H864-W894 HydrophobicContact CB-CZ3 4.48Å; H864-D907 IonicContact CE1-OD2 3.64Å; H864-D907 IonicContact NE2-OD2 3.16Å; H864-D907 PolarHBondContact NE2-OD2 3.31Å |
| 865 | V | 93.3 | Very high | 86.7 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 123.6 | 164.2 | 173.8 | 0 | 0 | 0 | 0 | 107.6 | Y821 L858 V867 L876 F887 K888 I889 V890 | Y821-V865 HydrophobicContact CD1-CG1 4.12Å; Y821-V865 HydrophobicContact CD1-CG2 4.26Å; Y821-V865 WeakPolarHBondContact O-CA 3.48Å; L858-V865 HydrophobicContact CD1-CG2 3.55Å; V865-V867 HydrophobicContact CG1-CG1 4.17Å; V865-L876 HydrophobicContact CG1-CD1 3.87Å; V865-L876 HydrophobicContact CG1-CD2 4.16Å; V865-F887 HydrophobicContact CB-CD2 3.99Å; V865-F887 HydrophobicContact CB-CE2 4.07Å; V865-F887 HydrophobicContact CG2-CD2 3.33Å; V865-F887 HydrophobicContact CG2-CE2 3.38Å; V865-F887 HydrophobicContact CG2-CG 3.97Å; V865-F887 HydrophobicContact CG2-CZ 4.04Å; V865-K888 PolarHBondContact N-O 2.92Å; V865-I889 HydrophobicContact CB-CG1 4.48Å; V865-I889 WeakPolarHBondContact O-CA 3.02Å; V865-V890 PolarHBondContact O-N 2.84Å |
| 866 | I | 93.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 125.9 | -176.8 | -62.1 | 166.4 | 0 | 0 | 0 | 109 | V820 Y821 M822 D823 L840 F847 V890 E892 V895 | V820-I866 HydrophobicContact CB-CD1 3.97Å; V820-I866 HydrophobicContact CG1-CD1 4.23Å; V820-I866 HydrophobicContact CG2-CD1 3.91Å; Y821-I866 PolarHBondContact O-N 3.49Å; M822-I866 HydrophobicContact CE-CD1 3.54Å; M822-I866 HydrophobicContact SD-CB 3.61Å; M822-I866 HydrophobicContact SD-CD1 3.68Å; M822-I866 HydrophobicContact SD-CG1 4.18Å; M822-I866 HydrophobicContact SD-CG2 3.95Å; D823-I866 PolarHBondContact N-O 3.26Å; L840-I866 HydrophobicContact CD2-CG2 3.99Å; F847-I866 HydrophobicContact CE2-CD1 4.44Å; I866-V890 WeakPolarHBondContact CA-O 3.42Å; I866-V890 HydrophobicContact CG1-CG2 3.83Å; I866-E892 HydrophobicContact CG2-CB 3.91Å; I866-V895 HydrophobicContact CD1-CG2 3.67Å |
| 867 | V | 91.6 | Very high | 86.9 | Confident | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.006 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 151.9 | -176.9 | -58.8 | 0 | 0 | 0 | 0 | 111.4 | D823 V865 V873 L876 I889 V890 R891 E892 V912 | D823-V867 HydrophobicContact CB-CG1 3.89Å; V865-V867 HydrophobicContact CG1-CG1 4.17Å; V867-V873 HydrophobicContact CG2-CG2 4.42Å; V867-L876 HydrophobicContact CG1-CD1 3.62Å; V867-I889 HydrophobicContact CG1-CG2 4.01Å; V867-I889 HydrophobicContact CG2-CG2 4.18Å; V867-V890 PolarHBondContact N-O 3.46Å; V867-R891 CarbonylContact O-C 3.58Å; V867-R891 WeakPolarHBondContact O-CA 3.24Å; V867-E892 PolarHBondContact O-N 3.16Å; V867-V912 HydrophobicContact CG2-CG2 3.78Å |
| 868 | V | 86.7 | Confident | 87 | Confident | 69 Ų | 69 | 54.1 Ų | 54.1 | 42% | 0.418 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -94.4 | -47 | 173.8 | -176 | 0 | 0 | 0 | 0 | 110.3 | C839 L840 E892 | C839-V868 WeakPolarHBondContact SG-CG2 3.33Å; L840-V868 HydrophobicContact CD1-CG2 3.8Å; L840-V868 HydrophobicContact CD2-CG2 3.57Å; L840-V868 HydrophobicContact CG-CG2 3.37Å; V868-E892 HydrophobicContact CG2-CG 4.42Å |
| 869 | E | 79.8 | Confident | 87 | Confident | 131 Ų | 131 | 55.7 Ų | 55.7 | 61% | 0.612 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -116.8 | 146.9 | -179 | -62.6 | -178.3 | 180 | 0 | 0 | 110.6 | T871 | E869-T871 HydrophobicContact CB-CG2 4.4Å; E869-T871 PolarHBondContact O-N 2.9Å |
| 870 | E | 82.2 | Confident | 87.1 | Confident | 92 Ų | 92 | 55.1 Ų | 55.1 | 43% | 0.43 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -81.4 | 0.1 | -177.3 | -68.3 | 179.1 | -156.1 | 0 | 0 | 113.9 | R872 V873 R891 V912 | E870-R872 PolarHBondContact O-N 3.08Å; E870-R872 VanDerWaalsContact O-N 3.12Å; E870-V873 HydrophobicContact CB-CG2 4.02Å; E870-V873 HydrophobicContact CG-CG2 4.22Å; E870-V873 WeakPolarHBondContact O-CB 3.29Å; E870-V873 WeakPolarHBondContact O-CG2 3.47Å; E870-V873 PolarHBondContact O-N 2.85Å; E870-V873 VanDerWaalsContact O-N 3.12Å; E870-R891 IonicContact OE1-CZ 3.87Å; E870-R891 IonicContact OE1-NE 2.87Å; E870-R891 PolarHBondContact OE1-NE 3.43Å; E870-R891 IonicContact OE1-NH2 3.14Å; E870-R891 PolarHBondContact OE1-NH2 2.95Å; E870-V912 VanDerWaalsContact CD-CG1 3.46Å; E870-V912 HydrophobicContact CG-CB 4.1Å; E870-V912 HydrophobicContact CG-CG1 3.84Å; E870-V912 WeakPolarHBondContact OE1-CG1 3.41Å |
