| 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 | 36.3 | Very low | 59.9 | Low | 238 Ų | 238 | 128.9 Ų | 128.9 | 100% | 1.172 | 68% | 0.68 | S | S | * | * | 0 | 68.3 | 0 | -152.9 | -174.4 | -38.2 | 0 | 0 | 107 | |||||
| 2 | I | 38.8 | Very low | 62.4 | Low | 166 Ų | 166 | 126.3 Ų | 126.3 | 85% | 0.851 | 66% | 0.661 | S | S | * | * | trans | -114.5 | 39.4 | -177 | -54.3 | 168.1 | 0 | 0 | 0 | 107.8 | ||||
| 3 | E | 41.7 | Very low | 64.7 | Low | 188 Ų | 188 | 118.3 Ų | 118.3 | 88% | 0.879 | 62% | 0.619 | S | S | * | * | trans | -126.2 | 58.9 | 179.5 | -76.6 | -175.8 | 162.7 | 0 | 0 | 108.9 | ||||
| 4 | T | 43.2 | Very low | 66.6 | Low | 130 Ų | 130 | 111.8 Ų | 111.8 | 80% | 0.798 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -102 | 91.9 | 153.1 | 44.1 | 0 | 0 | 0 | 0 | 105.9 | V6 | T4-V6 PolarHBondContact O-N 3.06Š|
| 5 | L | 43.4 | Very low | 68.4 | Low | 166 Ų | 166 | 115.3 Ų | 115.3 | 87% | 0.869 | 59% | 0.589 | S | S | * | * | trans | 9.6 | 87.1 | 157.6 | -68.5 | 151.5 | 0 | 0 | 0 | 113 | T7 | L5-T7 VanDerWaalsContact C-N 3.34Å; L5-T7 PolarHBondContact O-N 3Å | ||
| 6 | V | 56.8 | Low | 70 | Confident | 74 Ų | 74 | 113.1 Ų | 113.1 | 45% | 0.448 | 58% | 0.576 | S | S | . | * | trans | -55.6 | 108.3 | 164 | -175.9 | 0 | 0 | 0 | 0 | 104.3 | T4 A10 Q11 L14 | T4-V6 PolarHBondContact O-N 3.06Å; V6-A10 HydrophobicContact CG1-CB 3.37Å; V6-Q11 HydrophobicContact CB-CG 3.97Å; V6-Q11 HydrophobicContact CG1-CB 4.4Å; V6-Q11 HydrophobicContact CG1-CG 3.46Å; V6-Q11 VanDerWaalsContact CG1-CG 3.46Å; V6-L14 HydrophobicContact CG1-CD1 4.36Å | ||
| 7 | T | 69.9 | Low | 71.4 | Confident | 76 Ų | 76 | 106.5 Ų | 106.5 | 47% | 0.466 | 54% | 0.542 | S | S | . | . | trans | -52.2 | 151.5 | 179.5 | 53.8 | 0 | 0 | 0 | 0 | 108.2 | L5 E9 A10 Q11 | L5-T7 VanDerWaalsContact C-N 3.34Å; L5-T7 PolarHBondContact O-N 3Å; T7-E9 PolarHBondContact O-N 3.02Å; T7-A10 PolarHBondContact O-N 2.89Å; T7-A10 WeakPolarHBondContact OG1-CB 3.49Å; T7-A10 PolarHBondContact OG1-N 3.32Å; T7-Q11 PolarHBondContact O-N 3Å | ||
| 8 | T | 78.5 | Confident | 72.7 | Confident | 123 Ų | 123 | 103.4 Ų | 103.4 | 76% | 0.755 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -52.3 | -30 | 175.7 | 41.9 | 0 | 0 | 0 | 0 | 112 | E12 | T8-E12 PolarHBondContact O-N 3.06Å |
| 9 | E | 81.3 | Confident | 73.8 | Confident | 132 Ų | 132 | 99.6 Ų | 99.6 | 62% | 0.617 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -68 | -49 | 174.4 | -162.2 | 170.8 | -172 | 0 | 0 | 112.8 | T7 Q11 E12 L13 E167 | T7-E9 PolarHBondContact O-N 3.02Å; E9-Q11 VanDerWaalsContact C-N 3.27Å; E9-Q11 PolarHBondContact O-N 2.84Å; E9-E12 WeakPolarHBondContact O-CB 3.5Å; E9-E12 PolarHBondContact O-N 3.41Å; E9-E12 VanDerWaalsContact O-N 3.15Å; E9-L13 WeakPolarHBondContact O-CG 3.29Å; E9-L13 PolarHBondContact O-N 3.24Å; E9-E167 WeakPolarHBondContact CG-OE1 3.46Å |
| 10 | A | 83.3 | Confident | 74.8 | Confident | 11 Ų | 11 | 96.1 Ų | 96.1 | 9% | 0.091 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -59.9 | -36.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | V6 T7 L13 L14 E167 | V6-A10 HydrophobicContact CG1-CB 3.37Å; T7-A10 PolarHBondContact O-N 2.89Å; T7-A10 WeakPolarHBondContact OG1-CB 3.49Å; T7-A10 PolarHBondContact OG1-N 3.32Å; A10-L13 PolarHBondContact O-N 3.38Å; A10-L14 WeakPolarHBondContact O-CB 3.29Å; A10-L14 VanDerWaalsContact O-CG 3.29Å; A10-L14 WeakPolarHBondContact O-CG 3.5Å; A10-L14 PolarHBondContact O-N 2.77Å; A10-E167 VanDerWaalsContact CB-OE2 3.23Å; A10-E167 WeakPolarHBondContact CB-OE2 3.38Å |
| 11 | Q | 86 | Confident | 75.7 | Confident | 114 Ų | 114 | 93 Ų | 93 | 53% | 0.533 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.1 | -42.8 | 176.4 | -66.2 | -176.1 | -19.6 | 0 | 0 | 111.7 | V6 T7 E9 L14 Y15 | V6-Q11 HydrophobicContact CB-CG 3.97Å; V6-Q11 HydrophobicContact CG1-CB 4.4Å; V6-Q11 HydrophobicContact CG1-CG 3.46Å; V6-Q11 VanDerWaalsContact CG1-CG 3.46Å; T7-Q11 PolarHBondContact O-N 3Å; E9-Q11 VanDerWaalsContact C-N 3.27Å; E9-Q11 PolarHBondContact O-N 2.84Å; Q11-L14 PolarHBondContact O-N 3.09Å; Q11-Y15 PolarHBondContact O-N 3.22Å |
| 12 | E | 90.1 | Very high | 78.4 | Confident | 98 Ų | 98 | 88.5 Ų | 88.5 | 46% | 0.458 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -63.3 | -44 | 176.3 | -179.3 | 58.1 | -151.8 | 0 | 0 | 111.1 | T8 E9 L14 Y15 Q16 | T8-E12 PolarHBondContact O-N 3.06Å; E9-E12 WeakPolarHBondContact O-CB 3.5Å; E9-E12 PolarHBondContact O-N 3.41Å; E9-E12 VanDerWaalsContact O-N 3.15Å; E12-L14 VanDerWaalsContact C-N 3.33Å; E12-L14 PolarHBondContact O-N 3Å; E12-Y15 WeakPolarHBondContact O-CB 3.35Å; E12-Y15 PolarHBondContact O-N 3Å; E12-Q16 WeakPolarHBondContact O-CG 3.43Å; E12-Q16 PolarHBondContact O-N 3.45Å; E12-Q16 PolarHBondContact OE1-NE2 3.14Å |
| 13 | L | 91.6 | Very high | 80.9 | Confident | 22 Ų | 22 | 84.3 Ų | 84.3 | 12% | 0.115 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -61.4 | -39.5 | 175.5 | -69 | 175.8 | 0 | 0 | 0 | 112.4 | E9 A10 Q16 L17 L160 L164 E167 | E9-L13 WeakPolarHBondContact O-CG 3.29Å; E9-L13 PolarHBondContact O-N 3.24Å; A10-L13 PolarHBondContact O-N 3.38Å; L13-Q16 PolarHBondContact O-N 3.42Å; L13-L17 WeakPolarHBondContact O-CB 3.47Å; L13-L17 PolarHBondContact O-N 2.95Å; L13-L160 HydrophobicContact CD2-CD2 3.87Å; L13-L164 HydrophobicContact CB-CD1 4.48Å; L13-L164 HydrophobicContact CB-CD2 3.65Å; L13-L164 HydrophobicContact CB-CG 3.98Å; L13-L164 HydrophobicContact CD1-CD2 4.07Å; L13-L164 HydrophobicContact CD1-CG 4.22Å; L13-E167 VanDerWaalsContact CD1-OE1 3.29Å; L13-E167 WeakPolarHBondContact CD1-OE1 3.47Å |
| 14 | L | 91.7 | Very high | 83.3 | Confident | 27 Ų | 27 | 75.7 Ų | 75.7 | 14% | 0.141 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -69.1 | -35.4 | 176 | -73 | 171.9 | 0 | 0 | 0 | 112.9 | V6 A10 Q11 E12 L17 T18 L164 F226 | V6-L14 HydrophobicContact CG1-CD1 4.36Å; A10-L14 WeakPolarHBondContact O-CB 3.29Å; A10-L14 VanDerWaalsContact O-CG 3.29Å; A10-L14 WeakPolarHBondContact O-CG 3.5Å; A10-L14 PolarHBondContact O-N 2.77Å; Q11-L14 PolarHBondContact O-N 3.09Å; E12-L14 VanDerWaalsContact C-N 3.33Å; E12-L14 PolarHBondContact O-N 3Å; L14-L17 HydrophobicContact CD2-CD2 4.31Å; L14-L17 PolarHBondContact O-N 3.4Å; L14-T18 PolarHBondContact O-N 2.96Å; L14-T18 PolarHBondContact O-OG1 3.45Å; L14-L164 HydrophobicContact CD2-CD1 3.99Å; L14-L164 HydrophobicContact CD2-CD2 4.18Å; L14-L164 HydrophobicContact CG-CD2 4.05Å; L14-F226 HydrophobicContact CD1-CE1 4.32Å; L14-F226 HydrophobicContact CD1-CZ 4.18Å; L14-F226 HydrophobicContact CD2-CE1 3.88Å; L14-F226 HydrophobicContact CD2-CZ 4.29Å |
| 15 | Y | 92.8 | Very high | 85.3 | Confident | 165 Ų | 165 | 75.3 Ų | 75.3 | 65% | 0.647 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -63.3 | -46.8 | 172.6 | 177.6 | -102.7 | 0 | 0 | 0 | 110.8 | Q11 E12 L17 T18 A19 | Q11-Y15 PolarHBondContact O-N 3.22Å; E12-Y15 WeakPolarHBondContact O-CB 3.35Å; E12-Y15 PolarHBondContact O-N 3Å; Y15-L17 PolarHBondContact O-N 3.23Å; Y15-T18 PolarHBondContact O-N 3.46Å; Y15-A19 PolarHBondContact O-N 3.22Å |
| 16 | Q | 94 | Very high | 87.3 | Confident | 80 Ų | 80 | 75.8 Ų | 75.8 | 37% | 0.374 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60 | -44.2 | 175.2 | -69.2 | 176.2 | 17.3 | 0 | 0 | 112 | E12 L13 T18 A19 L20 L160 | E12-Q16 WeakPolarHBondContact O-CG 3.43Å; E12-Q16 PolarHBondContact O-N 3.45Å; E12-Q16 PolarHBondContact OE1-NE2 3.14Å; L13-Q16 PolarHBondContact O-N 3.42Å; Q16-T18 VanDerWaalsContact C-N 3.31Å; Q16-T18 PolarHBondContact O-N 2.99Å; Q16-A19 PolarHBondContact O-N 3.15Å; Q16-L20 WeakPolarHBondContact O-CG 3.43Å; Q16-L20 PolarHBondContact O-N 3.19Å; Q16-L160 HydrophobicContact CB-CD1 4.32Å; Q16-L160 HydrophobicContact CB-CD2 4.15Å |
| 17 | L | 94.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -57.7 | -45.6 | 176.1 | 176.1 | 60.9 | 0 | 0 | 0 | 111.4 | L13 L14 Y15 A19 L20 L21 F157 L160 Y161 L164 L227 | L13-L17 WeakPolarHBondContact O-CB 3.47Å; L13-L17 PolarHBondContact O-N 2.95Å; L14-L17 HydrophobicContact CD2-CD2 4.31Å; L14-L17 PolarHBondContact O-N 3.4Å; Y15-L17 PolarHBondContact O-N 3.23Å; L17-A19 PolarHBondContact O-N 3.22Å; L17-L20 PolarHBondContact O-N 2.98Å; L17-L21 HydrophobicContact CD1-CD1 4.34Å; L17-L21 HydrophobicContact CD1-CG 4.36Å; L17-L21 HydrophobicContact CG-CD1 4.12Å; L17-L21 VanDerWaalsContact O-CG 3.31Å; L17-L21 WeakPolarHBondContact O-CG 3.38Å; L17-L21 PolarHBondContact O-N 3.01Å; L17-F157 HydrophobicContact CD1-CD1 3.62Å; L17-F157 HydrophobicContact CD1-CE1 3.71Å; L17-L160 HydrophobicContact CB-CD1 4.08Å; L17-L160 HydrophobicContact CD1-CD1 4.36Å; L17-Y161 HydrophobicContact CD1-CD1 4.23Å; L17-Y161 HydrophobicContact CD1-CE1 3.5Å; L17-Y161 HydrophobicContact CD2-CD1 4.32Å; L17-Y161 HydrophobicContact CD2-CE1 3.82Å; L17-Y161 HydrophobicContact CG-CE1 4.33Å; L17-L164 HydrophobicContact CD2-CD1 4.13Å; L17-L227 HydrophobicContact CD2-CD2 4.22Å |
| 18 | T | 94.5 | Very high | 89.5 | Confident | 52 Ų | 52 | 71.5 Ų | 71.5 | 32% | 0.319 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.1 | -43.9 | 178.7 | -53.1 | 0 | 0 | 0 | 0 | 111.2 | L14 Y15 Q16 L20 L21 E22 H230 | L14-T18 PolarHBondContact O-N 2.96Å; L14-T18 PolarHBondContact O-OG1 3.45Å; Y15-T18 PolarHBondContact O-N 3.46Å; Q16-T18 VanDerWaalsContact C-N 3.31Å; Q16-T18 PolarHBondContact O-N 2.99Å; T18-L20 VanDerWaalsContact C-N 3.32Å; T18-L20 PolarHBondContact O-N 3.41Å; T18-L21 PolarHBondContact O-N 3.33Å; T18-E22 WeakPolarHBondContact O-CG 3.46Å; T18-E22 PolarHBondContact O-N 3.06Å; T18-E22 VanDerWaalsContact O-N 3.14Å; T18-H230 PolarHBondContact OG1-NE2 2.97Å; T18-H230 VanDerWaalsContact OG1-NE2 3.09Å |
| 19 | A | 93.9 | Very high | 90.2 | Very high | 30 Ų | 30 | 66.5 Ų | 66.5 | 25% | 0.248 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.3 | -35.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y15 Q16 L17 Q23 | Y15-A19 PolarHBondContact O-N 3.22Å; Q16-A19 PolarHBondContact O-N 3.15Å; L17-A19 PolarHBondContact O-N 3.22Å; A19-Q23 WeakPolarHBondContact O-CG 3.4Å; A19-Q23 PolarHBondContact O-NE2 3.3Å |
| 20 | L | 94.4 | Very high | 90.8 | Very high | 29 Ų | 29 | 65.9 Ų | 65.9 | 15% | 0.152 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -70.7 | -41.2 | 174.4 | -67.4 | -168.2 | 0 | 0 | 0 | 112.2 | Q16 L17 T18 E22 Q23 E24 V152 Q156 F157 L160 | Q16-L20 WeakPolarHBondContact O-CG 3.43Å; Q16-L20 PolarHBondContact O-N 3.19Å; L17-L20 PolarHBondContact O-N 2.98Å; T18-L20 VanDerWaalsContact C-N 3.32Å; T18-L20 PolarHBondContact O-N 3.41Å; L20-E22 VanDerWaalsContact C-N 3.3Å; L20-E22 PolarHBondContact O-N 3.32Å; L20-Q23 PolarHBondContact O-N 3Å; L20-Q23 VanDerWaalsContact O-N 3.13Å; L20-E24 PolarHBondContact O-N 2.99Å; L20-V152 HydrophobicContact CB-CG1 3.97Å; L20-V152 HydrophobicContact CD1-CG1 4.33Å; L20-V152 HydrophobicContact CD2-CG1 4.16Å; L20-V152 HydrophobicContact CD2-CG2 4.06Å; L20-V152 HydrophobicContact CG-CG1 4.39Å; L20-Q156 HydrophobicContact CD1-CB 3.73Å; L20-F157 HydrophobicContact CB-CE1 3.79Å; L20-F157 HydrophobicContact CB-CE2 4.48Å; L20-F157 HydrophobicContact CB-CZ 3.73Å; L20-L160 HydrophobicContact CD1-CD1 3.52Å; L20-L160 HydrophobicContact CG-CD1 4.26Å |
| 21 | L | 94.3 | Very high | 91.2 | Very high | 33 Ų | 33 | 68.2 Ų | 68.2 | 17% | 0.173 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.7 | -39.2 | 177.7 | -71.7 | 167.6 | 0 | 0 | 0 | 112.1 | L17 T18 Q23 E24 F157 | L17-L21 HydrophobicContact CD1-CD1 4.34Å; L17-L21 HydrophobicContact CD1-CG 4.36Å; L17-L21 HydrophobicContact CG-CD1 4.12Å; L17-L21 VanDerWaalsContact O-CG 3.31Å; L17-L21 WeakPolarHBondContact O-CG 3.38Å; L17-L21 PolarHBondContact O-N 3.01Å; T18-L21 PolarHBondContact O-N 3.33Å; L21-Q23 VanDerWaalsContact C-N 3.28Å; L21-Q23 PolarHBondContact O-N 3.04Å; L21-E24 WeakPolarHBondContact O-CB 3.23Å; L21-E24 PolarHBondContact O-N 3.46Å; L21-F157 HydrophobicContact CD2-CE1 3.68Å; L21-F157 HydrophobicContact CD2-CZ 3.94Å; L21-F157 HydrophobicContact CG-CE1 3.89Å; L21-F157 HydrophobicContact CG-CZ 4.29Å |
| 22 | E | 92.2 | Very high | 91.6 | Very high | 143 Ų | 143 | 66 Ų | 66 | 67% | 0.668 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -65.3 | -30.7 | 176.9 | -71.3 | -178.3 | 174.4 | 0 | 0 | 113.4 | T18 L20 | T18-E22 WeakPolarHBondContact O-CG 3.46Å; T18-E22 PolarHBondContact O-N 3.06Å; T18-E22 VanDerWaalsContact O-N 3.14Å; L20-E22 VanDerWaalsContact C-N 3.3Å; L20-E22 PolarHBondContact O-N 3.32Å |
| 23 | Q | 90.7 | Very high | 91.7 | Very high | 78 Ų | 78 | 61.8 Ų | 61.8 | 36% | 0.364 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -89.5 | -21.4 | -177.7 | -68.5 | 177.8 | 57.5 | 0 | 0 | 113 | A19 L20 L21 L25 R26 V152 | A19-Q23 WeakPolarHBondContact O-CG 3.4Å; A19-Q23 PolarHBondContact O-NE2 3.3Å; L20-Q23 PolarHBondContact O-N 3Å; L20-Q23 VanDerWaalsContact O-N 3.13Å; L21-Q23 VanDerWaalsContact C-N 3.28Å; L21-Q23 PolarHBondContact O-N 3.04Å; Q23-L25 PolarHBondContact O-N 2.91Å; Q23-R26 WeakPolarHBondContact O-CB 3.43Å; Q23-R26 PolarHBondContact O-N 2.9Å; Q23-V152 HydrophobicContact CB-CG2 3.5Å |
| 24 | E | 91.6 | Very high | 91.8 | Very high | 7 Ų | 7 | 60.8 Ų | 60.8 | 3% | 0.033 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -50 | -49 | -173.4 | -174.2 | -176 | -133.1 | 0 | 0 | 113.6 | L20 L21 R26 C27 F157 K199 P200 S201 | L20-E24 PolarHBondContact O-N 2.99Å; L21-E24 WeakPolarHBondContact O-CB 3.23Å; L21-E24 PolarHBondContact O-N 3.46Å; E24-R26 PolarHBondContact O-N 3.25Å; E24-C27 PolarHBondContact O-N 3.28Å; E24-C27 VanDerWaalsContact O-N 3.11Å; E24-F157 HydrophobicContact CB-CZ 4.44Å; E24-F157 HydrophobicContact CG-CE2 4.31Å; E24-K199 WeakPolarHBondContact OE1-CB 3.35Å; E24-P200 HydrophobicContact CG-CG 4.13Å; E24-P200 VanDerWaalsContact OE1-CD 3.29Å; E24-P200 WeakPolarHBondContact OE1-CD 3.46Å; E24-P200 VanDerWaalsContact OE1-N 3.16Å; E24-S201 WeakPolarHBondContact OE1-CB 3.19Å; E24-S201 PolarHBondContact OE1-N 3.39Å; E24-S201 PolarHBondContact OE1-OG 3.1Å; E24-S201 PolarHBondContact OE2-OG 3.42Å |
| 25 | L | 85.4 | Confident | 91.9 | Very high | 121 Ų | 121 | 67.2 Ų | 67.2 | 63% | 0.634 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -63.4 | -26.3 | -177.5 | -69 | 173 | 0 | 0 | 0 | 113 | Q23 C27 | Q23-L25 PolarHBondContact O-N 2.91Å; L25-C27 PolarHBondContact O-N 2.85Å |
| 26 | R | 85.5 | Confident | 91.8 | Very high | 176 Ų | 176 | 65 Ų | 65 | 66% | 0.664 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -74.7 | -16.7 | -178.9 | -59.2 | 179.2 | 177 | -179.6 | 0.7 | 112.2 | Q23 E24 | Q23-R26 WeakPolarHBondContact O-CB 3.43Å; Q23-R26 PolarHBondContact O-N 2.9Å; E24-R26 PolarHBondContact O-N 3.25Å |
| 27 | C | 83.9 | Confident | 91.8 | Very high | 6 Ų | 6 | 61.8 Ų | 61.8 | 4% | 0.041 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -116.1 | 11.8 | -168.3 | -61.4 | 0 | 0 | 0 | 0 | 112.6 | E24 L25 N78 R82 A151 | E24-C27 PolarHBondContact O-N 3.28Å; E24-C27 VanDerWaalsContact O-N 3.11Å; L25-C27 PolarHBondContact O-N 2.85Å; C27-N78 PolarHBondContact O-ND2 3.41Å; C27-R82 VanDerWaalsContact O-CD 3.32Å; C27-R82 WeakPolarHBondContact O-CD 3.32Å; C27-A151 HydrophobicContact CB-CB 3.96Å |
| 28 | Q | 90.1 | Very high | 91.6 | Very high | 54 Ų | 54 | 64.9 Ų | 64.9 | 25% | 0.252 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -87.3 | 146.1 | 175.3 | -73.9 | -170.3 | 27.7 | 0 | 0 | 113.2 | ||
| 29 | P | 93.3 | Very high | 91.5 | Very high | 19 Ų | 19 | 66.1 Ų | 66.1 | 12% | 0.123 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -64.5 | 155.1 | 169.1 | 28.6 | -35.4 | 0 | 0 | 0 | 111.7 | A31 L34 D81 R82 S85 S196 | P29-A31 PolarHBondContact O-N 3.38Å; P29-L34 HydrophobicContact CB-CD1 3.95Å; P29-L34 HydrophobicContact CB-CD2 4.18Å; P29-L34 HydrophobicContact CB-CG 4.11Å; P29-L34 HydrophobicContact CG-CD1 3.57Å; P29-L34 HydrophobicContact CG-CD2 4.49Å; P29-L34 HydrophobicContact CG-CG 4.28Å; P29-D81 HydrophobicContact CB-CB 4.18Å; P29-D81 HydrophobicContact CG-CB 4.34Å; P29-R82 HydrophobicContact CB-CG 4.26Å; P29-S85 WeakPolarHBondContact CB-OG 3.3Å; P29-S196 WeakPolarHBondContact CG-O 3.4Å |
| 30 | K | 93.5 | Very high | 91.3 | Very high | 118 Ų | 118 | 65.9 Ų | 65.9 | 51% | 0.513 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -71.5 | 119.3 | 177.1 | -70.8 | -170.3 | 175.8 | -173.9 | 0 | 110.2 | S32 G33 L34 S85 K86 | K30-S32 PolarHBondContact O-N 2.98Å; K30-G33 PolarHBondContact O-N 3.25Å; K30-L34 PolarHBondContact O-N 2.76Å; K30-L34 VanDerWaalsContact O-N 3.12Å; K30-S85 PolarHBondContact N-OG 3.13Å; K30-S85 WeakPolarHBondContact O-CB 3.31Å; K30-K86 HydrophobicContact CD-CG 4.09Å; K30-K86 HydrophobicContact CG-CG 4.4Å |
| 31 | A | 92.3 | Very high | 90.8 | Very high | 61 Ų | 61 | 72 Ų | 72 | 50% | 0.504 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -56.9 | -34.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | P29 G33 R35 | P29-A31 PolarHBondContact O-N 3.38Å; A31-G33 VanDerWaalsContact C-N 3.35Å; A31-R35 WeakPolarHBondContact O-CG 3.31Å; A31-R35 PolarHBondContact O-N 2.83Å; A31-R35 VanDerWaalsContact O-N 3.11Å |
| 32 | S | 92.8 | Very high | 90.1 | Very high | 68 Ų | 68 | 74.6 Ų | 74.6 | 48% | 0.476 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.7 | -39.2 | 174.8 | 57.8 | 0 | 0 | 0 | 0 | 112.5 | K30 L36 | K30-S32 PolarHBondContact O-N 2.98Å; S32-L36 WeakPolarHBondContact O-CG 3.49Å; S32-L36 PolarHBondContact O-N 3.01Å |
| 33 | G | 92.8 | Very high | 89.6 | Confident | 8 Ų | 8 | 71.7 Ų | 71.7 | 8% | 0.082 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -70.1 | -42.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | K30 A31 R35 L36 I37 S85 | K30-G33 PolarHBondContact O-N 3.25Å; A31-G33 VanDerWaalsContact C-N 3.35Å; G33-R35 PolarHBondContact O-N 3.29Å; G33-L36 PolarHBondContact O-N 3.18Å; G33-I37 WeakPolarHBondContact O-CG1 3.42Å; G33-I37 PolarHBondContact O-N 3.48Å; G33-S85 WeakPolarHBondContact CA-O 3.44Å |
| 34 | L | 93.4 | Very high | 89 | Confident | 1 Ų | 1 | 70.3 Ų | 70.3 | 1% | 0.005 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -61 | -44 | 176.2 | -65.6 | -175.7 | 0 | 0 | 0 | 112.1 | P29 K30 L36 I37 E38 D81 I193 K197 | P29-L34 HydrophobicContact CB-CD1 3.95Å; P29-L34 HydrophobicContact CB-CD2 4.18Å; P29-L34 HydrophobicContact CB-CG 4.11Å; P29-L34 HydrophobicContact CG-CD1 3.57Å; P29-L34 HydrophobicContact CG-CD2 4.49Å; P29-L34 HydrophobicContact CG-CG 4.28Å; K30-L34 PolarHBondContact O-N 2.76Å; K30-L34 VanDerWaalsContact O-N 3.12Å; L34-L36 VanDerWaalsContact C-N 3.27Å; L34-L36 PolarHBondContact O-N 2.91Å; L34-I37 PolarHBondContact O-N 3.4Å; L34-I37 VanDerWaalsContact O-N 3.1Å; L34-E38 PolarHBondContact O-N 3.31Å; L34-D81 HydrophobicContact CD2-CB 4.48Å; L34-I193 HydrophobicContact CD2-CD1 4.43Å; L34-I193 HydrophobicContact CD2-CG1 4.43Å; L34-K197 HydrophobicContact CB-CG 4.39Å; L34-K197 HydrophobicContact CD1-CG 3.67Å |
| 35 | R | 93.3 | Very high | 88.5 | Confident | 163 Ų | 163 | 76 Ų | 76 | 62% | 0.615 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -59.2 | -37.1 | 176.4 | -75.3 | -173.6 | -70.1 | -172.9 | 0.3 | 112.7 | A31 G33 E38 S39 | A31-R35 WeakPolarHBondContact O-CG 3.31Å; A31-R35 PolarHBondContact O-N 2.83Å; A31-R35 VanDerWaalsContact O-N 3.11Å; G33-R35 PolarHBondContact O-N 3.29Å; R35-E38 PolarHBondContact O-N 2.97Å; R35-S39 WeakPolarHBondContact O-CB 3.5Å; R35-S39 PolarHBondContact O-N 3.39Å; R35-S39 PolarHBondContact O-OG 3.3Å |
| 36 | L | 92.1 | Very high | 88.6 | Confident | 119 Ų | 119 | 78 Ų | 78 | 62% | 0.623 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -64.8 | -40.7 | 176.3 | -70.3 | 166.5 | 0 | 0 | 0 | 111.7 | S32 G33 L34 S39 A40 | S32-L36 WeakPolarHBondContact O-CG 3.49Å; S32-L36 PolarHBondContact O-N 3.01Å; G33-L36 PolarHBondContact O-N 3.18Å; L34-L36 VanDerWaalsContact C-N 3.27Å; L34-L36 PolarHBondContact O-N 2.91Å; L36-S39 PolarHBondContact O-OG 3.42Å; L36-A40 WeakPolarHBondContact O-CB 3.33Å; L36-A40 PolarHBondContact O-N 2.89Å; L36-A40 VanDerWaalsContact O-N 3.15Å |
| 37 | I | 93.3 | Very high | 89 | Confident | 12 Ų | 12 | 70.3 Ų | 70.3 | 6% | 0.062 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -68.2 | -38.8 | 177.8 | -62.3 | 166.8 | 0 | 0 | 0 | 111.1 | G33 L34 M47 T48 A49 L84 I193 | G33-I37 WeakPolarHBondContact O-CG1 3.42Å; G33-I37 PolarHBondContact O-N 3.48Å; L34-I37 PolarHBondContact O-N 3.4Å; L34-I37 VanDerWaalsContact O-N 3.1Å; I37-M47 HydrophobicContact CG1-CB 4.41Å; I37-T48 CarbonylContact O-C 3.5Å; I37-T48 WeakPolarHBondContact O-CA 3.4Å; I37-A49 PolarHBondContact O-N 2.86Å; I37-L84 HydrophobicContact CD1-CB 3.75Å; I37-I193 HydrophobicContact CB-CD1 4.02Å; I37-I193 HydrophobicContact CG2-CD1 3.47Å; I37-I193 VanDerWaalsContact CG2-CD1 3.47Å |
| 38 | E | 91.1 | Very high | 89.5 | Confident | 65 Ų | 65 | 70.3 Ų | 70.3 | 30% | 0.304 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -67.5 | -40.2 | 176.9 | -72.5 | -177 | 126.3 | 0 | 0 | 112.7 | L34 R35 A40 I193 K197 | L34-E38 PolarHBondContact O-N 3.31Å; R35-E38 PolarHBondContact O-N 2.97Å; E38-A40 VanDerWaalsContact C-N 3.33Å; E38-I193 HydrophobicContact CG-CG2 3.91Å; E38-K197 WeakPolarHBondContact OE1-CE 3.42Å; E38-K197 IonicContact OE1-NZ 2.77Å; E38-K197 PolarHBondContact OE1-NZ 2.76Å; E38-K197 IonicContact OE2-NZ 3.55Å; E38-K197 PolarHBondContact OE2-NZ 2.78Å |
| 39 | S | 90.9 | Very high | 89.8 | Confident | 78 Ų | 78 | 68.9 Ų | 68.9 | 55% | 0.545 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -79.4 | -11.1 | 179.6 | 65.7 | 0 | 0 | 0 | 0 | 114.5 | R35 L36 H41 | R35-S39 WeakPolarHBondContact O-CB 3.5Å; R35-S39 PolarHBondContact O-N 3.39Å; R35-S39 PolarHBondContact O-OG 3.3Å; L36-S39 PolarHBondContact O-OG 3.42Å; S39-H41 PolarHBondContact O-N 2.89Å |
| 40 | A | 89.7 | Confident | 89.8 | Confident | 25 Ų | 25 | 75.6 Ų | 75.6 | 21% | 0.207 | 39% | 0.393 | C | S | . | . | trans | -72.6 | 129 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L36 E38 M47 T48 | L36-A40 WeakPolarHBondContact O-CB 3.33Å; L36-A40 PolarHBondContact O-N 2.89Å; L36-A40 VanDerWaalsContact O-N 3.15Å; E38-A40 VanDerWaalsContact C-N 3.33Å; A40-M47 VanDerWaalsContact CB-O 3.26Å; A40-M47 WeakPolarHBondContact CB-O 3.48Å; A40-T48 HydrophobicContact CB-CG2 4.08Å; A40-T48 WeakPolarHBondContact O-CG2 3.3Å | ||
| 41 | H | 84.8 | Confident | 89.8 | Confident | 158 Ų | 158 | 71.7 Ų | 71.7 | 73% | 0.731 | 38% | 0.378 | S | S | * | . | trans | -79.5 | 149.3 | 171.3 | -58 | -63.2 | 0 | 0 | 0 | 111.7 | S39 N43 | S39-H41 PolarHBondContact O-N 2.89Å; H41-N43 PolarHBondContact O-N 2.84Å | ||
| 42 | D | 79.9 | Confident | 90 | Very high | 86 Ų | 86 | 68.9 Ų | 68.9 | 46% | 0.46 | 35% | 0.354 | S | S | . | . | trans | -76.9 | 94.7 | 179 | -174.6 | 26.2 | 0 | 0 | 0 | 111 | R50 | D42-R50 IonicContact OD1-NH2 3.98Å; D42-R50 IonicContact OD2-CZ 3.29Å; D42-R50 VanDerWaalsContact OD2-CZ 3.29Å; D42-R50 IonicContact OD2-NH1 3.26Å; D42-R50 PolarHBondContact OD2-NH1 3.49Å; D42-R50 IonicContact OD2-NH2 2.6Å; D42-R50 PolarHBondContact OD2-NH2 3.03Å | ||
| 43 | N | 81.7 | Confident | 90.1 | Very high | 83 Ų | 83 | 66.5 Ų | 66.5 | 44% | 0.444 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -121.1 | 12.2 | 175.4 | 63 | 8.7 | 0 | 0 | 0 | 112.2 | H41 L45 | H41-N43 PolarHBondContact O-N 2.84Å; N43-L45 PolarHBondContact O-N 3.44Å; N43-L45 VanDerWaalsContact O-N 3.11Å; N43-L45 WeakPolarHBondContact OD1-CB 3.4Å; N43-L45 PolarHBondContact OD1-N 3.17Å |
| 44 | G | 78.3 | Confident | 90.2 | Very high | 48 Ų | 48 | 72 Ų | 72 | 50% | 0.495 | 36% | 0.358 | S | S | . | . | S | Bend | trans | 70.6 | -5.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 45 | L | 81 | Confident | 90.3 | Very high | 128 Ų | 128 | 72.2 Ų | 72.2 | 67% | 0.67 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -99.1 | -17.7 | -173.3 | -63.3 | 172.9 | 0 | 0 | 0 | 113.7 | N43 | N43-L45 PolarHBondContact O-N 3.44Å; N43-L45 VanDerWaalsContact O-N 3.11Å; N43-L45 WeakPolarHBondContact OD1-CB 3.4Å; N43-L45 PolarHBondContact OD1-N 3.17Å |
| 46 | R | 87.9 | Confident | 90.5 | Very high | 161 Ų | 161 | 64.5 Ų | 64.5 | 61% | 0.608 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -136.6 | 153.3 | -169.1 | -49.7 | -175.3 | 177.7 | -174.4 | 0 | 110.8 | P91 | R46-P91 WeakPolarHBondContact O-CG 3.29Š|
| 47 | M | 93.4 | Very high | 90.6 | Very high | 15 Ų | 15 | 60.9 Ų | 60.9 | 7% | 0.074 | 31% | 0.309 | C | S | . | . | trans | -64.1 | 136.8 | 168.2 | -75 | -53.3 | -54.3 | 0 | 0 | 111 | I37 A40 L51 R52 L84 V89 L94 | I37-M47 HydrophobicContact CG1-CB 4.41Å; A40-M47 VanDerWaalsContact CB-O 3.26Å; A40-M47 WeakPolarHBondContact CB-O 3.48Å; M47-L51 HydrophobicContact CE-CB 3.78Å; M47-R52 HydrophobicContact CE-CB 4.48Å; M47-L84 HydrophobicContact CE-CD1 4.41Å; M47-L84 HydrophobicContact CG-CD2 4.26Å; M47-V89 HydrophobicContact CG-CB 3.96Å; M47-V89 HydrophobicContact CG-CG1 4.4Å; M47-V89 WeakPolarHBondContact CG-O 3.5Å; M47-V89 HydrophobicContact SD-CG1 4.41Å; M47-L94 HydrophobicContact CE-CD1 3.56Å; M47-L94 HydrophobicContact CE-CD2 3.61Å; M47-L94 HydrophobicContact CE-CG 4.12Å; M47-L94 HydrophobicContact SD-CB 4.27Å; M47-L94 HydrophobicContact SD-CD1 3.98Å; M47-L94 HydrophobicContact SD-CD2 4.14Å; M47-L94 HydrophobicContact SD-CG 4.36Å | ||
| 48 | T | 95.1 | Very high | 90.7 | Very high | 6 Ų | 6 | 62.6 Ų | 62.6 | 4% | 0.037 | 32% | 0.318 | C | S | . | . | trans | -124.5 | 159.9 | 175.6 | 65.7 | 0 | 0 | 0 | 0 | 109.8 | I37 A40 R50 L51 R52 | I37-T48 CarbonylContact O-C 3.5Å; I37-T48 WeakPolarHBondContact O-CA 3.4Å; A40-T48 HydrophobicContact CB-CG2 4.08Å; A40-T48 WeakPolarHBondContact O-CG2 3.3Å; T48-R50 PolarHBondContact O-N 3.23Å; T48-L51 PolarHBondContact O-N 3.32Å; T48-L51 WeakPolarHBondContact OG1-CG 3.49Å; T48-L51 PolarHBondContact OG1-N 3.23Å; T48-R52 PolarHBondContact O-N 3.45Å; T48-R52 VanDerWaalsContact O-N 3.12Å | ||
| 49 | A | 94.6 | Very high | 91 | Very high | 24 Ų | 24 | 59.5 Ų | 59.5 | 20% | 0.198 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -51.7 | -42.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112 | I37 L51 R52 D53 I193 | I37-A49 PolarHBondContact O-N 2.86Å; A49-L51 PolarHBondContact O-N 3.06Å; A49-R52 PolarHBondContact O-N 3.5Å; A49-D53 WeakPolarHBondContact O-CB 3.47Å; A49-D53 VanDerWaalsContact O-CG 3.3Å; A49-D53 PolarHBondContact O-N 3.05Å; A49-I193 HydrophobicContact CB-CG2 3.65Å |
| 50 | R | 93.6 | Very high | 91.2 | Very high | 160 Ų | 160 | 55.9 Ų | 55.9 | 60% | 0.604 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -63.7 | -41.4 | -179.3 | -163.8 | -176.9 | 76.3 | -155.6 | 0.2 | 112.8 | D42 T48 D53 F54 | D42-R50 IonicContact OD1-NH2 3.98Å; D42-R50 IonicContact OD2-CZ 3.29Å; D42-R50 VanDerWaalsContact OD2-CZ 3.29Å; D42-R50 IonicContact OD2-NH1 3.26Å; D42-R50 PolarHBondContact OD2-NH1 3.49Å; D42-R50 IonicContact OD2-NH2 2.6Å; D42-R50 PolarHBondContact OD2-NH2 3.03Å; T48-R50 PolarHBondContact O-N 3.23Å; R50-D53 PolarHBondContact O-N 3.37Å; R50-F54 WeakPolarHBondContact O-CB 3.38Å; R50-F54 PolarHBondContact O-N 3.48Å |