| 871 | T | 81 | Confident | 87.1 | Confident | 114 Ų | 114 | 60.2 Ų | 60.2 | 70% | 0.699 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -57.8 | -30.3 | -175 | 53.3 | 0 | 0 | 0 | 0 | 113.3 | E869 | E869-T871 HydrophobicContact CB-CG2 4.4Å; E869-T871 PolarHBondContact O-N 2.9Å |
| 872 | R | 79.2 | Confident | 87.1 | Confident | 73 Ų | 73 | 65.6 Ų | 65.6 | 28% | 0.275 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -105.4 | 5.1 | -179.2 | -60 | -165.5 | -63.5 | -166.1 | -6.9 | 115 | D823 Y825 A826 E870 L874 A875 L876 | D823-R872 PolarHBondContact O-NH2 3.38Å; D823-R872 IonicContact OD1-CZ 2.95Å; D823-R872 IonicContact OD1-NE 2.99Å; D823-R872 IonicContact OD1-NH2 3.2Å; D823-R872 PolarHBondContact OD1-NH2 2.74Å; D823-R872 VanDerWaalsContact OD1-NH2 3.16Å; D823-R872 IonicContact OD2-CZ 3.84Å; D823-R872 IonicContact OD2-NE 2.94Å; D823-R872 PolarHBondContact OD2-NE 2.95Å; D823-R872 IonicContact OD2-NH2 3.81Å; D823-R872 PolarHBondContact OD2-NH2 3.29Å; Y825-R872 PolarHBondContact O-NH1 2.63Å; Y825-R872 PolarHBondContact O-NH2 3.35Å; A826-R872 PolarHBondContact O-NH1 3.01Å; E870-R872 PolarHBondContact O-N 3.08Å; E870-R872 VanDerWaalsContact O-N 3.12Å; R872-L874 VanDerWaalsContact C-N 3.3Å; R872-L874 PolarHBondContact O-N 3.29Å; R872-A875 PolarHBondContact O-N 3.32Å; R872-L876 PolarHBondContact O-N 2.98Å; R872-L876 VanDerWaalsContact O-N 3.11Å |
| 873 | V | 85.5 | Confident | 86.9 | Confident | 7 Ų | 7 | 66.5 Ų | 66.5 | 4% | 0.042 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.6 | -36.4 | -176.8 | 170.5 | 0 | 0 | 0 | 0 | 112.1 | V867 E870 A875 L876 R877 I889 V912 | V867-V873 HydrophobicContact CG2-CG2 4.42Å; E870-V873 HydrophobicContact CB-CG2 4.02Å; E870-V873 HydrophobicContact CG-CG2 4.22Å; E870-V873 WeakPolarHBondContact O-CB 3.29Å; E870-V873 WeakPolarHBondContact O-CG2 3.47Å; E870-V873 PolarHBondContact O-N 2.85Å; E870-V873 VanDerWaalsContact O-N 3.12Å; V873-A875 PolarHBondContact O-N 3.19Å; V873-L876 PolarHBondContact O-N 3.28Å; V873-R877 HydrophobicContact CG1-CG 4.16Å; V873-R877 WeakPolarHBondContact O-CB 3.46Å; V873-R877 VanDerWaalsContact O-CG 3.27Å; V873-R877 WeakPolarHBondContact O-CG 3.19Å; V873-R877 PolarHBondContact O-N 2.98Å; V873-I889 HydrophobicContact CG2-CG2 4.48Å; V873-V912 HydrophobicContact CG2-CB 4.39Å; V873-V912 HydrophobicContact CG2-CG2 4.32Å |
| 874 | L | 85.4 | Confident | 86.6 | Confident | 136 Ų | 136 | 71 Ų | 71 | 71% | 0.712 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -63.9 | -40.2 | 178.2 | -172.1 | 67 | 0 | 0 | 0 | 112.4 | R872 R877 T878 | R872-L874 VanDerWaalsContact C-N 3.3Å; R872-L874 PolarHBondContact O-N 3.29Å; L874-R877 PolarHBondContact O-N 2.77Å; L874-T878 PolarHBondContact O-N 3.27Å; L874-T878 VanDerWaalsContact O-N 3.09Å; L874-T878 PolarHBondContact O-OG1 2.85Å |
| 875 | A | 85.7 | Confident | 86.2 | Confident | 48 Ų | 48 | 78.1 Ų | 78.1 | 40% | 0.397 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -66.1 | -45.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | I828 R872 V873 R877 T878 L879 | I828-A875 HydrophobicContact CD1-CB 3.93Å; R872-A875 PolarHBondContact O-N 3.32Å; V873-A875 PolarHBondContact O-N 3.19Å; A875-R877 PolarHBondContact O-N 2.81Å; A875-T878 WeakPolarHBondContact O-CB 3.24Å; A875-T878 PolarHBondContact O-N 2.94Å; A875-T878 VanDerWaalsContact O-N 3.15Å; A875-L879 PolarHBondContact O-N 2.91Å |
| 876 | L | 88.2 | Confident | 86.1 | Confident | 0 Ų | 0 | 83.2 Ų | 83.2 | 0% | 0 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -62.6 | -38.9 | 176.5 | -70.3 | 169.4 | 0 | 0 | 0 | 112.6 | I828 V865 V867 R872 V873 T878 L879 R880 I889 | I828-L876 HydrophobicContact CD1-CD2 3.96Å; I828-L876 HydrophobicContact CD1-CG 4.09Å; I828-L876 HydrophobicContact CG1-CD2 4.47Å; I828-L876 HydrophobicContact CG2-CD2 3.72Å; V865-L876 HydrophobicContact CG1-CD1 3.87Å; V865-L876 HydrophobicContact CG1-CD2 4.16Å; V867-L876 HydrophobicContact CG1-CD1 3.62Å; R872-L876 PolarHBondContact O-N 2.98Å; R872-L876 VanDerWaalsContact O-N 3.11Å; V873-L876 PolarHBondContact O-N 3.28Å; L876-T878 VanDerWaalsContact C-N 3.3Å; L876-T878 PolarHBondContact O-N 3.05Å; L876-L879 PolarHBondContact O-N 3.26Å; L876-R880 VanDerWaalsContact O-CB 3.29Å; L876-R880 WeakPolarHBondContact O-CB 3.38Å; L876-R880 PolarHBondContact O-N 3.13Å; L876-I889 HydrophobicContact CB-CD1 3.69Å; L876-I889 HydrophobicContact CD1-CG2 4.44Å |
| 877 | R | 88.4 | Confident | 86.1 | Confident | 108 Ų | 108 | 83.4 Ų | 83.4 | 41% | 0.408 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -64.4 | -35 | 174.3 | -77 | 175.6 | 174.5 | -171.9 | -4.2 | 112.4 | V873 L874 A875 I889 V912 | V873-R877 HydrophobicContact CG1-CG 4.16Å; V873-R877 WeakPolarHBondContact O-CB 3.46Å; V873-R877 VanDerWaalsContact O-CG 3.27Å; V873-R877 WeakPolarHBondContact O-CG 3.19Å; V873-R877 PolarHBondContact O-N 2.98Å; L874-R877 PolarHBondContact O-N 2.77Å; A875-R877 PolarHBondContact O-N 2.81Å; R877-I889 HydrophobicContact CG-CD1 3.81Å; R877-V912 PolarHBondContact NH2-O 2.64Å; R877-V912 PolarHBondContact NH2-OXT 2.85Å |
| 878 | T | 86.9 | Confident | 86.1 | Confident | 76 Ų | 76 | 86.4 Ų | 86.4 | 47% | 0.466 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -69.9 | -47.4 | 175.8 | -56.8 | 0 | 0 | 0 | 0 | 110.4 | L874 A875 L876 R880 R881 | L874-T878 PolarHBondContact O-N 3.27Å; L874-T878 VanDerWaalsContact O-N 3.09Å; L874-T878 PolarHBondContact O-OG1 2.85Å; A875-T878 WeakPolarHBondContact O-CB 3.24Å; A875-T878 PolarHBondContact O-N 2.94Å; A875-T878 VanDerWaalsContact O-N 3.15Å; L876-T878 VanDerWaalsContact C-N 3.3Å; L876-T878 PolarHBondContact O-N 3.05Å; T878-R880 VanDerWaalsContact C-N 3.31Å; T878-R880 PolarHBondContact O-N 3.05Å; T878-R881 VanDerWaalsContact O-CB 3.28Å; T878-R881 WeakPolarHBondContact O-CB 3.44Å; T878-R881 PolarHBondContact O-N 2.96Å |
| 879 | L | 85.4 | Confident | 86.5 | Confident | 57 Ų | 57 | 83.2 Ų | 83.2 | 30% | 0.298 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -57.8 | -42.2 | 174.5 | -111.3 | 153.2 | 0 | 0 | 0 | 112.2 | I828 A875 L876 R881 L882 F883 | I828-L879 HydrophobicContact CB-CD1 4.35Å; I828-L879 HydrophobicContact CG2-CD1 3.8Å; A875-L879 PolarHBondContact O-N 2.91Å; L876-L879 PolarHBondContact O-N 3.26Å; L879-R881 PolarHBondContact O-N 3.06Å; L879-L882 HydrophobicContact CD2-CD1 4.41Å; L879-L882 WeakPolarHBondContact O-CB 3.23Å; L879-L882 PolarHBondContact O-N 3.25Å; L879-F883 HydrophobicContact CD2-CE2 4.19Å; L879-F883 WeakPolarHBondContact O-CD2 3.3Å |
| 880 | R | 89.3 | Confident | 87.2 | Confident | 78 Ų | 78 | 77 Ų | 77 | 29% | 0.294 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -53.8 | -28.1 | 175.5 | -174.1 | 176.8 | 69.3 | 173.2 | 2.1 | 112.8 | L876 T878 L882 F883 K886 F887 | L876-R880 VanDerWaalsContact O-CB 3.29Å; L876-R880 WeakPolarHBondContact O-CB 3.38Å; L876-R880 PolarHBondContact O-N 3.13Å; T878-R880 VanDerWaalsContact C-N 3.31Å; T878-R880 PolarHBondContact O-N 3.05Å; R880-L882 PolarHBondContact O-N 3.31Å; R880-F883 PolarHBondContact O-N 3.12Å; R880-K886 HydrophobicContact CG-CB 4.14Å; R880-K886 HydrophobicContact CG-CD 4.06Å; R880-K886 WeakPolarHBondContact O-CD 3.48Å; R880-K886 PolarHBondContact O-NZ 3.49Å; R880-F887 HydrophobicContact CB-CE1 3.96Å; R880-F887 HydrophobicContact CB-CE2 4.01Å; R880-F887 HydrophobicContact CB-CZ 3.59Å; R880-F887 WeakPolarHBondContact CD-O 3.25Å; R880-F887 HydrophobicContact CG-CD1 4.35Å; R880-F887 HydrophobicContact CG-CD2 4.44Å; R880-F887 HydrophobicContact CG-CE1 4.12Å; R880-F887 HydrophobicContact CG-CE2 4.21Å; R880-F887 HydrophobicContact CG-CZ 4.05Å |
| 881 | R | 86.5 | Confident | 87.7 | Confident | 194 Ų | 194 | 78.4 Ų | 78.4 | 73% | 0.732 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -24.4 | 177.1 | -64.7 | 179.7 | 177.6 | 170.7 | -0.6 | 112.8 | T878 L879 K886 | T878-R881 VanDerWaalsContact O-CB 3.28Å; T878-R881 WeakPolarHBondContact O-CB 3.44Å; T878-R881 PolarHBondContact O-N 2.96Å; L879-R881 PolarHBondContact O-N 3.06Å; R881-K886 PolarHBondContact O-NZ 2.92Å |
| 882 | L | 85.3 | Confident | 88.2 | Confident | 147 Ų | 147 | 75 Ų | 75 | 77% | 0.77 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -15.2 | -178.5 | -56.5 | 175.5 | 0 | 0 | 0 | 114.3 | L879 R880 | L879-L882 HydrophobicContact CD2-CD1 4.41Å; L879-L882 WeakPolarHBondContact O-CB 3.23Å; L879-L882 PolarHBondContact O-N 3.25Å; R880-L882 PolarHBondContact O-N 3.31Å |
| 883 | F | 86.3 | Confident | 88.9 | Confident | 25 Ų | 25 | 72.7 Ų | 72.7 | 11% | 0.11 | 35% | 0.348 | C | S | . | . | trans | -90.1 | 143.4 | -176.4 | -70.1 | -100.7 | 0 | 0 | 0 | 112.3 | L858 E860 L879 R880 K886 F887 | L858-F883 HydrophobicContact CD2-CE2 4.33Å; L858-F883 HydrophobicContact CD2-CZ 4.23Å; L858-F883 HydrophobicContact CG-CE1 4.44Å; L858-F883 HydrophobicContact CG-CE2 4.36Å; L858-F883 HydrophobicContact CG-CZ 3.8Å; E860-F883 WeakPolarHBondContact OE2-CD1 3.33Å; L879-F883 HydrophobicContact CD2-CE2 4.19Å; L879-F883 WeakPolarHBondContact O-CD2 3.3Å; R880-F883 PolarHBondContact O-N 3.12Å; F883-K886 WeakPolarHBondContact O-CE 3.37Å; F883-K886 PolarHBondContact O-NZ 3.39Å; F883-F887 HydrophobicContact CD2-CD1 4.47Å; F883-F887 AromaticContact CD2-CE1 3.83Å; F883-F887 HydrophobicContact CD2-CE1 3.83Å; F883-F887 AromaticContact CE2-CE1 3.95Å; F883-F887 HydrophobicContact CE2-CE1 3.95Å; F883-F887 HydrophobicContact CG-CD1 4.45Å; F883-F887 HydrophobicContact CG-CE1 4.24Å; F883-F887 HydrophobicContact CZ-CE1 4.45Å | ||