| 51 | L | 94.6 | Very high | 91.5 | Very high | 37 Ų | 37 | 56.3 Ų | 56.3 | 19% | 0.194 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67.2 | -42.1 | 177.9 | -71.8 | 172.1 | 0 | 0 | 0 | 111.3 | M47 T48 A49 F54 E55 P91 L94 | M47-L51 HydrophobicContact CE-CB 3.78Å; T48-L51 PolarHBondContact O-N 3.32Å; T48-L51 WeakPolarHBondContact OG1-CG 3.49Å; T48-L51 PolarHBondContact OG1-N 3.23Å; A49-L51 PolarHBondContact O-N 3.06Å; L51-F54 PolarHBondContact O-N 2.94Å; L51-E55 PolarHBondContact O-N 3.2Å; L51-P91 HydrophobicContact CD1-CB 3.82Å; L51-P91 HydrophobicContact CD1-CG 3.68Å; L51-L94 HydrophobicContact CB-CD2 3.99Å; L51-L94 WeakPolarHBondContact O-CD2 3.39Å |
| 52 | R | 95.9 | Very high | 91.9 | Very high | 1 Ų | 1 | 49.2 Ų | 49.2 | 0% | 0.004 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.6 | -48.2 | 173.9 | 180 | -77.2 | -166.3 | -168.1 | -9.5 | 110.7 | M47 T48 A49 F54 E55 V56 V77 D81 L84 H190 R192 I193 S196 | M47-R52 HydrophobicContact CE-CB 4.48Å; T48-R52 PolarHBondContact O-N 3.45Å; T48-R52 VanDerWaalsContact O-N 3.12Å; A49-R52 PolarHBondContact O-N 3.5Å; R52-F54 VanDerWaalsContact C-N 3.27Å; R52-F54 PolarHBondContact O-N 3.35Å; R52-E55 PolarHBondContact O-N 2.96Å; R52-V56 WeakPolarHBondContact O-CG2 3.29Å; R52-V56 PolarHBondContact O-N 2.93Å; R52-V77 VanDerWaalsContact NH2-CG1 3.34Å; R52-D81 IonicContact CZ-OD1 3.85Å; R52-D81 IonicContact CZ-OD2 2.79Å; R52-D81 IonicContact NE-OD1 3.38Å; R52-D81 PolarHBondContact NE-OD1 2.85Å; R52-D81 IonicContact NE-OD2 2.72Å; R52-D81 IonicContact NH2-OD1 2.78Å; R52-D81 PolarHBondContact NH2-OD1 3.47Å; R52-D81 IonicContact NH2-OD2 3.56Å; R52-D81 PolarHBondContact NH2-OD2 3.38Å; R52-L84 HydrophobicContact CB-CD1 4.32Å; R52-L84 HydrophobicContact CG-CD1 3.92Å; R52-H190 PolarHBondContact NH1-O 3.05Å; R52-H190 PolarHBondContact NH2-O 3.31Å; R52-H190 VanDerWaalsContact NH2-O 3.16Å; R52-R192 VanDerWaalsContact NH1-C 3.32Å; R52-I193 HydrophobicContact CB-CD1 4.32Å; R52-I193 HydrophobicContact CG-CD1 4.12Å; R52-I193 HydrophobicContact CG-CG1 4.42Å; R52-S196 PolarHBondContact NH2-OG 3.02Å; R52-S196 VanDerWaalsContact NH2-OG 3.16Å |
| 53 | D | 95.4 | Very high | 92.6 | Very high | 19 Ų | 19 | 45.3 Ų | 45.3 | 10% | 0.102 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.4 | -35.5 | -179.9 | -73.9 | 0.9 | 0 | 0 | 0 | 112 | A49 R50 K57 C191 R192 I193 | A49-D53 WeakPolarHBondContact O-CB 3.47Å; A49-D53 VanDerWaalsContact O-CG 3.3Å; A49-D53 PolarHBondContact O-N 3.05Å; R50-D53 PolarHBondContact O-N 3.37Å; D53-K57 VanDerWaalsContact O-CG 3.28Å; D53-K57 WeakPolarHBondContact O-CG 3.21Å; D53-K57 PolarHBondContact O-N 3.11Å; D53-C191 WeakPolarHBondContact CB-O 3.33Å; D53-R192 WeakPolarHBondContact OD1-CA 3.12Å; D53-I193 PolarHBondContact OD1-N 3.29Å |
| 54 | F | 93.6 | Very high | 93.1 | Very high | 124 Ų | 124 | 46.2 Ų | 46.2 | 54% | 0.544 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -63.1 | -51.2 | 172.6 | -178.9 | -92.3 | 0 | 0 | 0 | 111.4 | R50 L51 R52 V56 K57 D58 | R50-F54 WeakPolarHBondContact O-CB 3.38Å; R50-F54 PolarHBondContact O-N 3.48Å; L51-F54 PolarHBondContact O-N 2.94Å; R52-F54 VanDerWaalsContact C-N 3.27Å; R52-F54 PolarHBondContact O-N 3.35Å; F54-V56 VanDerWaalsContact C-N 3.33Å; F54-V56 PolarHBondContact O-N 2.78Å; F54-K57 WeakPolarHBondContact O-CB 3.44Å; F54-K57 PolarHBondContact O-N 2.91Å; F54-K57 VanDerWaalsContact O-N 3.1Å; F54-D58 WeakPolarHBondContact CE1-OD2 3.37Å; F54-D58 PolarHBondContact O-N 3.37Å |
| 55 | E | 96.2 | Very high | 93.7 | Very high | 5 Ų | 5 | 47.4 Ų | 47.4 | 2% | 0.023 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.9 | -43 | 178.5 | -176 | 66.9 | -165.8 | 0 | 0 | 111.9 | L51 R52 K57 D58 L59 L80 L94 G98 Y127 | L51-E55 PolarHBondContact O-N 3.2Å; R52-E55 PolarHBondContact O-N 2.96Å; E55-K57 VanDerWaalsContact C-N 3.28Å; E55-K57 PolarHBondContact O-N 2.99Å; E55-D58 WeakPolarHBondContact O-CB 3.37Å; E55-D58 PolarHBondContact O-N 3.23Å; E55-D58 VanDerWaalsContact O-N 3.12Å; E55-L59 WeakPolarHBondContact O-CG 3.38Å; E55-L59 PolarHBondContact O-N 3.35Å; E55-L80 HydrophobicContact CG-CD2 4.18Å; E55-L94 HydrophobicContact CB-CD1 4.28Å; E55-L94 HydrophobicContact CB-CD2 3.83Å; E55-L94 HydrophobicContact CB-CG 3.94Å; E55-L94 HydrophobicContact CG-CD1 4.12Å; E55-L94 HydrophobicContact CG-CD2 4.37Å; E55-L94 HydrophobicContact CG-CG 3.91Å; E55-G98 WeakPolarHBondContact OE1-CA 3.32Å; E55-Y127 VanDerWaalsContact CD-OH 3.29Å; E55-Y127 PolarHBondContact OE1-OH 2.62Å; E55-Y127 VanDerWaalsContact OE1-OH 3.05Å; E55-Y127 PolarHBondContact OE2-OH 3.43Å; E55-Y127 VanDerWaalsContact OE2-OH 3.05Å |
| 56 | V | 97.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.4 | -33.2 | 178.2 | 172.8 | 0 | 0 | 0 | 0 | 112.2 | R52 F54 L59 L60 F73 V77 L80 H190 | R52-V56 WeakPolarHBondContact O-CG2 3.29Å; R52-V56 PolarHBondContact O-N 2.93Å; F54-V56 VanDerWaalsContact C-N 3.33Å; F54-V56 PolarHBondContact O-N 2.78Å; V56-L59 PolarHBondContact O-N 3.08Å; V56-L60 WeakPolarHBondContact O-CB 3.49Å; V56-L60 PolarHBondContact O-N 3.26Å; V56-F73 HydrophobicContact CG1-CE2 3.93Å; V56-F73 HydrophobicContact CG1-CZ 3.66Å; V56-V77 HydrophobicContact CG1-CG2 3.73Å; V56-V77 HydrophobicContact CG2-CG2 4.24Å; V56-L80 HydrophobicContact CG2-CD2 3.76Å; V56-H190 WeakPolarHBondContact CG1-O 3.43Å |
| 57 | K | 95 | Very high | 94.3 | Very high | 43 Ų | 43 | 38.9 Ų | 38.9 | 19% | 0.187 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -68.5 | -36.3 | 173.3 | -71.9 | 172.6 | 179.8 | -166.1 | 0 | 112.2 | D53 F54 E55 L60 S61 C191 | D53-K57 VanDerWaalsContact O-CG 3.28Å; D53-K57 WeakPolarHBondContact O-CG 3.21Å; D53-K57 PolarHBondContact O-N 3.11Å; F54-K57 WeakPolarHBondContact O-CB 3.44Å; F54-K57 PolarHBondContact O-N 2.91Å; F54-K57 VanDerWaalsContact O-N 3.1Å; E55-K57 VanDerWaalsContact C-N 3.28Å; E55-K57 PolarHBondContact O-N 2.99Å; K57-L60 PolarHBondContact O-N 3.35Å; K57-S61 PolarHBondContact O-N 3.43Å; K57-S61 PolarHBondContact O-OG 2.88Å; K57-C191 HydrophobicContact CG-CB 4.23Å |
| 58 | D | 94.6 | Very high | 94.4 | Very high | 48 Ų | 48 | 39 Ų | 39 | 26% | 0.257 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -64.1 | -45 | 172.7 | -71.2 | -14.1 | 0 | 0 | 0 | 110.4 | F54 E55 L60 S61 L62 | F54-D58 WeakPolarHBondContact CE1-OD2 3.37Å; F54-D58 PolarHBondContact O-N 3.37Å; E55-D58 WeakPolarHBondContact O-CB 3.37Å; E55-D58 PolarHBondContact O-N 3.23Å; E55-D58 VanDerWaalsContact O-N 3.12Å; D58-L60 VanDerWaalsContact C-N 3.33Å; D58-L60 PolarHBondContact O-N 3.02Å; D58-S61 WeakPolarHBondContact O-CB 3.37Å; D58-S61 PolarHBondContact O-N 2.9Å; D58-S61 VanDerWaalsContact O-N 3.11Å; D58-L62 WeakPolarHBondContact O-CG 3.18Å; D58-L62 PolarHBondContact O-N 3.29Å |
| 59 | L | 97.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.5 | -41.6 | 174.3 | -63.1 | -169.6 | 0 | 0 | 0 | 112.5 | E55 V56 S61 L62 T63 F73 A76 L80 F102 | E55-L59 WeakPolarHBondContact O-CG 3.38Å; E55-L59 PolarHBondContact O-N 3.35Å; V56-L59 PolarHBondContact O-N 3.08Å; L59-S61 VanDerWaalsContact C-N 3.3Å; L59-S61 PolarHBondContact O-N 2.85Å; L59-L62 HydrophobicContact CD2-CD1 4.26Å; L59-L62 PolarHBondContact O-N 3.27Å; L59-T63 PolarHBondContact O-N 3.02Å; L59-T63 PolarHBondContact O-OG1 2.99Å; L59-T63 VanDerWaalsContact O-OG1 3.08Å; L59-F73 HydrophobicContact CB-CD2 4.48Å; L59-F73 HydrophobicContact CB-CE2 4.28Å; L59-A76 HydrophobicContact CD1-CB 4.42Å; L59-L80 HydrophobicContact CD1-CD2 4.42Å; L59-F102 HydrophobicContact CD1-CB 4.46Å; L59-F102 HydrophobicContact CD2-CB 3.83Å; L59-F102 HydrophobicContact CD2-CD2 4.4Å; L59-F102 HydrophobicContact CD2-CG 4.17Å |
| 60 | L | 96 | Very high | 94.5 | Very high | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.4 | -40.2 | 175.5 | 180 | 58.6 | 0 | 0 | 0 | 111.5 | V56 K57 D58 L62 T63 Q64 F73 K187 P260 | V56-L60 WeakPolarHBondContact O-CB 3.49Å; V56-L60 PolarHBondContact O-N 3.26Å; K57-L60 PolarHBondContact O-N 3.35Å; D58-L60 VanDerWaalsContact C-N 3.33Å; D58-L60 PolarHBondContact O-N 3.02Å; L60-L62 VanDerWaalsContact C-N 3.33Å; L60-T63 WeakPolarHBondContact O-CB 3.5Å; L60-T63 PolarHBondContact O-N 3.29Å; L60-Q64 WeakPolarHBondContact O-CG 3.48Å; L60-Q64 PolarHBondContact O-N 3.06Å; L60-F73 HydrophobicContact CB-CD2 4.28Å; L60-F73 HydrophobicContact CB-CE2 3.64Å; L60-F73 HydrophobicContact CB-CZ 3.88Å; L60-F73 HydrophobicContact CD1-CD1 4.23Å; L60-F73 HydrophobicContact CD1-CD2 4.34Å; L60-F73 HydrophobicContact CD1-CE1 4.1Å; L60-F73 HydrophobicContact CD1-CE2 4.24Å; L60-F73 HydrophobicContact CD1-CG 4.35Å; L60-F73 HydrophobicContact CD1-CZ 4.1Å; L60-F73 HydrophobicContact CG-CE2 4.5Å; L60-F73 HydrophobicContact CG-CZ 4.41Å; L60-K187 HydrophobicContact CD1-CB 4.14Å; L60-K187 HydrophobicContact CD1-CD 4.07Å; L60-K187 HydrophobicContact CD1-CG 3.96Å; L60-K187 HydrophobicContact CD2-CB 4.4Å; L60-P260 HydrophobicContact CD2-CG 4.28Å |
| 61 | S | 94.1 | Very high | 94.6 | Very high | 35 Ų | 35 | 36.9 Ų | 36.9 | 25% | 0.245 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.8 | -37.3 | 177.4 | -53.8 | 0 | 0 | 0 | 0 | 111.4 | K57 D58 L59 Q64 F65 P260 | K57-S61 PolarHBondContact O-N 3.43Å; K57-S61 PolarHBondContact O-OG 2.88Å; D58-S61 WeakPolarHBondContact O-CB 3.37Å; D58-S61 PolarHBondContact O-N 2.9Å; D58-S61 VanDerWaalsContact O-N 3.11Å; L59-S61 VanDerWaalsContact C-N 3.3Å; L59-S61 PolarHBondContact O-N 2.85Å; S61-Q64 PolarHBondContact O-N 3.48Å; S61-F65 WeakPolarHBondContact O-CB 3.37Å; S61-F65 PolarHBondContact O-N 3.41Å; S61-P260 VanDerWaalsContact OG-CB 3.28Å; S61-P260 WeakPolarHBondContact OG-CB 3.4Å |
| 62 | L | 93.7 | Very high | 94.8 | Very high | 8 Ų | 8 | 35.1 Ų | 35.1 | 4% | 0.042 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.8 | -45.6 | 173 | -67 | 171.8 | 0 | 0 | 0 | 111.6 | D58 L59 L60 Q64 F65 F66 L99 F102 I124 L265 | D58-L62 WeakPolarHBondContact O-CG 3.18Å; D58-L62 PolarHBondContact O-N 3.29Å; L59-L62 HydrophobicContact CD2-CD1 4.26Å; L59-L62 PolarHBondContact O-N 3.27Å; L60-L62 VanDerWaalsContact C-N 3.33Å; L62-Q64 VanDerWaalsContact C-N 3.25Å; L62-Q64 PolarHBondContact O-N 3.44Å; L62-F65 PolarHBondContact O-N 3.4Å; L62-F65 VanDerWaalsContact O-N 3.11Å; L62-F66 HydrophobicContact CD2-CE2 4.22Å; L62-F66 VanDerWaalsContact O-CD2 3.27Å; L62-F66 WeakPolarHBondContact O-CD2 3.33Å; L62-F66 PolarHBondContact O-N 3.41Å; L62-L99 HydrophobicContact CD1-CD1 3.61Å; L62-F102 HydrophobicContact CB-CE1 3.99Å; L62-F102 HydrophobicContact CB-CZ 3.9Å; L62-I124 HydrophobicContact CD2-CG2 4.12Å; L62-L265 HydrophobicContact CD2-CD1 4.37Å |
| 63 | T | 95.4 | Very high | 94.9 | Very high | 4 Ų | 4 | 35 Ų | 35 | 3% | 0.025 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -52 | -47.4 | 173.7 | -58.4 | 0 | 0 | 0 | 0 | 110.9 | L59 L60 G67 F68 F73 F102 | L59-T63 PolarHBondContact O-N 3.02Å; L59-T63 PolarHBondContact O-OG1 2.99Å; L59-T63 VanDerWaalsContact O-OG1 3.08Å; L60-T63 WeakPolarHBondContact O-CB 3.5Å; L60-T63 PolarHBondContact O-N 3.29Å; T63-G67 PolarHBondContact O-N 2.98Å; T63-F68 HydrophobicContact CG2-CB 4.08Å; T63-F68 VanDerWaalsContact CG2-O 3.31Å; T63-F68 WeakPolarHBondContact CG2-O 3.38Å; T63-F68 PolarHBondContact O-N 3.17Å; T63-F73 HydrophobicContact CG2-CB 3.97Å; T63-F102 WeakPolarHBondContact OG1-CE2 3.46Å |
| 64 | Q | 92.7 | Very high | 95 | Very high | 103 Ų | 103 | 34.2 Ų | 34.2 | 48% | 0.481 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -65.6 | -40.7 | 178.3 | -70.9 | 172.9 | -16.5 | 0 | 0 | 112.7 | L60 S61 L62 G67 | L60-Q64 WeakPolarHBondContact O-CG 3.48Å; L60-Q64 PolarHBondContact O-N 3.06Å; S61-Q64 PolarHBondContact O-N 3.48Å; L62-Q64 VanDerWaalsContact C-N 3.25Å; L62-Q64 PolarHBondContact O-N 3.44Å; Q64-G67 PolarHBondContact O-N 2.96Å |
| 65 | F | 90.1 | Very high | 95.2 | Very high | 73 Ų | 73 | 28.6 Ų | 28.6 | 32% | 0.32 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -64.1 | -43.6 | -180 | 177.5 | -90.8 | 0 | 0 | 0 | 112.6 | S61 L62 G67 I124 L265 W267 | S61-F65 WeakPolarHBondContact O-CB 3.37Å; S61-F65 PolarHBondContact O-N 3.41Å; L62-F65 PolarHBondContact O-N 3.4Å; L62-F65 VanDerWaalsContact O-N 3.11Å; F65-G67 VanDerWaalsContact C-N 3.35Å; F65-I124 HydrophobicContact CD1-CG2 3.78Å; F65-I124 HydrophobicContact CE1-CD1 3.84Å; F65-I124 HydrophobicContact CE1-CG1 4.31Å; F65-I124 HydrophobicContact CE1-CG2 3.68Å; F65-I124 HydrophobicContact CG-CG2 4.4Å; F65-I124 HydrophobicContact CZ-CD1 4.47Å; F65-I124 HydrophobicContact CZ-CG2 4.18Å; F65-L265 HydrophobicContact CB-CD1 3.79Å; F65-L265 HydrophobicContact CD1-CD1 4.13Å; F65-L265 HydrophobicContact CD2-CB 3.79Å; F65-L265 HydrophobicContact CD2-CD1 3.42Å; F65-L265 VanDerWaalsContact CD2-CD1 3.42Å; F65-L265 HydrophobicContact CD2-CG 4.01Å; F65-L265 HydrophobicContact CE2-CB 3.72Å; F65-L265 HydrophobicContact CE2-CD1 4Å; F65-L265 HydrophobicContact CE2-CG 4.41Å; F65-L265 HydrophobicContact CG-CD1 3.48Å; F65-L265 VanDerWaalsContact CG-CD1 3.48Å; F65-W267 HydrophobicContact CZ-CZ2 4.48Å |
| 66 | F | 90.1 | Very high | 95.3 | Very high | 50 Ų | 50 | 28.3 Ų | 28.3 | 22% | 0.219 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -84.1 | -10.5 | 179.5 | -71 | -75.8 | 0 | 0 | 0 | 113.5 | L62 F68 P116 L121 I124 | L62-F66 HydrophobicContact CD2-CE2 4.22Å; L62-F66 VanDerWaalsContact O-CD2 3.27Å; L62-F66 WeakPolarHBondContact O-CD2 3.33Å; L62-F66 PolarHBondContact O-N 3.41Å; F66-F68 VanDerWaalsContact C-N 3.32Å; F66-F68 HydrophobicContact CB-CD1 4.03Å; F66-F68 HydrophobicContact CB-CD2 3.65Å; F66-F68 HydrophobicContact CB-CE1 3.78Å; F66-F68 HydrophobicContact CB-CE2 3.36Å; F66-F68 HydrophobicContact CB-CG 3.94Å; F66-F68 HydrophobicContact CB-CZ 3.42Å; F66-F68 VanDerWaalsContact CB-CZ 3.42Å; F66-F68 HydrophobicContact CD1-CE2 4.41Å; F66-F68 HydrophobicContact CD1-CZ 4.1Å; F66-F68 AromaticContact CD2-CE2 3.86Å; F66-F68 HydrophobicContact CD2-CE2 3.86Å; F66-F68 HydrophobicContact CD2-CZ 4.37Å; F66-F68 HydrophobicContact CG-CD2 4.34Å; F66-F68 AromaticContact CG-CE2 3.64Å; F66-F68 HydrophobicContact CG-CE2 3.64Å; F66-F68 AromaticContact CG-CZ 3.73Å; F66-F68 HydrophobicContact CG-CZ 3.73Å; F66-P116 HydrophobicContact CE1-CB 4.09Å; F66-P116 HydrophobicContact CE1-CG 4.27Å; F66-L121 HydrophobicContact CD2-CD1 4.41Å; F66-L121 HydrophobicContact CE2-CD1 3.6Å; F66-L121 HydrophobicContact CZ-CD1 3.86Å; F66-I124 HydrophobicContact CE1-CD1 3.71Å; F66-I124 HydrophobicContact CE2-CG2 4.11Å; F66-I124 HydrophobicContact CZ-CB 4.17Å; F66-I124 HydrophobicContact CZ-CD1 3.44Å; F66-I124 VanDerWaalsContact CZ-CD1 3.44Å; F66-I124 HydrophobicContact CZ-CG1 4.39Å; F66-I124 HydrophobicContact CZ-CG2 4Å |
| 67 | G | 92 | Very high | 95.3 | Very high | 60 Ų | 60 | 28.5 Ų | 28.5 | 62% | 0.619 | 15% | 0.153 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 69.1 | 29.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | T63 Q64 F65 | T63-G67 PolarHBondContact O-N 2.98Å; Q64-G67 PolarHBondContact O-N 2.96Å; F65-G67 VanDerWaalsContact C-N 3.35Å |
| 68 | F | 95.2 | Very high | 95.4 | Very high | 18 Ų | 18 | 27.3 Ų | 27.3 | 8% | 0.079 | 15% | 0.149 | C | C | . | . | trans | -75.1 | 157.5 | 178.4 | -65.7 | -32.3 | 0 | 0 | 0 | 112.3 | T63 F66 T72 F102 V106 E110 P116 | T63-F68 HydrophobicContact CG2-CB 4.08Å; T63-F68 VanDerWaalsContact CG2-O 3.31Å; T63-F68 WeakPolarHBondContact CG2-O 3.38Å; T63-F68 PolarHBondContact O-N 3.17Å; F66-F68 VanDerWaalsContact C-N 3.32Å; F66-F68 HydrophobicContact CB-CD1 4.03Å; F66-F68 HydrophobicContact CB-CD2 3.65Å; F66-F68 HydrophobicContact CB-CE1 3.78Å; F66-F68 HydrophobicContact CB-CE2 3.36Å; F66-F68 HydrophobicContact CB-CG 3.94Å; F66-F68 HydrophobicContact CB-CZ 3.42Å; F66-F68 VanDerWaalsContact CB-CZ 3.42Å; F66-F68 HydrophobicContact CD1-CE2 4.41Å; F66-F68 HydrophobicContact CD1-CZ 4.1Å; F66-F68 AromaticContact CD2-CE2 3.86Å; F66-F68 HydrophobicContact CD2-CE2 3.86Å; F66-F68 HydrophobicContact CD2-CZ 4.37Å; F66-F68 HydrophobicContact CG-CD2 4.34Å; F66-F68 AromaticContact CG-CE2 3.64Å; F66-F68 HydrophobicContact CG-CE2 3.64Å; F66-F68 AromaticContact CG-CZ 3.73Å; F66-F68 HydrophobicContact CG-CZ 3.73Å; F68-T72 HydrophobicContact CB-CG2 4.27Å; F68-F102 HydrophobicContact CD2-CE1 4.12Å; F68-F102 HydrophobicContact CD2-CE2 4.43Å; F68-F102 AromaticContact CD2-CZ 3.6Å; F68-F102 HydrophobicContact CD2-CZ 3.6Å; F68-F102 AromaticContact CE2-CE1 3.95Å; F68-F102 HydrophobicContact CE2-CE1 3.95Å; F68-F102 AromaticContact CE2-CZ 3.92Å; F68-F102 HydrophobicContact CE2-CZ 3.92Å; F68-V106 HydrophobicContact CD2-CG2 3.64Å; F68-V106 HydrophobicContact CE1-CG1 4.43Å; F68-V106 HydrophobicContact CE2-CB 4.5Å; F68-V106 HydrophobicContact CE2-CG1 4.17Å; F68-V106 HydrophobicContact CE2-CG2 3.45Å; F68-V106 VanDerWaalsContact CE2-CG2 3.45Å; F68-V106 HydrophobicContact CG-CG2 4.45Å; F68-V106 HydrophobicContact CZ-CG1 3.99Å; F68-V106 HydrophobicContact CZ-CG2 4.13Å; F68-E110 WeakPolarHBondContact CB-OE1 3.3Å; F68-E110 HydrophobicContact CD1-CG 3.72Å; F68-E110 HydrophobicContact CE1-CG 4.16Å; F68-E110 HydrophobicContact CG-CG 4.15Å; F68-P116 HydrophobicContact CZ-CG 4.11Å | ||
| 69 | H | 95.4 | Very high | 95.6 | Very high | 113 Ų | 113 | 25 Ų | 25 | 52% | 0.523 | 14% | 0.137 | S | C | . | . | trans | -65.7 | 152.8 | -178.3 | -60.4 | 87.4 | 0 | 0 | 0 | 111.9 | E71 T72 F73 E110 | H69-E71 PolarHBondContact O-N 3.29Å; H69-T72 VanDerWaalsContact O-CB 3.27Å; H69-T72 WeakPolarHBondContact O-CB 2.98Å; H69-T72 PolarHBondContact O-N 3.03Å; H69-T72 VanDerWaalsContact O-N 3.07Å; H69-F73 PolarHBondContact O-N 3.15Å; H69-E110 IonicContact CE1-OE2 3Å; H69-E110 PolarHBondContact CE1-OE2 3.05Å; H69-E110 IonicContact CG-OE1 2.75Å; H69-E110 PolarHBondContact N-OE1 3.38Å; H69-E110 VanDerWaalsContact ND1-CD 3.27Å; H69-E110 IonicContact ND1-OE1 3.14Å; H69-E110 PolarHBondContact ND1-OE1 3.47Å; H69-E110 IonicContact ND1-OE2 3.67Å; H69-E110 PolarHBondContact ND1-OE2 2.95Å | ||
| 70 | T | 96.3 | Very high | 95.6 | Very high | 5 Ų | 5 | 25 Ų | 25 | 3% | 0.031 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.3 | -28.8 | 173.7 | -58.6 | 0 | 0 | 0 | 0 | 112.1 | F73 S74 F155 E183 K187 | T70-F73 PolarHBondContact O-N 3.18Å; T70-S74 WeakPolarHBondContact O-CB 3.3Å; T70-S74 PolarHBondContact O-N 2.79Å; T70-S74 PolarHBondContact O-OG 3.39Å; T70-F155 HydrophobicContact CG2-CD2 3.45Å; T70-F155 VanDerWaalsContact CG2-CD2 3.45Å; T70-F155 HydrophobicContact CG2-CE2 3.78Å; T70-F155 HydrophobicContact CG2-CG 4.17Å; T70-E183 HydrophobicContact CG2-CB 4.41Å; T70-E183 VanDerWaalsContact OG1-CD 3.26Å; T70-E183 PolarHBondContact OG1-OE2 3.41Å; T70-K187 HydrophobicContact CG2-CD 4.48Å; T70-K187 HydrophobicContact CG2-CG 4.19Å; T70-K187 WeakPolarHBondContact OG1-CE 3.46Å; T70-K187 PolarHBondContact OG1-NZ 2.99Å |
| 71 | E | 96.8 | Very high | 95.7 | Very high | 26 Ų | 26 | 25.2 Ų | 25.2 | 12% | 0.121 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61 | -45.1 | 172.5 | 179.2 | 55.5 | -174 | 0 | 0 | 111.7 | H69 F73 S74 L75 T109 T153 F155 Q156 | H69-E71 PolarHBondContact O-N 3.29Å; E71-F73 VanDerWaalsContact C-N 3.31Å; E71-F73 PolarHBondContact O-N 2.89Å; E71-S74 PolarHBondContact O-N 3.38Å; E71-S74 VanDerWaalsContact O-N 3.12Å; E71-L75 VanDerWaalsContact O-CB 3.32Å; E71-L75 WeakPolarHBondContact O-CB 3.28Å; E71-L75 PolarHBondContact O-N 3.32Å; E71-T109 HydrophobicContact CG-CG2 3.92Å; E71-T153 VanDerWaalsContact OE1-CG2 3.29Å; E71-T153 WeakPolarHBondContact OE1-CG2 3.3Å; E71-T153 PolarHBondContact OE1-OG1 3.39Å; E71-T153 WeakPolarHBondContact OE2-CB 3.27Å; E71-T153 PolarHBondContact OE2-OG1 3.12Å; E71-F155 HydrophobicContact CB-CD1 3.57Å; E71-F155 HydrophobicContact CB-CE1 3.77Å; E71-F155 HydrophobicContact CB-CG 4.48Å; E71-F155 HydrophobicContact CG-CD1 4.34Å; E71-F155 WeakPolarHBondContact OE2-CD1 3.08Å; E71-Q156 PolarHBondContact OE1-NE2 2.89Å |
| 72 | T | 97.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -58.1 | -44.4 | 177.6 | -52.2 | 0 | 0 | 0 | 0 | 111.3 | F68 H69 A76 A105 V106 T109 E110 | F68-T72 HydrophobicContact CB-CG2 4.27Å; H69-T72 VanDerWaalsContact O-CB 3.27Å; H69-T72 WeakPolarHBondContact O-CB 2.98Å; H69-T72 PolarHBondContact O-N 3.03Å; H69-T72 VanDerWaalsContact O-N 3.07Å; T72-A76 WeakPolarHBondContact O-CB 3.38Å; T72-A76 PolarHBondContact O-N 3.1Å; T72-A105 HydrophobicContact CG2-CB 4.24Å; T72-A105 WeakPolarHBondContact O-CB 3.2Å; T72-V106 HydrophobicContact CG2-CB 4.28Å; T72-V106 HydrophobicContact CG2-CG2 3.62Å; T72-T109 WeakPolarHBondContact CB-OG1 3.44Å; T72-T109 PolarHBondContact OG1-OG1 2.99Å; T72-E110 WeakPolarHBondContact CB-OE1 3.43Å; T72-E110 HydrophobicContact CG2-CG 4.21Å; T72-E110 PolarHBondContact OG1-OE1 2.7Å |
| 73 | F | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.2 | -47.3 | 173.9 | 174.6 | -113.8 | 0 | 0 | 0 | 112.3 | V56 L59 L60 T63 H69 T70 E71 L75 A76 V77 K187 H190 | V56-F73 HydrophobicContact CG1-CE2 3.93Å; V56-F73 HydrophobicContact CG1-CZ 3.66Å; L59-F73 HydrophobicContact CB-CD2 4.48Å; L59-F73 HydrophobicContact CB-CE2 4.28Å; L60-F73 HydrophobicContact CB-CD2 4.28Å; L60-F73 HydrophobicContact CB-CE2 3.64Å; L60-F73 HydrophobicContact CB-CZ 3.88Å; L60-F73 HydrophobicContact CD1-CD1 4.23Å; L60-F73 HydrophobicContact CD1-CD2 4.34Å; L60-F73 HydrophobicContact CD1-CE1 4.1Å; L60-F73 HydrophobicContact CD1-CE2 4.24Å; L60-F73 HydrophobicContact CD1-CG 4.35Å; L60-F73 HydrophobicContact CD1-CZ 4.1Å; L60-F73 HydrophobicContact CG-CE2 4.5Å; L60-F73 HydrophobicContact CG-CZ 4.41Å; T63-F73 HydrophobicContact CG2-CB 3.97Å; H69-F73 PolarHBondContact O-N 3.15Å; T70-F73 PolarHBondContact O-N 3.18Å; E71-F73 VanDerWaalsContact C-N 3.31Å; E71-F73 PolarHBondContact O-N 2.89Å; F73-L75 VanDerWaalsContact C-N 3.32Å; F73-L75 PolarHBondContact O-N 2.77Å; F73-A76 WeakPolarHBondContact O-CB 3.33Å; F73-A76 PolarHBondContact O-N 3.08Å; F73-V77 HydrophobicContact CD2-CG2 4.25Å; F73-V77 HydrophobicContact CE1-CG2 4.3Å; F73-V77 HydrophobicContact CE2-CG2 3.79Å; F73-V77 HydrophobicContact CZ-CG2 3.83Å; F73-V77 WeakPolarHBondContact O-CG2 3.47Å; F73-V77 PolarHBondContact O-N 3Å; F73-K187 HydrophobicContact CD1-CG 4.07Å; F73-K187 HydrophobicContact CE1-CB 4.3Å; F73-K187 HydrophobicContact CE1-CG 4.17Å; F73-H190 HydrophobicContact CE1-CB 3.67Å; F73-H190 AromaticContact CE1-ND1 3.87Å; F73-H190 HydrophobicContact CZ-CB 4.03Å |
| 74 | S | 97.8 | Very high | 96 | Very high | 2 Ų | 2 | 23.9 Ų | 23.9 | 1% | 0.014 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.5 | -40.1 | -178.6 | -57.9 | 0 | 0 | 0 | 0 | 111.9 | T70 E71 V77 N78 H190 | T70-S74 WeakPolarHBondContact O-CB 3.3Å; T70-S74 PolarHBondContact O-N 2.79Å; T70-S74 PolarHBondContact O-OG 3.39Å; E71-S74 PolarHBondContact O-N 3.38Å; E71-S74 VanDerWaalsContact O-N 3.12Å; S74-V77 PolarHBondContact O-N 3.24Å; S74-N78 PolarHBondContact O-N 3.03Å; S74-H190 PolarHBondContact OG-CE1 3.35Å |
| 75 | L | 97.5 | Very high | 96.1 | Very high | 5 Ų | 5 | 19.4 Ų | 19.4 | 3% | 0.026 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -68.2 | -41 | 175.9 | -175.7 | 61.3 | 0 | 0 | 0 | 111.8 | E71 F73 V77 N78 F79 A105 A108 T109 A151 T153 | E71-L75 VanDerWaalsContact O-CB 3.32Å; E71-L75 WeakPolarHBondContact O-CB 3.28Å; E71-L75 PolarHBondContact O-N 3.32Å; F73-L75 VanDerWaalsContact C-N 3.32Å; F73-L75 PolarHBondContact O-N 2.77Å; L75-V77 VanDerWaalsContact C-N 3.34Å; L75-V77 PolarHBondContact O-N 3.28Å; L75-N78 WeakPolarHBondContact O-CB 3.39Å; L75-N78 PolarHBondContact O-N 3Å; L75-F79 HydrophobicContact CD1-CD1 4.33Å; L75-F79 HydrophobicContact CD1-CE1 3.67Å; L75-F79 HydrophobicContact CD1-CE2 4.19Å; L75-F79 HydrophobicContact CD1-CZ 3.6Å; L75-F79 HydrophobicContact CD2-CE2 4.15Å; L75-F79 HydrophobicContact CD2-CZ 4.01Å; L75-F79 HydrophobicContact CG-CD2 4.39Å; L75-F79 HydrophobicContact CG-CE1 4.21Å; L75-F79 HydrophobicContact CG-CE2 3.8Å; L75-F79 HydrophobicContact CG-CZ 3.7Å; L75-F79 WeakPolarHBondContact O-CG 3.35Å; L75-F79 PolarHBondContact O-N 3Å; L75-A105 HydrophobicContact CB-CB 4.03Å; L75-A105 HydrophobicContact CD2-CB 4.1Å; L75-A105 HydrophobicContact CG-CB 4Å; L75-A108 HydrophobicContact CD2-CB 3.93Å; L75-T109 HydrophobicContact CD2-CG2 3.62Å; L75-A151 HydrophobicContact CD1-CB 3.74Å; L75-T153 HydrophobicContact CB-CG2 4.21Å; L75-T153 HydrophobicContact CD1-CG2 4.36Å |
| 76 | A | 98.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -59.9 | -44.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L59 T72 F73 F79 L80 F102 A105 | L59-A76 HydrophobicContact CD1-CB 4.42Å; T72-A76 WeakPolarHBondContact O-CB 3.38Å; T72-A76 PolarHBondContact O-N 3.1Å; F73-A76 WeakPolarHBondContact O-CB 3.33Å; F73-A76 PolarHBondContact O-N 3.08Å; A76-F79 PolarHBondContact O-N 2.97Å; A76-L80 WeakPolarHBondContact O-CB 3.46Å; A76-L80 PolarHBondContact O-N 3.39Å; A76-F102 HydrophobicContact CB-CB 4.32Å; A76-F102 HydrophobicContact CB-CD2 3.94Å; A76-A105 HydrophobicContact CB-CB 3.83Å |
| 77 | V | 98.1 | Very high | 96.6 | Very high | 4 Ų | 4 | 20.6 Ų | 20.6 | 2% | 0.024 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62.8 | -43.5 | 175.1 | 174.7 | 0 | 0 | 0 | 0 | 110.7 | R52 V56 F73 S74 L75 F79 L80 D81 H190 | R52-V77 VanDerWaalsContact NH2-CG1 3.34Å; V56-V77 HydrophobicContact CG1-CG2 3.73Å; V56-V77 HydrophobicContact CG2-CG2 4.24Å; F73-V77 HydrophobicContact CD2-CG2 4.25Å; F73-V77 HydrophobicContact CE1-CG2 4.3Å; F73-V77 HydrophobicContact CE2-CG2 3.79Å; F73-V77 HydrophobicContact CZ-CG2 3.83Å; F73-V77 WeakPolarHBondContact O-CG2 3.47Å; F73-V77 PolarHBondContact O-N 3Å; S74-V77 PolarHBondContact O-N 3.24Å; L75-V77 VanDerWaalsContact C-N 3.34Å; L75-V77 PolarHBondContact O-N 3.28Å; V77-F79 PolarHBondContact O-N 3.5Å; V77-L80 PolarHBondContact O-N 3.37Å; V77-D81 WeakPolarHBondContact CG1-OD2 3.12Å; V77-D81 PolarHBondContact O-N 3.3Å; V77-H190 HydrophobicContact CG1-CB 4.35Å; V77-H190 HydrophobicContact CG2-CB 4.33Å |
| 78 | N | 97.2 | Very high | 96.6 | Very high | 17 Ų | 17 | 27.9 Ų | 27.9 | 9% | 0.091 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -57.4 | -46.5 | 175.2 | -177.4 | -89.9 | 0 | 0 | 0 | 112.2 | C27 S74 L75 R82 A151 | C27-N78 PolarHBondContact O-ND2 3.41Å; S74-N78 PolarHBondContact O-N 3.03Å; L75-N78 WeakPolarHBondContact O-CB 3.39Å; L75-N78 PolarHBondContact O-N 3Å; N78-R82 VanDerWaalsContact O-CB 3.31Å; N78-R82 WeakPolarHBondContact O-CB 3.48Å; N78-R82 WeakPolarHBondContact O-CD 2.95Å; N78-R82 WeakPolarHBondContact O-CG 3.36Å; N78-R82 PolarHBondContact O-N 2.95Å; N78-R82 WeakPolarHBondContact OD1-CD 3.32Å; N78-R82 PolarHBondContact OD1-NH1 3.07Å; N78-R82 VanDerWaalsContact OD1-NH1 3.1Å; N78-A151 WeakPolarHBondContact OD1-CB 3.47Å |