| 884 | T | 85.4 | Confident | 89.3 | Confident | 129 Ų | 129 | 72.4 Ų | 72.4 | 79% | 0.791 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -69.3 | -43.9 | 176.4 | 18.1 | 0 | 0 | 0 | 0 | 111.5 | E860 | E860-T884 WeakPolarHBondContact OE1-CB 3.36Å; E860-T884 PolarHBondContact OE1-N 3.18Å; E860-T884 PolarHBondContact OE1-OG1 3.33Å; E860-T884 PolarHBondContact OE2-N 3.18Å; E860-T884 PolarHBondContact OE2-OG1 3.26Å |
| 885 | K | 85.7 | Confident | 89.6 | Confident | 155 Ų | 155 | 66 Ų | 66 | 67% | 0.674 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -102.4 | 119.3 | 170.9 | -166.5 | 174.3 | -177.3 | 179.8 | 0 | 110 | E860 F887 | E860-K885 PolarHBondContact OE1-N 3.26Å; K885-F887 PolarHBondContact O-N 3.2Å |
| 886 | K | 90.8 | Very high | 90 | Very high | 108 Ų | 108 | 65.2 Ų | 65.2 | 47% | 0.47 | 30% | 0.303 | S | S | . | . | P | Polyproline II helix | trans | -75.1 | 125.9 | -176.5 | -52.7 | -51.8 | -172.8 | -171.3 | 0 | 110.4 | R880 R881 F883 | R880-K886 HydrophobicContact CG-CB 4.14Å; R880-K886 HydrophobicContact CG-CD 4.06Å; R880-K886 WeakPolarHBondContact O-CD 3.48Å; R880-K886 PolarHBondContact O-NZ 3.49Å; R881-K886 PolarHBondContact O-NZ 2.92Å; F883-K886 WeakPolarHBondContact O-CE 3.37Å; F883-K886 PolarHBondContact O-NZ 3.39Å |
| 887 | F | 92.1 | Very high | 90.2 | Very high | 4 Ų | 4 | 69.4 Ų | 69.4 | 2% | 0.018 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -79.4 | 152.4 | 170.4 | 56.7 | -99.3 | 0 | 0 | 0 | 111.5 | L858 V862 S863 V865 R880 F883 K885 I889 | L858-F887 HydrophobicContact CD1-CD1 4.23Å; L858-F887 HydrophobicContact CD1-CE1 4.01Å; L858-F887 HydrophobicContact CD1-CZ 4.31Å; L858-F887 HydrophobicContact CD2-CE1 3.92Å; L858-F887 HydrophobicContact CD2-CZ 3.85Å; L858-F887 HydrophobicContact CG-CE1 4.18Å; V862-F887 HydrophobicContact CG1-CB 4.42Å; V862-F887 WeakPolarHBondContact O-CB 3.33Å; S863-F887 WeakPolarHBondContact O-CA 3.21Å; S863-F887 WeakPolarHBondContact O-CB 3.34Å; V865-F887 HydrophobicContact CB-CD2 3.99Å; V865-F887 HydrophobicContact CB-CE2 4.07Å; V865-F887 HydrophobicContact CG2-CD2 3.33Å; V865-F887 HydrophobicContact CG2-CE2 3.38Å; V865-F887 HydrophobicContact CG2-CG 3.97Å; V865-F887 HydrophobicContact CG2-CZ 4.04Å; R880-F887 HydrophobicContact CB-CE1 3.96Å; R880-F887 HydrophobicContact CB-CE2 4.01Å; R880-F887 HydrophobicContact CB-CZ 3.59Å; R880-F887 WeakPolarHBondContact CD-O 3.25Å; R880-F887 HydrophobicContact CG-CD1 4.35Å; R880-F887 HydrophobicContact CG-CD2 4.44Å; R880-F887 HydrophobicContact CG-CE1 4.12Å; R880-F887 HydrophobicContact CG-CE2 4.21Å; R880-F887 HydrophobicContact CG-CZ 4.05Å; F883-F887 HydrophobicContact CD2-CD1 4.47Å; F883-F887 AromaticContact CD2-CE1 3.83Å; F883-F887 HydrophobicContact CD2-CE1 3.83Å; F883-F887 AromaticContact CE2-CE1 3.95Å; F883-F887 HydrophobicContact CE2-CE1 3.95Å; F883-F887 HydrophobicContact CG-CD1 4.45Å; F883-F887 HydrophobicContact CG-CE1 4.24Å; F883-F887 HydrophobicContact CZ-CE1 4.45Å; K885-F887 PolarHBondContact O-N 3.2Å; F887-I889 HydrophobicContact CD2-CG1 4.08Å; F887-I889 HydrophobicContact CE2-CD1 4.26Å; F887-I889 HydrophobicContact CE2-CG1 3.86Å |
| 888 | K | 93.4 | Very high | 90.3 | Very high | 64 Ų | 64 | 64.2 Ų | 64.2 | 28% | 0.278 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 147.1 | 170.9 | -74.4 | -178.7 | 176.3 | -169.2 | 0 | 110 | S863 H864 V865 V890 D907 N908 L911 | S863-K888 PolarHBondContact O-N 3Å; H864-K888 CarbonylContact C-O 3.43Å; H864-K888 VanDerWaalsContact CA-O 3.26Å; H864-K888 WeakPolarHBondContact CA-O 3.33Å; V865-K888 PolarHBondContact N-O 2.92Å; K888-V890 HydrophobicContact CB-CG1 4.46Å; K888-D907 WeakPolarHBondContact CD-OD2 3.04Å; K888-D907 WeakPolarHBondContact CE-OD2 3.29Å; K888-D907 IonicContact NZ-OD1 3.43Å; K888-D907 PolarHBondContact NZ-OD1 3.03Å; K888-D907 IonicContact NZ-OD2 3.98Å; K888-D907 PolarHBondContact NZ-OD2 3.06Å; K888-N908 PolarHBondContact NZ-OD1 2.82Å; K888-L911 HydrophobicContact CB-CD2 3.76Å; K888-L911 HydrophobicContact CD-CD2 4.09Å; K888-L911 HydrophobicContact CG-CD2 3.94Å |
| 889 | I | 93.5 | Very high | 90.5 | Very high | 1 Ų | 1 | 62.7 Ų | 62.7 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 118.8 | 174.1 | -52.4 | 171.3 | 0 | 0 | 0 | 105.9 | V865 V867 V873 L876 R877 F887 L911 V912 | V865-I889 HydrophobicContact CB-CG1 4.48Å; V865-I889 WeakPolarHBondContact O-CA 3.02Å; V867-I889 HydrophobicContact CG1-CG2 4.01Å; V867-I889 HydrophobicContact CG2-CG2 4.18Å; V873-I889 HydrophobicContact CG2-CG2 4.48Å; L876-I889 HydrophobicContact CB-CD1 3.69Å; L876-I889 HydrophobicContact CD1-CG2 4.44Å; R877-I889 HydrophobicContact CG-CD1 3.81Å; F887-I889 HydrophobicContact CD2-CG1 4.08Å; F887-I889 HydrophobicContact CE2-CD1 4.26Å; F887-I889 HydrophobicContact CE2-CG1 3.86Å; I889-L911 WeakPolarHBondContact O-CA 3.02Å; I889-L911 WeakPolarHBondContact O-CD2 3.45Å; I889-V912 HydrophobicContact CG2-CG2 4.01Å; I889-V912 PolarHBondContact O-N 3.16Å |
| 890 | V | 94.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 151.6 | -173.3 | -63.7 | 0 | 0 | 0 | 0 | 111.3 | H864 V865 I866 V867 K888 W894 Y910 L911 | H864-V890 HydrophobicContact CB-CG2 4.34Å; V865-V890 PolarHBondContact O-N 2.84Å; I866-V890 WeakPolarHBondContact CA-O 3.42Å; I866-V890 HydrophobicContact CG1-CG2 3.83Å; V867-V890 PolarHBondContact N-O 3.46Å; K888-V890 HydrophobicContact CB-CG1 4.46Å; V890-W894 HydrophobicContact CG2-CD2 4.43Å; V890-W894 HydrophobicContact CG2-CE3 3.84Å; V890-W894 HydrophobicContact CG2-CZ3 4.46Å; V890-Y910 CarbonylContact C-O 2.99Å; V890-Y910 WeakPolarHBondContact CA-O 3.45Å; V890-L911 HydrophobicContact CG1-CD2 3.86Å; V890-L911 HydrophobicContact CG1-CG 4.45Å |
| 891 | R | 93.1 | Very high | 90.7 | Very high | 122 Ų | 122 | 62.8 Ų | 62.8 | 46% | 0.46 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 150.9 | 172.3 | -63.9 | -176.8 | -179.6 | 164.4 | 2.7 | 110.9 | V867 E870 S893 W894 Y910 V912 | V867-R891 CarbonylContact O-C 3.58Å; V867-R891 WeakPolarHBondContact O-CA 3.24Å; E870-R891 IonicContact OE1-CZ 3.87Å; E870-R891 IonicContact OE1-NE 2.87Å; E870-R891 PolarHBondContact OE1-NE 3.43Å; E870-R891 IonicContact OE1-NH2 3.14Å; E870-R891 PolarHBondContact OE1-NH2 2.95Å; R891-S893 PolarHBondContact O-N 3.09Å; R891-S893 VanDerWaalsContact O-N 3.16Å; R891-W894 WeakPolarHBondContact O-CB 3.08Å; R891-W894 PolarHBondContact O-N 2.76Å; R891-W894 VanDerWaalsContact O-N 3.16Å; R891-Y910 PolarHBondContact N-O 3.12Å; R891-V912 HydrophobicContact CG-CG1 3.58Å; R891-V912 HydrophobicContact CG-CG2 4.15Å; R891-V912 VanDerWaalsContact NE-CG1 3.29Å |
| 892 | E | 92.7 | Very high | 90.5 | Very high | 44 Ų | 44 | 55.3 Ų | 55.3 | 21% | 0.206 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -27.1 | 178.2 | 71.9 | 81.2 | -161.5 | 0 | 0 | 113.8 | L840 R843 I866 V867 V868 W894 V895 T896 | L840-E892 HydrophobicContact CD2-CB 3.99Å; R843-E892 VanDerWaalsContact CD-OE2 3.23Å; R843-E892 WeakPolarHBondContact CD-OE2 3.18Å; R843-E892 HydrophobicContact CG-CB 4.43Å; R843-E892 IonicContact NH1-OE2 2.64Å; I866-E892 HydrophobicContact CG2-CB 3.91Å; V867-E892 PolarHBondContact O-N 3.16Å; V868-E892 HydrophobicContact CG2-CG 4.42Å; E892-W894 PolarHBondContact O-N 3.2Å; E892-W894 VanDerWaalsContact O-N 3.11Å; E892-V895 WeakPolarHBondContact O-CB 3.45Å; E892-V895 PolarHBondContact O-N 3.22Å; E892-T896 VanDerWaalsContact OE2-CG2 3.25Å; E892-T896 WeakPolarHBondContact OE2-CG2 3.39Å |
| 893 | S | 92.4 | Very high | 90.6 | Very high | 24 Ų | 24 | 53.8 Ų | 53.8 | 17% | 0.168 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.6 | -21.8 | 178.2 | 62.7 | 0 | 0 | 0 | 0 | 114.1 | R891 V895 T896 E897 Y910 | R891-S893 PolarHBondContact O-N 3.09Å; R891-S893 VanDerWaalsContact O-N 3.16Å; S893-V895 PolarHBondContact O-N 3.16Å; S893-T896 WeakPolarHBondContact CA-OG1 3.21Å; S893-T896 PolarHBondContact O-N 2.9Å; S893-T896 PolarHBondContact O-OG1 3.11Å; S893-T896 VanDerWaalsContact O-OG1 3.08Å; S893-E897 VanDerWaalsContact O-CB 3.3Å; S893-E897 WeakPolarHBondContact O-CB 3.37Å; S893-E897 WeakPolarHBondContact O-CG 3.42Å; S893-E897 PolarHBondContact O-N 2.9Å; S893-Y910 WeakPolarHBondContact OG-CD1 3.27Å |