| 79 | F | 97.9 | Very high | 96.5 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 0% | 0.004 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.6 | -46.1 | 176.7 | -68.3 | -19.9 | 0 | 0 | 0 | 112 | L75 A76 V77 R82 F83 C101 L104 A105 L145 V149 A151 | L75-F79 HydrophobicContact CD1-CD1 4.33Å; L75-F79 HydrophobicContact CD1-CE1 3.67Å; L75-F79 HydrophobicContact CD1-CE2 4.19Å; L75-F79 HydrophobicContact CD1-CZ 3.6Å; L75-F79 HydrophobicContact CD2-CE2 4.15Å; L75-F79 HydrophobicContact CD2-CZ 4.01Å; L75-F79 HydrophobicContact CG-CD2 4.39Å; L75-F79 HydrophobicContact CG-CE1 4.21Å; L75-F79 HydrophobicContact CG-CE2 3.8Å; L75-F79 HydrophobicContact CG-CZ 3.7Å; L75-F79 WeakPolarHBondContact O-CG 3.35Å; L75-F79 PolarHBondContact O-N 3Å; A76-F79 PolarHBondContact O-N 2.97Å; V77-F79 PolarHBondContact O-N 3.5Å; F79-R82 PolarHBondContact O-N 2.97Å; F79-F83 VanDerWaalsContact O-CB 3.23Å; F79-F83 WeakPolarHBondContact O-CB 3.2Å; F79-F83 PolarHBondContact O-N 2.98Å; F79-C101 HydrophobicContact CB-CB 3.91Å; F79-L104 HydrophobicContact CD2-CB 4.03Å; F79-L104 HydrophobicContact CE2-CB 3.9Å; F79-A105 HydrophobicContact CD2-CB 4.41Å; F79-A105 HydrophobicContact CE2-CB 4.28Å; F79-L145 HydrophobicContact CB-CD1 4.16Å; F79-L145 HydrophobicContact CD1-CD1 3.71Å; F79-L145 HydrophobicContact CE1-CD1 4.44Å; F79-L145 HydrophobicContact CG-CD1 4.12Å; F79-V149 WeakPolarHBondContact CE1-O 3.39Å; F79-V149 HydrophobicContact CZ-CB 4.04Å; F79-V149 HydrophobicContact CZ-CG1 4.35Å; F79-V149 VanDerWaalsContact CZ-O 3.25Å; F79-V149 WeakPolarHBondContact CZ-O 3.41Å; F79-A151 HydrophobicContact CE1-CB 4.43Å |
| 80 | L | 98 | Very high | 96.3 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -57.8 | -52.7 | 178.6 | -178.8 | 62 | 0 | 0 | 0 | 111.1 | E55 V56 L59 A76 V77 R82 F83 L84 L94 V97 C101 | E55-L80 HydrophobicContact CG-CD2 4.18Å; V56-L80 HydrophobicContact CG2-CD2 3.76Å; L59-L80 HydrophobicContact CD1-CD2 4.42Å; A76-L80 WeakPolarHBondContact O-CB 3.46Å; A76-L80 PolarHBondContact O-N 3.39Å; V77-L80 PolarHBondContact O-N 3.37Å; L80-R82 PolarHBondContact O-N 3.17Å; L80-F83 PolarHBondContact O-N 3.36Å; L80-L84 HydrophobicContact CD1-CD1 3.76Å; L80-L84 HydrophobicContact CD1-CD2 4.43Å; L80-L84 HydrophobicContact CD1-CG 3.9Å; L80-L84 HydrophobicContact CG-CD1 3.83Å; L80-L84 HydrophobicContact CG-CG 4.28Å; L80-L84 WeakPolarHBondContact O-CB 3.26Å; L80-L84 VanDerWaalsContact O-CG 3.27Å; L80-L84 WeakPolarHBondContact O-CG 3.41Å; L80-L84 PolarHBondContact O-N 2.83Å; L80-L94 HydrophobicContact CD1-CD1 4.45Å; L80-V97 HydrophobicContact CD1-CG1 3.87Å; L80-C101 HydrophobicContact CB-CB 4.42Å |
| 81 | D | 97.2 | Very high | 96 | Very high | 6 Ų | 6 | 28.3 Ų | 28.3 | 3% | 0.032 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -68.7 | -37.1 | -175.9 | -66.8 | -35.2 | 0 | 0 | 0 | 112.5 | P29 L34 R52 V77 F83 S85 S196 | P29-D81 HydrophobicContact CB-CB 4.18Å; P29-D81 HydrophobicContact CG-CB 4.34Å; L34-D81 HydrophobicContact CD2-CB 4.48Å; R52-D81 IonicContact CZ-OD1 3.85Å; R52-D81 IonicContact CZ-OD2 2.79Å; R52-D81 IonicContact NE-OD1 3.38Å; R52-D81 PolarHBondContact NE-OD1 2.85Å; R52-D81 IonicContact NE-OD2 2.72Å; R52-D81 IonicContact NH2-OD1 2.78Å; R52-D81 PolarHBondContact NH2-OD1 3.47Å; R52-D81 IonicContact NH2-OD2 3.56Å; R52-D81 PolarHBondContact NH2-OD2 3.38Å; V77-D81 WeakPolarHBondContact CG1-OD2 3.12Å; V77-D81 PolarHBondContact O-N 3.3Å; D81-F83 VanDerWaalsContact C-N 3.31Å; D81-F83 PolarHBondContact O-N 3.19Å; D81-S85 WeakPolarHBondContact O-CB 3.35Å; D81-S85 PolarHBondContact O-N 3.09Å; D81-S85 PolarHBondContact O-OG 2.87Å; D81-S196 WeakPolarHBondContact OD2-CB 3.42Å; D81-S196 PolarHBondContact OD2-OG 3.45Å |
| 82 | R | 96.5 | Very high | 95.7 | Very high | 6 Ų | 6 | 34.3 Ų | 34.3 | 2% | 0.023 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66.1 | -35.6 | 173.8 | -73.1 | 166.1 | 68.2 | -158.8 | -6.8 | 112.1 | C27 P29 N78 F79 L80 S85 K86 L145 K148 | C27-R82 VanDerWaalsContact O-CD 3.32Å; C27-R82 WeakPolarHBondContact O-CD 3.32Å; P29-R82 HydrophobicContact CB-CG 4.26Å; N78-R82 VanDerWaalsContact O-CB 3.31Å; N78-R82 WeakPolarHBondContact O-CB 3.48Å; N78-R82 WeakPolarHBondContact O-CD 2.95Å; N78-R82 WeakPolarHBondContact O-CG 3.36Å; N78-R82 PolarHBondContact O-N 2.95Å; N78-R82 WeakPolarHBondContact OD1-CD 3.32Å; N78-R82 PolarHBondContact OD1-NH1 3.07Å; N78-R82 VanDerWaalsContact OD1-NH1 3.1Å; F79-R82 PolarHBondContact O-N 2.97Å; L80-R82 PolarHBondContact O-N 3.17Å; R82-S85 WeakPolarHBondContact CA-OG 3.48Å; R82-S85 PolarHBondContact O-OG 2.94Å; R82-S85 VanDerWaalsContact O-OG 3.06Å; R82-K86 WeakPolarHBondContact O-CG 3.28Å; R82-L145 HydrophobicContact CB-CD2 3.56Å; R82-K148 PolarHBondContact NH1-O 3.24Å; R82-K148 PolarHBondContact NH2-O 3.43Å; R82-K148 VanDerWaalsContact NH2-O 3.09Å |
| 83 | F | 97.2 | Very high | 95.6 | Very high | 6 Ų | 6 | 38.4 Ų | 38.4 | 3% | 0.026 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -71.9 | -51.6 | 177 | -175.4 | -98.8 | 0 | 0 | 0 | 111.3 | F79 L80 D81 S85 K86 M87 V89 V97 M137 I140 I141 K144 | F79-F83 VanDerWaalsContact O-CB 3.23Å; F79-F83 WeakPolarHBondContact O-CB 3.2Å; F79-F83 PolarHBondContact O-N 2.98Å; L80-F83 PolarHBondContact O-N 3.36Å; D81-F83 VanDerWaalsContact C-N 3.31Å; D81-F83 PolarHBondContact O-N 3.19Å; F83-S85 VanDerWaalsContact C-N 3.27Å; F83-S85 PolarHBondContact O-N 2.84Å; F83-K86 PolarHBondContact O-N 3.33Å; F83-M87 HydrophobicContact CD1-CB 4.41Å; F83-M87 HydrophobicContact CD1-CG 4.5Å; F83-M87 HydrophobicContact CD2-CG 4.09Å; F83-M87 HydrophobicContact CE1-CB 4.09Å; F83-M87 HydrophobicContact CE1-CG 4.2Å; F83-M87 HydrophobicContact CE2-CG 3.75Å; F83-M87 HydrophobicContact CG-CG 4.47Å; F83-M87 HydrophobicContact CZ-CB 4.16Å; F83-M87 HydrophobicContact CZ-CG 3.82Å; F83-M87 WeakPolarHBondContact O-CB 3.34Å; F83-M87 PolarHBondContact O-N 3.01Å; F83-V89 HydrophobicContact CD1-CG2 4.14Å; F83-V89 HydrophobicContact CE1-CG2 3.65Å; F83-V97 HydrophobicContact CD1-CG1 3.46Å; F83-V97 VanDerWaalsContact CD1-CG1 3.46Å; F83-V97 HydrophobicContact CE1-CB 4.48Å; F83-V97 HydrophobicContact CE1-CG1 3.68Å; F83-V97 HydrophobicContact CE1-CG2 3.88Å; F83-V97 HydrophobicContact CG-CG1 4.42Å; F83-M137 HydrophobicContact CZ-SD 4.22Å; F83-I140 HydrophobicContact CE2-CG2 4.04Å; F83-I140 HydrophobicContact CZ-CG2 4.13Å; F83-I141 HydrophobicContact CD2-CB 4.19Å; F83-I141 HydrophobicContact CD2-CG1 3.73Å; F83-I141 HydrophobicContact CD2-CG2 4.35Å; F83-I141 HydrophobicContact CE2-CB 4.33Å; F83-I141 HydrophobicContact CE2-CG1 3.73Å; F83-I141 HydrophobicContact CG-CG1 4.14Å; F83-I141 HydrophobicContact CZ-CG1 4.13Å; F83-K144 HydrophobicContact CD2-CB 4.07Å; F83-K144 HydrophobicContact CE2-CB 4.05Å; F83-K144 HydrophobicContact CE2-CG 4Å |
| 84 | L | 96.5 | Very high | 95.5 | Very high | 7 Ų | 7 | 38.8 Ų | 38.8 | 4% | 0.037 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.5 | -35 | 178.8 | -68.2 | -178.8 | 0 | 0 | 0 | 112.3 | I37 M47 R52 L80 K86 M87 V89 L94 | I37-L84 HydrophobicContact CD1-CB 3.75Å; M47-L84 HydrophobicContact CE-CD1 4.41Å; M47-L84 HydrophobicContact CG-CD2 4.26Å; R52-L84 HydrophobicContact CB-CD1 4.32Å; R52-L84 HydrophobicContact CG-CD1 3.92Å; L80-L84 HydrophobicContact CD1-CD1 3.76Å; L80-L84 HydrophobicContact CD1-CD2 4.43Å; L80-L84 HydrophobicContact CD1-CG 3.9Å; L80-L84 HydrophobicContact CG-CD1 3.83Å; L80-L84 HydrophobicContact CG-CG 4.28Å; L80-L84 WeakPolarHBondContact O-CB 3.26Å; L80-L84 VanDerWaalsContact O-CG 3.27Å; L80-L84 WeakPolarHBondContact O-CG 3.41Å; L80-L84 PolarHBondContact O-N 2.83Å; L84-K86 PolarHBondContact O-N 3.45Å; L84-M87 VanDerWaalsContact O-O 3.13Å; L84-V89 HydrophobicContact CD2-CB 3.93Å; L84-V89 HydrophobicContact CD2-CG1 4.4Å; L84-V89 HydrophobicContact CD2-CG2 3.74Å; L84-L94 HydrophobicContact CD1-CD1 4.47Å; L84-L94 HydrophobicContact CD2-CD1 4.41Å |
| 85 | S | 95.6 | Very high | 95.3 | Very high | 9 Ų | 9 | 39.2 Ų | 39.2 | 6% | 0.063 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -13.6 | 176.2 | 62.4 | 0 | 0 | 0 | 0 | 114.4 | P29 K30 G33 D81 R82 F83 | P29-S85 WeakPolarHBondContact CB-OG 3.3Å; K30-S85 PolarHBondContact N-OG 3.13Å; K30-S85 WeakPolarHBondContact O-CB 3.31Å; G33-S85 WeakPolarHBondContact CA-O 3.44Å; D81-S85 WeakPolarHBondContact O-CB 3.35Å; D81-S85 PolarHBondContact O-N 3.09Å; D81-S85 PolarHBondContact O-OG 2.87Å; R82-S85 WeakPolarHBondContact CA-OG 3.48Å; R82-S85 PolarHBondContact O-OG 2.94Å; R82-S85 VanDerWaalsContact O-OG 3.06Å; F83-S85 VanDerWaalsContact C-N 3.27Å; F83-S85 PolarHBondContact O-N 2.84Å |
| 86 | K | 94.6 | Very high | 95.3 | Very high | 85 Ų | 85 | 39.6 Ų | 39.6 | 37% | 0.37 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | -24.3 | 177 | -68.4 | -178.3 | -173.2 | -173.1 | 0 | 113.4 | K30 R82 F83 L84 K144 | K30-K86 HydrophobicContact CD-CG 4.09Å; K30-K86 HydrophobicContact CG-CG 4.4Å; R82-K86 WeakPolarHBondContact O-CG 3.28Å; F83-K86 PolarHBondContact O-N 3.33Å; L84-K86 PolarHBondContact O-N 3.45Å; K86-K144 WeakPolarHBondContact CD-O 3.38Å; K86-K144 PolarHBondContact NZ-O 3.17Å |
| 87 | M | 94.8 | Very high | 95.3 | Very high | 62 Ų | 62 | 39.7 Ų | 39.7 | 31% | 0.305 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -120.8 | 137.9 | -167.9 | -63.4 | -59.7 | -67.3 | 0 | 0 | 111.9 | F83 L84 V89 K144 | F83-M87 HydrophobicContact CD1-CB 4.41Å; F83-M87 HydrophobicContact CD1-CG 4.5Å; F83-M87 HydrophobicContact CD2-CG 4.09Å; F83-M87 HydrophobicContact CE1-CB 4.09Å; F83-M87 HydrophobicContact CE1-CG 4.2Å; F83-M87 HydrophobicContact CE2-CG 3.75Å; F83-M87 HydrophobicContact CG-CG 4.47Å; F83-M87 HydrophobicContact CZ-CB 4.16Å; F83-M87 HydrophobicContact CZ-CG 3.82Å; F83-M87 WeakPolarHBondContact O-CB 3.34Å; F83-M87 PolarHBondContact O-N 3.01Å; L84-M87 VanDerWaalsContact O-O 3.13Å; M87-V89 HydrophobicContact CB-CG2 4.13Å; M87-V89 PolarHBondContact O-N 2.86Å; M87-V89 VanDerWaalsContact O-N 3.09Å; M87-K144 HydrophobicContact CE-CD 4.39Å; M87-K144 HydrophobicContact CE-CG 4.44Å; M87-K144 HydrophobicContact CG-CG 4.16Å; M87-K144 HydrophobicContact SD-CD 3.62Å; M87-K144 VanDerWaalsContact SD-CE 3.59Å; M87-K144 HydrophobicContact SD-CG 3.79Å |
| 88 | K | 91.7 | Very high | 95.3 | Very high | 214 Ų | 214 | 39.5 Ų | 39.5 | 93% | 0.93 | 19% | 0.188 | S | C | * | . | trans | -80.9 | 86.5 | 169.8 | -67.6 | -178.9 | -179.6 | 177.6 | 0 | 109.4 | ||||
| 89 | V | 93.2 | Very high | 95.4 | Very high | 18 Ų | 18 | 38.7 Ų | 38.7 | 11% | 0.109 | 18% | 0.183 | C | C | . | . | trans | -81.7 | 139.5 | 176.9 | 179.6 | 0 | 0 | 0 | 0 | 109.7 | M47 F83 L84 M87 H93 V97 | M47-V89 HydrophobicContact CG-CB 3.96Å; M47-V89 HydrophobicContact CG-CG1 4.4Å; M47-V89 WeakPolarHBondContact CG-O 3.5Å; M47-V89 HydrophobicContact SD-CG1 4.41Å; F83-V89 HydrophobicContact CD1-CG2 4.14Å; F83-V89 HydrophobicContact CE1-CG2 3.65Å; L84-V89 HydrophobicContact CD2-CB 3.93Å; L84-V89 HydrophobicContact CD2-CG1 4.4Å; L84-V89 HydrophobicContact CD2-CG2 3.74Å; M87-V89 HydrophobicContact CB-CG2 4.13Å; M87-V89 PolarHBondContact O-N 2.86Å; M87-V89 VanDerWaalsContact O-N 3.09Å; V89-H93 HydrophobicContact CG1-CB 4.25Å; V89-V97 HydrophobicContact CG1-CG2 4.1Å; V89-V97 HydrophobicContact CG2-CG2 4.42Å | ||
| 90 | Q | 90.8 | Very high | 95.4 | Very high | 96 Ų | 96 | 38.6 Ų | 38.6 | 45% | 0.449 | 18% | 0.183 | S | C | . | . | trans | -86.7 | 142.4 | 168.6 | -65.8 | -177.4 | 7.4 | 0 | 0 | 109.2 | K92 H93 | Q90-K92 HydrophobicContact CB-CG 4.18Å; Q90-K92 PolarHBondContact O-N 3.38Å; Q90-H93 PolarHBondContact O-N 3.41Å | ||
| 91 | P | 91.8 | Very high | 95.4 | Very high | 30 Ų | 30 | 38.6 Ų | 38.6 | 20% | 0.195 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -49.5 | -37.3 | -178.8 | -32.7 | 38.4 | 0 | 0 | 0 | 114.7 | R46 L51 H93 L94 | R46-P91 WeakPolarHBondContact O-CG 3.29Å; L51-P91 HydrophobicContact CD1-CB 3.82Å; L51-P91 HydrophobicContact CD1-CG 3.68Å; P91-H93 PolarHBondContact O-N 3.14Å; P91-H93 VanDerWaalsContact O-N 3.11Å; P91-L94 WeakPolarHBondContact O-CB 3.14Å; P91-L94 PolarHBondContact O-N 3.37Å |
| 92 | K | 90.6 | Very high | 95.5 | Very high | 153 Ų | 153 | 38.3 Ų | 38.3 | 67% | 0.665 | 18% | 0.182 | S | C | * | . | G | 310 helix | trans | -60.4 | -21.3 | 178.3 | 73.3 | -172.2 | -170.3 | -162.8 | 0 | 114.9 | Q90 | Q90-K92 HydrophobicContact CB-CG 4.18Å; Q90-K92 PolarHBondContact O-N 3.38Å |
| 93 | H | 94.4 | Very high | 95.5 | Very high | 86 Ų | 86 | 39.2 Ų | 39.2 | 40% | 0.398 | 19% | 0.185 | S | C | . | . | G | 310 helix | trans | -98.7 | -5.1 | 179 | -61.8 | -52.1 | 0 | 0 | 0 | 112.8 | V89 Q90 P91 G95 C96 V97 | V89-H93 HydrophobicContact CG1-CB 4.25Å; Q90-H93 PolarHBondContact O-N 3.41Å; P91-H93 PolarHBondContact O-N 3.14Å; P91-H93 VanDerWaalsContact O-N 3.11Å; H93-G95 PolarHBondContact O-N 2.77Å; H93-C96 PolarHBondContact O-N 2.6Å; H93-C96 VanDerWaalsContact O-N 3.13Å; H93-V97 WeakPolarHBondContact O-CG2 3.32Å; H93-V97 PolarHBondContact O-N 2.96Å |
| 94 | L | 95.2 | Very high | 95.6 | Very high | 8 Ų | 8 | 39.7 Ų | 39.7 | 4% | 0.042 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -57.6 | -48.2 | -173.4 | -178.8 | 60.5 | 0 | 0 | 0 | 112.2 | M47 L51 E55 L80 L84 P91 C96 V97 G98 | M47-L94 HydrophobicContact CE-CD1 3.56Å; M47-L94 HydrophobicContact CE-CD2 3.61Å; M47-L94 HydrophobicContact CE-CG 4.12Å; M47-L94 HydrophobicContact SD-CB 4.27Å; M47-L94 HydrophobicContact SD-CD1 3.98Å; M47-L94 HydrophobicContact SD-CD2 4.14Å; M47-L94 HydrophobicContact SD-CG 4.36Å; L51-L94 HydrophobicContact CB-CD2 3.99Å; L51-L94 WeakPolarHBondContact O-CD2 3.39Å; E55-L94 HydrophobicContact CB-CD1 4.28Å; E55-L94 HydrophobicContact CB-CD2 3.83Å; E55-L94 HydrophobicContact CB-CG 3.94Å; E55-L94 HydrophobicContact CG-CD1 4.12Å; E55-L94 HydrophobicContact CG-CD2 4.37Å; E55-L94 HydrophobicContact CG-CG 3.91Å; L80-L94 HydrophobicContact CD1-CD1 4.45Å; L84-L94 HydrophobicContact CD1-CD1 4.47Å; L84-L94 HydrophobicContact CD2-CD1 4.41Å; P91-L94 WeakPolarHBondContact O-CB 3.14Å; P91-L94 PolarHBondContact O-N 3.37Å; L94-C96 VanDerWaalsContact C-N 3.27Å; L94-C96 PolarHBondContact O-N 3.02Å; L94-V97 CarbonylContact O-C 3.58Å; L94-V97 WeakPolarHBondContact O-CB 3.47Å; L94-V97 PolarHBondContact O-N 3.36Å; L94-V97 VanDerWaalsContact O-N 3.08Å; L94-G98 PolarHBondContact O-N 3.35Å |
| 95 | G | 95 | Very high | 95.6 | Very high | 10 Ų | 10 | 39.3 Ų | 39.3 | 10% | 0.103 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.9 | -34.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | H93 L99 | H93-G95 PolarHBondContact O-N 2.77Å; G95-L99 VanDerWaalsContact O-CB 3.23Å; G95-L99 WeakPolarHBondContact O-CB 3.44Å; G95-L99 PolarHBondContact O-N 2.87Å |
| 96 | C | 97.3 | Very high | 95.7 | Very high | 13 Ų | 13 | 38.9 Ų | 38.9 | 9% | 0.088 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -70.3 | -40.6 | 175 | -174.2 | 0 | 0 | 0 | 0 | 111.5 | H93 L94 S100 F129 | H93-C96 PolarHBondContact O-N 2.6Å; H93-C96 VanDerWaalsContact O-N 3.13Å; L94-C96 VanDerWaalsContact C-N 3.27Å; L94-C96 PolarHBondContact O-N 3.02Å; C96-S100 WeakPolarHBondContact O-CB 3.28Å; C96-S100 PolarHBondContact O-N 3.1Å; C96-S100 PolarHBondContact O-OG 3.42Å; C96-F129 HydrophobicContact CB-CD1 3.67Å; C96-F129 HydrophobicContact CB-CE1 3.7Å; C96-F129 HydrophobicContact CB-CG 4.11Å; C96-F129 HydrophobicContact CB-CZ 4.17Å |
| 97 | V | 98.3 | Very high | 95.8 | Very high | 2 Ų | 2 | 38.9 Ų | 38.9 | 1% | 0.012 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.9 | -51 | 175.2 | 173 | 0 | 0 | 0 | 0 | 110.8 | L80 F83 V89 H93 L94 S100 C101 M137 | L80-V97 HydrophobicContact CD1-CG1 3.87Å; F83-V97 HydrophobicContact CD1-CG1 3.46Å; F83-V97 VanDerWaalsContact CD1-CG1 3.46Å; F83-V97 HydrophobicContact CE1-CB 4.48Å; F83-V97 HydrophobicContact CE1-CG1 3.68Å; F83-V97 HydrophobicContact CE1-CG2 3.88Å; F83-V97 HydrophobicContact CG-CG1 4.42Å; V89-V97 HydrophobicContact CG1-CG2 4.1Å; V89-V97 HydrophobicContact CG2-CG2 4.42Å; H93-V97 WeakPolarHBondContact O-CG2 3.32Å; H93-V97 PolarHBondContact O-N 2.96Å; L94-V97 CarbonylContact O-C 3.58Å; L94-V97 WeakPolarHBondContact O-CB 3.47Å; L94-V97 PolarHBondContact O-N 3.36Å; L94-V97 VanDerWaalsContact O-N 3.08Å; V97-S100 PolarHBondContact O-N 3.5Å; V97-C101 PolarHBondContact O-N 3Å; V97-C101 PolarHBondContact O-SG 2.94Å; V97-C101 VanDerWaalsContact O-SG 3.35Å; V97-M137 HydrophobicContact CG2-CE 3.77Å; V97-M137 HydrophobicContact CG2-CG 4.3Å; V97-M137 HydrophobicContact CG2-SD 3.73Å |
| 98 | G | 98.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.9 | -47.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | E55 L94 S100 C101 F102 | E55-G98 WeakPolarHBondContact OE1-CA 3.32Å; L94-G98 PolarHBondContact O-N 3.35Å; G98-S100 VanDerWaalsContact C-N 3.3Å; G98-S100 PolarHBondContact O-N 3.06Å; G98-C101 WeakPolarHBondContact O-CB 3.29Å; G98-C101 PolarHBondContact O-N 3Å; G98-F102 WeakPolarHBondContact O-CB 3.47Å; G98-F102 PolarHBondContact O-N 3.42Å |
| 99 | L | 98 | Very high | 96 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64 | -35 | 176.2 | -159.9 | 73.4 | 0 | 0 | 0 | 112.6 | L62 G95 F102 Y103 L121 I122 Y127 F129 M134 | L62-L99 HydrophobicContact CD1-CD1 3.61Å; G95-L99 VanDerWaalsContact O-CB 3.23Å; G95-L99 WeakPolarHBondContact O-CB 3.44Å; G95-L99 PolarHBondContact O-N 2.87Å; L99-F102 HydrophobicContact CD1-CD1 4.5Å; L99-F102 WeakPolarHBondContact O-CB 3.49Å; L99-F102 PolarHBondContact O-N 3.25Å; L99-Y103 WeakPolarHBondContact O-CB 3.45Å; L99-Y103 PolarHBondContact O-N 3.34Å; L99-L121 HydrophobicContact CD1-CD1 4.32Å; L99-L121 HydrophobicContact CD1-CD2 4.07Å; L99-L121 HydrophobicContact CD1-CG 3.85Å; L99-L121 HydrophobicContact CD2-CD2 4.19Å; L99-L121 HydrophobicContact CD2-CG 4.05Å; L99-L121 HydrophobicContact CG-CD2 3.87Å; L99-L121 HydrophobicContact CG-CG 4.02Å; L99-I122 HydrophobicContact CD2-CB 4.47Å; L99-I122 HydrophobicContact CD2-CG1 3.8Å; L99-Y127 HydrophobicContact CB-CD2 4.15Å; L99-Y127 HydrophobicContact CB-CE2 4.13Å; L99-Y127 HydrophobicContact CD1-CD2 4.29Å; L99-Y127 HydrophobicContact CD1-CE2 4.12Å; L99-Y127 HydrophobicContact CD2-CD2 4.13Å; L99-Y127 HydrophobicContact CG-CD2 4.42Å; L99-F129 HydrophobicContact CB-CZ 3.92Å; L99-F129 HydrophobicContact CD2-CE2 4.02Å; L99-F129 HydrophobicContact CD2-CZ 3.54Å; L99-F129 HydrophobicContact CG-CZ 4.36Å; L99-M134 HydrophobicContact CD2-SD 4Å; L99-M134 HydrophobicContact CG-SD 4.43Å |
| 100 | S | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -68.5 | -42.3 | 175.4 | -58.8 | 0 | 0 | 0 | 0 | 111.7 | C96 V97 G98 F102 Y103 L104 M134 M137 | C96-S100 WeakPolarHBondContact O-CB 3.28Å; C96-S100 PolarHBondContact O-N 3.1Å; C96-S100 PolarHBondContact O-OG 3.42Å; V97-S100 PolarHBondContact O-N 3.5Å; G98-S100 VanDerWaalsContact C-N 3.3Å; G98-S100 PolarHBondContact O-N 3.06Å; S100-F102 VanDerWaalsContact C-N 3.29Å; S100-F102 PolarHBondContact O-N 3.35Å; S100-Y103 PolarHBondContact O-N 2.83Å; S100-L104 WeakPolarHBondContact O-CB 3.17Å; S100-L104 WeakPolarHBondContact O-CG 3.44Å; S100-L104 PolarHBondContact O-N 3.01Å; S100-M134 WeakPolarHBondContact OG-CG 3.25Å; S100-M134 PolarHBondContact OG-O 3.26Å; S100-M137 WeakPolarHBondContact OG-CB 3.34Å; S100-M137 WeakPolarHBondContact OG-CG 3.48Å |
| 101 | C | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.3 | -42.5 | 171.8 | -73.5 | 0 | 0 | 0 | 0 | 111.5 | F79 L80 V97 G98 L104 A105 | F79-C101 HydrophobicContact CB-CB 3.91Å; L80-C101 HydrophobicContact CB-CB 4.42Å; V97-C101 PolarHBondContact O-N 3Å; V97-C101 PolarHBondContact O-SG 2.94Å; V97-C101 VanDerWaalsContact O-SG 3.35Å; G98-C101 WeakPolarHBondContact O-CB 3.29Å; G98-C101 PolarHBondContact O-N 3Å; C101-L104 PolarHBondContact O-N 3.33Å; C101-A105 PolarHBondContact O-N 3.46Å |
| 102 | F | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.8 | -46 | 176.6 | -175.8 | -108.7 | 0 | 0 | 0 | 112 | L59 L62 T63 F68 A76 G98 L99 S100 L104 A105 V106 L121 | L59-F102 HydrophobicContact CD1-CB 4.46Å; L59-F102 HydrophobicContact CD2-CB 3.83Å; L59-F102 HydrophobicContact CD2-CD2 4.4Å; L59-F102 HydrophobicContact CD2-CG 4.17Å; L62-F102 HydrophobicContact CB-CE1 3.99Å; L62-F102 HydrophobicContact CB-CZ 3.9Å; T63-F102 WeakPolarHBondContact OG1-CE2 3.46Å; F68-F102 HydrophobicContact CD2-CE1 4.12Å; F68-F102 HydrophobicContact CD2-CE2 4.43Å; F68-F102 AromaticContact CD2-CZ 3.6Å; F68-F102 HydrophobicContact CD2-CZ 3.6Å; F68-F102 AromaticContact CE2-CE1 3.95Å; F68-F102 HydrophobicContact CE2-CE1 3.95Å; F68-F102 AromaticContact CE2-CZ 3.92Å; F68-F102 HydrophobicContact CE2-CZ 3.92Å; A76-F102 HydrophobicContact CB-CB 4.32Å; A76-F102 HydrophobicContact CB-CD2 3.94Å; G98-F102 WeakPolarHBondContact O-CB 3.47Å; G98-F102 PolarHBondContact O-N 3.42Å; L99-F102 HydrophobicContact CD1-CD1 4.5Å; L99-F102 WeakPolarHBondContact O-CB 3.49Å; L99-F102 PolarHBondContact O-N 3.25Å; S100-F102 VanDerWaalsContact C-N 3.29Å; S100-F102 PolarHBondContact O-N 3.35Å; F102-L104 PolarHBondContact O-N 3.5Å; F102-A105 WeakPolarHBondContact O-CB 3.44Å; F102-A105 PolarHBondContact O-N 3.49Å; F102-A105 VanDerWaalsContact O-N 3.14Å; F102-V106 HydrophobicContact CD1-CG2 4.23Å; F102-V106 HydrophobicContact CE1-CG2 4.01Å; F102-V106 HydrophobicContact CZ-CG2 4.2Å; F102-V106 WeakPolarHBondContact O-CG2 3.33Å; F102-V106 PolarHBondContact O-N 2.99Å; F102-L121 HydrophobicContact CD1-CD1 4.05Å; F102-L121 HydrophobicContact CD1-CD2 4.37Å; F102-L121 HydrophobicContact CE1-CD1 3.89Å |
| 103 | Y | 97.9 | Very high | 96.2 | Very high | 24 Ų | 24 | 40.4 Ų | 40.4 | 9% | 0.094 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.5 | -36.9 | 179.1 | -165 | -132.2 | 0 | 0 | 0 | 112.8 | L99 S100 A105 V106 K107 I115 P116 A118 L121 M134 M135 E138 | L99-Y103 WeakPolarHBondContact O-CB 3.45Å; L99-Y103 PolarHBondContact O-N 3.34Å; S100-Y103 PolarHBondContact O-N 2.83Å; Y103-A105 VanDerWaalsContact C-N 3.32Å; Y103-A105 PolarHBondContact O-N 3.11Å; Y103-V106 PolarHBondContact O-N 2.57Å; Y103-K107 HydrophobicContact CD1-CD 4.36Å; Y103-K107 HydrophobicContact CE1-CD 4.08Å; Y103-K107 WeakPolarHBondContact O-CG 3.43Å; Y103-K107 PolarHBondContact O-N 3.19Å; Y103-I115 HydrophobicContact CE2-CG2 3.84Å; Y103-P116 WeakPolarHBondContact CE2-O 3.4Å; Y103-P116 PolarHBondContact OH-O 2.74Å; Y103-P116 VanDerWaalsContact OH-O 3.13Å; Y103-A118 HydrophobicContact CE1-CB 4.43Å; Y103-L121 HydrophobicContact CD2-CD2 3.59Å; Y103-L121 HydrophobicContact CE2-CD2 4.41Å; Y103-L121 HydrophobicContact CG-CD2 3.85Å; Y103-M134 HydrophobicContact CD1-CE 3.61Å; Y103-M134 HydrophobicContact CE1-CE 3.87Å; Y103-M134 HydrophobicContact CG-CE 4.22Å; Y103-M135 HydrophobicContact CE1-CE 4.02Å; Y103-E138 WeakPolarHBondContact CD1-OE1 3.33Å |
| 104 | L | 97.9 | Very high | 96 | Very high | 16 Ų | 16 | 39.6 Ų | 39.6 | 8% | 0.084 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.6 | -41.1 | 170.8 | -75.1 | 174.3 | 0 | 0 | 0 | 112 | F79 S100 C101 F102 A108 E138 I141 L142 | F79-L104 HydrophobicContact CD2-CB 4.03Å; F79-L104 HydrophobicContact CE2-CB 3.9Å; S100-L104 WeakPolarHBondContact O-CB 3.17Å; S100-L104 WeakPolarHBondContact O-CG 3.44Å; S100-L104 PolarHBondContact O-N 3.01Å; C101-L104 PolarHBondContact O-N 3.33Å; F102-L104 PolarHBondContact O-N 3.5Å; L104-A108 WeakPolarHBondContact O-CB 3.46Å; L104-A108 PolarHBondContact O-N 2.9Å; L104-E138 HydrophobicContact CD1-CB 4.49Å; L104-E138 HydrophobicContact CD2-CB 4.24Å; L104-E138 HydrophobicContact CD2-CG 4.26Å; L104-E138 VanDerWaalsContact CD2-OE1 3.32Å; L104-E138 WeakPolarHBondContact CD2-OE1 3.46Å; L104-E138 HydrophobicContact CG-CB 4.38Å; L104-E138 HydrophobicContact CG-CG 4.08Å; L104-E138 WeakPolarHBondContact CG-OE1 3.44Å; L104-I141 HydrophobicContact CD1-CB 4.05Å; L104-I141 HydrophobicContact CD1-CG2 3.69Å; L104-L142 HydrophobicContact CD1-CD2 4.23Å; L104-L142 HydrophobicContact CD1-CG 4.13Å; L104-L142 HydrophobicContact CD2-CD1 3.98Å; L104-L142 HydrophobicContact CD2-CD2 4.04Å; L104-L142 HydrophobicContact CD2-CG 4.04Å |
| 105 | A | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.1 | -47.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | T72 L75 A76 F79 C101 F102 Y103 K107 A108 T109 | T72-A105 HydrophobicContact CG2-CB 4.24Å; T72-A105 WeakPolarHBondContact O-CB 3.2Å; L75-A105 HydrophobicContact CB-CB 4.03Å; L75-A105 HydrophobicContact CD2-CB 4.1Å; L75-A105 HydrophobicContact CG-CB 4Å; A76-A105 HydrophobicContact CB-CB 3.83Å; F79-A105 HydrophobicContact CD2-CB 4.41Å; F79-A105 HydrophobicContact CE2-CB 4.28Å; C101-A105 PolarHBondContact O-N 3.46Å; F102-A105 WeakPolarHBondContact O-CB 3.44Å; F102-A105 PolarHBondContact O-N 3.49Å; F102-A105 VanDerWaalsContact O-N 3.14Å; Y103-A105 VanDerWaalsContact C-N 3.32Å; Y103-A105 PolarHBondContact O-N 3.11Å; A105-K107 VanDerWaalsContact C-N 3.3Å; A105-K107 PolarHBondContact O-N 3.3Å; A105-A108 WeakPolarHBondContact O-CA 3.41Å; A105-A108 WeakPolarHBondContact O-CB 3.3Å; A105-A108 PolarHBondContact O-N 3.15Å; A105-T109 PolarHBondContact O-N 3.44Å; A105-T109 PolarHBondContact O-OG1 2.99Å |
| 106 | V | 97.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -53.7 | -47.3 | 176.1 | 170 | 0 | 0 | 0 | 0 | 111.1 | F68 T72 F102 Y103 A108 T109 E110 I115 | F68-V106 HydrophobicContact CD2-CG2 3.64Å; F68-V106 HydrophobicContact CE1-CG1 4.43Å; F68-V106 HydrophobicContact CE2-CB 4.5Å; F68-V106 HydrophobicContact CE2-CG1 4.17Å; F68-V106 HydrophobicContact CE2-CG2 3.45Å; F68-V106 VanDerWaalsContact CE2-CG2 3.45Å; F68-V106 HydrophobicContact CG-CG2 4.45Å; F68-V106 HydrophobicContact CZ-CG1 3.99Å; F68-V106 HydrophobicContact CZ-CG2 4.13Å; T72-V106 HydrophobicContact CG2-CB 4.28Å; T72-V106 HydrophobicContact CG2-CG2 3.62Å; F102-V106 HydrophobicContact CD1-CG2 4.23Å; F102-V106 HydrophobicContact CE1-CG2 4.01Å; F102-V106 HydrophobicContact CZ-CG2 4.2Å; F102-V106 WeakPolarHBondContact O-CG2 3.33Å; F102-V106 PolarHBondContact O-N 2.99Å; Y103-V106 PolarHBondContact O-N 2.57Å; V106-A108 PolarHBondContact O-N 3.32Å; V106-T109 PolarHBondContact O-N 3.06Å; V106-E110 HydrophobicContact CB-CG 4.48Å; V106-E110 HydrophobicContact CG1-CB 4.24Å; V106-E110 HydrophobicContact CG1-CG 4.06Å; V106-E110 VanDerWaalsContact O-CB 3.3Å; V106-E110 WeakPolarHBondContact O-CB 3.37Å; V106-E110 PolarHBondContact O-N 3.44Å; V106-I115 HydrophobicContact CG1-CB 4.46Å; V106-I115 HydrophobicContact CG1-CG1 4.2Å; V106-I115 HydrophobicContact CG1-CG2 4.28Å |