| 894 | W | 94.4 | Very high | 90.6 | Very high | 1 Ų | 1 | 55.6 Ų | 55.6 | 0% | 0.004 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58 | -39.1 | 171.5 | 178.1 | 55.5 | 0 | 0 | 0 | 112.2 | F815 F818 F847 H864 V890 R891 E892 S898 L904 R905 D907 Y910 | F815-W894 HydrophobicContact CD1-CH2 4.41Å; F815-W894 HydrophobicContact CE1-CH2 4.34Å; F815-W894 HydrophobicContact CE1-CZ2 4.38Å; F818-W894 HydrophobicContact CD1-CH2 4.32Å; F818-W894 HydrophobicContact CD2-CH2 4.43Å; F818-W894 HydrophobicContact CG-CH2 4.27Å; F847-W894 HydrophobicContact CE2-CH2 4.48Å; F847-W894 AromaticContact CE2-CZ3 3.98Å; F847-W894 HydrophobicContact CE2-CZ3 3.98Å; F847-W894 HydrophobicContact CZ-CZ3 4.46Å; H864-W894 HydrophobicContact CB-CZ3 4.48Å; V890-W894 HydrophobicContact CG2-CD2 4.43Å; V890-W894 HydrophobicContact CG2-CE3 3.84Å; V890-W894 HydrophobicContact CG2-CZ3 4.46Å; R891-W894 WeakPolarHBondContact O-CB 3.08Å; R891-W894 PolarHBondContact O-N 2.76Å; R891-W894 VanDerWaalsContact O-N 3.16Å; E892-W894 PolarHBondContact O-N 3.2Å; E892-W894 VanDerWaalsContact O-N 3.11Å; W894-S898 VanDerWaalsContact O-CB 3.22Å; W894-S898 WeakPolarHBondContact O-CB 3.35Å; W894-S898 PolarHBondContact O-N 2.93Å; W894-S898 PolarHBondContact O-OG 2.93Å; W894-L904 HydrophobicContact CH2-CD1 4.42Å; W894-L904 HydrophobicContact CZ2-CD1 3.7Å; W894-L904 HydrophobicContact CZ2-CG 4.41Å; W894-R905 PolarHBondContact NE1-O 3.11Å; W894-D907 HydrophobicContact CZ2-CB 3.95Å; W894-Y910 HydrophobicContact CB-CD1 4.05Å; W894-Y910 HydrophobicContact CB-CD2 3.99Å; W894-Y910 HydrophobicContact CB-CG 3.66Å; W894-Y910 AromaticContact CD1-CD2 3.53Å; W894-Y910 AromaticContact CD1-CE2 3.89Å; W894-Y910 HydrophobicContact CG-CD2 4.09Å; W894-Y910 HydrophobicContact CG-CG 4.24Å |
| 895 | V | 91.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -70.3 | -47.2 | 178.8 | 179.2 | 0 | 0 | 0 | 0 | 110 | F815 F847 I866 E892 S893 I899 | F815-V895 HydrophobicContact CE2-CG1 4.09Å; F815-V895 HydrophobicContact CZ-CB 4.44Å; F815-V895 HydrophobicContact CZ-CG1 4.15Å; F847-V895 HydrophobicContact CB-CG1 4.29Å; F847-V895 HydrophobicContact CD2-CB 4.47Å; F847-V895 HydrophobicContact CD2-CG1 3.97Å; F847-V895 HydrophobicContact CD2-CG2 3.7Å; F847-V895 HydrophobicContact CE2-CG2 4.17Å; I866-V895 HydrophobicContact CD1-CG2 3.67Å; E892-V895 WeakPolarHBondContact O-CB 3.45Å; E892-V895 PolarHBondContact O-N 3.22Å; S893-V895 PolarHBondContact O-N 3.16Å; V895-I899 HydrophobicContact CG1-CD1 3.82Å; V895-I899 WeakPolarHBondContact O-CD1 3.45Å; V895-I899 VanDerWaalsContact O-CG1 3.23Å; V895-I899 WeakPolarHBondContact O-CG1 3.37Å; V895-I899 PolarHBondContact O-N 3.45Å |
| 896 | T | 93.3 | Very high | 91 | Very high | 33 Ų | 33 | 51.1 Ų | 51.1 | 20% | 0.202 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -69.9 | -42.8 | -172.8 | 64.6 | 0 | 0 | 0 | 0 | 112.1 | R843 E892 S893 I899 S900 | R843-T896 VanDerWaalsContact CZ-CG2 3.45Å; E892-T896 VanDerWaalsContact OE2-CG2 3.25Å; E892-T896 WeakPolarHBondContact OE2-CG2 3.39Å; S893-T896 WeakPolarHBondContact CA-OG1 3.21Å; S893-T896 PolarHBondContact O-N 2.9Å; S893-T896 PolarHBondContact O-OG1 3.11Å; S893-T896 VanDerWaalsContact O-OG1 3.08Å; T896-I899 PolarHBondContact O-N 3.15Å; T896-S900 WeakPolarHBondContact O-CB 3.49Å; T896-S900 PolarHBondContact O-N 3.09Å |
| 897 | E | 93.3 | Very high | 90.9 | Very high | 87 Ų | 87 | 47.2 Ų | 47.2 | 41% | 0.407 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -74.3 | -29.2 | -179.4 | -67.7 | 179.2 | -144.4 | 0 | 0 | 112.1 | S893 A901 Y910 | S893-E897 VanDerWaalsContact O-CB 3.3Å; S893-E897 WeakPolarHBondContact O-CB 3.37Å; S893-E897 WeakPolarHBondContact O-CG 3.42Å; S893-E897 PolarHBondContact O-N 2.9Å; E897-A901 WeakPolarHBondContact O-CB 3.34Å; E897-A901 PolarHBondContact O-N 3.44Å; E897-Y910 WeakPolarHBondContact OE2-CE1 3.42Å; E897-Y910 PolarHBondContact OE2-OH 3.12Å |
| 898 | S | 91.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67.9 | -42.7 | 169.8 | -61.8 | 0 | 0 | 0 | 0 | 111.7 | W894 A901 G902 F903 R905 | W894-S898 VanDerWaalsContact O-CB 3.22Å; W894-S898 WeakPolarHBondContact O-CB 3.35Å; W894-S898 PolarHBondContact O-N 2.93Å; W894-S898 PolarHBondContact O-OG 2.93Å; S898-A901 PolarHBondContact O-N 3.38Å; S898-G902 PolarHBondContact O-N 3.39Å; S898-G902 VanDerWaalsContact O-N 3.12Å; S898-F903 CarbonylContact C-O 3.14Å; S898-F903 WeakPolarHBondContact CA-O 3.39Å; S898-F903 PolarHBondContact O-N 2.91Å; S898-R905 WeakPolarHBondContact OG-CB 3.31Å; S898-R905 PolarHBondContact OG-N 3.46Å |