| 107 | K | 96.1 | Very high | 95.7 | Very high | 85 Ų | 85 | 46.6 Ų | 46.6 | 37% | 0.37 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -64.5 | -21.1 | 177 | -73 | -175.4 | -67.7 | -173.1 | 0 | 114.3 | Y103 A105 I115 E138 | Y103-K107 HydrophobicContact CD1-CD 4.36Å; Y103-K107 HydrophobicContact CE1-CD 4.08Å; Y103-K107 WeakPolarHBondContact O-CG 3.43Å; Y103-K107 PolarHBondContact O-N 3.19Å; A105-K107 VanDerWaalsContact C-N 3.3Å; A105-K107 PolarHBondContact O-N 3.3Å; K107-I115 HydrophobicContact CG-CD1 4.25Å; K107-I115 HydrophobicContact CG-CG2 4.14Å; K107-E138 WeakPolarHBondContact CE-OE1 3.32Å; K107-E138 IonicContact NZ-OE1 2.85Å; K107-E138 PolarHBondContact NZ-OE1 3.09Å; K107-E138 IonicContact NZ-OE2 3.85Å; K107-E138 PolarHBondContact NZ-OE2 3.4Å |
| 108 | A | 95.3 | Very high | 95.5 | Very high | 59 Ų | 59 | 47 Ų | 47 | 49% | 0.488 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -92.4 | -26.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | L75 L104 A105 V106 | L75-A108 HydrophobicContact CD2-CB 3.93Å; L104-A108 WeakPolarHBondContact O-CB 3.46Å; L104-A108 PolarHBondContact O-N 2.9Å; A105-A108 WeakPolarHBondContact O-CA 3.41Å; A105-A108 WeakPolarHBondContact O-CB 3.3Å; A105-A108 PolarHBondContact O-N 3.15Å; V106-A108 PolarHBondContact O-N 3.32Å |
| 109 | T | 95.3 | Very high | 95.3 | Very high | 48 Ų | 48 | 50.7 Ų | 50.7 | 29% | 0.294 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -121.9 | -27.4 | -168.7 | 52.7 | 0 | 0 | 0 | 0 | 114 | E71 T72 L75 A105 V106 | E71-T109 HydrophobicContact CG-CG2 3.92Å; T72-T109 WeakPolarHBondContact CB-OG1 3.44Å; T72-T109 PolarHBondContact OG1-OG1 2.99Å; L75-T109 HydrophobicContact CD2-CG2 3.62Å; A105-T109 PolarHBondContact O-N 3.44Å; A105-T109 PolarHBondContact O-OG1 2.99Å; V106-T109 PolarHBondContact O-N 3.06Å |
| 110 | E | 95.5 | Very high | 95 | Very high | 15 Ų | 15 | 52.9 Ų | 52.9 | 7% | 0.07 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -90.1 | 152.7 | -178.5 | -58.5 | -63.3 | 157.7 | 0 | 0 | 111.8 | F68 H69 T72 V106 | F68-E110 WeakPolarHBondContact CB-OE1 3.3Å; F68-E110 HydrophobicContact CD1-CG 3.72Å; F68-E110 HydrophobicContact CE1-CG 4.16Å; F68-E110 HydrophobicContact CG-CG 4.15Å; H69-E110 IonicContact CE1-OE2 3Å; H69-E110 PolarHBondContact CE1-OE2 3.05Å; H69-E110 IonicContact CG-OE1 2.75Å; H69-E110 PolarHBondContact N-OE1 3.38Å; H69-E110 VanDerWaalsContact ND1-CD 3.27Å; H69-E110 IonicContact ND1-OE1 3.14Å; H69-E110 PolarHBondContact ND1-OE1 3.47Å; H69-E110 IonicContact ND1-OE2 3.67Å; H69-E110 PolarHBondContact ND1-OE2 2.95Å; T72-E110 WeakPolarHBondContact CB-OE1 3.43Å; T72-E110 HydrophobicContact CG2-CG 4.21Å; T72-E110 PolarHBondContact OG1-OE1 2.7Å; V106-E110 HydrophobicContact CB-CG 4.48Å; V106-E110 HydrophobicContact CG1-CB 4.24Å; V106-E110 HydrophobicContact CG1-CG 4.06Å; V106-E110 VanDerWaalsContact O-CB 3.3Å; V106-E110 WeakPolarHBondContact O-CB 3.37Å; V106-E110 PolarHBondContact O-N 3.44Å |
| 111 | E | 93.2 | Very high | 94.7 | Very high | 101 Ų | 101 | 52.9 Ų | 52.9 | 47% | 0.472 | 27% | 0.266 | S | S | . | . | trans | -62.8 | 144.9 | 173.1 | -60.9 | 179.5 | 168.1 | 0 | 0 | 111 | R113 N114 I115 | E111-R113 HydrophobicContact CB-CG 4.16Å; E111-R113 PolarHBondContact O-N 3.12Å; E111-R113 VanDerWaalsContact O-N 3.08Å; E111-R113 IonicContact OE1-NH2 3.61Å; E111-R113 IonicContact OE2-CZ 2.68Å; E111-R113 IonicContact OE2-NE 3.5Å; E111-R113 PolarHBondContact OE2-NE 3.31Å; E111-R113 IonicContact OE2-NH2 2.79Å; E111-R113 PolarHBondContact OE2-NH2 3.11Å; E111-N114 WeakPolarHBondContact O-CA 3.47Å; E111-N114 WeakPolarHBondContact O-CB 3.49Å; E111-N114 PolarHBondContact O-N 2.96Å; E111-I115 PolarHBondContact O-N 3.18Å | ||
| 112 | E | 91.6 | Very high | 94.4 | Very high | 177 Ų | 177 | 53.7 Ų | 53.7 | 83% | 0.827 | 27% | 0.271 | S | S | * | . | G | 310 helix | trans | -55.6 | -35.7 | -174.1 | -166.3 | 171.5 | -163 | 0 | 0 | 113.2 | N114 I115 | E112-N114 PolarHBondContact O-N 3.47Å; E112-I115 PolarHBondContact O-N 2.79Å |
| 113 | R | 90.3 | Very high | 94 | Very high | 204 Ų | 204 | 60.7 Ų | 60.7 | 77% | 0.77 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | -66.3 | -21.7 | 175.6 | 63.7 | 173.1 | 178.5 | 151.6 | 0.3 | 114.6 | E111 | E111-R113 HydrophobicContact CB-CG 4.16Å; E111-R113 PolarHBondContact O-N 3.12Å; E111-R113 VanDerWaalsContact O-N 3.08Å; E111-R113 IonicContact OE1-NH2 3.61Å; E111-R113 IonicContact OE2-CZ 2.68Å; E111-R113 IonicContact OE2-NE 3.5Å; E111-R113 PolarHBondContact OE2-NE 3.31Å; E111-R113 IonicContact OE2-NH2 2.79Å; E111-R113 PolarHBondContact OE2-NH2 3.11Å |
| 114 | N | 91.1 | Very high | 93.5 | Very high | 70 Ų | 70 | 60.4 Ų | 60.4 | 37% | 0.374 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -95.2 | -9.1 | -178.8 | -62.4 | -25.3 | 0 | 0 | 0 | 112 | E111 E112 P116 | E111-N114 WeakPolarHBondContact O-CA 3.47Å; E111-N114 WeakPolarHBondContact O-CB 3.49Å; E111-N114 PolarHBondContact O-N 2.96Å; E112-N114 PolarHBondContact O-N 3.47Å; N114-P116 WeakPolarHBondContact O-CD 3.19Å |
| 115 | I | 94.1 | Very high | 93.1 | Very high | 47 Ų | 47 | 60.7 Ų | 60.7 | 24% | 0.241 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -72.1 | 116.9 | 179.2 | -58.9 | 174.5 | 0 | 0 | 0 | 108.9 | Y103 V106 K107 E111 E112 | Y103-I115 HydrophobicContact CE2-CG2 3.84Å; V106-I115 HydrophobicContact CG1-CB 4.46Å; V106-I115 HydrophobicContact CG1-CG1 4.2Å; V106-I115 HydrophobicContact CG1-CG2 4.28Å; K107-I115 HydrophobicContact CG-CD1 4.25Å; K107-I115 HydrophobicContact CG-CG2 4.14Å; E111-I115 PolarHBondContact O-N 3.18Å; E112-I115 PolarHBondContact O-N 2.79Å |
| 116 | P | 93.1 | Very high | 92.7 | Very high | 18 Ų | 18 | 66.5 Ų | 66.5 | 12% | 0.117 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -74.4 | 158.2 | -178.9 | 31 | -32.8 | 0 | 0 | 0 | 110.6 | F66 F68 Y103 N114 L121 | F66-P116 HydrophobicContact CE1-CB 4.09Å; F66-P116 HydrophobicContact CE1-CG 4.27Å; F68-P116 HydrophobicContact CZ-CG 4.11Å; Y103-P116 WeakPolarHBondContact CE2-O 3.4Å; Y103-P116 PolarHBondContact OH-O 2.74Å; Y103-P116 VanDerWaalsContact OH-O 3.13Å; N114-P116 WeakPolarHBondContact O-CD 3.19Å; P116-L121 HydrophobicContact CG-CD1 4.24Å |
| 117 | L | 94.3 | Very high | 92.2 | Very high | 113 Ų | 113 | 68.8 Ų | 68.8 | 59% | 0.592 | 34% | 0.336 | S | S | * | . | P | Polyproline II helix | trans | -63.3 | 140.8 | 169.2 | -63.8 | 175.4 | 0 | 0 | 0 | 109.8 | T119 D120 L121 | L117-T119 PolarHBondContact O-N 3.31Å; L117-T119 VanDerWaalsContact O-N 3.13Å; L117-D120 HydrophobicContact CB-CB 4.47Å; L117-D120 WeakPolarHBondContact O-CB 3.11Å; L117-D120 PolarHBondContact O-N 2.95Å; L117-L121 PolarHBondContact O-N 3.06Å |
| 118 | A | 94.6 | Very high | 91.9 | Very high | 10 Ų | 10 | 76.8 Ų | 76.8 | 8% | 0.083 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -50.5 | -38.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y103 L121 I122 V131 M134 M135 | Y103-A118 HydrophobicContact CE1-CB 4.43Å; A118-L121 PolarHBondContact O-N 3Å; A118-I122 VanDerWaalsContact O-CG1 3.25Å; A118-I122 WeakPolarHBondContact O-CG1 3.45Å; A118-I122 PolarHBondContact O-N 3.31Å; A118-I122 VanDerWaalsContact O-N 3.1Å; A118-V131 HydrophobicContact CB-CG1 3.81Å; A118-V131 HydrophobicContact CB-CG2 4.12Å; A118-M134 HydrophobicContact CB-CE 3.29Å; A118-M135 HydrophobicContact CB-CE 3.73Å |
| 119 | T | 93.4 | Very high | 91.7 | Very high | 78 Ų | 78 | 75.7 Ų | 75.7 | 48% | 0.479 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.9 | -40 | 176.6 | 47.1 | 0 | 0 | 0 | 0 | 112.7 | L117 R123 V131 | L117-T119 PolarHBondContact O-N 3.31Å; L117-T119 VanDerWaalsContact O-N 3.13Å; T119-R123 VanDerWaalsContact O-CB 3.24Å; T119-R123 WeakPolarHBondContact O-CB 3.34Å; T119-R123 PolarHBondContact O-N 2.92Å; T119-V131 HydrophobicContact CG2-CG2 3.58Å |
| 120 | D | 91.5 | Very high | 91.8 | Very high | 45 Ų | 45 | 77 Ų | 77 | 24% | 0.241 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -72.2 | -42.4 | -180 | -70.3 | -36.9 | 0 | 0 | 0 | 110.9 | L117 I122 R123 I124 | L117-D120 HydrophobicContact CB-CB 4.47Å; L117-D120 WeakPolarHBondContact O-CB 3.11Å; L117-D120 PolarHBondContact O-N 2.95Å; D120-I122 PolarHBondContact O-N 2.83Å; D120-R123 PolarHBondContact O-N 3.16Å; D120-R123 IonicContact OD1-CZ 3.35Å; D120-R123 IonicContact OD1-NE 3.69Å; D120-R123 IonicContact OD1-NH2 2.77Å; D120-R123 PolarHBondContact OD1-NH2 3.3Å; D120-I124 HydrophobicContact CB-CD1 4.32Å; D120-I124 VanDerWaalsContact O-CB 3.31Å; D120-I124 WeakPolarHBondContact O-CB 3.27Å; D120-I124 WeakPolarHBondContact O-CD1 3.41Å; D120-I124 VanDerWaalsContact O-CG1 3.23Å; D120-I124 WeakPolarHBondContact O-CG1 3.48Å; D120-I124 PolarHBondContact O-N 3.17Å |
| 121 | L | 91.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 78.6 Ų | 78.6 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -59.6 | -45.7 | 177.7 | -168.7 | 70.4 | 0 | 0 | 0 | 111.7 | F66 L99 F102 Y103 P116 L117 A118 S125 M134 | F66-L121 HydrophobicContact CD2-CD1 4.41Å; F66-L121 HydrophobicContact CE2-CD1 3.6Å; F66-L121 HydrophobicContact CZ-CD1 3.86Å; L99-L121 HydrophobicContact CD1-CD1 4.32Å; L99-L121 HydrophobicContact CD1-CD2 4.07Å; L99-L121 HydrophobicContact CD1-CG 3.85Å; L99-L121 HydrophobicContact CD2-CD2 4.19Å; L99-L121 HydrophobicContact CD2-CG 4.05Å; L99-L121 HydrophobicContact CG-CD2 3.87Å; L99-L121 HydrophobicContact CG-CG 4.02Å; F102-L121 HydrophobicContact CD1-CD1 4.05Å; F102-L121 HydrophobicContact CD1-CD2 4.37Å; F102-L121 HydrophobicContact CE1-CD1 3.89Å; Y103-L121 HydrophobicContact CD2-CD2 3.59Å; Y103-L121 HydrophobicContact CE2-CD2 4.41Å; Y103-L121 HydrophobicContact CG-CD2 3.85Å; P116-L121 HydrophobicContact CG-CD1 4.24Å; L117-L121 PolarHBondContact O-N 3.06Å; A118-L121 PolarHBondContact O-N 3Å; L121-S125 WeakPolarHBondContact O-CB 3.48Å; L121-S125 PolarHBondContact O-N 3.23Å; L121-S125 PolarHBondContact O-OG 2.89Å; L121-M134 HydrophobicContact CD2-SD 4.48Å |
| 122 | I | 91.8 | Very high | 92 | Very high | 17 Ų | 17 | 77.1 Ų | 77.1 | 9% | 0.087 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -64.1 | -43.8 | 175.9 | -66.7 | 171.3 | 0 | 0 | 0 | 111 | L99 A118 D120 S125 Q126 F129 V131 M134 | L99-I122 HydrophobicContact CD2-CB 4.47Å; L99-I122 HydrophobicContact CD2-CG1 3.8Å; A118-I122 VanDerWaalsContact O-CG1 3.25Å; A118-I122 WeakPolarHBondContact O-CG1 3.45Å; A118-I122 PolarHBondContact O-N 3.31Å; A118-I122 VanDerWaalsContact O-N 3.1Å; D120-I122 PolarHBondContact O-N 2.83Å; I122-S125 WeakPolarHBondContact CA-OG 3.23Å; I122-S125 PolarHBondContact O-OG 3.24Å; I122-Q126 PolarHBondContact O-N 3.2Å; I122-Q126 VanDerWaalsContact O-N 3.14Å; I122-F129 HydrophobicContact CD1-CD2 3.91Å; I122-F129 HydrophobicContact CD1-CE2 3.71Å; I122-F129 HydrophobicContact CG1-CD2 4.19Å; I122-F129 HydrophobicContact CG1-CE2 3.58Å; I122-F129 HydrophobicContact CG1-CZ 4.28Å; I122-F129 HydrophobicContact CG2-CE2 4.44Å; I122-F129 WeakPolarHBondContact CG2-O 3.34Å; I122-V131 HydrophobicContact CD1-CB 4.47Å; I122-V131 HydrophobicContact CD1-CG2 3.92Å; I122-M134 HydrophobicContact CD1-CB 4.29Å; I122-M134 HydrophobicContact CD1-SD 4.13Å; I122-M134 HydrophobicContact CG1-SD 4.02Å |
| 123 | R | 90.1 | Very high | 92.2 | Very high | 147 Ų | 147 | 71.2 Ų | 71.2 | 56% | 0.555 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -63.6 | -44.5 | -179.8 | 179.9 | 177.7 | 62.9 | 169.5 | -0.6 | 112 | T119 D120 Q126 | T119-R123 VanDerWaalsContact O-CB 3.24Å; T119-R123 WeakPolarHBondContact O-CB 3.34Å; T119-R123 PolarHBondContact O-N 2.92Å; D120-R123 PolarHBondContact O-N 3.16Å; D120-R123 IonicContact OD1-CZ 3.35Å; D120-R123 IonicContact OD1-NE 3.69Å; D120-R123 IonicContact OD1-NH2 2.77Å; D120-R123 PolarHBondContact OD1-NH2 3.3Å; R123-Q126 PolarHBondContact O-N 3.39Å |
| 124 | I | 88.3 | Confident | 92.5 | Very high | 19 Ų | 19 | 61.5 Ų | 61.5 | 10% | 0.097 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -70.7 | -39.8 | -176.9 | -71.3 | 161.8 | 0 | 0 | 0 | 111.1 | L62 F65 F66 D120 Q126 L265 W267 | L62-I124 HydrophobicContact CD2-CG2 4.12Å; F65-I124 HydrophobicContact CD1-CG2 3.78Å; F65-I124 HydrophobicContact CE1-CD1 3.84Å; F65-I124 HydrophobicContact CE1-CG1 4.31Å; F65-I124 HydrophobicContact CE1-CG2 3.68Å; F65-I124 HydrophobicContact CG-CG2 4.4Å; F65-I124 HydrophobicContact CZ-CD1 4.47Å; F65-I124 HydrophobicContact CZ-CG2 4.18Å; F66-I124 HydrophobicContact CE1-CD1 3.71Å; F66-I124 HydrophobicContact CE2-CG2 4.11Å; F66-I124 HydrophobicContact CZ-CB 4.17Å; F66-I124 HydrophobicContact CZ-CD1 3.44Å; F66-I124 VanDerWaalsContact CZ-CD1 3.44Å; F66-I124 HydrophobicContact CZ-CG1 4.39Å; F66-I124 HydrophobicContact CZ-CG2 4Å; D120-I124 HydrophobicContact CB-CD1 4.32Å; D120-I124 VanDerWaalsContact O-CB 3.31Å; D120-I124 WeakPolarHBondContact O-CB 3.27Å; D120-I124 WeakPolarHBondContact O-CD1 3.41Å; D120-I124 VanDerWaalsContact O-CG1 3.23Å; D120-I124 WeakPolarHBondContact O-CG1 3.48Å; D120-I124 PolarHBondContact O-N 3.17Å; I124-Q126 PolarHBondContact O-N 3.4Å; I124-L265 HydrophobicContact CG2-CD1 3.57Å; I124-W267 HydrophobicContact CD1-CH2 4.45Å |
| 125 | S | 88.3 | Confident | 92.8 | Very high | 21 Ų | 21 | 61.9 Ų | 61.9 | 15% | 0.147 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -71.5 | -11.5 | 174.5 | 57.8 | 0 | 0 | 0 | 0 | 114 | L121 I122 Y127 | L121-S125 WeakPolarHBondContact O-CB 3.48Å; L121-S125 PolarHBondContact O-N 3.23Å; L121-S125 PolarHBondContact O-OG 2.89Å; I122-S125 WeakPolarHBondContact CA-OG 3.23Å; I122-S125 PolarHBondContact O-OG 3.24Å; S125-Y127 VanDerWaalsContact CB-CD2 3.44Å; S125-Y127 PolarHBondContact O-N 3.44Å; S125-Y127 VanDerWaalsContact O-N 3.12Å; S125-Y127 VanDerWaalsContact OG-CD2 3.24Å; S125-Y127 WeakPolarHBondContact OG-CD2 3.31Å |
| 126 | Q | 90.2 | Very high | 93 | Very high | 123 Ų | 123 | 66.1 Ų | 66.1 | 58% | 0.575 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.3 | 17 | -180 | -50.3 | -179.5 | 16.8 | 0 | 0 | 114.4 | I122 R123 I124 | I122-Q126 PolarHBondContact O-N 3.2Å; I122-Q126 VanDerWaalsContact O-N 3.14Å; R123-Q126 PolarHBondContact O-N 3.39Å; I124-Q126 PolarHBondContact O-N 3.4Å |
| 127 | Y | 87.3 | Confident | 93.2 | Very high | 48 Ų | 48 | 66.8 Ų | 66.8 | 19% | 0.188 | 32% | 0.321 | C | S | . | . | trans | -73 | 152.7 | 174.8 | -67.1 | -57.7 | 0 | 0 | 0 | 112 | E55 L99 S125 F129 | E55-Y127 VanDerWaalsContact CD-OH 3.29Å; E55-Y127 PolarHBondContact OE1-OH 2.62Å; E55-Y127 VanDerWaalsContact OE1-OH 3.05Å; E55-Y127 PolarHBondContact OE2-OH 3.43Å; E55-Y127 VanDerWaalsContact OE2-OH 3.05Å; L99-Y127 HydrophobicContact CB-CD2 4.15Å; L99-Y127 HydrophobicContact CB-CE2 4.13Å; L99-Y127 HydrophobicContact CD1-CD2 4.29Å; L99-Y127 HydrophobicContact CD1-CE2 4.12Å; L99-Y127 HydrophobicContact CD2-CD2 4.13Å; L99-Y127 HydrophobicContact CG-CD2 4.42Å; S125-Y127 VanDerWaalsContact CB-CD2 3.44Å; S125-Y127 PolarHBondContact O-N 3.44Å; S125-Y127 VanDerWaalsContact O-N 3.12Å; S125-Y127 VanDerWaalsContact OG-CD2 3.24Å; S125-Y127 WeakPolarHBondContact OG-CD2 3.31Å; Y127-F129 AromaticContact CD2-CE1 3.93Å; Y127-F129 HydrophobicContact CD2-CE1 3.93Å; Y127-F129 HydrophobicContact CD2-CZ 4.16Å; Y127-F129 AromaticContact CG-CE1 3.69Å; Y127-F129 HydrophobicContact CG-CE1 3.69Å; Y127-F129 HydrophobicContact CG-CZ 4.33Å | ||
| 128 | R | 89.3 | Confident | 93.4 | Very high | 252 Ų | 252 | 61.8 Ų | 61.8 | 95% | 0.951 | 30% | 0.295 | S | S | * | . | trans | -104.9 | 72.2 | -177 | -62.9 | -173.6 | 179.7 | 177.3 | 0.7 | 111.6 | ||||
| 129 | F | 92.1 | Very high | 93.5 | Very high | 36 Ų | 36 | 67.3 Ų | 67.3 | 16% | 0.158 | 32% | 0.317 | C | S | . | . | trans | -149.9 | 164.6 | 170.4 | 54.3 | -101.1 | 0 | 0 | 0 | 110.9 | C96 L99 I122 Y127 D133 M134 | C96-F129 HydrophobicContact CB-CD1 3.67Å; C96-F129 HydrophobicContact CB-CE1 3.7Å; C96-F129 HydrophobicContact CB-CG 4.11Å; C96-F129 HydrophobicContact CB-CZ 4.17Å; L99-F129 HydrophobicContact CB-CZ 3.92Å; L99-F129 HydrophobicContact CD2-CE2 4.02Å; L99-F129 HydrophobicContact CD2-CZ 3.54Å; L99-F129 HydrophobicContact CG-CZ 4.36Å; I122-F129 HydrophobicContact CD1-CD2 3.91Å; I122-F129 HydrophobicContact CD1-CE2 3.71Å; I122-F129 HydrophobicContact CG1-CD2 4.19Å; I122-F129 HydrophobicContact CG1-CE2 3.58Å; I122-F129 HydrophobicContact CG1-CZ 4.28Å; I122-F129 HydrophobicContact CG2-CE2 4.44Å; I122-F129 WeakPolarHBondContact CG2-O 3.34Å; Y127-F129 AromaticContact CD2-CE1 3.93Å; Y127-F129 HydrophobicContact CD2-CE1 3.93Å; Y127-F129 HydrophobicContact CD2-CZ 4.16Å; Y127-F129 AromaticContact CG-CE1 3.69Å; Y127-F129 HydrophobicContact CG-CE1 3.69Å; Y127-F129 HydrophobicContact CG-CZ 4.33Å; F129-D133 HydrophobicContact CB-CB 4.15Å; F129-M134 HydrophobicContact CD2-CB 4.31Å; F129-M134 HydrophobicContact CE2-CB 3.95Å; F129-M134 HydrophobicContact CE2-CG 4.22Å; F129-M134 HydrophobicContact CE2-SD 4.34Å | ||
| 130 | T | 95.6 | Very high | 93.7 | Very high | 77 Ų | 77 | 66.2 Ų | 66.2 | 47% | 0.472 | 31% | 0.307 | S | S | . | . | trans | -88.1 | 162.5 | -178 | 69.9 | 0 | 0 | 0 | 0 | 111.8 | S132 D133 M134 | T130-S132 PolarHBondContact O-N 3.48Å; T130-S132 PolarHBondContact OG1-N 2.92Å; T130-D133 WeakPolarHBondContact CB-OD2 3.49Å; T130-D133 PolarHBondContact N-OD2 2.72Å; T130-D133 WeakPolarHBondContact O-CB 3.02Å; T130-D133 PolarHBondContact O-N 3.2Å; T130-D133 PolarHBondContact OG1-N 3.49Å; T130-D133 PolarHBondContact OG1-OD2 3Å; T130-M134 PolarHBondContact O-N 2.92Å; T130-M134 VanDerWaalsContact O-N 3.15Å | ||
| 131 | V | 96.4 | Very high | 94 | Very high | 48 Ų | 48 | 64.1 Ų | 64.1 | 29% | 0.291 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -56 | -38.5 | 170 | 175.1 | 0 | 0 | 0 | 0 | 110.9 | A118 T119 I122 D133 M134 M135 | A118-V131 HydrophobicContact CB-CG1 3.81Å; A118-V131 HydrophobicContact CB-CG2 4.12Å; T119-V131 HydrophobicContact CG2-CG2 3.58Å; I122-V131 HydrophobicContact CD1-CB 4.47Å; I122-V131 HydrophobicContact CD1-CG2 3.92Å; V131-D133 VanDerWaalsContact C-N 3.27Å; V131-D133 PolarHBondContact O-N 3.46Å; V131-M134 PolarHBondContact O-N 3.16Å; V131-M135 HydrophobicContact CG1-CE 4.04Å; V131-M135 HydrophobicContact CG1-CG 4.1Å; V131-M135 VanDerWaalsContact O-CG 3.25Å; V131-M135 WeakPolarHBondContact O-CG 3.4Å; V131-M135 PolarHBondContact O-N 2.94Å |
| 132 | S | 96.8 | Very high | 94.2 | Very high | 69 Ų | 69 | 65.3 Ų | 65.3 | 48% | 0.483 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60.9 | -36.8 | 177 | 179.2 | 0 | 0 | 0 | 0 | 112.5 | T130 R136 | T130-S132 PolarHBondContact O-N 3.48Å; T130-S132 PolarHBondContact OG1-N 2.92Å; S132-R136 WeakPolarHBondContact O-CB 3.44Å; S132-R136 PolarHBondContact O-N 3.35Å; S132-R136 PolarHBondContact OG-NH2 3.23Å |
| 133 | D | 96.6 | Very high | 94.4 | Very high | 54 Ų | 54 | 69 Ų | 69 | 29% | 0.289 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -68.8 | -42 | 177.5 | -59.5 | -45.2 | 0 | 0 | 0 | 111.3 | F129 T130 V131 R136 M137 | F129-D133 HydrophobicContact CB-CB 4.15Å; T130-D133 WeakPolarHBondContact CB-OD2 3.49Å; T130-D133 PolarHBondContact N-OD2 2.72Å; T130-D133 WeakPolarHBondContact O-CB 3.02Å; T130-D133 PolarHBondContact O-N 3.2Å; T130-D133 PolarHBondContact OG1-N 3.49Å; T130-D133 PolarHBondContact OG1-OD2 3Å; V131-D133 VanDerWaalsContact C-N 3.27Å; V131-D133 PolarHBondContact O-N 3.46Å; D133-R136 PolarHBondContact O-N 3.04Å; D133-R136 IonicContact OD1-NH1 3.66Å; D133-R136 PolarHBondContact OD1-NH1 3.46Å; D133-M137 WeakPolarHBondContact O-CB 3.32Å; D133-M137 PolarHBondContact O-N 2.84Å |
| 134 | M | 97.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.2 | -49.5 | 175.3 | -165.1 | 177.1 | 74.9 | 0 | 0 | 111.2 | L99 S100 Y103 A118 L121 I122 F129 T130 V131 R136 M137 E138 | L99-M134 HydrophobicContact CD2-SD 4Å; L99-M134 HydrophobicContact CG-SD 4.43Å; S100-M134 WeakPolarHBondContact OG-CG 3.25Å; S100-M134 PolarHBondContact OG-O 3.26Å; Y103-M134 HydrophobicContact CD1-CE 3.61Å; Y103-M134 HydrophobicContact CE1-CE 3.87Å; Y103-M134 HydrophobicContact CG-CE 4.22Å; A118-M134 HydrophobicContact CB-CE 3.29Å; L121-M134 HydrophobicContact CD2-SD 4.48Å; I122-M134 HydrophobicContact CD1-CB 4.29Å; I122-M134 HydrophobicContact CD1-SD 4.13Å; I122-M134 HydrophobicContact CG1-SD 4.02Å; F129-M134 HydrophobicContact CD2-CB 4.31Å; F129-M134 HydrophobicContact CE2-CB 3.95Å; F129-M134 HydrophobicContact CE2-CG 4.22Å; F129-M134 HydrophobicContact CE2-SD 4.34Å; T130-M134 PolarHBondContact O-N 2.92Å; T130-M134 VanDerWaalsContact O-N 3.15Å; V131-M134 PolarHBondContact O-N 3.16Å; M134-R136 VanDerWaalsContact C-N 3.3Å; M134-R136 PolarHBondContact O-N 2.9Å; M134-M137 CarbonylContact O-C 3.59Å; M134-M137 WeakPolarHBondContact O-CA 3.41Å; M134-M137 WeakPolarHBondContact O-CB 3.41Å; M134-M137 PolarHBondContact O-N 3.43Å; M134-E138 WeakPolarHBondContact O-CG 3.29Å; M134-E138 PolarHBondContact O-N 3.16Å |
| 135 | M | 96.7 | Very high | 94.8 | Very high | 78 Ų | 78 | 65.6 Ų | 65.6 | 38% | 0.384 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60.9 | -39.2 | 178.8 | -65.6 | -67.4 | 154.3 | 0 | 0 | 112.1 | Y103 A118 V131 K139 | Y103-M135 HydrophobicContact CE1-CE 4.02Å; A118-M135 HydrophobicContact CB-CE 3.73Å; V131-M135 HydrophobicContact CG1-CE 4.04Å; V131-M135 HydrophobicContact CG1-CG 4.1Å; V131-M135 VanDerWaalsContact O-CG 3.25Å; V131-M135 WeakPolarHBondContact O-CG 3.4Å; V131-M135 PolarHBondContact O-N 2.94Å; M135-K139 PolarHBondContact O-N 3.39Å |
| 136 | R | 97.8 | Very high | 94.9 | Very high | 136 Ų | 136 | 68.2 Ų | 68.2 | 51% | 0.513 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.1 | -43.2 | 173.8 | -171.1 | -175.1 | -58.9 | 109.8 | 3.3 | 111 | S132 D133 M134 K139 I140 | S132-R136 WeakPolarHBondContact O-CB 3.44Å; S132-R136 PolarHBondContact O-N 3.35Å; S132-R136 PolarHBondContact OG-NH2 3.23Å; D133-R136 PolarHBondContact O-N 3.04Å; D133-R136 IonicContact OD1-NH1 3.66Å; D133-R136 PolarHBondContact OD1-NH1 3.46Å; M134-R136 VanDerWaalsContact C-N 3.3Å; M134-R136 PolarHBondContact O-N 2.9Å; R136-K139 PolarHBondContact O-N 3.2Å; R136-I140 HydrophobicContact CG-CD1 4.25Å; R136-I140 WeakPolarHBondContact O-CG1 3.4Å; R136-I140 PolarHBondContact O-N 3.26Å; R136-I140 VanDerWaalsContact O-N 3.09Å |
| 137 | M | 98.1 | Very high | 94.8 | Very high | 31 Ų | 31 | 70.5 Ų | 70.5 | 15% | 0.153 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66.6 | -40.6 | 179.1 | -175 | 57.6 | 71 | 0 | 0 | 112 | F83 V97 S100 D133 M134 K139 I140 I141 | F83-M137 HydrophobicContact CZ-SD 4.22Å; V97-M137 HydrophobicContact CG2-CE 3.77Å; V97-M137 HydrophobicContact CG2-CG 4.3Å; V97-M137 HydrophobicContact CG2-SD 3.73Å; S100-M137 WeakPolarHBondContact OG-CB 3.34Å; S100-M137 WeakPolarHBondContact OG-CG 3.48Å; D133-M137 WeakPolarHBondContact O-CB 3.32Å; D133-M137 PolarHBondContact O-N 2.84Å; M134-M137 CarbonylContact O-C 3.59Å; M134-M137 WeakPolarHBondContact O-CA 3.41Å; M134-M137 WeakPolarHBondContact O-CB 3.41Å; M134-M137 PolarHBondContact O-N 3.43Å; M137-K139 VanDerWaalsContact C-N 3.32Å; M137-K139 PolarHBondContact O-N 2.94Å; M137-I140 PolarHBondContact O-N 3.35Å; M137-I140 VanDerWaalsContact O-N 3.16Å; M137-I140 HydrophobicContact SD-CB 4.5Å; M137-I141 HydrophobicContact CG-CD1 3.81Å; M137-I141 HydrophobicContact CG-CG1 4.36Å; M137-I141 VanDerWaalsContact O-CG1 3.31Å; M137-I141 WeakPolarHBondContact O-CG1 3.33Å; M137-I141 PolarHBondContact O-N 3.21Å; M137-I141 HydrophobicContact SD-CD1 4.36Å; M137-I141 HydrophobicContact SD-CG1 4.32Å |
| 138 | E | 97.5 | Very high | 94.6 | Very high | 9 Ų | 9 | 73.2 Ų | 73.2 | 4% | 0.042 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -55.6 | -47.5 | 173.1 | -72.5 | -164.7 | 110.8 | 0 | 0 | 111.5 | Y103 L104 K107 M134 I140 I141 L142 | Y103-E138 WeakPolarHBondContact CD1-OE1 3.33Å; L104-E138 HydrophobicContact CD1-CB 4.49Å; L104-E138 HydrophobicContact CD2-CB 4.24Å; L104-E138 HydrophobicContact CD2-CG 4.26Å; L104-E138 VanDerWaalsContact CD2-OE1 3.32Å; L104-E138 WeakPolarHBondContact CD2-OE1 3.46Å; L104-E138 HydrophobicContact CG-CB 4.38Å; L104-E138 HydrophobicContact CG-CG 4.08Å; L104-E138 WeakPolarHBondContact CG-OE1 3.44Å; K107-E138 WeakPolarHBondContact CE-OE1 3.32Å; K107-E138 IonicContact NZ-OE1 2.85Å; K107-E138 PolarHBondContact NZ-OE1 3.09Å; K107-E138 IonicContact NZ-OE2 3.85Å; K107-E138 PolarHBondContact NZ-OE2 3.4Å; M134-E138 WeakPolarHBondContact O-CG 3.29Å; M134-E138 PolarHBondContact O-N 3.16Å; E138-I140 VanDerWaalsContact C-N 3.34Å; E138-I140 PolarHBondContact O-N 3.41Å; E138-I141 PolarHBondContact O-N 2.99Å; E138-L142 WeakPolarHBondContact O-CB 3.49Å; E138-L142 VanDerWaalsContact O-CG 3.29Å; E138-L142 WeakPolarHBondContact O-CG 3.46Å; E138-L142 PolarHBondContact O-N 3.49Å |
| 139 | K | 96.9 | Very high | 94.3 | Very high | 126 Ų | 126 | 63.5 Ų | 63.5 | 55% | 0.548 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -58.4 | -46.4 | 176.2 | -176.9 | 176.3 | 176.3 | 177.6 | 0 | 111.6 | M135 R136 M137 I141 L142 E143 | M135-K139 PolarHBondContact O-N 3.39Å; R136-K139 PolarHBondContact O-N 3.2Å; M137-K139 VanDerWaalsContact C-N 3.32Å; M137-K139 PolarHBondContact O-N 2.94Å; K139-I141 VanDerWaalsContact C-N 3.35Å; K139-I141 PolarHBondContact O-N 3.45Å; K139-L142 PolarHBondContact O-N 3Å; K139-E143 WeakPolarHBondContact CE-OE1 3.31Å; K139-E143 WeakPolarHBondContact CG-OE1 3.41Å; K139-E143 WeakPolarHBondContact O-CB 3.4Å; K139-E143 VanDerWaalsContact O-CG 3.3Å; K139-E143 WeakPolarHBondContact O-CG 3.41Å; K139-E143 PolarHBondContact O-N 2.94Å |
| 140 | I | 97.8 | Very high | 93.8 | Very high | 55 Ų | 55 | 70.5 Ų | 70.5 | 28% | 0.282 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.1 | -44 | 177.7 | -66.7 | 164.9 | 0 | 0 | 0 | 110.8 | F83 R136 M137 E138 E143 K144 | F83-I140 HydrophobicContact CE2-CG2 4.04Å; F83-I140 HydrophobicContact CZ-CG2 4.13Å; R136-I140 HydrophobicContact CG-CD1 4.25Å; R136-I140 WeakPolarHBondContact O-CG1 3.4Å; R136-I140 PolarHBondContact O-N 3.26Å; R136-I140 VanDerWaalsContact O-N 3.09Å; M137-I140 PolarHBondContact O-N 3.35Å; M137-I140 VanDerWaalsContact O-N 3.16Å; M137-I140 HydrophobicContact SD-CB 4.5Å; E138-I140 VanDerWaalsContact C-N 3.34Å; E138-I140 PolarHBondContact O-N 3.41Å; I140-E143 PolarHBondContact O-N 2.93Å; I140-K144 HydrophobicContact CG2-CG 4.34Å; I140-K144 WeakPolarHBondContact O-CB 3.35Å; I140-K144 VanDerWaalsContact O-CG 3.27Å; I140-K144 WeakPolarHBondContact O-CG 3.24Å; I140-K144 PolarHBondContact O-N 3.34Å |
| 141 | I | 97.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.9 | -50.6 | 178.1 | -69.4 | 160.2 | 0 | 0 | 0 | 109.9 | F83 L104 M137 E138 K139 E143 K144 L145 | F83-I141 HydrophobicContact CD2-CB 4.19Å; F83-I141 HydrophobicContact CD2-CG1 3.73Å; F83-I141 HydrophobicContact CD2-CG2 4.35Å; F83-I141 HydrophobicContact CE2-CB 4.33Å; F83-I141 HydrophobicContact CE2-CG1 3.73Å; F83-I141 HydrophobicContact CG-CG1 4.14Å; F83-I141 HydrophobicContact CZ-CG1 4.13Å; L104-I141 HydrophobicContact CD1-CB 4.05Å; L104-I141 HydrophobicContact CD1-CG2 3.69Å; M137-I141 HydrophobicContact CG-CD1 3.81Å; M137-I141 HydrophobicContact CG-CG1 4.36Å; M137-I141 VanDerWaalsContact O-CG1 3.31Å; M137-I141 WeakPolarHBondContact O-CG1 3.33Å; M137-I141 PolarHBondContact O-N 3.21Å; M137-I141 HydrophobicContact SD-CD1 4.36Å; M137-I141 HydrophobicContact SD-CG1 4.32Å; E138-I141 PolarHBondContact O-N 2.99Å; K139-I141 VanDerWaalsContact C-N 3.35Å; K139-I141 PolarHBondContact O-N 3.45Å; I141-E143 VanDerWaalsContact C-N 3.33Å; I141-E143 PolarHBondContact O-N 3.31Å; I141-K144 PolarHBondContact O-N 3.42Å; I141-K144 VanDerWaalsContact O-N 3.17Å; I141-L145 HydrophobicContact CG2-CD1 3.75Å; I141-L145 HydrophobicContact CG2-CG 4.14Å; I141-L145 WeakPolarHBondContact O-CB 3.47Å; I141-L145 VanDerWaalsContact O-CG 3.28Å; I141-L145 WeakPolarHBondContact O-CG 3.3Å; I141-L145 PolarHBondContact O-N 2.95Å |
| 142 | L | 96.3 | Very high | 93.3 | Very high | 25 Ų | 25 | 64.9 Ų | 64.9 | 13% | 0.131 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -57.1 | -45.5 | 179 | -71.4 | 170.6 | 0 | 0 | 0 | 112 | L104 E138 K139 L145 S146 W147 V149 | L104-L142 HydrophobicContact CD1-CD2 4.23Å; L104-L142 HydrophobicContact CD1-CG 4.13Å; L104-L142 HydrophobicContact CD2-CD1 3.98Å; L104-L142 HydrophobicContact CD2-CD2 4.04Å; L104-L142 HydrophobicContact CD2-CG 4.04Å; E138-L142 WeakPolarHBondContact O-CB 3.49Å; E138-L142 VanDerWaalsContact O-CG 3.29Å; E138-L142 WeakPolarHBondContact O-CG 3.46Å; E138-L142 PolarHBondContact O-N 3.49Å; K139-L142 PolarHBondContact O-N 3Å; L142-L145 CarbonylContact O-C 3.57Å; L142-L145 PolarHBondContact O-N 3.47Å; L142-S146 PolarHBondContact O-N 3.04Å; L142-W147 HydrophobicContact CB-CD2 4.27Å; L142-W147 HydrophobicContact CB-CE3 4.29Å; L142-W147 HydrophobicContact CB-CZ2 4.5Å; L142-W147 HydrophobicContact CB-CZ3 4.44Å; L142-W147 HydrophobicContact CD1-CE3 4.29Å; L142-W147 HydrophobicContact CD1-CH2 4.17Å; L142-W147 HydrophobicContact CD1-CZ3 3.84Å; L142-W147 HydrophobicContact CD2-CE3 4.35Å; L142-W147 PolarHBondContact O-N 3.22Å; L142-V149 HydrophobicContact CD2-CG1 3.31Å |
| 143 | E | 95.7 | Very high | 93.2 | Very high | 94 Ų | 94 | 61.7 Ų | 61.7 | 44% | 0.439 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.8 | -46.4 | 176.2 | -73.4 | 172.1 | -177.2 | 0 | 0 | 111.9 | K139 I140 I141 L145 S146 | K139-E143 WeakPolarHBondContact CE-OE1 3.31Å; K139-E143 WeakPolarHBondContact CG-OE1 3.41Å; K139-E143 WeakPolarHBondContact O-CB 3.4Å; K139-E143 VanDerWaalsContact O-CG 3.3Å; K139-E143 WeakPolarHBondContact O-CG 3.41Å; K139-E143 PolarHBondContact O-N 2.94Å; I140-E143 PolarHBondContact O-N 2.93Å; I141-E143 VanDerWaalsContact C-N 3.33Å; I141-E143 PolarHBondContact O-N 3.31Å; E143-L145 VanDerWaalsContact C-N 3.31Å; E143-L145 PolarHBondContact O-N 3.08Å; E143-S146 PolarHBondContact O-N 2.87Å; E143-S146 VanDerWaalsContact O-N 3.07Å |
| 144 | K | 94.8 | Very high | 93.2 | Very high | 93 Ų | 93 | 59.3 Ų | 59.3 | 40% | 0.404 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -71.7 | -24.4 | 179.7 | -64.6 | -57.6 | 177.2 | -171 | 0 | 113.5 | F83 K86 M87 I140 I141 S146 | F83-K144 HydrophobicContact CD2-CB 4.07Å; F83-K144 HydrophobicContact CE2-CB 4.05Å; F83-K144 HydrophobicContact CE2-CG 4Å; K86-K144 WeakPolarHBondContact CD-O 3.38Å; K86-K144 PolarHBondContact NZ-O 3.17Å; M87-K144 HydrophobicContact CE-CD 4.39Å; M87-K144 HydrophobicContact CE-CG 4.44Å; M87-K144 HydrophobicContact CG-CG 4.16Å; M87-K144 HydrophobicContact SD-CD 3.62Å; M87-K144 VanDerWaalsContact SD-CE 3.59Å; M87-K144 HydrophobicContact SD-CG 3.79Å; I140-K144 HydrophobicContact CG2-CG 4.34Å; I140-K144 WeakPolarHBondContact O-CB 3.35Å; I140-K144 VanDerWaalsContact O-CG 3.27Å; I140-K144 WeakPolarHBondContact O-CG 3.24Å; I140-K144 PolarHBondContact O-N 3.34Å; I141-K144 PolarHBondContact O-N 3.42Å; I141-K144 VanDerWaalsContact O-N 3.17Å; K144-S146 VanDerWaalsContact C-N 3.31Å |
| 145 | L | 92.8 | Very high | 93.2 | Very high | 2 Ų | 2 | 59.9 Ų | 59.9 | 1% | 0.01 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -0.5 | 171.5 | -61.6 | -171.5 | 0 | 0 | 0 | 112.8 | F79 R82 I141 L142 E143 W147 K148 | F79-L145 HydrophobicContact CB-CD1 4.16Å; F79-L145 HydrophobicContact CD1-CD1 3.71Å; F79-L145 HydrophobicContact CE1-CD1 4.44Å; F79-L145 HydrophobicContact CG-CD1 4.12Å; R82-L145 HydrophobicContact CB-CD2 3.56Å; I141-L145 HydrophobicContact CG2-CD1 3.75Å; I141-L145 HydrophobicContact CG2-CG 4.14Å; I141-L145 WeakPolarHBondContact O-CB 3.47Å; I141-L145 VanDerWaalsContact O-CG 3.28Å; I141-L145 WeakPolarHBondContact O-CG 3.3Å; I141-L145 PolarHBondContact O-N 2.95Å; L142-L145 CarbonylContact O-C 3.57Å; L142-L145 PolarHBondContact O-N 3.47Å; E143-L145 VanDerWaalsContact C-N 3.31Å; E143-L145 PolarHBondContact O-N 3.08Å; L145-W147 PolarHBondContact O-N 3.47Å; L145-K148 WeakPolarHBondContact O-CB 3.41Å; L145-K148 PolarHBondContact O-N 3.14Å |
| 146 | S | 90.1 | Very high | 93.2 | Very high | 77 Ų | 77 | 58.6 Ų | 58.6 | 54% | 0.538 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55 | 39.4 | -177.8 | -48.4 | 0 | 0 | 0 | 0 | 112.1 | L142 E143 K144 K148 | L142-S146 PolarHBondContact O-N 3.04Å; E143-S146 PolarHBondContact O-N 2.87Å; E143-S146 VanDerWaalsContact O-N 3.07Å; K144-S146 VanDerWaalsContact C-N 3.31Å; S146-K148 PolarHBondContact O-N 2.99Å |
| 147 | W | 87.6 | Confident | 93.1 | Very high | 170 Ų | 170 | 52.1 Ų | 52.1 | 64% | 0.644 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.4 | 16.1 | -179 | -58.6 | 83.8 | 0 | 0 | 0 | 114.9 | L142 L145 V149 | L142-W147 HydrophobicContact CB-CD2 4.27Å; L142-W147 HydrophobicContact CB-CE3 4.29Å; L142-W147 HydrophobicContact CB-CZ2 4.5Å; L142-W147 HydrophobicContact CB-CZ3 4.44Å; L142-W147 HydrophobicContact CD1-CE3 4.29Å; L142-W147 HydrophobicContact CD1-CH2 4.17Å; L142-W147 HydrophobicContact CD1-CZ3 3.84Å; L142-W147 HydrophobicContact CD2-CE3 4.35Å; L142-W147 PolarHBondContact O-N 3.22Å; L145-W147 PolarHBondContact O-N 3.47Å; W147-V149 PolarHBondContact O-N 3.48Å |
| 148 | K | 82.9 | Confident | 93.1 | Very high | 105 Ų | 105 | 50.7 Ų | 50.7 | 46% | 0.457 | 24% | 0.237 | S | C | . | . | trans | -79.7 | 71.4 | 175.6 | -63.1 | 179.9 | -179.7 | -175.3 | 0 | 110.6 | R82 L145 S146 | R82-K148 PolarHBondContact NH1-O 3.24Å; R82-K148 PolarHBondContact NH2-O 3.43Å; R82-K148 VanDerWaalsContact NH2-O 3.09Å; L145-K148 WeakPolarHBondContact O-CB 3.41Å; L145-K148 PolarHBondContact O-N 3.14Å; S146-K148 PolarHBondContact O-N 2.99Å | ||
| 149 | V | 82.6 | Confident | 93 | Very high | 48 Ų | 48 | 54.1 Ų | 54.1 | 29% | 0.291 | 25% | 0.253 | S | S | . | . | trans | -85.1 | -26 | -179.2 | -65 | 0 | 0 | 0 | 0 | 113.4 | F79 L142 W147 A151 | F79-V149 WeakPolarHBondContact CE1-O 3.39Å; F79-V149 HydrophobicContact CZ-CB 4.04Å; F79-V149 HydrophobicContact CZ-CG1 4.35Å; F79-V149 VanDerWaalsContact CZ-O 3.25Å; F79-V149 WeakPolarHBondContact CZ-O 3.41Å; L142-V149 HydrophobicContact CD2-CG1 3.31Å; W147-V149 PolarHBondContact O-N 3.48Å; V149-A151 VanDerWaalsContact C-N 3.28Å; V149-A151 PolarHBondContact O-N 2.81Å | ||
| 150 | K | 82.9 | Confident | 92.9 | Very high | 183 Ų | 183 | 48.8 Ų | 48.8 | 80% | 0.796 | 23% | 0.231 | S | C | * | . | trans | -79.6 | 78.6 | 171 | -65.2 | -172.7 | 178.2 | -172.9 | 0 | 109.3 | ||||
| 151 | A | 87.8 | Confident | 92.8 | Very high | 5 Ų | 5 | 46.2 Ų | 46.2 | 4% | 0.041 | 22% | 0.217 | C | C | . | . | trans | -93.4 | 137.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | C27 L75 N78 F79 V149 | C27-A151 HydrophobicContact CB-CB 3.96Å; L75-A151 HydrophobicContact CD1-CB 3.74Å; N78-A151 WeakPolarHBondContact OD1-CB 3.47Å; F79-A151 HydrophobicContact CE1-CB 4.43Å; V149-A151 VanDerWaalsContact C-N 3.28Å; V149-A151 PolarHBondContact O-N 2.81Å | ||
| 152 | V | 92.5 | Very high | 92.5 | Very high | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.012 | 22% | 0.223 | C | C | . | . | trans | -72.6 | 128.8 | 171.5 | -175.3 | 0 | 0 | 0 | 0 | 109.3 | L20 Q23 F157 | L20-V152 HydrophobicContact CB-CG1 3.97Å; L20-V152 HydrophobicContact CD1-CG1 4.33Å; L20-V152 HydrophobicContact CD2-CG1 4.16Å; L20-V152 HydrophobicContact CD2-CG2 4.06Å; L20-V152 HydrophobicContact CG-CG1 4.39Å; Q23-V152 HydrophobicContact CB-CG2 3.5Å; V152-F157 HydrophobicContact CG1-CD2 3.91Å; V152-F157 HydrophobicContact CG1-CE2 3.25Å; V152-F157 HydrophobicContact CG1-CZ 3.83Å | ||
| 153 | T | 95.6 | Very high | 92.3 | Very high | 3 Ų | 3 | 48.4 Ų | 48.4 | 2% | 0.018 | 23% | 0.232 | C | C | . | . | trans | -109.4 | 160.4 | -178.7 | 75.6 | 0 | 0 | 0 | 0 | 111.5 | E71 L75 F155 Q156 F157 | E71-T153 VanDerWaalsContact OE1-CG2 3.29Å; E71-T153 WeakPolarHBondContact OE1-CG2 3.3Å; E71-T153 PolarHBondContact OE1-OG1 3.39Å; E71-T153 WeakPolarHBondContact OE2-CB 3.27Å; E71-T153 PolarHBondContact OE2-OG1 3.12Å; L75-T153 HydrophobicContact CB-CG2 4.21Å; L75-T153 HydrophobicContact CD1-CG2 4.36Å; T153-F155 PolarHBondContact O-N 3.41Å; T153-F155 PolarHBondContact OG1-N 2.78Å; T153-Q156 VanDerWaalsContact N-OE1 3.08Å; T153-Q156 PolarHBondContact O-N 3.37Å; T153-Q156 WeakPolarHBondContact OG1-CG 3.45Å; T153-Q156 PolarHBondContact OG1-N 2.92Å; T153-F157 WeakPolarHBondContact O-CD2 3.38Å; T153-F157 PolarHBondContact O-N 3.32Å | ||
| 154 | A | 96.2 | Very high | 92.1 | Very high | 4 Ų | 4 | 44.5 Ų | 44.5 | 3% | 0.033 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66.6 | -24.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L158 L186 P200 L203 A204 | A154-L158 VanDerWaalsContact O-CB 3.28Å; A154-L158 WeakPolarHBondContact O-CB 3.42Å; A154-L158 PolarHBondContact O-N 3.45Å; A154-L186 HydrophobicContact CB-CD1 3.71Å; A154-L186 HydrophobicContact CB-CD2 4.48Å; A154-P200 HydrophobicContact CB-CB 4.16Å; A154-L203 HydrophobicContact CB-CD2 4.07Å; A154-L203 HydrophobicContact CB-CG 4.47Å; A154-A204 WeakPolarHBondContact O-CB 3.43Å |
| 155 | F | 97.1 | Very high | 91.7 | Very high | 11 Ų | 11 | 40.1 Ų | 40.1 | 5% | 0.048 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67.2 | -43.2 | 176.8 | 177.8 | -100.3 | 0 | 0 | 0 | 111.8 | T70 E71 T153 F157 L158 Q159 F179 E183 L186 | T70-F155 HydrophobicContact CG2-CD2 3.45Å; T70-F155 VanDerWaalsContact CG2-CD2 3.45Å; T70-F155 HydrophobicContact CG2-CE2 3.78Å; T70-F155 HydrophobicContact CG2-CG 4.17Å; E71-F155 HydrophobicContact CB-CD1 3.57Å; E71-F155 HydrophobicContact CB-CE1 3.77Å; E71-F155 HydrophobicContact CB-CG 4.48Å; E71-F155 HydrophobicContact CG-CD1 4.34Å; E71-F155 WeakPolarHBondContact OE2-CD1 3.08Å; T153-F155 PolarHBondContact O-N 3.41Å; T153-F155 PolarHBondContact OG1-N 2.78Å; F155-F157 PolarHBondContact O-N 3.33Å; F155-L158 WeakPolarHBondContact O-CB 2.92Å; F155-L158 PolarHBondContact O-N 3.38Å; F155-L158 VanDerWaalsContact O-N 3.15Å; F155-Q159 HydrophobicContact CD1-CG 4.32Å; F155-Q159 HydrophobicContact CE1-CG 3.93Å; F155-Q159 HydrophobicContact CE2-CG 4.35Å; F155-Q159 HydrophobicContact CZ-CG 3.95Å; F155-Q159 WeakPolarHBondContact O-CG 3.44Å; F155-Q159 PolarHBondContact O-N 2.79Å; F155-F179 HydrophobicContact CD2-CZ 4.34Å; F155-F179 AromaticContact CE2-CE1 3.69Å; F155-F179 HydrophobicContact CE2-CE1 3.69Å; F155-F179 AromaticContact CE2-CZ 3.61Å; F155-F179 HydrophobicContact CE2-CZ 3.61Å; F155-F179 AromaticContact CZ-CE1 3.94Å; F155-F179 HydrophobicContact CZ-CE1 3.94Å; F155-F179 HydrophobicContact CZ-CZ 4.02Å; F155-E183 HydrophobicContact CE2-CG 3.89Å; F155-E183 VanDerWaalsContact CE2-OE1 3.3Å; F155-E183 WeakPolarHBondContact CE2-OE1 3.48Å; F155-L186 HydrophobicContact CB-CD2 3.68Å; F155-L186 HydrophobicContact CD2-CD2 4.15Å; F155-L186 HydrophobicContact CG-CD2 4.44Å |
| 156 | Q | 96.4 | Very high | 91.4 | Very high | 52 Ų | 52 | 42.5 Ų | 42.5 | 24% | 0.243 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.9 | -43 | 176 | -67.9 | 171.5 | -36.3 | 0 | 0 | 112.1 | L20 E71 T153 L158 Q159 L160 | L20-Q156 HydrophobicContact CD1-CB 3.73Å; E71-Q156 PolarHBondContact OE1-NE2 2.89Å; T153-Q156 VanDerWaalsContact N-OE1 3.08Å; T153-Q156 PolarHBondContact O-N 3.37Å; T153-Q156 WeakPolarHBondContact OG1-CG 3.45Å; T153-Q156 PolarHBondContact OG1-N 2.92Å; Q156-L158 VanDerWaalsContact C-N 3.35Å; Q156-Q159 PolarHBondContact O-N 3.46Å; Q156-L160 WeakPolarHBondContact O-CG 3.48Å; Q156-L160 PolarHBondContact O-N 2.83Å |
| 157 | F | 97 | Very high | 90.8 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.8 | -42.4 | 173.4 | -78.2 | -68.1 | 0 | 0 | 0 | 112 | L17 L20 L21 E24 V152 T153 F155 Q159 L160 Y161 P200 A204 | L17-F157 HydrophobicContact CD1-CD1 3.62Å; L17-F157 HydrophobicContact CD1-CE1 3.71Å; L20-F157 HydrophobicContact CB-CE1 3.79Å; L20-F157 HydrophobicContact CB-CE2 4.48Å; L20-F157 HydrophobicContact CB-CZ 3.73Å; L21-F157 HydrophobicContact CD2-CE1 3.68Å; L21-F157 HydrophobicContact CD2-CZ 3.94Å; L21-F157 HydrophobicContact CG-CE1 3.89Å; L21-F157 HydrophobicContact CG-CZ 4.29Å; E24-F157 HydrophobicContact CB-CZ 4.44Å; E24-F157 HydrophobicContact CG-CE2 4.31Å; V152-F157 HydrophobicContact CG1-CD2 3.91Å; V152-F157 HydrophobicContact CG1-CE2 3.25Å; V152-F157 HydrophobicContact CG1-CZ 3.83Å; T153-F157 WeakPolarHBondContact O-CD2 3.38Å; T153-F157 PolarHBondContact O-N 3.32Å; F155-F157 PolarHBondContact O-N 3.33Å; F157-Q159 VanDerWaalsContact C-N 3.31Å; F157-Q159 PolarHBondContact O-N 3.42Å; F157-L160 PolarHBondContact O-N 2.97Å; F157-Y161 HydrophobicContact CB-CD2 4.3Å; F157-Y161 HydrophobicContact CB-CE2 3.93Å; F157-Y161 HydrophobicContact CD1-CE2 4.36Å; F157-Y161 WeakPolarHBondContact O-CB 3.43Å; F157-Y161 WeakPolarHBondContact O-CD2 3.39Å; F157-Y161 PolarHBondContact O-N 3.11Å; F157-P200 HydrophobicContact CD2-CB 3.71Å; F157-P200 HydrophobicContact CE2-CB 3.83Å; F157-A204 HydrophobicContact CB-CB 3.6Å |
| 158 | L | 96.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.7 | -39.9 | 178.6 | -170.1 | 67.6 | 0 | 0 | 0 | 111.7 | A154 F155 Q156 H162 F179 L182 L186 A204 I207 M208 | A154-L158 VanDerWaalsContact O-CB 3.28Å; A154-L158 WeakPolarHBondContact O-CB 3.42Å; A154-L158 PolarHBondContact O-N 3.45Å; F155-L158 WeakPolarHBondContact O-CB 2.92Å; F155-L158 PolarHBondContact O-N 3.38Å; F155-L158 VanDerWaalsContact O-N 3.15Å; Q156-L158 VanDerWaalsContact C-N 3.35Å; L158-H162 WeakPolarHBondContact O-CB 3.4Å; L158-H162 PolarHBondContact O-N 3.25Å; L158-F179 HydrophobicContact CG-CE2 4.26Å; L158-L182 HydrophobicContact CD1-CB 4.2Å; L158-L182 HydrophobicContact CD1-CD1 4.43Å; L158-L182 HydrophobicContact CD2-CB 3.92Å; L158-L182 HydrophobicContact CG-CB 4.22Å; L158-L186 HydrophobicContact CD2-CB 4.09Å; L158-L186 HydrophobicContact CD2-CD2 3.98Å; L158-A204 HydrophobicContact CB-CB 4.07Å; L158-A204 HydrophobicContact CD1-CB 4.41Å; L158-I207 HydrophobicContact CD1-CB 4.42Å; L158-I207 HydrophobicContact CD1-CG2 4.19Å; L158-M208 HydrophobicContact CD1-CE 3.85Å |
| 159 | Q | 95.8 | Very high | 89.8 | Confident | 82 Ų | 82 | 34.3 Ų | 34.3 | 38% | 0.383 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -61.9 | -51.8 | 172.9 | -73.2 | -178.3 | -59 | 0 | 0 | 111.5 | F155 Q156 F157 Y161 H162 S163 F179 | F155-Q159 HydrophobicContact CD1-CG 4.32Å; F155-Q159 HydrophobicContact CE1-CG 3.93Å; F155-Q159 HydrophobicContact CE2-CG 4.35Å; F155-Q159 HydrophobicContact CZ-CG 3.95Å; F155-Q159 WeakPolarHBondContact O-CG 3.44Å; F155-Q159 PolarHBondContact O-N 2.79Å; Q156-Q159 PolarHBondContact O-N 3.46Å; F157-Q159 VanDerWaalsContact C-N 3.31Å; F157-Q159 PolarHBondContact O-N 3.42Å; Q159-Y161 PolarHBondContact O-N 2.9Å; Q159-H162 PolarHBondContact O-N 3.31Å; Q159-H162 VanDerWaalsContact O-N 3.17Å; Q159-S163 PolarHBondContact O-N 2.98Å; Q159-S163 PolarHBondContact O-OG 2.88Å; Q159-F179 HydrophobicContact CB-CZ 4.36Å; Q159-F179 HydrophobicContact CG-CE1 4.17Å; Q159-F179 HydrophobicContact CG-CE2 3.93Å; Q159-F179 HydrophobicContact CG-CZ 3.35Å |
| 160 | L | 94.7 | Very high | 89.3 | Confident | 14 Ų | 14 | 35 Ų | 35 | 7% | 0.073 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.4 | -46.1 | -178.3 | -72.1 | 178.1 | 0 | 0 | 0 | 112.4 | L13 Q16 L17 L20 Q156 F157 H162 S163 L164 | L13-L160 HydrophobicContact CD2-CD2 3.87Å; Q16-L160 HydrophobicContact CB-CD1 4.32Å; Q16-L160 HydrophobicContact CB-CD2 4.15Å; L17-L160 HydrophobicContact CB-CD1 4.08Å; L17-L160 HydrophobicContact CD1-CD1 4.36Å; L20-L160 HydrophobicContact CD1-CD1 3.52Å; L20-L160 HydrophobicContact CG-CD1 4.26Å; Q156-L160 WeakPolarHBondContact O-CG 3.48Å; Q156-L160 PolarHBondContact O-N 2.83Å; F157-L160 PolarHBondContact O-N 2.97Å; L160-H162 VanDerWaalsContact C-N 3.26Å; L160-H162 PolarHBondContact O-N 2.98Å; L160-S163 PolarHBondContact O-N 2.95Å; L160-L164 WeakPolarHBondContact O-CB 3.45Å; L160-L164 WeakPolarHBondContact O-CD1 3.39Å; L160-L164 VanDerWaalsContact O-CG 3.3Å; L160-L164 WeakPolarHBondContact O-CG 3.49Å; L160-L164 PolarHBondContact O-N 3.22Å |
| 161 | Y | 94.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.7 | -37.5 | 176.5 | -62.5 | -34.3 | 0 | 0 | 0 | 111.2 | L17 F157 Q159 I165 S201 A204 L205 M208 L227 S231 | L17-Y161 HydrophobicContact CD1-CD1 4.23Å; L17-Y161 HydrophobicContact CD1-CE1 3.5Å; L17-Y161 HydrophobicContact CD2-CD1 4.32Å; L17-Y161 HydrophobicContact CD2-CE1 3.82Å; L17-Y161 HydrophobicContact CG-CE1 4.33Å; F157-Y161 HydrophobicContact CB-CD2 4.3Å; F157-Y161 HydrophobicContact CB-CE2 3.93Å; F157-Y161 HydrophobicContact CD1-CE2 4.36Å; F157-Y161 WeakPolarHBondContact O-CB 3.43Å; F157-Y161 WeakPolarHBondContact O-CD2 3.39Å; F157-Y161 PolarHBondContact O-N 3.11Å; Q159-Y161 PolarHBondContact O-N 2.9Å; Y161-I165 WeakPolarHBondContact O-CB 3.27Å; Y161-I165 VanDerWaalsContact O-CG1 3.3Å; Y161-I165 WeakPolarHBondContact O-CG1 3.49Å; Y161-I165 PolarHBondContact O-N 2.55Å; Y161-S201 WeakPolarHBondContact CE2-O 3.46Å; Y161-S201 WeakPolarHBondContact OH-CB 3.26Å; Y161-A204 HydrophobicContact CD2-CB 3.97Å; Y161-A204 HydrophobicContact CE2-CB 3.94Å; Y161-L205 HydrophobicContact CD2-CB 4.38Å; Y161-L205 HydrophobicContact CD2-CD1 4.25Å; Y161-L205 HydrophobicContact CE2-CB 3.94Å; Y161-L205 HydrophobicContact CE2-CD1 4.29Å; Y161-M208 WeakPolarHBondContact CB-SD 3.38Å; Y161-M208 HydrophobicContact CG-SD 4.49Å; Y161-L227 HydrophobicContact CD1-CB 4.41Å; Y161-L227 HydrophobicContact CD1-CD1 3.87Å; Y161-L227 HydrophobicContact CD1-CD2 3.99Å; Y161-L227 HydrophobicContact CD1-CG 4.32Å; Y161-L227 HydrophobicContact CE1-CB 4.47Å; Y161-L227 HydrophobicContact CE1-CD2 4.38Å; Y161-L227 HydrophobicContact CG-CD1 4.25Å; Y161-S231 PolarHBondContact OH-OG 3.06Å |
| 162 | H | 93.1 | Very high | 87.6 | Confident | 24 Ų | 24 | 38.5 Ų | 38.5 | 11% | 0.111 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.6 | -47.5 | 179.2 | 177.2 | -92.4 | 0 | 0 | 0 | 110.2 | L158 Q159 L160 L164 I165 H166 L177 F179 L182 M208 | L158-H162 WeakPolarHBondContact O-CB 3.4Å; L158-H162 PolarHBondContact O-N 3.25Å; Q159-H162 PolarHBondContact O-N 3.31Å; Q159-H162 VanDerWaalsContact O-N 3.17Å; L160-H162 VanDerWaalsContact C-N 3.26Å; L160-H162 PolarHBondContact O-N 2.98Å; H162-L164 PolarHBondContact O-N 2.65Å; H162-I165 PolarHBondContact O-N 3.07Å; H162-H166 AromaticContact CE1-CD2 3.96Å; H162-H166 WeakPolarHBondContact O-CB 3.11Å; H162-H166 PolarHBondContact O-N 2.67Å; H162-L177 PolarHBondContact NE2-O 3.17Å; H162-F179 HydrophobicContact CB-CD2 3.93Å; H162-F179 HydrophobicContact CB-CE2 4.16Å; H162-F179 AromaticContact CG-CD2 3.67Å; H162-F179 AromaticContact ND1-CD2 3.9Å; H162-L182 HydrophobicContact CB-CD1 4.5Å; H162-M208 HydrophobicContact CB-CE 4.04Å |
| 163 | S | 91.6 | Very high | 86.5 | Confident | 48 Ų | 48 | 43.2 Ų | 43.2 | 34% | 0.336 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -57.9 | -48.9 | 176 | -63.8 | 0 | 0 | 0 | 0 | 112.1 | Q159 L160 I165 H166 E167 | Q159-S163 PolarHBondContact O-N 2.98Å; Q159-S163 PolarHBondContact O-OG 2.88Å; L160-S163 PolarHBondContact O-N 2.95Å; S163-I165 VanDerWaalsContact C-N 3.32Å; S163-I165 PolarHBondContact O-N 3.26Å; S163-H166 PolarHBondContact O-N 3.4Å; S163-H166 VanDerWaalsContact O-N 3.17Å; S163-E167 WeakPolarHBondContact O-CG 3.29Å; S163-E167 PolarHBondContact O-N 2.96Å |
| 164 | L | 90.4 | Very high | 85.4 | Confident | 12 Ų | 12 | 47.3 Ų | 47.3 | 6% | 0.063 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.6 | -38.5 | 178.9 | -74.5 | 165.4 | 0 | 0 | 0 | 112.5 | L13 L14 L17 L160 H162 N168 L227 | L13-L164 HydrophobicContact CB-CD1 4.48Å; L13-L164 HydrophobicContact CB-CD2 3.65Å; L13-L164 HydrophobicContact CB-CG 3.98Å; L13-L164 HydrophobicContact CD1-CD2 4.07Å; L13-L164 HydrophobicContact CD1-CG 4.22Å; L14-L164 HydrophobicContact CD2-CD1 3.99Å; L14-L164 HydrophobicContact CD2-CD2 4.18Å; L14-L164 HydrophobicContact CG-CD2 4.05Å; L17-L164 HydrophobicContact CD2-CD1 4.13Å; L160-L164 WeakPolarHBondContact O-CB 3.45Å; L160-L164 WeakPolarHBondContact O-CD1 3.39Å; L160-L164 VanDerWaalsContact O-CG 3.3Å; L160-L164 WeakPolarHBondContact O-CG 3.49Å; L160-L164 PolarHBondContact O-N 3.22Å; H162-L164 PolarHBondContact O-N 2.65Å; L164-N168 PolarHBondContact O-ND2 3.19Å; L164-L227 HydrophobicContact CB-CD2 4.25Å; L164-L227 HydrophobicContact CD1-CD2 3.62Å |
| 165 | I | 88.1 | Confident | 84.3 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -73.5 | -38.2 | 175.8 | -71.9 | -169.7 | 0 | 0 | 0 | 111.3 | Y161 H162 S163 E167 N168 L169 L177 M208 I212 L220 A223 L227 | Y161-I165 WeakPolarHBondContact O-CB 3.27Å; Y161-I165 VanDerWaalsContact O-CG1 3.3Å; Y161-I165 WeakPolarHBondContact O-CG1 3.49Å; Y161-I165 PolarHBondContact O-N 2.55Å; H162-I165 PolarHBondContact O-N 3.07Å; S163-I165 VanDerWaalsContact C-N 3.32Å; S163-I165 PolarHBondContact O-N 3.26Å; I165-E167 VanDerWaalsContact C-N 3.32Å; I165-E167 PolarHBondContact O-N 3.36Å; I165-N168 WeakPolarHBondContact O-CB 3.29Å; I165-N168 PolarHBondContact O-N 3.25Å; I165-L169 HydrophobicContact CG2-CD1 4.35Å; I165-L169 PolarHBondContact O-N 3.35Å; I165-L177 HydrophobicContact CB-CD2 4.49Å; I165-L177 HydrophobicContact CG2-CD2 3.73Å; I165-M208 HydrophobicContact CD1-CG 3.88Å; I165-M208 HydrophobicContact CD1-SD 3.33Å; I165-M208 WeakPolarHBondContact CD1-SD 3.49Å; I165-M208 HydrophobicContact CG1-SD 4.16Å; I165-I212 HydrophobicContact CD1-CD1 3.63Å; I165-L220 HydrophobicContact CG2-CD1 3.53Å; I165-L220 HydrophobicContact CG2-CD2 3.86Å; I165-L220 HydrophobicContact CG2-CG 4.19Å; I165-A223 HydrophobicContact CG1-CB 4.45Å; I165-L227 HydrophobicContact CD1-CD1 4Å; I165-L227 HydrophobicContact CG1-CD1 3.79Å |
| 166 | H | 84.9 | Confident | 83.4 | Confident | 53 Ų | 53 | 61.4 Ų | 61.4 | 25% | 0.245 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -69.8 | -29.4 | -175.9 | -171.6 | -88.3 | 0 | 0 | 0 | 113 | H162 S163 N168 L169 R174 | H162-H166 AromaticContact CE1-CD2 3.96Å; H162-H166 WeakPolarHBondContact O-CB 3.11Å; H162-H166 PolarHBondContact O-N 2.67Å; S163-H166 PolarHBondContact O-N 3.4Å; S163-H166 VanDerWaalsContact O-N 3.17Å; H166-N168 PolarHBondContact O-N 3.2Å; H166-L169 PolarHBondContact O-N 3.32Å; H166-R174 WeakPolarHBondContact CE1-CD 3.46Å; H166-R174 WeakPolarHBondContact NE2-CB 3.5Å; H166-R174 WeakPolarHBondContact NE2-CD 3.5Å; H166-R174 VanDerWaalsContact NE2-CG 3.3Å; H166-R174 WeakPolarHBondContact NE2-CG 3.43Å; H166-R174 PolarHBondContact O-NE 3.07Å; H166-R174 PolarHBondContact O-NH2 2.82Å |
| 167 | E | 78.6 | Confident | 82.8 | Confident | 57 Ų | 57 | 59 Ų | 59 | 27% | 0.266 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62 | -33.7 | 168.9 | -74.5 | 179 | -179.1 | 0 | 0 | 112.5 | E9 A10 L13 S163 I165 L169 | E9-E167 WeakPolarHBondContact CG-OE1 3.46Å; A10-E167 VanDerWaalsContact CB-OE2 3.23Å; A10-E167 WeakPolarHBondContact CB-OE2 3.38Å; L13-E167 VanDerWaalsContact CD1-OE1 3.29Å; L13-E167 WeakPolarHBondContact CD1-OE1 3.47Å; S163-E167 WeakPolarHBondContact O-CG 3.29Å; S163-E167 PolarHBondContact O-N 2.96Å; I165-E167 VanDerWaalsContact C-N 3.32Å; I165-E167 PolarHBondContact O-N 3.36Å; E167-L169 VanDerWaalsContact C-N 3.31Å |
| 168 | N | 72.6 | Confident | 82.3 | Confident | 115 Ų | 115 | 62.8 Ų | 62.8 | 62% | 0.615 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -4 | 177.9 | -67 | -60.9 | 0 | 0 | 0 | 113.5 | L164 I165 H166 | L164-N168 PolarHBondContact O-ND2 3.19Å; I165-N168 WeakPolarHBondContact O-CB 3.29Å; I165-N168 PolarHBondContact O-N 3.25Å; H166-N168 PolarHBondContact O-N 3.2Å |
| 169 | L | 75.7 | Confident | 82.1 | Confident | 7 Ų | 7 | 64.9 Ų | 64.9 | 4% | 0.037 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -93.3 | 136.5 | -179.4 | -82.2 | 171.9 | 0 | 0 | 0 | 113.1 | I165 H166 E167 R173 R174 L177 L220 | I165-L169 HydrophobicContact CG2-CD1 4.35Å; I165-L169 PolarHBondContact O-N 3.35Å; H166-L169 PolarHBondContact O-N 3.32Å; E167-L169 VanDerWaalsContact C-N 3.31Å; L169-R173 HydrophobicContact CD2-CB 3.99Å; L169-R174 HydrophobicContact CB-CG 3.8Å; L169-R174 PolarHBondContact O-NE 2.81Å; L169-R174 VanDerWaalsContact O-NE 3.1Å; L169-R174 PolarHBondContact O-NH2 2.75Å; L169-L177 HydrophobicContact CD1-CB 4.22Å; L169-L177 HydrophobicContact CD1-CD2 4.14Å; L169-L220 HydrophobicContact CD1-CD1 4.22Å; L169-L220 HydrophobicContact CD2-CD1 3.94Å; L169-L220 HydrophobicContact CD2-CD2 3.76Å; L169-L220 HydrophobicContact CD2-CG 4.1Å; L169-L220 HydrophobicContact CG-CD1 4.23Å; L169-L220 HydrophobicContact CG-CD2 3.93Å |
| 170 | S | 72.2 | Confident | 81.8 | Confident | 63 Ų | 63 | 67.2 Ų | 67.2 | 44% | 0.441 | 33% | 0.327 | S | S | . | . | trans | -64 | 148.4 | 166.9 | 64.3 | 0 | 0 | 0 | 0 | 111.8 | E172 R173 R174 | S170-E172 PolarHBondContact O-N 2.89Å; S170-E172 VanDerWaalsContact O-N 3.08Å; S170-R173 PolarHBondContact O-N 2.85Å; S170-R174 PolarHBondContact O-N 3Å | ||
| 171 | C | 68.7 | Low | 81.7 | Confident | 100 Ų | 100 | 70.8 Ų | 70.8 | 68% | 0.676 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -33.2 | -174.9 | -80.2 | 0 | 0 | 0 | 0 | 114.7 | ||
| 172 | E | 66.6 | Low | 81.7 | Confident | 161 Ų | 161 | 70.8 Ų | 70.8 | 75% | 0.752 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -33 | 180 | -61.1 | -166.2 | 144.6 | 0 | 0 | 112.6 | S170 | S170-E172 PolarHBondContact O-N 2.89Å; S170-E172 VanDerWaalsContact O-N 3.08Å |
| 173 | R | 69.7 | Low | 81.7 | Confident | 101 Ų | 101 | 71.4 Ų | 71.4 | 38% | 0.381 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -18.1 | -173.3 | -67.2 | -174.2 | 178.4 | -166.8 | 6.8 | 114.3 | L169 S170 K175 Y176 E219 | L169-R173 HydrophobicContact CD2-CB 3.99Å; S170-R173 PolarHBondContact O-N 2.85Å; R173-K175 PolarHBondContact O-N 3.08Å; R173-Y176 HydrophobicContact CB-CD2 4.24Å; R173-Y176 HydrophobicContact CG-CD2 4.41Å; R173-Y176 HydrophobicContact CG-CE2 4.45Å; R173-Y176 WeakPolarHBondContact O-CD2 3.32Å; R173-Y176 PolarHBondContact O-N 3.32Å; R173-E219 WeakPolarHBondContact CD-OE1 3.38Å; R173-E219 IonicContact CZ-OE1 2.79Å; R173-E219 IonicContact CZ-OE2 2.6Å; R173-E219 IonicContact NE-OE1 3.7Å; R173-E219 IonicContact NH1-OE1 2.74Å; R173-E219 PolarHBondContact NH1-OE1 3.42Å; R173-E219 IonicContact NH1-OE2 3.85Å; R173-E219 PolarHBondContact NH1-OE2 3.07Å |