| 899 | I | 91.3 | Very high | 90.7 | Very high | 43 Ų | 43 | 53.8 Ų | 53.8 | 22% | 0.221 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.4 | -47.2 | 175.9 | -67.1 | 166.8 | 0 | 0 | 0 | 110.8 | M814 F815 E846 V895 T896 A901 G902 | M814-I899 HydrophobicContact CE-CB 4.07Å; M814-I899 HydrophobicContact CE-CG1 3.41Å; M814-I899 VanDerWaalsContact CE-CG1 3.41Å; F815-I899 HydrophobicContact CE2-CD1 4.28Å; F815-I899 HydrophobicContact CE2-CG1 3.9Å; E846-I899 HydrophobicContact CB-CD1 3.69Å; E846-I899 HydrophobicContact CG-CD1 4.43Å; V895-I899 HydrophobicContact CG1-CD1 3.82Å; V895-I899 WeakPolarHBondContact O-CD1 3.45Å; V895-I899 VanDerWaalsContact O-CG1 3.23Å; V895-I899 WeakPolarHBondContact O-CG1 3.37Å; V895-I899 PolarHBondContact O-N 3.45Å; T896-I899 PolarHBondContact O-N 3.15Å; I899-A901 PolarHBondContact O-N 3.49Å; I899-G902 PolarHBondContact O-N 2.85Å; I899-G902 VanDerWaalsContact O-N 3.1Å |
| 900 | S | 90.8 | Very high | 90.6 | Very high | 110 Ų | 110 | 55.1 Ų | 55.1 | 77% | 0.769 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -64 | -31.1 | 179.4 | -174.5 | 0 | 0 | 0 | 0 | 112.7 | T896 G902 | T896-S900 WeakPolarHBondContact O-CB 3.49Å; T896-S900 PolarHBondContact O-N 3.09Å; S900-G902 VanDerWaalsContact C-N 3.32Å |
| 901 | A | 86.6 | Confident | 90.3 | Very high | 28 Ų | 28 | 58.8 Ų | 58.8 | 23% | 0.231 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -78.7 | -17.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | E897 S898 I899 F903 | E897-A901 WeakPolarHBondContact O-CB 3.34Å; E897-A901 PolarHBondContact O-N 3.44Å; S898-A901 PolarHBondContact O-N 3.38Å; I899-A901 PolarHBondContact O-N 3.49Å; A901-F903 HydrophobicContact CB-CD1 4.02Å; A901-F903 HydrophobicContact CB-CE1 3.83Å; A901-F903 HydrophobicContact CB-CZ 4.19Å; A901-F903 WeakPolarHBondContact O-CD1 3.35Å; A901-F903 PolarHBondContact O-N 2.63Å |
| 902 | G | 83.5 | Confident | 89.8 | Confident | 37 Ų | 37 | 54.2 Ų | 54.2 | 38% | 0.381 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.1 | 3.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | S898 I899 S900 | S898-G902 PolarHBondContact O-N 3.39Å; S898-G902 VanDerWaalsContact O-N 3.12Å; I899-G902 PolarHBondContact O-N 2.85Å; I899-G902 VanDerWaalsContact O-N 3.1Å; S900-G902 VanDerWaalsContact C-N 3.32Å |
| 903 | F | 85.9 | Confident | 89.7 | Confident | 115 Ų | 115 | 54.8 Ų | 54.8 | 50% | 0.504 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -148.6 | 159.8 | 177.2 | 65.5 | -91.9 | 0 | 0 | 0 | 111.3 | S898 A901 R905 | S898-F903 CarbonylContact C-O 3.14Å; S898-F903 WeakPolarHBondContact CA-O 3.39Å; S898-F903 PolarHBondContact O-N 2.91Å; A901-F903 HydrophobicContact CB-CD1 4.02Å; A901-F903 HydrophobicContact CB-CE1 3.83Å; A901-F903 HydrophobicContact CB-CZ 4.19Å; A901-F903 WeakPolarHBondContact O-CD1 3.35Å; A901-F903 PolarHBondContact O-N 2.63Å; F903-R905 PolarHBondContact O-N 3.36Å |
| 904 | L | 87.3 | Confident | 89.5 | Confident | 62 Ų | 62 | 56.4 Ų | 56.4 | 33% | 0.325 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -66.5 | 119.9 | -177.6 | -170.2 | 74.1 | 0 | 0 | 0 | 112 | M814 F815 F818 W894 | M814-L904 HydrophobicContact CB-CB 4.49Å; F815-L904 HydrophobicContact CD1-CD1 3.46Å; F815-L904 VanDerWaalsContact CD1-CD1 3.46Å; F815-L904 HydrophobicContact CE1-CD1 3.31Å; F815-L904 HydrophobicContact CZ-CD1 4.37Å; F818-L904 HydrophobicContact CE2-CD1 4.02Å; F818-L904 HydrophobicContact CE2-CD2 3.39Å; F818-L904 HydrophobicContact CE2-CG 4.36Å; F818-L904 HydrophobicContact CZ-CD2 3.52Å; W894-L904 HydrophobicContact CH2-CD1 4.42Å; W894-L904 HydrophobicContact CZ2-CD1 3.7Å; W894-L904 HydrophobicContact CZ2-CG 4.41Å |
| 905 | R | 90 | Very high | 89.3 | Confident | 101 Ų | 101 | 59.4 Ų | 59.4 | 38% | 0.381 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -77 | 153.4 | 172.9 | -65.9 | -68.4 | -171.9 | 172.2 | 1 | 111.3 | W894 S898 F903 D907 Y910 | W894-R905 PolarHBondContact NE1-O 3.11Å; S898-R905 WeakPolarHBondContact OG-CB 3.31Å; S898-R905 PolarHBondContact OG-N 3.46Å; F903-R905 PolarHBondContact O-N 3.36Å; R905-D907 PolarHBondContact O-N 3.18Å; R905-Y910 HydrophobicContact CB-CE2 3.94Å |
| 906 | N | 89.4 | Confident | 89.1 | Confident | 89 Ų | 89 | 62.9 Ų | 62.9 | 48% | 0.476 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -62.3 | 118.8 | 176.9 | -171.7 | -20 | 0 | 0 | 0 | 109.8 | N908 D909 Y910 | N906-N908 PolarHBondContact O-N 2.73Å; N906-N908 WeakPolarHBondContact OD1-CB 3.38Å; N906-N908 PolarHBondContact OD1-N 3.47Å; N906-N908 PolarHBondContact OD1-ND2 2.95Å; N906-D909 PolarHBondContact O-N 2.99Å; N906-Y910 VanDerWaalsContact O-CD2 3.29Å; N906-Y910 WeakPolarHBondContact O-CD2 3.49Å; N906-Y910 WeakPolarHBondContact O-CE2 3.28Å |