| 174 | R | 71.9 | Confident | 81.8 | Confident | 89 Ų | 89 | 72.4 Ų | 72.4 | 34% | 0.336 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51 | -30.1 | 171.9 | -72.8 | 176 | 179 | -162.3 | -1.6 | 113.3 | H166 L169 S170 Y176 L177 | H166-R174 WeakPolarHBondContact CE1-CD 3.46Å; H166-R174 WeakPolarHBondContact NE2-CB 3.5Å; H166-R174 WeakPolarHBondContact NE2-CD 3.5Å; H166-R174 VanDerWaalsContact NE2-CG 3.3Å; H166-R174 WeakPolarHBondContact NE2-CG 3.43Å; H166-R174 PolarHBondContact O-NE 3.07Å; H166-R174 PolarHBondContact O-NH2 2.82Å; L169-R174 HydrophobicContact CB-CG 3.8Å; L169-R174 PolarHBondContact O-NE 2.81Å; L169-R174 VanDerWaalsContact O-NE 3.1Å; L169-R174 PolarHBondContact O-NH2 2.75Å; S170-R174 PolarHBondContact O-N 3Å; R174-Y176 VanDerWaalsContact C-N 3.27Å; R174-Y176 PolarHBondContact O-N 2.68Å; R174-L177 PolarHBondContact O-N 3.01Å |
| 175 | K | 74.4 | Confident | 82 | Confident | 176 Ų | 176 | 72.5 Ų | 72.5 | 77% | 0.765 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -25.3 | 178.2 | -62.1 | -179.3 | -177.8 | 177 | 0 | 113.8 | R173 | R173-K175 PolarHBondContact O-N 3.08Š|
| 176 | Y | 76.8 | Confident | 82.4 | Confident | 136 Ų | 136 | 72.5 Ų | 72.5 | 53% | 0.533 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -31.1 | -178.5 | -61.4 | -71.4 | 0 | 0 | 0 | 112.5 | R173 R174 N178 | R173-Y176 HydrophobicContact CB-CD2 4.24Å; R173-Y176 HydrophobicContact CG-CD2 4.41Å; R173-Y176 HydrophobicContact CG-CE2 4.45Å; R173-Y176 WeakPolarHBondContact O-CD2 3.32Å; R173-Y176 PolarHBondContact O-N 3.32Å; R174-Y176 VanDerWaalsContact C-N 3.27Å; R174-Y176 PolarHBondContact O-N 2.68Å; Y176-N178 PolarHBondContact O-N 3.42Å |
| 177 | L | 83.9 | Confident | 82.9 | Confident | 2 Ų | 2 | 71.9 Ų | 71.9 | 1% | 0.01 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -91.3 | 69.1 | 178.1 | -164.6 | 69.9 | 0 | 0 | 0 | 111 | H162 I165 L169 R174 F179 L182 E211 I212 | H162-L177 PolarHBondContact NE2-O 3.17Å; I165-L177 HydrophobicContact CB-CD2 4.49Å; I165-L177 HydrophobicContact CG2-CD2 3.73Å; L169-L177 HydrophobicContact CD1-CB 4.22Å; L169-L177 HydrophobicContact CD1-CD2 4.14Å; R174-L177 PolarHBondContact O-N 3.01Å; L177-F179 PolarHBondContact O-N 2.96Å; L177-L182 HydrophobicContact CD1-CD1 4.5Å; L177-E211 HydrophobicContact CD1-CB 4.4Å; L177-E211 HydrophobicContact CD1-CG 3.91Å; L177-I212 HydrophobicContact CD1-CG1 4.38Å |
| 178 | N | 87.9 | Confident | 83.7 | Confident | 78 Ų | 78 | 69.2 Ų | 69.2 | 42% | 0.417 | 33% | 0.331 | S | S | . | . | trans | -73 | 119.8 | -179.1 | -175.7 | -3 | 0 | 0 | 0 | 111.5 | Y176 E180 R181 L182 | Y176-N178 PolarHBondContact O-N 3.42Å; N178-E180 VanDerWaalsContact C-N 3.32Å; N178-E180 PolarHBondContact O-N 3.22Å; N178-E180 WeakPolarHBondContact OD1-CB 3.36Å; N178-E180 PolarHBondContact OD1-N 2.96Å; N178-R181 HydrophobicContact CB-CB 4.33Å; N178-R181 WeakPolarHBondContact O-CB 3.49Å; N178-R181 PolarHBondContact O-N 3.1Å; N178-L182 PolarHBondContact O-N 3.31Å | ||
| 179 | F | 91.3 | Very high | 84.8 | Confident | 45 Ų | 45 | 63.8 Ų | 63.8 | 20% | 0.197 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.1 | -36.5 | 178.4 | -168.8 | -106.6 | 0 | 0 | 0 | 113.1 | F155 L158 Q159 H162 L177 R181 L182 E183 | F155-F179 HydrophobicContact CD2-CZ 4.34Å; F155-F179 AromaticContact CE2-CE1 3.69Å; F155-F179 HydrophobicContact CE2-CE1 3.69Å; F155-F179 AromaticContact CE2-CZ 3.61Å; F155-F179 HydrophobicContact CE2-CZ 3.61Å; F155-F179 AromaticContact CZ-CE1 3.94Å; F155-F179 HydrophobicContact CZ-CE1 3.94Å; F155-F179 HydrophobicContact CZ-CZ 4.02Å; L158-F179 HydrophobicContact CG-CE2 4.26Å; Q159-F179 HydrophobicContact CB-CZ 4.36Å; Q159-F179 HydrophobicContact CG-CE1 4.17Å; Q159-F179 HydrophobicContact CG-CE2 3.93Å; Q159-F179 HydrophobicContact CG-CZ 3.35Å; H162-F179 HydrophobicContact CB-CD2 3.93Å; H162-F179 HydrophobicContact CB-CE2 4.16Å; H162-F179 AromaticContact CG-CD2 3.67Å; H162-F179 AromaticContact ND1-CD2 3.9Å; L177-F179 PolarHBondContact O-N 2.96Å; F179-R181 PolarHBondContact O-N 3.22Å; F179-L182 HydrophobicContact CD2-CD1 4.28Å; F179-L182 WeakPolarHBondContact O-CB 3.31Å; F179-L182 PolarHBondContact O-N 3.09Å; F179-L182 VanDerWaalsContact O-N 3.11Å; F179-E183 HydrophobicContact CD1-CG 3.92Å; F179-E183 HydrophobicContact CE1-CG 3.64Å; F179-E183 WeakPolarHBondContact CE1-OE1 3.33Å; F179-E183 HydrophobicContact CZ-CG 4.19Å; F179-E183 WeakPolarHBondContact O-CG 3.36Å; F179-E183 PolarHBondContact O-N 3Å |
| 180 | E | 90.9 | Very high | 85.8 | Confident | 130 Ų | 130 | 64.4 Ų | 64.4 | 61% | 0.607 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -61.4 | -33.5 | 178.4 | -171.8 | -175.7 | -176.3 | 0 | 0 | 112.4 | N178 E183 T184 | N178-E180 VanDerWaalsContact C-N 3.32Å; N178-E180 PolarHBondContact O-N 3.22Å; N178-E180 WeakPolarHBondContact OD1-CB 3.36Å; N178-E180 PolarHBondContact OD1-N 2.96Å; E180-E183 PolarHBondContact O-N 2.84Å; E180-T184 PolarHBondContact O-N 3.33Å; E180-T184 PolarHBondContact O-OG1 2.83Å |
| 181 | R | 90.9 | Very high | 86.9 | Confident | 90 Ų | 90 | 61.6 Ų | 61.6 | 34% | 0.34 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -68.1 | -45.2 | 175.5 | -178.4 | 171.5 | 170.5 | 150.8 | 9 | 110.8 | N178 F179 E183 T184 Q185 E211 E214 | N178-R181 HydrophobicContact CB-CB 4.33Å; N178-R181 WeakPolarHBondContact O-CB 3.49Å; N178-R181 PolarHBondContact O-N 3.1Å; F179-R181 PolarHBondContact O-N 3.22Å; R181-E183 VanDerWaalsContact C-N 3.32Å; R181-E183 PolarHBondContact O-N 2.92Å; R181-T184 WeakPolarHBondContact O-CB 3.44Å; R181-T184 PolarHBondContact O-N 3.42Å; R181-T184 VanDerWaalsContact O-N 3.16Å; R181-Q185 WeakPolarHBondContact O-CG 3.49Å; R181-Q185 PolarHBondContact O-N 2.79Å; R181-E211 VanDerWaalsContact CD-OE1 3.24Å; R181-E211 WeakPolarHBondContact CD-OE1 3.36Å; R181-E211 WeakPolarHBondContact CD-OE2 3.45Å; R181-E211 IonicContact CZ-OE1 3.76Å; R181-E211 IonicContact CZ-OE2 3.35Å; R181-E211 VanDerWaalsContact NE-CD 3.25Å; R181-E211 IonicContact NE-OE1 3.32Å; R181-E211 PolarHBondContact NE-OE1 3.48Å; R181-E211 IonicContact NE-OE2 3.8Å; R181-E211 PolarHBondContact NE-OE2 3.05Å; R181-E211 IonicContact NH1-OE1 3.07Å; R181-E211 IonicContact NH2-OE1 2.97Å; R181-E211 IonicContact NH2-OE2 4Å; R181-E214 IonicContact CZ-OE1 2.97Å; R181-E214 IonicContact CZ-OE2 3.81Å; R181-E214 IonicContact NH2-OE1 2.65Å; R181-E214 PolarHBondContact NH2-OE1 3.13Å; R181-E214 IonicContact NH2-OE2 2.68Å; R181-E214 PolarHBondContact NH2-OE2 3.4Å |
| 182 | L | 94.8 | Very high | 88.1 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.7 | -42.1 | 174.4 | -62.5 | 173.3 | 0 | 0 | 0 | 111.2 | L158 H162 L177 N178 F179 T184 Q185 L186 I207 M208 E211 | L158-L182 HydrophobicContact CD1-CB 4.2Å; L158-L182 HydrophobicContact CD1-CD1 4.43Å; L158-L182 HydrophobicContact CD2-CB 3.92Å; L158-L182 HydrophobicContact CG-CB 4.22Å; H162-L182 HydrophobicContact CB-CD1 4.5Å; L177-L182 HydrophobicContact CD1-CD1 4.5Å; N178-L182 PolarHBondContact O-N 3.31Å; F179-L182 HydrophobicContact CD2-CD1 4.28Å; F179-L182 WeakPolarHBondContact O-CB 3.31Å; F179-L182 PolarHBondContact O-N 3.09Å; F179-L182 VanDerWaalsContact O-N 3.11Å; L182-T184 VanDerWaalsContact C-N 3.32Å; L182-T184 PolarHBondContact O-N 3.04Å; L182-Q185 PolarHBondContact O-N 2.72Å; L182-L186 WeakPolarHBondContact O-CB 3.48Å; L182-L186 PolarHBondContact O-N 3.16Å; L182-I207 HydrophobicContact CD2-CG2 3.94Å; L182-M208 HydrophobicContact CD1-CE 4.37Å; L182-E211 HydrophobicContact CD2-CB 3.64Å; L182-E211 HydrophobicContact CD2-CG 3.87Å |
| 183 | E | 94.8 | Very high | 89.5 | Confident | 36 Ų | 36 | 53.2 Ų | 53.2 | 17% | 0.168 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.2 | -42.6 | 174.7 | -66.1 | -160.5 | 166.9 | 0 | 0 | 112.4 | T70 F155 F179 E180 R181 Q185 L186 K187 | T70-E183 HydrophobicContact CG2-CB 4.41Å; T70-E183 VanDerWaalsContact OG1-CD 3.26Å; T70-E183 PolarHBondContact OG1-OE2 3.41Å; F155-E183 HydrophobicContact CE2-CG 3.89Å; F155-E183 VanDerWaalsContact CE2-OE1 3.3Å; F155-E183 WeakPolarHBondContact CE2-OE1 3.48Å; F179-E183 HydrophobicContact CD1-CG 3.92Å; F179-E183 HydrophobicContact CE1-CG 3.64Å; F179-E183 WeakPolarHBondContact CE1-OE1 3.33Å; F179-E183 HydrophobicContact CZ-CG 4.19Å; F179-E183 WeakPolarHBondContact O-CG 3.36Å; F179-E183 PolarHBondContact O-N 3Å; E180-E183 PolarHBondContact O-N 2.84Å; R181-E183 VanDerWaalsContact C-N 3.32Å; R181-E183 PolarHBondContact O-N 2.92Å; E183-Q185 VanDerWaalsContact C-N 3.35Å; E183-L186 PolarHBondContact O-N 2.75Å; E183-K187 WeakPolarHBondContact O-CB 3.41Å; E183-K187 WeakPolarHBondContact O-CD 3.36Å; E183-K187 VanDerWaalsContact O-CG 3.26Å; E183-K187 WeakPolarHBondContact O-CG 3.43Å; E183-K187 PolarHBondContact O-N 3.13Å; E183-K187 IonicContact OE2-NZ 2.85Å; E183-K187 PolarHBondContact OE2-NZ 2.96Å |
| 184 | T | 92.8 | Very high | 90.6 | Very high | 70 Ų | 70 | 51 Ų | 51 | 43% | 0.429 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -65.3 | -41.3 | -179.7 | -60.7 | 0 | 0 | 0 | 0 | 111 | E180 R181 L182 K187 A188 | E180-T184 PolarHBondContact O-N 3.33Å; E180-T184 PolarHBondContact O-OG1 2.83Å; R181-T184 WeakPolarHBondContact O-CB 3.44Å; R181-T184 PolarHBondContact O-N 3.42Å; R181-T184 VanDerWaalsContact O-N 3.16Å; L182-T184 VanDerWaalsContact C-N 3.32Å; L182-T184 PolarHBondContact O-N 3.04Å; T184-K187 PolarHBondContact O-N 2.96Å; T184-A188 PolarHBondContact O-N 3.36Å |
| 185 | Q | 94.8 | Very high | 91.7 | Very high | 14 Ų | 14 | 47 Ų | 47 | 7% | 0.065 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.7 | -42.9 | 174.2 | -69.4 | 168.8 | -19.1 | 0 | 0 | 111.4 | R181 L182 E183 A188 C189 I207 E211 L249 | R181-Q185 WeakPolarHBondContact O-CG 3.49Å; R181-Q185 PolarHBondContact O-N 2.79Å; L182-Q185 PolarHBondContact O-N 2.72Å; E183-Q185 VanDerWaalsContact C-N 3.35Å; Q185-A188 PolarHBondContact O-N 2.86Å; Q185-C189 PolarHBondContact O-N 3.03Å; Q185-C189 PolarHBondContact O-SG 2.97Å; Q185-I207 HydrophobicContact CB-CG2 3.85Å; Q185-I207 VanDerWaalsContact OE1-CG2 3.22Å; Q185-E211 PolarHBondContact NE2-OE2 3.38Å; Q185-L249 HydrophobicContact CB-CD1 4.17Å; Q185-L249 HydrophobicContact CB-CD2 3.88Å; Q185-L249 HydrophobicContact CG-CD1 3.77Å; Q185-L249 HydrophobicContact CG-CD2 3.86Å; Q185-L249 HydrophobicContact CG-CG 4.48Å |
| 186 | L | 96.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63 | -45.5 | 176.1 | -179.2 | 64.3 | 0 | 0 | 0 | 112 | A154 F155 L158 L182 E183 A188 C189 H190 L203 I207 | A154-L186 HydrophobicContact CB-CD1 3.71Å; A154-L186 HydrophobicContact CB-CD2 4.48Å; F155-L186 HydrophobicContact CB-CD2 3.68Å; F155-L186 HydrophobicContact CD2-CD2 4.15Å; F155-L186 HydrophobicContact CG-CD2 4.44Å; L158-L186 HydrophobicContact CD2-CB 4.09Å; L158-L186 HydrophobicContact CD2-CD2 3.98Å; L182-L186 WeakPolarHBondContact O-CB 3.48Å; L182-L186 PolarHBondContact O-N 3.16Å; E183-L186 PolarHBondContact O-N 2.75Å; L186-A188 VanDerWaalsContact C-N 3.29Å; L186-A188 PolarHBondContact O-N 3.46Å; L186-C189 WeakPolarHBondContact O-CB 3.39Å; L186-C189 PolarHBondContact O-N 3.21Å; L186-C189 VanDerWaalsContact O-N 3.14Å; L186-H190 PolarHBondContact O-N 2.82Å; L186-L203 HydrophobicContact CD1-CD2 4.02Å; L186-L203 HydrophobicContact CD1-CG 4.34Å; L186-I207 HydrophobicContact CB-CD1 3.95Å; L186-I207 HydrophobicContact CD1-CD1 3.73Å; L186-I207 HydrophobicContact CG-CD1 4.47Å |
| 187 | K | 95.6 | Very high | 93.4 | Very high | 40 Ų | 40 | 37 Ų | 37 | 17% | 0.174 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -57.4 | -42.6 | 176 | -74 | 161.7 | -179.9 | 156.7 | 0 | 111.4 | L60 T70 F73 E183 T184 H190 C191 | L60-K187 HydrophobicContact CD1-CB 4.14Å; L60-K187 HydrophobicContact CD1-CD 4.07Å; L60-K187 HydrophobicContact CD1-CG 3.96Å; L60-K187 HydrophobicContact CD2-CB 4.4Å; T70-K187 HydrophobicContact CG2-CD 4.48Å; T70-K187 HydrophobicContact CG2-CG 4.19Å; T70-K187 WeakPolarHBondContact OG1-CE 3.46Å; T70-K187 PolarHBondContact OG1-NZ 2.99Å; F73-K187 HydrophobicContact CD1-CG 4.07Å; F73-K187 HydrophobicContact CE1-CB 4.3Å; F73-K187 HydrophobicContact CE1-CG 4.17Å; E183-K187 WeakPolarHBondContact O-CB 3.41Å; E183-K187 WeakPolarHBondContact O-CD 3.36Å; E183-K187 VanDerWaalsContact O-CG 3.26Å; E183-K187 WeakPolarHBondContact O-CG 3.43Å; E183-K187 PolarHBondContact O-N 3.13Å; E183-K187 IonicContact OE2-NZ 2.85Å; E183-K187 PolarHBondContact OE2-NZ 2.96Å; T184-K187 PolarHBondContact O-N 2.96Å; K187-H190 PolarHBondContact O-N 2.88Å; K187-C191 PolarHBondContact O-N 2.87Å; K187-C191 PolarHBondContact O-SG 3.1Å |
| 188 | A | 94.5 | Very high | 93.9 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.008 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.7 | -42.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | T184 Q185 L186 C191 L249 Y252 | T184-A188 PolarHBondContact O-N 3.36Å; Q185-A188 PolarHBondContact O-N 2.86Å; L186-A188 VanDerWaalsContact C-N 3.29Å; L186-A188 PolarHBondContact O-N 3.46Å; A188-C191 WeakPolarHBondContact O-CB 3.42Å; A188-C191 PolarHBondContact O-N 3.25Å; A188-L249 HydrophobicContact CB-CD2 4.08Å; A188-Y252 HydrophobicContact CB-CD1 3.93Å; A188-Y252 HydrophobicContact CB-CD2 3.89Å; A188-Y252 HydrophobicContact CB-CE1 4.12Å; A188-Y252 HydrophobicContact CB-CE2 4.09Å; A188-Y252 HydrophobicContact CB-CG 3.82Å |
| 189 | C | 96.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.2 | -46 | 175.9 | -65.3 | 0 | 0 | 0 | 0 | 111.5 | Q185 L186 C191 R192 F195 L203 | Q185-C189 PolarHBondContact O-N 3.03Å; Q185-C189 PolarHBondContact O-SG 2.97Å; L186-C189 WeakPolarHBondContact O-CB 3.39Å; L186-C189 PolarHBondContact O-N 3.21Å; L186-C189 VanDerWaalsContact O-N 3.14Å; C189-C191 PolarHBondContact O-N 2.92Å; C189-C191 VanDerWaalsContact O-N 3.1Å; C189-R192 PolarHBondContact O-N 3.37Å; C189-F195 HydrophobicContact CB-CD1 4.45Å; C189-F195 HydrophobicContact CB-CD2 3.86Å; C189-F195 HydrophobicContact CB-CE2 4.11Å; C189-F195 HydrophobicContact CB-CG 4.03Å; C189-F195 WeakPolarHBondContact O-CD2 3.33Å; C189-L203 HydrophobicContact CB-CD1 4.21Å |
| 190 | H | 96.4 | Very high | 94.4 | Very high | 20 Ų | 20 | 36.3 Ų | 36.3 | 9% | 0.093 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58 | -28.3 | 177.9 | -77.7 | 156.9 | 0 | 0 | 0 | 113.4 | R52 V56 F73 S74 V77 L186 K187 R192 | R52-H190 PolarHBondContact NH1-O 3.05Å; R52-H190 PolarHBondContact NH2-O 3.31Å; R52-H190 VanDerWaalsContact NH2-O 3.16Å; V56-H190 WeakPolarHBondContact CG1-O 3.43Å; F73-H190 HydrophobicContact CE1-CB 3.67Å; F73-H190 AromaticContact CE1-ND1 3.87Å; F73-H190 HydrophobicContact CZ-CB 4.03Å; S74-H190 PolarHBondContact OG-CE1 3.35Å; V77-H190 HydrophobicContact CG1-CB 4.35Å; V77-H190 HydrophobicContact CG2-CB 4.33Å; L186-H190 PolarHBondContact O-N 2.82Å; K187-H190 PolarHBondContact O-N 2.88Å; H190-R192 PolarHBondContact O-N 2.9Å; H190-R192 VanDerWaalsContact O-N 3.13Å |
| 191 | C | 95.2 | Very high | 94.7 | Very high | 4 Ų | 4 | 30.2 Ų | 30.2 | 3% | 0.027 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -3.6 | 175.4 | -66.1 | 0 | 0 | 0 | 0 | 114.7 | D53 K57 K187 A188 C189 | D53-C191 WeakPolarHBondContact CB-O 3.33Å; K57-C191 HydrophobicContact CG-CB 4.23Å; K187-C191 PolarHBondContact O-N 2.87Å; K187-C191 PolarHBondContact O-SG 3.1Å; A188-C191 WeakPolarHBondContact O-CB 3.42Å; A188-C191 PolarHBondContact O-N 3.25Å; C189-C191 PolarHBondContact O-N 2.92Å; C189-C191 VanDerWaalsContact O-N 3.1Å |
| 192 | R | 94.4 | Very high | 95 | Very high | 78 Ų | 78 | 26.2 Ų | 26.2 | 29% | 0.294 | 13% | 0.126 | S | C | . | . | S | Bend | trans | -118.9 | 124.7 | 174.7 | -56.8 | -64.3 | -156.7 | 162.1 | 9.1 | 110.8 | R52 D53 C189 H190 M194 F195 E251 | R52-R192 VanDerWaalsContact NH1-C 3.32Å; D53-R192 WeakPolarHBondContact OD1-CA 3.12Å; C189-R192 PolarHBondContact O-N 3.37Å; H190-R192 PolarHBondContact O-N 2.9Å; H190-R192 VanDerWaalsContact O-N 3.13Å; R192-M194 HydrophobicContact CB-CG 3.95Å; R192-M194 HydrophobicContact CB-SD 4.39Å; R192-M194 PolarHBondContact O-N 2.91Å; R192-F195 HydrophobicContact CB-CD2 3.85Å; R192-F195 HydrophobicContact CB-CE2 4.02Å; R192-F195 HydrophobicContact CG-CE2 4.37Å; R192-F195 PolarHBondContact O-N 3Å; R192-E251 IonicContact CZ-OE2 2.86Å; R192-E251 IonicContact NH2-OE2 2.67Å; R192-E251 PolarHBondContact NH2-OE2 2.85Å |
| 193 | I | 94.1 | Very high | 95.1 | Very high | 7 Ų | 7 | 26.4 Ų | 26.4 | 4% | 0.036 | 13% | 0.127 | C | C | . | . | G | 310 helix | trans | -56.8 | -29 | -177 | -164.2 | 169.5 | 0 | 0 | 0 | 113.8 | L34 I37 E38 A49 R52 D53 F195 S196 | L34-I193 HydrophobicContact CD2-CD1 4.43Å; L34-I193 HydrophobicContact CD2-CG1 4.43Å; I37-I193 HydrophobicContact CB-CD1 4.02Å; I37-I193 HydrophobicContact CG2-CD1 3.47Å; I37-I193 VanDerWaalsContact CG2-CD1 3.47Å; E38-I193 HydrophobicContact CG-CG2 3.91Å; A49-I193 HydrophobicContact CB-CG2 3.65Å; R52-I193 HydrophobicContact CB-CD1 4.32Å; R52-I193 HydrophobicContact CG-CD1 4.12Å; R52-I193 HydrophobicContact CG-CG1 4.42Å; D53-I193 PolarHBondContact OD1-N 3.29Å; I193-F195 PolarHBondContact O-N 3.37Å; I193-F195 VanDerWaalsContact O-N 3.17Å; I193-S196 VanDerWaalsContact O-CB 3.29Å; I193-S196 WeakPolarHBondContact O-CB 3.4Å; I193-S196 PolarHBondContact O-N 3.31Å; I193-S196 PolarHBondContact O-OG 3.44Å |
| 194 | M | 93.7 | Very high | 95.2 | Very high | 55 Ų | 55 | 24.7 Ų | 24.7 | 27% | 0.271 | 12% | 0.119 | S | C | . | . | G | 310 helix | trans | -56.1 | -34.5 | -177.5 | 63.8 | -170.6 | -74.3 | 0 | 0 | 113.1 | R192 S196 K197 W241 L244 | R192-M194 HydrophobicContact CB-CG 3.95Å; R192-M194 HydrophobicContact CB-SD 4.39Å; R192-M194 PolarHBondContact O-N 2.91Å; M194-S196 VanDerWaalsContact C-N 3.29Å; M194-S196 PolarHBondContact O-N 3.14Å; M194-K197 WeakPolarHBondContact O-CB 3.5Å; M194-K197 VanDerWaalsContact O-CE 3.3Å; M194-K197 WeakPolarHBondContact O-CE 3.48Å; M194-K197 PolarHBondContact O-N 3.32Å; M194-W241 WeakPolarHBondContact O-CH2 3.46Å; M194-L244 HydrophobicContact CE-CB 3.87Å; M194-L244 HydrophobicContact CE-CD1 3.68Å; M194-L244 HydrophobicContact CE-CD2 3.78Å; M194-L244 HydrophobicContact CE-CG 3.97Å |
| 195 | F | 95.4 | Very high | 95.4 | Very high | 5 Ų | 5 | 21.3 Ų | 21.3 | 2% | 0.022 | 10% | 0.099 | C | C | . | . | G | 310 helix | trans | -76.4 | -15.7 | -179.3 | -64.7 | -73.2 | 0 | 0 | 0 | 113.3 | C189 R192 I193 K197 A198 L203 W241 L244 V245 C248 | C189-F195 HydrophobicContact CB-CD1 4.45Å; C189-F195 HydrophobicContact CB-CD2 3.86Å; C189-F195 HydrophobicContact CB-CE2 4.11Å; C189-F195 HydrophobicContact CB-CG 4.03Å; C189-F195 WeakPolarHBondContact O-CD2 3.33Å; R192-F195 HydrophobicContact CB-CD2 3.85Å; R192-F195 HydrophobicContact CB-CE2 4.02Å; R192-F195 HydrophobicContact CG-CE2 4.37Å; R192-F195 PolarHBondContact O-N 3Å; I193-F195 PolarHBondContact O-N 3.37Å; I193-F195 VanDerWaalsContact O-N 3.17Å; F195-K197 PolarHBondContact O-N 3.26Å; F195-K197 VanDerWaalsContact O-N 3.16Å; F195-A198 WeakPolarHBondContact O-CB 3.5Å; F195-A198 PolarHBondContact O-N 2.68Å; F195-L203 HydrophobicContact CB-CD1 4.41Å; F195-L203 HydrophobicContact CB-CD2 4.17Å; F195-L203 HydrophobicContact CD1-CD1 3.6Å; F195-L203 HydrophobicContact CE1-CD1 4.21Å; F195-L203 HydrophobicContact CG-CD1 4.22Å; F195-W241 HydrophobicContact CD1-CE3 4.08Å; F195-W241 HydrophobicContact CD1-CZ3 4.07Å; F195-W241 HydrophobicContact CE1-CE3 4.35Å; F195-L244 HydrophobicContact CE1-CB 4.14Å; F195-L244 HydrophobicContact CZ-CB 4.39Å; F195-V245 HydrophobicContact CD1-CG2 4.31Å; F195-V245 HydrophobicContact CE1-CB 4.41Å; F195-V245 HydrophobicContact CE1-CG2 3.56Å; F195-V245 HydrophobicContact CZ-CG2 4.18Å; F195-C248 HydrophobicContact CE2-CB 3.69Å; F195-C248 HydrophobicContact CZ-CB 3.66Å |
| 196 | S | 93.9 | Very high | 95.5 | Very high | 16 Ų | 16 | 20.7 Ų | 20.7 | 11% | 0.112 | 10% | 0.096 | C | C | . | . | G | 310 helix | trans | -65.8 | -14.5 | 171.5 | -23.4 | 0 | 0 | 0 | 0 | 112.6 | P29 R52 D81 I193 M194 | P29-S196 WeakPolarHBondContact CG-O 3.4Å; R52-S196 PolarHBondContact NH2-OG 3.02Å; R52-S196 VanDerWaalsContact NH2-OG 3.16Å; D81-S196 WeakPolarHBondContact OD2-CB 3.42Å; D81-S196 PolarHBondContact OD2-OG 3.45Å; I193-S196 VanDerWaalsContact O-CB 3.29Å; I193-S196 WeakPolarHBondContact O-CB 3.4Å; I193-S196 PolarHBondContact O-N 3.31Å; I193-S196 PolarHBondContact O-OG 3.44Å; M194-S196 VanDerWaalsContact C-N 3.29Å; M194-S196 PolarHBondContact O-N 3.14Å |
| 197 | K | 92.8 | Very high | 95.5 | Very high | 85 Ų | 85 | 20.7 Ų | 20.7 | 37% | 0.37 | 10% | 0.096 | S | C | . | . | G | 310 helix | trans | -86.2 | -18.6 | 172.8 | -62.2 | 177.8 | -68.2 | -162.6 | 0 | 112.8 | L34 E38 M194 F195 W241 | L34-K197 HydrophobicContact CB-CG 4.39Å; L34-K197 HydrophobicContact CD1-CG 3.67Å; E38-K197 WeakPolarHBondContact OE1-CE 3.42Å; E38-K197 IonicContact OE1-NZ 2.77Å; E38-K197 PolarHBondContact OE1-NZ 2.76Å; E38-K197 IonicContact OE2-NZ 3.55Å; E38-K197 PolarHBondContact OE2-NZ 2.78Å; M194-K197 WeakPolarHBondContact O-CB 3.5Å; M194-K197 VanDerWaalsContact O-CE 3.3Å; M194-K197 WeakPolarHBondContact O-CE 3.48Å; M194-K197 PolarHBondContact O-N 3.32Å; F195-K197 PolarHBondContact O-N 3.26Å; F195-K197 VanDerWaalsContact O-N 3.16Å; K197-W241 HydrophobicContact CB-CH2 4.06Å; K197-W241 HydrophobicContact CB-CZ2 4.46Å |
| 198 | A | 93.8 | Very high | 95.5 | Very high | 6 Ų | 6 | 18.8 Ų | 18.8 | 5% | 0.05 | 9% | 0.088 | C | C | . | . | S | Bend | trans | -73.8 | 148.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | F195 L203 W241 | F195-A198 WeakPolarHBondContact O-CB 3.5Å; F195-A198 PolarHBondContact O-N 2.68Å; A198-L203 HydrophobicContact CB-CB 4.23Å; A198-W241 HydrophobicContact CB-CD2 3.74Å; A198-W241 HydrophobicContact CB-CE3 3.78Å; A198-W241 HydrophobicContact CB-CG 4.47Å; A198-W241 HydrophobicContact CB-CH2 3.78Å; A198-W241 HydrophobicContact CB-CZ2 3.73Å; A198-W241 HydrophobicContact CB-CZ3 3.8Å |
| 199 | K | 94.8 | Very high | 95.5 | Very high | 91 Ų | 91 | 18.8 Ų | 18.8 | 40% | 0.396 | 9% | 0.088 | S | C | . | . | trans | -65 | 135.5 | 164.5 | -59.3 | -165.2 | 172.3 | 179.1 | 0 | 108.7 | E24 S201 V202 L203 | E24-K199 WeakPolarHBondContact OE1-CB 3.35Å; K199-S201 VanDerWaalsContact C-N 3.26Å; K199-S201 PolarHBondContact O-N 3.33Å; K199-V202 HydrophobicContact CB-CB 4.1Å; K199-V202 HydrophobicContact CB-CG2 3.78Å; K199-V202 HydrophobicContact CD-CG2 4.26Å; K199-V202 HydrophobicContact CG-CG2 4.28Å; K199-V202 PolarHBondContact O-N 3.48Å; K199-V202 VanDerWaalsContact O-N 3.08Å; K199-L203 PolarHBondContact O-N 3.34Å | ||
| 200 | P | 95.9 | Very high | 95.4 | Very high | 15 Ų | 15 | 19.5 Ų | 19.5 | 10% | 0.097 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -48.8 | -42.9 | 175.7 | -32.5 | 35.9 | 0 | 0 | 0 | 114.9 | E24 A154 F157 L203 A204 | E24-P200 HydrophobicContact CG-CG 4.13Å; E24-P200 VanDerWaalsContact OE1-CD 3.29Å; E24-P200 WeakPolarHBondContact OE1-CD 3.46Å; E24-P200 VanDerWaalsContact OE1-N 3.16Å; A154-P200 HydrophobicContact CB-CB 4.16Å; F157-P200 HydrophobicContact CD2-CB 3.71Å; F157-P200 HydrophobicContact CE2-CB 3.83Å; P200-L203 PolarHBondContact O-N 3.45Å; P200-A204 WeakPolarHBondContact O-CB 3.36Å; P200-A204 PolarHBondContact O-N 3.04Å |
| 201 | S | 96.5 | Very high | 95.2 | Very high | 1 Ų | 1 | 18.5 Ų | 18.5 | 1% | 0.007 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -59.9 | -48.2 | 175.1 | 54 | 0 | 0 | 0 | 0 | 112.1 | E24 Y161 K199 A204 L205 | E24-S201 WeakPolarHBondContact OE1-CB 3.19Å; E24-S201 PolarHBondContact OE1-N 3.39Å; E24-S201 PolarHBondContact OE1-OG 3.1Å; E24-S201 PolarHBondContact OE2-OG 3.42Å; Y161-S201 WeakPolarHBondContact CE2-O 3.46Å; Y161-S201 WeakPolarHBondContact OH-CB 3.26Å; K199-S201 VanDerWaalsContact C-N 3.26Å; K199-S201 PolarHBondContact O-N 3.33Å; S201-A204 PolarHBondContact O-N 2.97Å; S201-L205 WeakPolarHBondContact O-CB 3.33Å; S201-L205 PolarHBondContact O-N 2.92Å |
| 202 | V | 96.9 | Very high | 95 | Very high | 6 Ų | 6 | 18.5 Ų | 18.5 | 4% | 0.036 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -63.5 | -44.4 | 179 | 179.2 | 0 | 0 | 0 | 0 | 110.9 | K199 L205 S206 I233 W241 | K199-V202 HydrophobicContact CB-CB 4.1Å; K199-V202 HydrophobicContact CB-CG2 3.78Å; K199-V202 HydrophobicContact CD-CG2 4.26Å; K199-V202 HydrophobicContact CG-CG2 4.28Å; K199-V202 PolarHBondContact O-N 3.48Å; K199-V202 VanDerWaalsContact O-N 3.08Å; V202-L205 PolarHBondContact O-N 2.65Å; V202-S206 WeakPolarHBondContact O-CB 3.31Å; V202-S206 PolarHBondContact O-N 2.89Å; V202-S206 PolarHBondContact O-OG 3.4Å; V202-I233 HydrophobicContact CG1-CG2 4.49Å; V202-I233 HydrophobicContact CG2-CB 4.49Å; V202-I233 HydrophobicContact CG2-CD1 3.88Å; V202-I233 HydrophobicContact CG2-CG1 3.81Å; V202-I233 HydrophobicContact CG2-CG2 3.92Å; V202-W241 HydrophobicContact CG1-CB 4.02Å; V202-W241 VanDerWaalsContact CG1-CD1 3.45Å; V202-W241 HydrophobicContact CG1-CG 3.89Å |
| 203 | L | 97.1 | Very high | 94.8 | Very high | 4 Ų | 4 | 19.7 Ų | 19.7 | 2% | 0.021 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -61.1 | -46.7 | 177.5 | 179.4 | 59.4 | 0 | 0 | 0 | 111.7 | A154 L186 C189 F195 A198 K199 P200 S206 I207 V245 | A154-L203 HydrophobicContact CB-CD2 4.07Å; A154-L203 HydrophobicContact CB-CG 4.47Å; L186-L203 HydrophobicContact CD1-CD2 4.02Å; L186-L203 HydrophobicContact CD1-CG 4.34Å; C189-L203 HydrophobicContact CB-CD1 4.21Å; F195-L203 HydrophobicContact CB-CD1 4.41Å; F195-L203 HydrophobicContact CB-CD2 4.17Å; F195-L203 HydrophobicContact CD1-CD1 3.6Å; F195-L203 HydrophobicContact CE1-CD1 4.21Å; F195-L203 HydrophobicContact CG-CD1 4.22Å; A198-L203 HydrophobicContact CB-CB 4.23Å; K199-L203 PolarHBondContact O-N 3.34Å; P200-L203 PolarHBondContact O-N 3.45Å; L203-S206 PolarHBondContact O-N 3.38Å; L203-I207 HydrophobicContact CD1-CD1 4.17Å; L203-I207 HydrophobicContact CD1-CG1 4.49Å; L203-I207 HydrophobicContact CG-CD1 4.15Å; L203-I207 WeakPolarHBondContact O-CG1 3.49Å; L203-I207 PolarHBondContact O-N 2.99Å; L203-V245 HydrophobicContact CD1-CG2 3.83Å |
| 204 | A | 97.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -62.4 | -45 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A154 F157 L158 Y161 P200 S201 I207 M208 | A154-A204 WeakPolarHBondContact O-CB 3.43Å; F157-A204 HydrophobicContact CB-CB 3.6Å; L158-A204 HydrophobicContact CB-CB 4.07Å; L158-A204 HydrophobicContact CD1-CB 4.41Å; Y161-A204 HydrophobicContact CD2-CB 3.97Å; Y161-A204 HydrophobicContact CE2-CB 3.94Å; P200-A204 WeakPolarHBondContact O-CB 3.36Å; P200-A204 PolarHBondContact O-N 3.04Å; S201-A204 PolarHBondContact O-N 2.97Å; A204-I207 PolarHBondContact O-N 2.9Å; A204-M208 WeakPolarHBondContact O-CB 3.35Å; A204-M208 PolarHBondContact O-N 2.85Å |
| 205 | L | 96.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -67 | -37.2 | 178.1 | -165.8 | 68 | 0 | 0 | 0 | 111.9 | Y161 S201 V202 M208 A209 L224 L227 Q228 I233 L238 | Y161-L205 HydrophobicContact CD2-CB 4.38Å; Y161-L205 HydrophobicContact CD2-CD1 4.25Å; Y161-L205 HydrophobicContact CE2-CB 3.94Å; Y161-L205 HydrophobicContact CE2-CD1 4.29Å; S201-L205 WeakPolarHBondContact O-CB 3.33Å; S201-L205 PolarHBondContact O-N 2.92Å; V202-L205 PolarHBondContact O-N 2.65Å; L205-M208 PolarHBondContact O-N 3.02Å; L205-A209 VanDerWaalsContact O-CB 3.26Å; L205-A209 WeakPolarHBondContact O-CB 3.46Å; L205-A209 PolarHBondContact O-N 3.41Å; L205-L224 HydrophobicContact CD1-CD1 3.48Å; L205-L224 VanDerWaalsContact CD1-CD1 3.48Å; L205-L224 HydrophobicContact CD1-CG 4.44Å; L205-L224 HydrophobicContact CG-CD1 4.14Å; L205-L227 HydrophobicContact CD1-CB 4.14Å; L205-Q228 HydrophobicContact CD2-CB 3.87Å; L205-Q228 HydrophobicContact CD2-CG 4.12Å; L205-I233 HydrophobicContact CB-CD1 4.28Å; L205-I233 HydrophobicContact CD2-CD1 3.63Å; L205-L238 HydrophobicContact CB-CD1 4.16Å; L205-L238 HydrophobicContact CD2-CD1 4.05Å; L205-L238 HydrophobicContact CD2-CD2 4.16Å; L205-L238 HydrophobicContact CG-CD1 4.06Å |
| 206 | S | 97.6 | Very high | 94 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.5 | -43.3 | 173.9 | -71 | 0 | 0 | 0 | 0 | 112.5 | V202 L203 L210 W241 K242 | V202-S206 WeakPolarHBondContact O-CB 3.31Å; V202-S206 PolarHBondContact O-N 2.89Å; V202-S206 PolarHBondContact O-OG 3.4Å; L203-S206 PolarHBondContact O-N 3.38Å; S206-L210 WeakPolarHBondContact O-CG 3.33Å; S206-L210 PolarHBondContact O-N 2.87Å; S206-L210 VanDerWaalsContact O-N 3.14Å; S206-W241 WeakPolarHBondContact OG-CB 3.49Å; S206-K242 PolarHBondContact OG-N 3.02Å |
| 207 | I | 96.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.3 | -45.9 | 176.1 | -68.9 | 166.3 | 0 | 0 | 0 | 109.8 | L158 L182 Q185 L186 L203 A204 L210 E211 V245 | L158-I207 HydrophobicContact CD1-CB 4.42Å; L158-I207 HydrophobicContact CD1-CG2 4.19Å; L182-I207 HydrophobicContact CD2-CG2 3.94Å; Q185-I207 HydrophobicContact CB-CG2 3.85Å; Q185-I207 VanDerWaalsContact OE1-CG2 3.22Å; L186-I207 HydrophobicContact CB-CD1 3.95Å; L186-I207 HydrophobicContact CD1-CD1 3.73Å; L186-I207 HydrophobicContact CG-CD1 4.47Å; L203-I207 HydrophobicContact CD1-CD1 4.17Å; L203-I207 HydrophobicContact CD1-CG1 4.49Å; L203-I207 HydrophobicContact CG-CD1 4.15Å; L203-I207 WeakPolarHBondContact O-CG1 3.49Å; L203-I207 PolarHBondContact O-N 2.99Å; A204-I207 PolarHBondContact O-N 2.9Å; I207-L210 PolarHBondContact O-N 3.15Å; I207-E211 PolarHBondContact O-N 3.16Å; I207-E211 VanDerWaalsContact O-N 3.08Å; I207-V245 HydrophobicContact CG1-CG1 3.95Å; I207-V245 HydrophobicContact CG1-CG2 4.37Å |
| 208 | M | 95.1 | Very high | 93 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.5 | -45.6 | 179.2 | -168.2 | 156.1 | -59.5 | 0 | 0 | 113.1 | L158 Y161 H162 I165 L182 A204 L205 L210 E211 I212 L224 | L158-M208 HydrophobicContact CD1-CE 3.85Å; Y161-M208 WeakPolarHBondContact CB-SD 3.38Å; Y161-M208 HydrophobicContact CG-SD 4.49Å; H162-M208 HydrophobicContact CB-CE 4.04Å; I165-M208 HydrophobicContact CD1-CG 3.88Å; I165-M208 HydrophobicContact CD1-SD 3.33Å; I165-M208 WeakPolarHBondContact CD1-SD 3.49Å; I165-M208 HydrophobicContact CG1-SD 4.16Å; L182-M208 HydrophobicContact CD1-CE 4.37Å; A204-M208 WeakPolarHBondContact O-CB 3.35Å; A204-M208 PolarHBondContact O-N 2.85Å; L205-M208 PolarHBondContact O-N 3.02Å; M208-L210 VanDerWaalsContact C-N 3.31Å; M208-L210 PolarHBondContact O-N 3.34Å; M208-E211 PolarHBondContact O-N 3.13Å; M208-I212 HydrophobicContact CG-CD1 3.93Å; M208-I212 WeakPolarHBondContact O-CG1 3.26Å; M208-I212 PolarHBondContact O-N 3.31Å; M208-L224 HydrophobicContact CG-CD1 4.45Å |
| 209 | A | 94.6 | Very high | 92.4 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.008 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -58.9 | -43 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L205 I212 E213 L224 K242 | L205-A209 VanDerWaalsContact O-CB 3.26Å; L205-A209 WeakPolarHBondContact O-CB 3.46Å; L205-A209 PolarHBondContact O-N 3.41Å; A209-I212 PolarHBondContact O-N 3.19Å; A209-E213 WeakPolarHBondContact O-CB 3.42Å; A209-E213 WeakPolarHBondContact O-CG 3.46Å; A209-E213 PolarHBondContact O-N 2.88Å; A209-L224 HydrophobicContact CB-CD1 4.21Å; A209-L224 HydrophobicContact CB-CD2 3.64Å; A209-K242 HydrophobicContact CB-CD 4.04Å |
| 210 | L | 94.1 | Very high | 91.9 | Very high | 15 Ų | 15 | 34.6 Ų | 34.6 | 8% | 0.079 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.9 | -44.7 | 176.1 | -77.6 | 170 | 0 | 0 | 0 | 112.4 | S206 I207 M208 I212 E213 E214 K242 V245 L246 | S206-L210 WeakPolarHBondContact O-CG 3.33Å; S206-L210 PolarHBondContact O-N 2.87Å; S206-L210 VanDerWaalsContact O-N 3.14Å; I207-L210 PolarHBondContact O-N 3.15Å; M208-L210 VanDerWaalsContact C-N 3.31Å; M208-L210 PolarHBondContact O-N 3.34Å; L210-I212 VanDerWaalsContact C-N 3.33Å; L210-I212 PolarHBondContact O-N 3.12Å; L210-E213 PolarHBondContact O-N 3.33Å; L210-E214 WeakPolarHBondContact O-CB 3.4Å; L210-E214 PolarHBondContact O-N 3.03Å; L210-K242 HydrophobicContact CD1-CG 4.06Å; L210-K242 HydrophobicContact CD2-CD 3.99Å; L210-K242 HydrophobicContact CD2-CG 3.58Å; L210-K242 HydrophobicContact CG-CD 4.11Å; L210-K242 HydrophobicContact CG-CG 3.47Å; L210-K242 VanDerWaalsContact CG-CG 3.47Å; L210-V245 HydrophobicContact CD1-CB 3.63Å; L210-V245 HydrophobicContact CD1-CG1 3.36Å; L210-L246 HydrophobicContact CD1-CB 4.21Å; L210-L246 HydrophobicContact CD2-CB 4.09Å; L210-L246 HydrophobicContact CD2-CD1 4.44Å |
| 211 | E | 92.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65 | -40.4 | -179.9 | -170.2 | 62 | -145.6 | 0 | 0 | 111.2 | L177 R181 L182 Q185 I207 M208 E213 E214 Q215 | L177-E211 HydrophobicContact CD1-CB 4.4Å; L177-E211 HydrophobicContact CD1-CG 3.91Å; R181-E211 VanDerWaalsContact CD-OE1 3.24Å; R181-E211 WeakPolarHBondContact CD-OE1 3.36Å; R181-E211 WeakPolarHBondContact CD-OE2 3.45Å; R181-E211 IonicContact CZ-OE1 3.76Å; R181-E211 IonicContact CZ-OE2 3.35Å; R181-E211 VanDerWaalsContact NE-CD 3.25Å; R181-E211 IonicContact NE-OE1 3.32Å; R181-E211 PolarHBondContact NE-OE1 3.48Å; R181-E211 IonicContact NE-OE2 3.8Å; R181-E211 PolarHBondContact NE-OE2 3.05Å; R181-E211 IonicContact NH1-OE1 3.07Å; R181-E211 IonicContact NH2-OE1 2.97Å; R181-E211 IonicContact NH2-OE2 4Å; L182-E211 HydrophobicContact CD2-CB 3.64Å; L182-E211 HydrophobicContact CD2-CG 3.87Å; Q185-E211 PolarHBondContact NE2-OE2 3.38Å; I207-E211 PolarHBondContact O-N 3.16Å; I207-E211 VanDerWaalsContact O-N 3.08Å; M208-E211 PolarHBondContact O-N 3.13Å; E211-E213 PolarHBondContact O-N 2.85Å; E211-E214 PolarHBondContact O-N 2.99Å; E211-Q215 HydrophobicContact CG-CG 4.43Å; E211-Q215 WeakPolarHBondContact O-CB 3.25Å; E211-Q215 VanDerWaalsContact O-CG 3.31Å; E211-Q215 WeakPolarHBondContact O-CG 3.19Å; E211-Q215 PolarHBondContact O-N 3.15Å; E211-Q215 WeakPolarHBondContact OE1-CG 3.44Å; E211-Q215 PolarHBondContact OE1-NE2 3.47Å |
| 212 | I | 90.5 | Very high | 90.9 | Very high | 3 Ų | 3 | 44 Ų | 44 | 2% | 0.015 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.5 | -44.5 | 175.5 | -71.5 | 168.6 | 0 | 0 | 0 | 111.3 | I165 L177 M208 A209 L210 K216 L217 L220 L224 | I165-I212 HydrophobicContact CD1-CD1 3.63Å; L177-I212 HydrophobicContact CD1-CG1 4.38Å; M208-I212 HydrophobicContact CG-CD1 3.93Å; M208-I212 WeakPolarHBondContact O-CG1 3.26Å; M208-I212 PolarHBondContact O-N 3.31Å; A209-I212 PolarHBondContact O-N 3.19Å; L210-I212 VanDerWaalsContact C-N 3.33Å; L210-I212 PolarHBondContact O-N 3.12Å; I212-K216 PolarHBondContact O-N 3.26Å; I212-K216 VanDerWaalsContact O-N 3.11Å; I212-L217 HydrophobicContact CG2-CB 4.15Å; I212-L217 WeakPolarHBondContact CG2-O 3.33Å; I212-L217 PolarHBondContact O-N 3.46Å; I212-L220 HydrophobicContact CD1-CB 4.06Å; I212-L220 HydrophobicContact CD1-CD1 4.16Å; I212-L220 HydrophobicContact CG1-CB 4.43Å; I212-L220 HydrophobicContact CG1-CD1 4.01Å; I212-L220 HydrophobicContact CG2-CB 4.02Å; I212-L224 HydrophobicContact CD1-CD1 4.2Å |
| 213 | E | 90.8 | Very high | 90.5 | Very high | 104 Ų | 104 | 44.6 Ų | 44.6 | 49% | 0.486 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -64.3 | -43 | 176.6 | -76.3 | 173.4 | -168.1 | 0 | 0 | 111.8 | A209 L210 E211 K216 K242 | A209-E213 WeakPolarHBondContact O-CB 3.42Å; A209-E213 WeakPolarHBondContact O-CG 3.46Å; A209-E213 PolarHBondContact O-N 2.88Å; L210-E213 PolarHBondContact O-N 3.33Å; E211-E213 PolarHBondContact O-N 2.85Å; E213-K216 PolarHBondContact O-N 3.23Å; E213-K242 IonicContact OE1-NZ 2.7Å; E213-K242 PolarHBondContact OE1-NZ 3.11Å; E213-K242 IonicContact OE2-NZ 3.49Å; E213-K242 PolarHBondContact OE2-NZ 3.06Å |
| 214 | E | 89.8 | Confident | 90.1 | Very high | 113 Ų | 113 | 45.3 Ų | 45.3 | 53% | 0.528 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -66 | -40.4 | -179.5 | -166.1 | 179.1 | 166.2 | 0 | 0 | 112 | R181 L210 E211 K216 | R181-E214 IonicContact CZ-OE1 2.97Å; R181-E214 IonicContact CZ-OE2 3.81Å; R181-E214 IonicContact NH2-OE1 2.65Å; R181-E214 PolarHBondContact NH2-OE1 3.13Å; R181-E214 IonicContact NH2-OE2 2.68Å; R181-E214 PolarHBondContact NH2-OE2 3.4Å; L210-E214 WeakPolarHBondContact O-CB 3.4Å; L210-E214 PolarHBondContact O-N 3.03Å; E211-E214 PolarHBondContact O-N 2.99Å; E214-K216 PolarHBondContact O-N 2.93Å |
| 215 | Q | 88.9 | Confident | 89.8 | Confident | 56 Ų | 56 | 51 Ų | 51 | 26% | 0.262 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | 0 | 175.9 | -58.2 | -52.6 | -34.1 | 0 | 0 | 113.6 | E211 L217 | E211-Q215 HydrophobicContact CG-CG 4.43Å; E211-Q215 WeakPolarHBondContact O-CB 3.25Å; E211-Q215 VanDerWaalsContact O-CG 3.31Å; E211-Q215 WeakPolarHBondContact O-CG 3.19Å; E211-Q215 PolarHBondContact O-N 3.15Å; E211-Q215 WeakPolarHBondContact OE1-CG 3.44Å; E211-Q215 PolarHBondContact OE1-NE2 3.47Å; Q215-L217 VanDerWaalsContact C-N 3.26Å; Q215-L217 HydrophobicContact CB-CD1 3.91Å; Q215-L217 HydrophobicContact CB-CG 3.84Å; Q215-L217 PolarHBondContact O-N 3.37Å |
| 216 | K | 86.6 | Confident | 89.5 | Confident | 176 Ų | 176 | 56.1 Ų | 56.1 | 77% | 0.765 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 36.8 | -178.8 | -56.7 | 178.4 | 179.4 | 177.5 | 0 | 113.6 | I212 E213 E214 L218 | I212-K216 PolarHBondContact O-N 3.26Å; I212-K216 VanDerWaalsContact O-N 3.11Å; E213-K216 PolarHBondContact O-N 3.23Å; E214-K216 PolarHBondContact O-N 2.93Å; K216-L218 VanDerWaalsContact C-N 3.27Å; K216-L218 PolarHBondContact O-N 3.19Å |
| 217 | L | 84.7 | Confident | 89.3 | Confident | 7 Ų | 7 | 56.3 Ų | 56.3 | 4% | 0.037 | 27% | 0.271 | C | S | . | . | trans | -84.5 | 65.6 | -179.5 | -64.1 | 171.9 | 0 | 0 | 0 | 111 | I212 Q215 E219 L220 | I212-L217 HydrophobicContact CG2-CB 4.15Å; I212-L217 WeakPolarHBondContact CG2-O 3.33Å; I212-L217 PolarHBondContact O-N 3.46Å; Q215-L217 VanDerWaalsContact C-N 3.26Å; Q215-L217 HydrophobicContact CB-CD1 3.91Å; Q215-L217 HydrophobicContact CB-CG 3.84Å; Q215-L217 PolarHBondContact O-N 3.37Å; L217-E219 PolarHBondContact O-N 3.34Å; L217-E219 VanDerWaalsContact O-N 3.15Å; L217-L220 HydrophobicContact CB-CD1 3.86Å; L217-L220 HydrophobicContact CB-CG 4.15Å; L217-L220 HydrophobicContact CD1-CD1 3.87Å; L217-L220 HydrophobicContact CG-CD1 4.47Å; L217-L220 WeakPolarHBondContact O-CB 3.28Å; L217-L220 PolarHBondContact O-N 2.88Å | ||
| 218 | L | 81.8 | Confident | 89.2 | Confident | 135 Ų | 135 | 57.4 Ų | 57.4 | 71% | 0.707 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | -59.7 | -26.2 | -174 | -63.7 | 175.5 | 0 | 0 | 0 | 114 | K216 L220 T221 | K216-L218 VanDerWaalsContact C-N 3.27Å; K216-L218 PolarHBondContact O-N 3.19Å; L218-L220 PolarHBondContact O-N 2.85Å; L218-T221 WeakPolarHBondContact O-CG2 3.47Å; L218-T221 PolarHBondContact O-N 3.09Å; L218-T221 PolarHBondContact O-OG1 3.43Å |
| 219 | E | 81.4 | Confident | 89.1 | Confident | 89 Ų | 89 | 64.2 Ų | 64.2 | 42% | 0.416 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -67.5 | -18.7 | 176.9 | 69.9 | -161.9 | 169.1 | 0 | 0 | 113.6 | R173 L217 T221 | R173-E219 WeakPolarHBondContact CD-OE1 3.38Å; R173-E219 IonicContact CZ-OE1 2.79Å; R173-E219 IonicContact CZ-OE2 2.6Å; R173-E219 IonicContact NE-OE1 3.7Å; R173-E219 IonicContact NH1-OE1 2.74Å; R173-E219 PolarHBondContact NH1-OE1 3.42Å; R173-E219 IonicContact NH1-OE2 3.85Å; R173-E219 PolarHBondContact NH1-OE2 3.07Å; L217-E219 PolarHBondContact O-N 3.34Å; L217-E219 VanDerWaalsContact O-N 3.15Å; E219-T221 VanDerWaalsContact C-N 3.33Å |
| 220 | L | 84.1 | Confident | 88.9 | Confident | 2 Ų | 2 | 67 Ų | 67 | 1% | 0.01 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -87.7 | -3.2 | 179.6 | -60.9 | -176.7 | 0 | 0 | 0 | 113.1 | I165 L169 I212 L217 L218 E222 A223 L224 | I165-L220 HydrophobicContact CG2-CD1 3.53Å; I165-L220 HydrophobicContact CG2-CD2 3.86Å; I165-L220 HydrophobicContact CG2-CG 4.19Å; L169-L220 HydrophobicContact CD1-CD1 4.22Å; L169-L220 HydrophobicContact CD2-CD1 3.94Å; L169-L220 HydrophobicContact CD2-CD2 3.76Å; L169-L220 HydrophobicContact CD2-CG 4.1Å; L169-L220 HydrophobicContact CG-CD1 4.23Å; L169-L220 HydrophobicContact CG-CD2 3.93Å; I212-L220 HydrophobicContact CD1-CB 4.06Å; I212-L220 HydrophobicContact CD1-CD1 4.16Å; I212-L220 HydrophobicContact CG1-CB 4.43Å; I212-L220 HydrophobicContact CG1-CD1 4.01Å; I212-L220 HydrophobicContact CG2-CB 4.02Å; L217-L220 HydrophobicContact CB-CD1 3.86Å; L217-L220 HydrophobicContact CB-CG 4.15Å; L217-L220 HydrophobicContact CD1-CD1 3.87Å; L217-L220 HydrophobicContact CG-CD1 4.47Å; L217-L220 WeakPolarHBondContact O-CB 3.28Å; L217-L220 PolarHBondContact O-N 2.88Å; L218-L220 PolarHBondContact O-N 2.85Å; L220-E222 VanDerWaalsContact C-N 3.29Å; L220-E222 PolarHBondContact O-N 3.48Å; L220-A223 PolarHBondContact O-N 2.86Å; L220-L224 WeakPolarHBondContact O-CB 3.24Å; L220-L224 PolarHBondContact O-N 3.38Å |
| 221 | T | 84.7 | Confident | 88.8 | Confident | 60 Ų | 60 | 66.8 Ų | 66.8 | 37% | 0.368 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.7 | -39.5 | 179.7 | 55.1 | 0 | 0 | 0 | 0 | 111.2 | L218 E219 L224 E225 | L218-T221 WeakPolarHBondContact O-CG2 3.47Å; L218-T221 PolarHBondContact O-N 3.09Å; L218-T221 PolarHBondContact O-OG1 3.43Å; E219-T221 VanDerWaalsContact C-N 3.33Å; T221-L224 PolarHBondContact O-N 3.08Å; T221-E225 WeakPolarHBondContact O-CB 3.21Å; T221-E225 VanDerWaalsContact O-CG 3.31Å; T221-E225 WeakPolarHBondContact O-CG 3.23Å; T221-E225 PolarHBondContact O-N 2.63Å |
| 222 | E | 86.6 | Confident | 88.9 | Confident | 153 Ų | 153 | 75.9 Ų | 75.9 | 72% | 0.715 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -64.9 | -42.4 | 177.3 | -64.3 | -177.5 | -177.2 | 0 | 0 | 111.7 | L220 L224 E225 F226 | L220-E222 VanDerWaalsContact C-N 3.29Å; L220-E222 PolarHBondContact O-N 3.48Å; E222-L224 VanDerWaalsContact C-N 3.35Å; E222-E225 PolarHBondContact O-N 3.06Å; E222-F226 WeakPolarHBondContact O-CB 3.32Å; E222-F226 PolarHBondContact O-N 3.28Å |
| 223 | A | 88 | Confident | 89 | Confident | 18 Ų | 18 | 76.3 Ų | 76.3 | 15% | 0.149 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -64.4 | -40.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | I165 L220 F226 L227 | I165-A223 HydrophobicContact CG1-CB 4.45Å; L220-A223 PolarHBondContact O-N 2.86Å; A223-F226 WeakPolarHBondContact O-CB 3.39Å; A223-F226 PolarHBondContact O-N 2.97Å; A223-L227 WeakPolarHBondContact O-CG 3.44Å; A223-L227 PolarHBondContact O-N 2.77Å |
| 224 | L | 89.9 | Confident | 89.2 | Confident | 20 Ų | 20 | 75.4 Ų | 75.4 | 11% | 0.105 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -64.7 | -43.9 | 176.2 | -172.7 | 76.4 | 0 | 0 | 0 | 111.7 | L205 M208 A209 I212 L220 T221 E222 F226 L227 Q228 | L205-L224 HydrophobicContact CD1-CD1 3.48Å; L205-L224 VanDerWaalsContact CD1-CD1 3.48Å; L205-L224 HydrophobicContact CD1-CG 4.44Å; L205-L224 HydrophobicContact CG-CD1 4.14Å; M208-L224 HydrophobicContact CG-CD1 4.45Å; A209-L224 HydrophobicContact CB-CD1 4.21Å; A209-L224 HydrophobicContact CB-CD2 3.64Å; I212-L224 HydrophobicContact CD1-CD1 4.2Å; L220-L224 WeakPolarHBondContact O-CB 3.24Å; L220-L224 PolarHBondContact O-N 3.38Å; T221-L224 PolarHBondContact O-N 3.08Å; E222-L224 VanDerWaalsContact C-N 3.35Å; L224-F226 VanDerWaalsContact C-N 3.34Å; L224-L227 PolarHBondContact O-N 3.05Å; L224-Q228 WeakPolarHBondContact O-CB 3.5Å; L224-Q228 PolarHBondContact O-N 3.36Å |
| 225 | E | 91 | Very high | 89.3 | Confident | 118 Ų | 118 | 73.3 Ų | 73.3 | 55% | 0.551 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -61.9 | -42.1 | 175.1 | -76.4 | 176.1 | -173.9 | 0 | 0 | 111.3 | T221 E222 Q228 M229 | T221-E225 WeakPolarHBondContact O-CB 3.21Å; T221-E225 VanDerWaalsContact O-CG 3.31Å; T221-E225 WeakPolarHBondContact O-CG 3.23Å; T221-E225 PolarHBondContact O-N 2.63Å; E222-E225 PolarHBondContact O-N 3.06Å; E225-Q228 WeakPolarHBondContact O-CB 3.34Å; E225-Q228 PolarHBondContact O-N 3.12Å; E225-M229 WeakPolarHBondContact O-CB 3.47Å; E225-M229 VanDerWaalsContact O-CG 3.29Å; E225-M229 WeakPolarHBondContact O-CG 3.25Å; E225-M229 PolarHBondContact O-N 3.35Å |
| 226 | F | 91.1 | Very high | 89.6 | Confident | 108 Ų | 108 | 80.5 Ų | 80.5 | 47% | 0.474 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -58.6 | -48.9 | 173.2 | 172.3 | -96.8 | 0 | 0 | 0 | 111.7 | L14 E222 A223 L224 Q228 M229 H230 | L14-F226 HydrophobicContact CD1-CE1 4.32Å; L14-F226 HydrophobicContact CD1-CZ 4.18Å; L14-F226 HydrophobicContact CD2-CE1 3.88Å; L14-F226 HydrophobicContact CD2-CZ 4.29Å; E222-F226 WeakPolarHBondContact O-CB 3.32Å; E222-F226 PolarHBondContact O-N 3.28Å; A223-F226 WeakPolarHBondContact O-CB 3.39Å; A223-F226 PolarHBondContact O-N 2.97Å; L224-F226 VanDerWaalsContact C-N 3.34Å; F226-Q228 VanDerWaalsContact C-N 3.31Å; F226-Q228 PolarHBondContact O-N 2.92Å; F226-M229 PolarHBondContact O-N 3.1Å; F226-H230 WeakPolarHBondContact O-CB 3.46Å; F226-H230 PolarHBondContact O-N 2.76Å |
| 227 | L | 92.3 | Very high | 89.9 | Confident | 4 Ų | 4 | 76.1 Ų | 76.1 | 2% | 0.021 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62.9 | -37.4 | 177.3 | -69.9 | 177 | 0 | 0 | 0 | 112.4 | L17 Y161 L164 I165 L205 A223 L224 S231 | L17-L227 HydrophobicContact CD2-CD2 4.22Å; Y161-L227 HydrophobicContact CD1-CB 4.41Å; Y161-L227 HydrophobicContact CD1-CD1 3.87Å; Y161-L227 HydrophobicContact CD1-CD2 3.99Å; Y161-L227 HydrophobicContact CD1-CG 4.32Å; Y161-L227 HydrophobicContact CE1-CB 4.47Å; Y161-L227 HydrophobicContact CE1-CD2 4.38Å; Y161-L227 HydrophobicContact CG-CD1 4.25Å; L164-L227 HydrophobicContact CB-CD2 4.25Å; L164-L227 HydrophobicContact CD1-CD2 3.62Å; I165-L227 HydrophobicContact CD1-CD1 4Å; I165-L227 HydrophobicContact CG1-CD1 3.79Å; L205-L227 HydrophobicContact CD1-CB 4.14Å; A223-L227 WeakPolarHBondContact O-CG 3.44Å; A223-L227 PolarHBondContact O-N 2.77Å; L224-L227 PolarHBondContact O-N 3.05Å; L227-S231 WeakPolarHBondContact O-CB 3.39Å; L227-S231 PolarHBondContact O-N 3.19Å; L227-S231 PolarHBondContact O-OG 3.42Å |
| 228 | Q | 94.3 | Very high | 90.4 | Very high | 24 Ų | 24 | 76.4 Ų | 76.4 | 11% | 0.112 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -61.6 | -47.9 | 175.1 | -171.7 | -169.3 | -31.5 | 0 | 0 | 111 | L205 L224 E225 F226 S231 K232 I233 S235 L238 | L205-Q228 HydrophobicContact CD2-CB 3.87Å; L205-Q228 HydrophobicContact CD2-CG 4.12Å; L224-Q228 WeakPolarHBondContact O-CB 3.5Å; L224-Q228 PolarHBondContact O-N 3.36Å; E225-Q228 WeakPolarHBondContact O-CB 3.34Å; E225-Q228 PolarHBondContact O-N 3.12Å; F226-Q228 VanDerWaalsContact C-N 3.31Å; F226-Q228 PolarHBondContact O-N 2.92Å; Q228-S231 PolarHBondContact O-N 3.35Å; Q228-K232 PolarHBondContact O-N 3.29Å; Q228-K232 VanDerWaalsContact O-N 3.1Å; Q228-I233 HydrophobicContact CG-CB 3.99Å; Q228-I233 HydrophobicContact CG-CG2 4.37Å; Q228-I233 WeakPolarHBondContact CG-O 3.34Å; Q228-I233 PolarHBondContact NE2-O 2.88Å; Q228-I233 PolarHBondContact O-N 3.24Å; Q228-S235 VanDerWaalsContact NE2-CA 3.33Å; Q228-S235 PolarHBondContact NE2-OG 2.97Å; Q228-L238 HydrophobicContact CG-CD2 4.1Å |
| 229 | M | 92.7 | Very high | 91 | Very high | 143 Ų | 143 | 73.1 Ų | 73.1 | 70% | 0.704 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -65.3 | -45.5 | 179 | -71.8 | -60 | -66 | 0 | 0 | 111.5 | E225 F226 S231 K232 | E225-M229 WeakPolarHBondContact O-CB 3.47Å; E225-M229 VanDerWaalsContact O-CG 3.29Å; E225-M229 WeakPolarHBondContact O-CG 3.25Å; E225-M229 PolarHBondContact O-N 3.35Å; F226-M229 PolarHBondContact O-N 3.1Å; M229-S231 VanDerWaalsContact C-N 3.31Å; M229-S231 PolarHBondContact O-N 2.92Å; M229-K232 PolarHBondContact O-N 3.41Å |
| 230 | H | 91.9 | Very high | 91.8 | Very high | 59 Ų | 59 | 73.8 Ų | 73.8 | 27% | 0.273 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60.7 | -41 | 176.8 | -168.9 | 85 | 0 | 0 | 0 | 111.8 | T18 F226 K232 | T18-H230 PolarHBondContact OG1-NE2 2.97Å; T18-H230 VanDerWaalsContact OG1-NE2 3.09Å; F226-H230 WeakPolarHBondContact O-CB 3.46Å; F226-H230 PolarHBondContact O-N 2.76Å; H230-K232 PolarHBondContact O-N 2.91Å |
| 231 | S | 91.9 | Very high | 92.4 | Very high | 11 Ų | 11 | 75.2 Ų | 75.2 | 8% | 0.077 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -2.8 | 177.9 | -53 | 0 | 0 | 0 | 0 | 113.7 | Y161 L227 Q228 M229 I233 | Y161-S231 PolarHBondContact OH-OG 3.06Å; L227-S231 WeakPolarHBondContact O-CB 3.39Å; L227-S231 PolarHBondContact O-N 3.19Å; L227-S231 PolarHBondContact O-OG 3.42Å; Q228-S231 PolarHBondContact O-N 3.35Å; M229-S231 VanDerWaalsContact C-N 3.31Å; M229-S231 PolarHBondContact O-N 2.92Å; S231-I233 VanDerWaalsContact C-N 3.25Å; S231-I233 PolarHBondContact O-N 3.15Å |
| 232 | K | 93.3 | Very high | 92.9 | Very high | 190 Ų | 190 | 74.1 Ų | 74.1 | 83% | 0.826 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 40.4 | -178.1 | -56.4 | 176.8 | -177.5 | 173.8 | 0 | 112.5 | Q228 M229 H230 | Q228-K232 PolarHBondContact O-N 3.29Å; Q228-K232 VanDerWaalsContact O-N 3.1Å; M229-K232 PolarHBondContact O-N 3.41Å; H230-K232 PolarHBondContact O-N 2.91Å |
| 233 | I | 93.7 | Very high | 93.4 | Very high | 13 Ų | 13 | 72.5 Ų | 72.5 | 7% | 0.067 | 35% | 0.347 | C | S | . | . | trans | -91.4 | 124.8 | -179.5 | -63.3 | 169.6 | 0 | 0 | 0 | 109.4 | V202 L205 Q228 S231 L238 | V202-I233 HydrophobicContact CG1-CG2 4.49Å; V202-I233 HydrophobicContact CG2-CB 4.49Å; V202-I233 HydrophobicContact CG2-CD1 3.88Å; V202-I233 HydrophobicContact CG2-CG1 3.81Å; V202-I233 HydrophobicContact CG2-CG2 3.92Å; L205-I233 HydrophobicContact CB-CD1 4.28Å; L205-I233 HydrophobicContact CD2-CD1 3.63Å; Q228-I233 HydrophobicContact CG-CB 3.99Å; Q228-I233 HydrophobicContact CG-CG2 4.37Å; Q228-I233 WeakPolarHBondContact CG-O 3.34Å; Q228-I233 PolarHBondContact NE2-O 2.88Å; Q228-I233 PolarHBondContact O-N 3.24Å; S231-I233 VanDerWaalsContact C-N 3.25Å; S231-I233 PolarHBondContact O-N 3.15Å; I233-L238 HydrophobicContact CG2-CB 3.99Å | ||
| 234 | N | 93.9 | Very high | 93.8 | Very high | 84 Ų | 84 | 73.4 Ų | 73.4 | 45% | 0.449 | 35% | 0.349 | S | S | . | . | trans | -67.7 | 134 | 176 | -176 | -21 | 0 | 0 | 0 | 110.3 | R236 D237 L238 | N234-R236 PolarHBondContact O-N 3.11Å; N234-R236 PolarHBondContact OD1-N 3.22Å; N234-D237 HydrophobicContact CB-CB 4.22Å; N234-D237 WeakPolarHBondContact O-CB 3.45Å; N234-D237 PolarHBondContact O-N 3.02Å; N234-L238 PolarHBondContact O-N 3.39Å | ||
| 235 | S | 93.5 | Very high | 94.1 | Very high | 70 Ų | 70 | 72.5 Ų | 72.5 | 49% | 0.49 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -55.8 | -38 | 178.4 | -49.6 | 0 | 0 | 0 | 0 | 112.6 | Q228 D237 L238 T239 | Q228-S235 VanDerWaalsContact NE2-CA 3.33Å; Q228-S235 PolarHBondContact NE2-OG 2.97Å; S235-D237 PolarHBondContact O-N 3.03Å; S235-L238 PolarHBondContact O-N 3.1Å; S235-T239 PolarHBondContact O-N 3.08Å; S235-T239 PolarHBondContact O-OG1 3.43Å |
| 236 | R | 93.8 | Very high | 94.3 | Very high | 207 Ų | 207 | 71.1 Ų | 71.1 | 78% | 0.781 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -64 | -41.3 | 177.2 | -65.4 | -176.7 | -177.8 | 172.3 | 1.2 | 112.1 | N234 F240 | N234-R236 PolarHBondContact O-N 3.11Å; N234-R236 PolarHBondContact OD1-N 3.22Å; R236-F240 WeakPolarHBondContact O-CB 3.27Å; R236-F240 PolarHBondContact O-N 3.4Å |
| 237 | D | 93.5 | Very high | 94.5 | Very high | 83 Ų | 83 | 72 Ų | 72 | 44% | 0.444 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -67.4 | -43.4 | 178 | -67.8 | -21.9 | 0 | 0 | 0 | 110.2 | N234 S235 F240 W241 | N234-D237 HydrophobicContact CB-CB 4.22Å; N234-D237 WeakPolarHBondContact O-CB 3.45Å; N234-D237 PolarHBondContact O-N 3.02Å; S235-D237 PolarHBondContact O-N 3.03Å; D237-F240 PolarHBondContact O-N 3.35Å; D237-W241 PolarHBondContact O-N 2.94Å |
| 238 | L | 95.1 | Very high | 94.6 | Very high | 13 Ų | 13 | 72 Ų | 72 | 7% | 0.068 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60.1 | -49.7 | 177.6 | -176.2 | 63.3 | 0 | 0 | 0 | 111.1 | L205 Q228 I233 N234 S235 F240 W241 K242 | L205-L238 HydrophobicContact CB-CD1 4.16Å; L205-L238 HydrophobicContact CD2-CD1 4.05Å; L205-L238 HydrophobicContact CD2-CD2 4.16Å; L205-L238 HydrophobicContact CG-CD1 4.06Å; Q228-L238 HydrophobicContact CG-CD2 4.1Å; I233-L238 HydrophobicContact CG2-CB 3.99Å; N234-L238 PolarHBondContact O-N 3.39Å; S235-L238 PolarHBondContact O-N 3.1Å; L238-F240 VanDerWaalsContact C-N 3.35Å; L238-F240 PolarHBondContact O-N 2.98Å; L238-W241 PolarHBondContact O-N 3.47Å; L238-K242 WeakPolarHBondContact O-CB 3.39Å; L238-K242 PolarHBondContact O-N 2.93Å |
| 239 | T | 95.2 | Very high | 94.4 | Very high | 66 Ų | 66 | 72 Ų | 72 | 41% | 0.405 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -58.9 | -46.3 | 177.9 | -54.7 | 0 | 0 | 0 | 0 | 111.4 | S235 W241 K242 E243 | S235-T239 PolarHBondContact O-N 3.08Å; S235-T239 PolarHBondContact O-OG1 3.43Å; T239-W241 PolarHBondContact O-N 2.99Å; T239-K242 WeakPolarHBondContact O-CB 3.41Å; T239-K242 PolarHBondContact O-N 3.39Å; T239-E243 WeakPolarHBondContact O-CG 3.25Å; T239-E243 PolarHBondContact O-N 3.5Å |
| 240 | F | 96.5 | Very high | 94.3 | Very high | 104 Ų | 104 | 69 Ų | 69 | 46% | 0.456 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -58.2 | -51.2 | 178.4 | 172.3 | -100.2 | 0 | 0 | 0 | 112.2 | R236 D237 L238 K242 E243 L244 | R236-F240 WeakPolarHBondContact O-CB 3.27Å; R236-F240 PolarHBondContact O-N 3.4Å; D237-F240 PolarHBondContact O-N 3.35Å; L238-F240 VanDerWaalsContact C-N 3.35Å; L238-F240 PolarHBondContact O-N 2.98Å; F240-K242 VanDerWaalsContact C-N 3.33Å; F240-K242 PolarHBondContact O-N 3.47Å; F240-E243 PolarHBondContact O-N 3.11Å; F240-L244 HydrophobicContact CD1-CD1 4.15Å; F240-L244 HydrophobicContact CE1-CD1 3.49Å; F240-L244 VanDerWaalsContact CE1-CD1 3.49Å; F240-L244 HydrophobicContact CE1-CG 4.48Å; F240-L244 HydrophobicContact CE2-CD1 4.19Å; F240-L244 HydrophobicContact CZ-CD1 3.53Å; F240-L244 HydrophobicContact CZ-CG 4.36Å; F240-L244 WeakPolarHBondContact O-CG 3.4Å; F240-L244 PolarHBondContact O-N 3.3Å |