| 907 | D | 89.6 | Confident | 88.9 | Confident | 26 Ų | 26 | 64.8 Ų | 64.8 | 14% | 0.139 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -66 | -23.1 | -174.7 | 60.9 | -4.3 | 0 | 0 | 0 | 113.2 | H864 K888 W894 R905 D909 Y910 | H864-D907 IonicContact CE1-OD2 3.64Å; H864-D907 IonicContact NE2-OD2 3.16Å; H864-D907 PolarHBondContact NE2-OD2 3.31Å; K888-D907 WeakPolarHBondContact CD-OD2 3.04Å; K888-D907 WeakPolarHBondContact CE-OD2 3.29Å; K888-D907 IonicContact NZ-OD1 3.43Å; K888-D907 PolarHBondContact NZ-OD1 3.03Å; K888-D907 IonicContact NZ-OD2 3.98Å; K888-D907 PolarHBondContact NZ-OD2 3.06Å; W894-D907 HydrophobicContact CZ2-CB 3.95Å; R905-D907 PolarHBondContact O-N 3.18Å; D907-D909 PolarHBondContact O-N 2.9Å; D907-Y910 PolarHBondContact O-N 3.29Å |
| 908 | N | 89.3 | Confident | 88.6 | Confident | 82 Ų | 82 | 63.3 Ų | 63.3 | 44% | 0.439 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -66 | -27.9 | -178.7 | -61.4 | -52.6 | 0 | 0 | 0 | 112.9 | K888 N906 Y910 L911 | K888-N908 PolarHBondContact NZ-OD1 2.82Å; N906-N908 PolarHBondContact O-N 2.73Å; N906-N908 WeakPolarHBondContact OD1-CB 3.38Å; N906-N908 PolarHBondContact OD1-N 3.47Å; N906-N908 PolarHBondContact OD1-ND2 2.95Å; N908-Y910 PolarHBondContact O-N 3.3Å; N908-L911 HydrophobicContact CB-CD1 4.21Å; N908-L911 PolarHBondContact O-N 2.74Å |
| 909 | D | 90.4 | Very high | 88.4 | Confident | 125 Ų | 125 | 67.9 Ų | 67.9 | 67% | 0.668 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -72.3 | -12.2 | -179.9 | -58.9 | -31 | 0 | 0 | 0 | 112.2 | N906 D907 | N906-D909 PolarHBondContact O-N 2.99Å; D907-D909 PolarHBondContact O-N 2.9Å |
| 910 | Y | 91.3 | Very high | 88.1 | Confident | 28 Ų | 28 | 69.8 Ų | 69.8 | 11% | 0.11 | 38% | 0.384 | C | S | . | . | G | 310 helix | trans | -118.2 | 7.6 | -175.5 | -55.7 | -91.7 | 0 | 0 | 0 | 113.1 | V890 R891 S893 W894 E897 R905 N906 D907 N908 | V890-Y910 CarbonylContact C-O 2.99Å; V890-Y910 WeakPolarHBondContact CA-O 3.45Å; R891-Y910 PolarHBondContact N-O 3.12Å; S893-Y910 WeakPolarHBondContact OG-CD1 3.27Å; W894-Y910 HydrophobicContact CB-CD1 4.05Å; W894-Y910 HydrophobicContact CB-CD2 3.99Å; W894-Y910 HydrophobicContact CB-CG 3.66Å; W894-Y910 AromaticContact CD1-CD2 3.53Å; W894-Y910 AromaticContact CD1-CE2 3.89Å; W894-Y910 HydrophobicContact CG-CD2 4.09Å; W894-Y910 HydrophobicContact CG-CG 4.24Å; E897-Y910 WeakPolarHBondContact OE2-CE1 3.42Å; E897-Y910 PolarHBondContact OE2-OH 3.12Å; R905-Y910 HydrophobicContact CB-CE2 3.94Å; N906-Y910 VanDerWaalsContact O-CD2 3.29Å; N906-Y910 WeakPolarHBondContact O-CD2 3.49Å; N906-Y910 WeakPolarHBondContact O-CE2 3.28Å; D907-Y910 PolarHBondContact O-N 3.29Å; N908-Y910 PolarHBondContact O-N 3.3Å |
| 911 | L | 89.7 | Confident | 87.9 | Confident | 77 Ų | 77 | 66.4 Ų | 66.4 | 40% | 0.403 | 35% | 0.352 | S | S | . | . | B | Isolated β-bridge | trans | -67.1 | 141.7 | 178.9 | -75.3 | 171.9 | 0 | 0 | 0 | 112.2 | K888 I889 V890 N908 | K888-L911 HydrophobicContact CB-CD2 3.76Å; K888-L911 HydrophobicContact CD-CD2 4.09Å; K888-L911 HydrophobicContact CG-CD2 3.94Å; I889-L911 WeakPolarHBondContact O-CA 3.02Å; I889-L911 WeakPolarHBondContact O-CD2 3.45Å; V890-L911 HydrophobicContact CG1-CD2 3.86Å; V890-L911 HydrophobicContact CG1-CG 4.45Å; N908-L911 HydrophobicContact CB-CD1 4.21Å; N908-L911 PolarHBondContact O-N 2.74Å |
| 912 | V | 82.1 | Confident | 88 | Confident | 27 Ų | 27 | 69.9 Ų | 69.9 | 16% | 0.164 | 36% | 0.363 | C | S | . | . | trans | -129.5 | 0 | 179.3 | -83.6 | 0 | 0 | 0 | 0 | 115.9 | V867 E870 V873 R877 I889 R891 | V867-V912 HydrophobicContact CG2-CG2 3.78Å; E870-V912 VanDerWaalsContact CD-CG1 3.46Å; E870-V912 HydrophobicContact CG-CB 4.1Å; E870-V912 HydrophobicContact CG-CG1 3.84Å; E870-V912 WeakPolarHBondContact OE1-CG1 3.41Å; V873-V912 HydrophobicContact CG2-CB 4.39Å; V873-V912 HydrophobicContact CG2-CG2 4.32Å; R877-V912 PolarHBondContact NH2-O 2.64Å; R877-V912 PolarHBondContact NH2-OXT 2.85Å; I889-V912 HydrophobicContact CG2-CG2 4.01Å; I889-V912 PolarHBondContact O-N 3.16Å; R891-V912 HydrophobicContact CG-CG1 3.58Å; R891-V912 HydrophobicContact CG-CG2 4.15Å; R891-V912 VanDerWaalsContact NE-CG1 3.29Å |
Retrieved 912 of 912 residues in 2367.7 ms
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