| 241 | W | 96.9 | Very high | 94.1 | Very high | 31 Ų | 31 | 69.7 Ų | 69.7 | 12% | 0.117 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -68.1 | -35 | 179.6 | -75.1 | 109.9 | 0 | 0 | 0 | 112.2 | M194 F195 K197 A198 V202 S206 D237 L238 T239 L244 V245 | M194-W241 WeakPolarHBondContact O-CH2 3.46Å; F195-W241 HydrophobicContact CD1-CE3 4.08Å; F195-W241 HydrophobicContact CD1-CZ3 4.07Å; F195-W241 HydrophobicContact CE1-CE3 4.35Å; K197-W241 HydrophobicContact CB-CH2 4.06Å; K197-W241 HydrophobicContact CB-CZ2 4.46Å; A198-W241 HydrophobicContact CB-CD2 3.74Å; A198-W241 HydrophobicContact CB-CE3 3.78Å; A198-W241 HydrophobicContact CB-CG 4.47Å; A198-W241 HydrophobicContact CB-CH2 3.78Å; A198-W241 HydrophobicContact CB-CZ2 3.73Å; A198-W241 HydrophobicContact CB-CZ3 3.8Å; V202-W241 HydrophobicContact CG1-CB 4.02Å; V202-W241 VanDerWaalsContact CG1-CD1 3.45Å; V202-W241 HydrophobicContact CG1-CG 3.89Å; S206-W241 WeakPolarHBondContact OG-CB 3.49Å; D237-W241 PolarHBondContact O-N 2.94Å; L238-W241 PolarHBondContact O-N 3.47Å; T239-W241 PolarHBondContact O-N 2.99Å; W241-L244 HydrophobicContact CE3-CD1 3.8Å; W241-L244 HydrophobicContact CZ3-CD1 3.84Å; W241-L244 PolarHBondContact O-N 3.02Å; W241-V245 WeakPolarHBondContact O-CG2 3.47Å; W241-V245 PolarHBondContact O-N 3.13Å |
| 242 | K | 96.6 | Very high | 93.4 | Very high | 38 Ų | 38 | 71.4 Ų | 71.4 | 17% | 0.165 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59 | -47.4 | 174.3 | -163.8 | -175.9 | 62.8 | 157.5 | 0 | 111.5 | S206 A209 L210 E213 L238 T239 F240 L244 V245 L246 | S206-K242 PolarHBondContact OG-N 3.02Å; A209-K242 HydrophobicContact CB-CD 4.04Å; L210-K242 HydrophobicContact CD1-CG 4.06Å; L210-K242 HydrophobicContact CD2-CD 3.99Å; L210-K242 HydrophobicContact CD2-CG 3.58Å; L210-K242 HydrophobicContact CG-CD 4.11Å; L210-K242 HydrophobicContact CG-CG 3.47Å; L210-K242 VanDerWaalsContact CG-CG 3.47Å; E213-K242 IonicContact OE1-NZ 2.7Å; E213-K242 PolarHBondContact OE1-NZ 3.11Å; E213-K242 IonicContact OE2-NZ 3.49Å; E213-K242 PolarHBondContact OE2-NZ 3.06Å; L238-K242 WeakPolarHBondContact O-CB 3.39Å; L238-K242 PolarHBondContact O-N 2.93Å; T239-K242 WeakPolarHBondContact O-CB 3.41Å; T239-K242 PolarHBondContact O-N 3.39Å; F240-K242 VanDerWaalsContact C-N 3.33Å; F240-K242 PolarHBondContact O-N 3.47Å; K242-L244 VanDerWaalsContact C-N 3.32Å; K242-L244 PolarHBondContact O-N 2.91Å; K242-V245 PolarHBondContact O-N 3.11Å; K242-L246 PolarHBondContact O-N 3.33Å |
| 243 | E | 96.6 | Very high | 92.5 | Very high | 118 Ų | 118 | 66.7 Ų | 66.7 | 55% | 0.551 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -60.8 | -40.2 | 176.1 | -73.4 | 175.3 | -174.7 | 0 | 0 | 112.4 | T239 F240 L246 K247 | T239-E243 WeakPolarHBondContact O-CG 3.25Å; T239-E243 PolarHBondContact O-N 3.5Å; F240-E243 PolarHBondContact O-N 3.11Å; E243-L246 PolarHBondContact O-N 3.05Å; E243-K247 WeakPolarHBondContact O-CB 3.24Å; E243-K247 PolarHBondContact O-N 2.97Å |
| 244 | L | 96.4 | Very high | 91.4 | Very high | 38 Ų | 38 | 68 Ų | 68 | 20% | 0.199 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -66.7 | -40.6 | 176.6 | -66.4 | -177.9 | 0 | 0 | 0 | 112.5 | M194 F195 F240 W241 K242 K247 C248 | M194-L244 HydrophobicContact CE-CB 3.87Å; M194-L244 HydrophobicContact CE-CD1 3.68Å; M194-L244 HydrophobicContact CE-CD2 3.78Å; M194-L244 HydrophobicContact CE-CG 3.97Å; F195-L244 HydrophobicContact CE1-CB 4.14Å; F195-L244 HydrophobicContact CZ-CB 4.39Å; F240-L244 HydrophobicContact CD1-CD1 4.15Å; F240-L244 HydrophobicContact CE1-CD1 3.49Å; F240-L244 VanDerWaalsContact CE1-CD1 3.49Å; F240-L244 HydrophobicContact CE1-CG 4.48Å; F240-L244 HydrophobicContact CE2-CD1 4.19Å; F240-L244 HydrophobicContact CZ-CD1 3.53Å; F240-L244 HydrophobicContact CZ-CG 4.36Å; F240-L244 WeakPolarHBondContact O-CG 3.4Å; F240-L244 PolarHBondContact O-N 3.3Å; W241-L244 HydrophobicContact CE3-CD1 3.8Å; W241-L244 HydrophobicContact CZ3-CD1 3.84Å; W241-L244 PolarHBondContact O-N 3.02Å; K242-L244 VanDerWaalsContact C-N 3.32Å; K242-L244 PolarHBondContact O-N 2.91Å; L244-K247 PolarHBondContact O-N 3.04Å; L244-C248 WeakPolarHBondContact O-CB 3.43Å; L244-C248 PolarHBondContact O-N 3.3Å |
| 245 | V | 96.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.2 | -48.8 | 174 | 173.2 | 0 | 0 | 0 | 0 | 109.6 | F195 L203 I207 L210 W241 K242 K247 C248 L249 | F195-V245 HydrophobicContact CD1-CG2 4.31Å; F195-V245 HydrophobicContact CE1-CB 4.41Å; F195-V245 HydrophobicContact CE1-CG2 3.56Å; F195-V245 HydrophobicContact CZ-CG2 4.18Å; L203-V245 HydrophobicContact CD1-CG2 3.83Å; I207-V245 HydrophobicContact CG1-CG1 3.95Å; I207-V245 HydrophobicContact CG1-CG2 4.37Å; L210-V245 HydrophobicContact CD1-CB 3.63Å; L210-V245 HydrophobicContact CD1-CG1 3.36Å; W241-V245 WeakPolarHBondContact O-CG2 3.47Å; W241-V245 PolarHBondContact O-N 3.13Å; K242-V245 PolarHBondContact O-N 3.11Å; V245-K247 VanDerWaalsContact C-N 3.31Å; V245-K247 PolarHBondContact O-N 3.33Å; V245-C248 WeakPolarHBondContact O-CB 3.33Å; V245-C248 PolarHBondContact O-N 3.19Å; V245-L249 HydrophobicContact CG1-CD1 3.73Å; V245-L249 HydrophobicContact CG1-CG 4.05Å; V245-L249 VanDerWaalsContact O-CG 3.32Å; V245-L249 WeakPolarHBondContact O-CG 3.06Å; V245-L249 PolarHBondContact O-N 3.38Å |
| 246 | L | 95.4 | Very high | 87.4 | Confident | 90 Ų | 90 | 76 Ų | 76 | 47% | 0.471 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -55.6 | -46.2 | 177.3 | 178.9 | 62.1 | 0 | 0 | 0 | 111.8 | L210 K242 E243 C248 L249 T250 | L210-L246 HydrophobicContact CD1-CB 4.21Å; L210-L246 HydrophobicContact CD2-CB 4.09Å; L210-L246 HydrophobicContact CD2-CD1 4.44Å; K242-L246 PolarHBondContact O-N 3.33Å; E243-L246 PolarHBondContact O-N 3.05Å; L246-C248 VanDerWaalsContact C-N 3.35Å; L246-C248 PolarHBondContact O-N 3.47Å; L246-L249 PolarHBondContact O-N 3.05Å; L246-T250 HydrophobicContact CD1-CG2 4.25Å; L246-T250 WeakPolarHBondContact O-CB 3.43Å; L246-T250 VanDerWaalsContact O-CG2 3.29Å; L246-T250 WeakPolarHBondContact O-CG2 3.46Å; L246-T250 PolarHBondContact O-N 3.01Å; L246-T250 PolarHBondContact O-OG1 3.37Å |
| 247 | K | 94.4 | Very high | 85.1 | Confident | 125 Ų | 125 | 67.1 Ų | 67.1 | 54% | 0.543 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.5 | -42.8 | 174.8 | -173.6 | -179.5 | 177.3 | -178.6 | 0 | 112.2 | E243 L244 V245 T250 E251 | E243-K247 WeakPolarHBondContact O-CB 3.24Å; E243-K247 PolarHBondContact O-N 2.97Å; L244-K247 PolarHBondContact O-N 3.04Å; V245-K247 VanDerWaalsContact C-N 3.31Å; V245-K247 PolarHBondContact O-N 3.33Å; K247-T250 WeakPolarHBondContact CA-OG1 3.45Å; K247-T250 PolarHBondContact O-OG1 2.68Å; K247-E251 VanDerWaalsContact CE-OE1 3.25Å; K247-E251 WeakPolarHBondContact CE-OE1 3.43Å; K247-E251 WeakPolarHBondContact O-CB 3.31Å; K247-E251 WeakPolarHBondContact O-CG 3.24Å; K247-E251 PolarHBondContact O-N 2.99Å |
| 248 | C | 93.4 | Very high | 83 | Confident | 6 Ų | 6 | 67.8 Ų | 67.8 | 4% | 0.041 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -64.1 | -43.8 | 177.9 | -177.2 | 0 | 0 | 0 | 0 | 111.9 | F195 L244 V245 L246 E251 Y252 | F195-C248 HydrophobicContact CE2-CB 3.69Å; F195-C248 HydrophobicContact CZ-CB 3.66Å; L244-C248 WeakPolarHBondContact O-CB 3.43Å; L244-C248 PolarHBondContact O-N 3.3Å; V245-C248 WeakPolarHBondContact O-CB 3.33Å; V245-C248 PolarHBondContact O-N 3.19Å; L246-C248 VanDerWaalsContact C-N 3.35Å; L246-C248 PolarHBondContact O-N 3.47Å; C248-E251 PolarHBondContact O-N 2.66Å; C248-Y252 VanDerWaalsContact O-CB 3.24Å; C248-Y252 WeakPolarHBondContact O-CB 3.28Å; C248-Y252 PolarHBondContact O-N 3.01Å |
| 249 | L | 91.7 | Very high | 81 | Confident | 24 Ų | 24 | 73.3 Ų | 73.3 | 13% | 0.126 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -68.9 | -38.6 | -178.5 | -65 | 178.5 | 0 | 0 | 0 | 112.1 | Q185 A188 V245 L246 Y252 S253 | Q185-L249 HydrophobicContact CB-CD1 4.17Å; Q185-L249 HydrophobicContact CB-CD2 3.88Å; Q185-L249 HydrophobicContact CG-CD1 3.77Å; Q185-L249 HydrophobicContact CG-CD2 3.86Å; Q185-L249 HydrophobicContact CG-CG 4.48Å; A188-L249 HydrophobicContact CB-CD2 4.08Å; V245-L249 HydrophobicContact CG1-CD1 3.73Å; V245-L249 HydrophobicContact CG1-CG 4.05Å; V245-L249 VanDerWaalsContact O-CG 3.32Å; V245-L249 WeakPolarHBondContact O-CG 3.06Å; V245-L249 PolarHBondContact O-N 3.38Å; L246-L249 PolarHBondContact O-N 3.05Å; L249-Y252 PolarHBondContact O-N 3.22Å; L249-S253 WeakPolarHBondContact O-CB 3.39Å; L249-S253 PolarHBondContact O-N 3.05Å; L249-S253 PolarHBondContact O-OG 3.44Å |
| 250 | T | 90.2 | Very high | 78.8 | Confident | 80 Ų | 80 | 71.1 Ų | 71.1 | 49% | 0.491 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64.6 | -43.3 | 174.1 | 50.3 | 0 | 0 | 0 | 0 | 111.4 | L246 K247 S253 S254 | L246-T250 HydrophobicContact CD1-CG2 4.25Å; L246-T250 WeakPolarHBondContact O-CB 3.43Å; L246-T250 VanDerWaalsContact O-CG2 3.29Å; L246-T250 WeakPolarHBondContact O-CG2 3.46Å; L246-T250 PolarHBondContact O-N 3.01Å; L246-T250 PolarHBondContact O-OG1 3.37Å; K247-T250 WeakPolarHBondContact CA-OG1 3.45Å; K247-T250 PolarHBondContact O-OG1 2.68Å; T250-S253 PolarHBondContact O-N 3.06Å; T250-S254 PolarHBondContact O-N 2.86Å; T250-S254 VanDerWaalsContact O-N 3.09Å |
| 251 | E | 86.6 | Confident | 76.2 | Confident | 72 Ų | 72 | 71.1 Ų | 71.1 | 34% | 0.336 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62.8 | -42.1 | 173 | -74.5 | 178.2 | -166.7 | 0 | 0 | 112.3 | R192 K247 C248 S253 S254 | R192-E251 IonicContact CZ-OE2 2.86Å; R192-E251 IonicContact NH2-OE2 2.67Å; R192-E251 PolarHBondContact NH2-OE2 2.85Å; K247-E251 VanDerWaalsContact CE-OE1 3.25Å; K247-E251 WeakPolarHBondContact CE-OE1 3.43Å; K247-E251 WeakPolarHBondContact O-CB 3.31Å; K247-E251 WeakPolarHBondContact O-CG 3.24Å; K247-E251 PolarHBondContact O-N 2.99Å; C248-E251 PolarHBondContact O-N 2.66Å; E251-S253 VanDerWaalsContact C-N 3.32Å; E251-S253 PolarHBondContact O-N 2.73Å; E251-S254 WeakPolarHBondContact O-CB 3.4Å; E251-S254 PolarHBondContact O-N 3.01Å; E251-S254 PolarHBondContact O-OG 3.12Å |
| 252 | Y | 78.1 | Confident | 73.7 | Confident | 47 Ų | 47 | 75.7 Ų | 75.7 | 18% | 0.184 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -66.9 | -33.5 | -179.6 | -167.9 | -96.3 | 0 | 0 | 0 | 112.6 | A188 C248 L249 S254 | A188-Y252 HydrophobicContact CB-CD1 3.93Å; A188-Y252 HydrophobicContact CB-CD2 3.89Å; A188-Y252 HydrophobicContact CB-CE1 4.12Å; A188-Y252 HydrophobicContact CB-CE2 4.09Å; A188-Y252 HydrophobicContact CB-CG 3.82Å; C248-Y252 VanDerWaalsContact O-CB 3.24Å; C248-Y252 WeakPolarHBondContact O-CB 3.28Å; C248-Y252 PolarHBondContact O-N 3.01Å; L249-Y252 PolarHBondContact O-N 3.22Å; Y252-S254 VanDerWaalsContact C-N 3.33Å |
| 253 | S | 73.4 | Confident | 71.1 | Confident | 92 Ų | 92 | 81 Ų | 81 | 64% | 0.643 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -76.2 | -23.2 | 175.4 | -55.7 | 0 | 0 | 0 | 0 | 112.3 | L249 T250 E251 | L249-S253 WeakPolarHBondContact O-CB 3.39Å; L249-S253 PolarHBondContact O-N 3.05Å; L249-S253 PolarHBondContact O-OG 3.44Å; T250-S253 PolarHBondContact O-N 3.06Å; E251-S253 VanDerWaalsContact C-N 3.32Å; E251-S253 PolarHBondContact O-N 2.73Å |
| 254 | S | 72.1 | Confident | 68.5 | Low | 40 Ų | 40 | 83.9 Ų | 83.9 | 28% | 0.28 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -71.5 | 153 | 177.5 | 84.9 | 0 | 0 | 0 | 0 | 112.6 | T250 E251 Y252 K256 C257 | T250-S254 PolarHBondContact O-N 2.86Å; T250-S254 VanDerWaalsContact O-N 3.09Å; E251-S254 WeakPolarHBondContact O-CB 3.4Å; E251-S254 PolarHBondContact O-N 3.01Å; E251-S254 PolarHBondContact O-OG 3.12Å; Y252-S254 VanDerWaalsContact C-N 3.33Å; S254-K256 PolarHBondContact O-N 2.83Å; S254-K256 PolarHBondContact OG-N 3.05Å; S254-C257 PolarHBondContact O-N 2.67Å |
| 255 | S | 52.5 | Low | 66.1 | Low | 128 Ų | 128 | 84.7 Ų | 84.7 | 90% | 0.895 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -5 | 174.8 | 51.2 | 0 | 0 | 0 | 0 | 114.5 | ||
| 256 | K | 49.4 | Very low | 63.5 | Low | 193 Ų | 193 | 93.2 Ų | 93.2 | 84% | 0.839 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -15 | 179.2 | -62.7 | -179.2 | 179.6 | 177.6 | 0 | 113.4 | S254 | S254-K256 PolarHBondContact O-N 2.83Å; S254-K256 PolarHBondContact OG-N 3.05Å |
| 257 | C | 45.9 | Very low | 61.2 | Low | 21 Ų | 21 | 96.6 Ų | 96.6 | 14% | 0.142 | 49% | 0.494 | C | S | . | . | S | Bend | trans | -89.9 | 121.5 | 177.6 | -162.5 | 0 | 0 | 0 | 0 | 110 | S254 K259 | S254-C257 PolarHBondContact O-N 2.67Å; C257-K259 VanDerWaalsContact C-N 3.29Å; C257-K259 PolarHBondContact O-N 3.34Å |
| 258 | S | 49.4 | Very low | 59.1 | Low | 98 Ų | 98 | 97.6 Ų | 97.6 | 69% | 0.685 | 50% | 0.504 | S | S | * | . | trans | -64 | 94.6 | 164.2 | -46.2 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 259 | K | 52.6 | Low | 57.1 | Low | 129 Ų | 129 | 99.7 Ų | 99.7 | 56% | 0.561 | 52% | 0.516 | S | S | * | . | trans | -59.6 | 139.8 | 169.1 | -64.2 | -178.7 | -177.7 | -179.6 | 0 | 107.3 | C257 N261 | C257-K259 VanDerWaalsContact C-N 3.29Å; C257-K259 PolarHBondContact O-N 3.34Å; K259-N261 PolarHBondContact O-N 2.6Å | ||
| 260 | P | 49 | Very low | 55.4 | Low | 19 Ų | 19 | 101.4 Ų | 101.4 | 12% | 0.123 | 53% | 0.53 | C | S | . | . | trans | -50.8 | 121.7 | 172.4 | 20.1 | -29.4 | 0 | 0 | 0 | 107.6 | L60 S61 V262 | L60-P260 HydrophobicContact CD2-CG 4.28Å; S61-P260 VanDerWaalsContact OG-CB 3.28Å; S61-P260 WeakPolarHBondContact OG-CB 3.4Å; P260-V262 PolarHBondContact O-N 3.47Å | ||
| 261 | N | 42.8 | Very low | 53.6 | Low | 105 Ų | 105 | 100 Ų | 100 | 56% | 0.561 | 53% | 0.532 | S | S | * | . | trans | -65.3 | 110.9 | -171.5 | -168.6 | -2.1 | 0 | 0 | 0 | 107.2 | K259 Q263 | K259-N261 PolarHBondContact O-N 2.6Å; N261-Q263 PolarHBondContact ND2-OE1 3.03Å; N261-Q263 PolarHBondContact O-N 3.26Å; N261-Q263 WeakPolarHBondContact OD1-CB 3.23Å; N261-Q263 VanDerWaalsContact OD1-CG 3.23Å; N261-Q263 WeakPolarHBondContact OD1-CG 3.23Å; N261-Q263 PolarHBondContact OD1-N 3.29Å | ||
| 262 | V | 44.4 | Very low | 52.3 | Low | 127 Ų | 127 | 106.4 Ų | 106.4 | 77% | 0.77 | 55% | 0.553 | S | S | * | * | trans | -68.3 | 11.6 | 173.5 | -158 | 0 | 0 | 0 | 0 | 111.1 | P260 K264 | P260-V262 PolarHBondContact O-N 3.47Å; V262-K264 PolarHBondContact O-N 3.34Å | ||
| 263 | Q | 41.3 | Very low | 51.3 | Low | 149 Ų | 149 | 107.3 Ų | 107.3 | 70% | 0.696 | 56% | 0.563 | S | S | * | * | trans | -55.9 | 92.5 | 157.1 | -81.4 | 179.9 | 10.4 | 0 | 0 | 107.4 | N261 L265 | N261-Q263 PolarHBondContact ND2-OE1 3.03Å; N261-Q263 PolarHBondContact O-N 3.26Å; N261-Q263 WeakPolarHBondContact OD1-CB 3.23Å; N261-Q263 VanDerWaalsContact OD1-CG 3.23Å; N261-Q263 WeakPolarHBondContact OD1-CG 3.23Å; N261-Q263 PolarHBondContact OD1-N 3.29Å; Q263-L265 PolarHBondContact O-N 3.14Å; Q263-L265 VanDerWaalsContact O-N 3.08Å | ||
| 264 | K | 42.4 | Very low | 50.8 | Low | 179 Ų | 179 | 105.5 Ų | 105.5 | 78% | 0.778 | 55% | 0.554 | S | S | * | * | trans | -23.6 | 117.4 | 162 | -77.5 | 176.9 | 173.5 | 178.1 | 0 | 106.3 | V262 K266 | V262-K264 PolarHBondContact O-N 3.34Å; K264-K266 PolarHBondContact O-N 3.02Å | ||
| 265 | L | 47.1 | Very low | 50.3 | Low | 55 Ų | 55 | 114.4 Ų | 114.4 | 29% | 0.288 | 58% | 0.581 | S | S | . | * | trans | -44.1 | 98.4 | 165.8 | -71.8 | 162.7 | 0 | 0 | 0 | 105.8 | L62 F65 I124 Q263 W267 | L62-L265 HydrophobicContact CD2-CD1 4.37Å; F65-L265 HydrophobicContact CB-CD1 3.79Å; F65-L265 HydrophobicContact CD1-CD1 4.13Å; F65-L265 HydrophobicContact CD2-CB 3.79Å; F65-L265 HydrophobicContact CD2-CD1 3.42Å; F65-L265 VanDerWaalsContact CD2-CD1 3.42Å; F65-L265 HydrophobicContact CD2-CG 4.01Å; F65-L265 HydrophobicContact CE2-CB 3.72Å; F65-L265 HydrophobicContact CE2-CD1 4Å; F65-L265 HydrophobicContact CE2-CG 4.41Å; F65-L265 HydrophobicContact CG-CD1 3.48Å; F65-L265 VanDerWaalsContact CG-CD1 3.48Å; I124-L265 HydrophobicContact CG2-CD1 3.57Å; Q263-L265 PolarHBondContact O-N 3.14Å; Q263-L265 VanDerWaalsContact O-N 3.08Å; L265-W267 PolarHBondContact O-N 3.2Å | ||
| 266 | K | 41.4 | Very low | 50.5 | Low | 178 Ų | 178 | 115.9 Ų | 115.9 | 77% | 0.774 | 57% | 0.574 | S | S | * | * | trans | -70.5 | 125.1 | -177.1 | -87.1 | -177.7 | 177.3 | 177.3 | 0 | 102.9 | K264 I268 | K264-K266 PolarHBondContact O-N 3.02Å; K266-I268 PolarHBondContact O-N 3.08Å | ||
| 267 | W | 47.8 | Very low | 50.8 | Low | 162 Ų | 162 | 111.8 Ų | 111.8 | 61% | 0.614 | 56% | 0.561 | S | S | * | * | trans | -55.2 | 95.5 | 168 | -71 | 98.3 | 0 | 0 | 0 | 107.7 | F65 I124 L265 V269 | F65-W267 HydrophobicContact CZ-CZ2 4.48Å; I124-W267 HydrophobicContact CD1-CH2 4.45Å; L265-W267 PolarHBondContact O-N 3.2Å; W267-V269 HydrophobicContact CB-CG2 4.08Å; W267-V269 PolarHBondContact O-N 2.68Å | ||
| 268 | I | 49.1 | Very low | 51 | Low | 146 Ų | 146 | 120 Ų | 120 | 75% | 0.749 | 59% | 0.594 | S | S | * | * | trans | -78.3 | 81.3 | 165.7 | -57.2 | 176.9 | 0 | 0 | 0 | 104.1 | K266 S270 | K266-I268 PolarHBondContact O-N 3.08Å; I268-S270 PolarHBondContact O-N 2.91Å | ||
| 269 | V | 50.9 | Low | 50.7 | Low | 50 Ų | 50 | 124.1 Ų | 124.1 | 30% | 0.303 | 60% | 0.602 | S | S | . | * | trans | -60.7 | 124.7 | 171.5 | -176 | 0 | 0 | 0 | 0 | 106.4 | W267 G271 T273 A274 L277 | W267-V269 HydrophobicContact CB-CG2 4.08Å; W267-V269 PolarHBondContact O-N 2.68Å; V269-G271 PolarHBondContact O-N 3.37Å; V269-T273 VanDerWaalsContact CG1-C 3.46Å; V269-T273 HydrophobicContact CG1-CG2 3.49Å; V269-T273 VanDerWaalsContact CG1-CG2 3.49Å; V269-A274 HydrophobicContact CB-CB 4.29Å; V269-A274 HydrophobicContact CG1-CB 3.87Å; V269-L277 HydrophobicContact CG1-CD1 3.71Å; V269-L277 HydrophobicContact CG2-CD1 4.07Å | ||
| 270 | S | 55.9 | Low | 50.5 | Low | 59 Ų | 59 | 123.5 Ų | 123.5 | 41% | 0.413 | 61% | 0.614 | S | S | . | * | trans | -53.8 | 146 | 176.2 | 84.3 | 0 | 0 | 0 | 0 | 109.4 | I268 R272 T273 A274 | I268-S270 PolarHBondContact O-N 2.91Å; S270-R272 PolarHBondContact O-N 3.25Å; S270-T273 CarbonylContact O-C 3.58Å; S270-T273 WeakPolarHBondContact O-CA 3.47Å; S270-T273 PolarHBondContact O-N 3.12Å; S270-T273 PolarHBondContact OG-N 2.63Å; S270-T273 VanDerWaalsContact OG-N 3.12Å; S270-T273 PolarHBondContact OG-OG1 3.24Å; S270-A274 PolarHBondContact O-N 2.72Å | ||
| 271 | G | 54.4 | Low | 50.1 | Low | 52 Ų | 52 | 132 Ų | 132 | 54% | 0.536 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -54.4 | -24.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | V269 R275 | V269-G271 PolarHBondContact O-N 3.37Å; G271-R275 WeakPolarHBondContact O-CD 3.36Å; G271-R275 WeakPolarHBondContact O-CG 3.42Å; G271-R275 PolarHBondContact O-N 3.36Å |
| 272 | R | 57.6 | Low | 50.2 | Low | 206 Ų | 206 | 137.4 Ų | 137.4 | 78% | 0.777 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -73.9 | -46.2 | 172.6 | -62.9 | -176.3 | -167.7 | 178.7 | 3.6 | 112.2 | S270 A274 R275 Q276 | S270-R272 PolarHBondContact O-N 3.25Å; R272-A274 VanDerWaalsContact C-N 3.34Å; R272-R275 PolarHBondContact O-N 3.07Å; R272-Q276 PolarHBondContact O-N 3.18Å |
| 273 | T | 58.7 | Low | 50.3 | Low | 65 Ų | 65 | 142.7 Ų | 142.7 | 40% | 0.399 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -66.8 | -36.6 | 177.9 | -48.1 | 0 | 0 | 0 | 0 | 111 | V269 S270 R275 Q276 L277 | V269-T273 VanDerWaalsContact CG1-C 3.46Å; V269-T273 HydrophobicContact CG1-CG2 3.49Å; V269-T273 VanDerWaalsContact CG1-CG2 3.49Å; S270-T273 CarbonylContact O-C 3.58Å; S270-T273 WeakPolarHBondContact O-CA 3.47Å; S270-T273 PolarHBondContact O-N 3.12Å; S270-T273 PolarHBondContact OG-N 2.63Å; S270-T273 VanDerWaalsContact OG-N 3.12Å; S270-T273 PolarHBondContact OG-OG1 3.24Å; T273-R275 VanDerWaalsContact C-N 3.28Å; T273-R275 PolarHBondContact O-N 2.82Å; T273-Q276 PolarHBondContact O-N 3.27Å; T273-Q276 VanDerWaalsContact O-N 3.07Å; T273-L277 HydrophobicContact CG2-CD1 4.42Å; T273-L277 HydrophobicContact CG2-CG 4.41Å; T273-L277 WeakPolarHBondContact O-CG 3.37Å; T273-L277 PolarHBondContact O-N 2.92Å |
| 274 | A | 61.6 | Low | 50.4 | Low | 54 Ų | 54 | 143.1 Ų | 143.1 | 45% | 0.446 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -65.9 | -32.4 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | V269 S270 R272 Q276 | V269-A274 HydrophobicContact CB-CB 4.29Å; V269-A274 HydrophobicContact CG1-CB 3.87Å; S270-A274 PolarHBondContact O-N 2.72Å; R272-A274 VanDerWaalsContact C-N 3.34Å; A274-Q276 VanDerWaalsContact C-N 3.34Å |
| 275 | R | 61.3 | Low | 50.7 | Low | 228 Ų | 228 | 140.2 Ų | 140.2 | 86% | 0.86 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -75.3 | -20.4 | 174.2 | -71.3 | 171.4 | -174.1 | -177.2 | 1.5 | 113.5 | G271 R272 T273 | G271-R275 WeakPolarHBondContact O-CD 3.36Å; G271-R275 WeakPolarHBondContact O-CG 3.42Å; G271-R275 PolarHBondContact O-N 3.36Å; R272-R275 PolarHBondContact O-N 3.07Å; T273-R275 VanDerWaalsContact C-N 3.28Å; T273-R275 PolarHBondContact O-N 2.82Å |
| 276 | Q | 57.4 | Low | 50.9 | Low | 158 Ų | 158 | 145.8 Ų | 145.8 | 74% | 0.738 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -98.8 | -20 | -179.7 | -74 | 179.9 | -18.3 | 0 | 0 | 113.5 | R272 T273 A274 K278 | R272-Q276 PolarHBondContact O-N 3.18Å; T273-Q276 PolarHBondContact O-N 3.27Å; T273-Q276 VanDerWaalsContact O-N 3.07Å; A274-Q276 VanDerWaalsContact C-N 3.34Å; Q276-K278 PolarHBondContact O-N 2.93Å |
| 277 | L | 55.2 | Low | 51.6 | Low | 108 Ų | 108 | 145 Ų | 145 | 57% | 0.565 | 70% | 0.695 | S | S | * | * | trans | -69.7 | 98.7 | 170.3 | -72.7 | 171.9 | 0 | 0 | 0 | 109.1 | V269 T273 | V269-L277 HydrophobicContact CG1-CD1 3.71Å; V269-L277 HydrophobicContact CG2-CD1 4.07Å; T273-L277 HydrophobicContact CG2-CD1 4.42Å; T273-L277 HydrophobicContact CG2-CG 4.41Å; T273-L277 WeakPolarHBondContact O-CG 3.37Å; T273-L277 PolarHBondContact O-N 2.92Å | ||
| 278 | K | 50 | Low | 52 | Low | 194 Ų | 194 | 142.8 Ų | 142.8 | 84% | 0.843 | 70% | 0.702 | S | S | * | * | trans | -67 | 132.4 | 165.8 | -71.4 | -176 | 177.3 | -179.4 | 0 | 108.6 | Q276 S280 | Q276-K278 PolarHBondContact O-N 2.93Å; K278-S280 PolarHBondContact O-N 2.86Å | ||
| 279 | H | 44.6 | Very low | 52.7 | Low | 183 Ų | 183 | 142.3 Ų | 142.3 | 85% | 0.847 | 71% | 0.706 | S | S | * | * | trans | -57.3 | 94.4 | 172.8 | -79.5 | -78.4 | 0 | 0 | 0 | 110.8 | Y281 | H279-Y281 VanDerWaalsContact C-N 3.29Å; H279-Y281 PolarHBondContact O-N 3.04Å | ||
| 280 | S | 46.9 | Very low | 53 | Low | 116 Ų | 116 | 147 Ų | 147 | 81% | 0.811 | 73% | 0.728 | S | S | * | * | trans | -87.1 | 71.9 | 169.4 | 57.5 | 0 | 0 | 0 | 0 | 109.4 | K278 | K278-S280 PolarHBondContact O-N 2.86Š| ||
| 281 | Y | 42.3 | Very low | 53.3 | Low | 199 Ų | 199 | 149.6 Ų | 149.6 | 78% | 0.78 | 74% | 0.743 | S | S | * | * | trans | -107.2 | -3.8 | 169.2 | -98.4 | -79.1 | 0 | 0 | 0 | 114.2 | H279 | H279-Y281 VanDerWaalsContact C-N 3.29Å; H279-Y281 PolarHBondContact O-N 3.04Å | ||
| 282 | Y | 44.1 | Very low | 53.4 | Low | 218 Ų | 218 | 156 Ų | 156 | 86% | 0.855 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -145.8 | 103.6 | 172.3 | -73.4 | -82.2 | 0 | 0 | 0 | 111.3 | ||
| 283 | R | 46.3 | Very low | 53.3 | Low | 238 Ų | 238 | 152.6 Ų | 152.6 | 90% | 0.898 | 76% | 0.762 | S | S | * | * | trans | 179.5 | 63.9 | 141.4 | -98.3 | 176 | -171.3 | -162.6 | 2.7 | 108.9 | T285 | R283-T285 VanDerWaalsContact C-N 3.32Å; R283-T285 PolarHBondContact O-N 3.49Å | ||
| 284 | I | 43.6 | Very low | 52.9 | Low | 157 Ų | 157 | 154.9 Ų | 154.9 | 81% | 0.805 | 78% | 0.78 | S | S | * | * | trans | -79.1 | 97.8 | 146.8 | -60.1 | 170.4 | 0 | 0 | 0 | 103.4 | H286 | I284-H286 PolarHBondContact O-N 3.19Š| ||
| 285 | T | 48.3 | Very low | 52.2 | Low | 118 Ų | 118 | 161.5 Ų | 161.5 | 72% | 0.724 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -66 | 116.1 | 164.4 | 44.4 | 0 | 0 | 0 | 0 | 106.2 | R283 L287 | R283-T285 VanDerWaalsContact C-N 3.32Å; R283-T285 PolarHBondContact O-N 3.49Å; T285-L287 PolarHBondContact O-N 3.33Å |
| 286 | H | 52.4 | Low | 51.7 | Low | 172 Ų | 172 | 158.2 Ų | 158.2 | 80% | 0.796 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 132.8 | 173.1 | -71 | -87.8 | 0 | 0 | 0 | 109.2 | I284 | I284-H286 PolarHBondContact O-N 3.19Š|
| 287 | L | 55.1 | Low | 51.4 | Low | 161 Ų | 161 | 158.2 Ų | 158.2 | 84% | 0.843 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 138.4 | 170.5 | -76.2 | 159 | 0 | 0 | 0 | 108.5 | T285 T289 | T285-L287 PolarHBondContact O-N 3.33Å; L287-T289 PolarHBondContact O-N 2.84Å |
| 288 | P | 57.2 | Low | 51.2 | Low | 116 Ų | 116 | 161 Ų | 161 | 75% | 0.753 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 135.8 | 178.6 | 25.2 | -31.5 | 0 | 0 | 0 | 110.5 | I290 | P288-I290 PolarHBondContact O-N 3.4Š|
| 289 | T | 62.6 | Low | 51.2 | Low | 137 Ų | 137 | 159.1 Ų | 159.1 | 84% | 0.84 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 126.4 | 176.3 | -39.2 | 0 | 0 | 0 | 0 | 109.8 | L287 P291 | L287-T289 PolarHBondContact O-N 2.84Å; T289-P291 WeakPolarHBondContact O-CD 3.21Å |
| 290 | I | 57.2 | Low | 51.7 | Low | 149 Ų | 149 | 157.6 Ų | 157.6 | 76% | 0.764 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 121.6 | 172.8 | -58.4 | 170.8 | 0 | 0 | 0 | 107.3 | P288 E292 | P288-I290 PolarHBondContact O-N 3.4Å; I290-E292 PolarHBondContact O-N 2.87Å |
| 291 | P | 62.8 | Low | 52 | Low | 112 Ų | 112 | 160.3 Ų | 160.3 | 73% | 0.727 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 119.9 | 176 | 27.3 | -29.8 | 0 | 0 | 0 | 109.7 | T289 T293 | T289-P291 WeakPolarHBondContact O-CD 3.21Å; P291-T293 PolarHBondContact O-N 3.29Å |
| 292 | E | 55.9 | Low | 52.7 | Low | 187 Ų | 187 | 157.6 Ų | 157.6 | 87% | 0.874 | 85% | 0.846 | S | S | * | * | trans | -73.6 | 111.4 | 164.7 | -66.4 | -168.7 | 176.4 | 0 | 0 | 108.2 | I290 S294 | I290-E292 PolarHBondContact O-N 2.87Å; E292-S294 PolarHBondContact O-N 2.93Å; E292-S294 VanDerWaalsContact O-N 3.15Å | ||
| 293 | T | 56.2 | Low | 53.3 | Low | 135 Ų | 135 | 152.9 Ų | 152.9 | 83% | 0.828 | 85% | 0.846 | S | S | * | * | trans | -73.3 | 101.7 | 170.5 | 47.1 | 0 | 0 | 0 | 0 | 108.9 | P291 | P291-T293 PolarHBondContact O-N 3.29Š| ||
| 294 | S | 49.8 | Very low | 53.9 | Low | 112 Ų | 112 | 145.8 Ų | 145.8 | 78% | 0.783 | 84% | 0.841 | S | S | * | * | trans | -89.4 | 92.4 | 160.4 | 31.5 | 0 | 0 | 0 | 0 | 109.2 | E292 | E292-S294 PolarHBondContact O-N 2.93Å; E292-S294 VanDerWaalsContact O-N 3.15Å | ||
| 295 | S | 46 | Very low | 54.9 | Low | 194 Ų | 194 | 144.8 Ų | 144.8 | 100% | 1.357 | 85% | 0.845 | S | S | * | * | trans | -178.3 | 0 | 145.6 | -74.9 | 0 | 0 | 0 | 0 | 109.2 |
Retrieved 295 of 295 residues in 795.2 ms
(Link to these results)