| 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 | 32.1 | Very low | 51.2 | Low | 245 Ų | 245 | 125.9 Ų | 125.9 | 100% | 1.207 | 63% | 0.626 | S | S | * | * | 0 | 107.4 | 0 | -74 | 171.7 | 179 | 0 | 0 | 107.6 | |||||
| 2 | I | 38.9 | Very low | 53.8 | Low | 95 Ų | 95 | 116.8 Ų | 116.8 | 49% | 0.487 | 58% | 0.58 | S | S | . | * | trans | -76.6 | 133.5 | 172.1 | -63.6 | 171.7 | 0 | 0 | 0 | 106.6 | T4 A6 I10 | I2-T4 PolarHBondContact O-N 3.12Å; I2-A6 HydrophobicContact CG2-CB 3.65Å; I2-I10 HydrophobicContact CD1-CD1 4.31Å; I2-I10 HydrophobicContact CG2-CD1 4.42Å | ||
| 3 | P | 40.5 | Very low | 56.3 | Low | 96 Ų | 96 | 120.9 Ų | 120.9 | 62% | 0.623 | 59% | 0.585 | S | S | * | * | trans | -55 | 134.2 | 180 | 19 | -30.4 | 0 | 0 | 0 | 110.8 | R5 A6 | P3-R5 PolarHBondContact O-N 3.45Å; P3-A6 PolarHBondContact O-N 3.44Å | ||
| 4 | T | 47.2 | Very low | 58.7 | Low | 129 Ų | 129 | 116.9 Ų | 116.9 | 79% | 0.791 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -52.3 | -23.5 | -171.8 | 49.7 | 0 | 0 | 0 | 0 | 114.5 | I2 S7 | I2-T4 PolarHBondContact O-N 3.12Å; T4-S7 WeakPolarHBondContact O-CB 3.37Å; T4-S7 PolarHBondContact O-N 3.02Å |
| 5 | R | 41.6 | Very low | 60.9 | Low | 218 Ų | 218 | 109.2 Ų | 109.2 | 82% | 0.823 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -73.1 | -31.3 | 175.9 | -150.1 | 174.7 | -172.2 | 175.9 | 1.5 | 113.5 | P3 | P3-R5 PolarHBondContact O-N 3.45Å |
| 6 | A | 47.4 | Very low | 62.6 | Low | 35 Ų | 35 | 102.5 Ų | 102.5 | 29% | 0.289 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -76.9 | -24.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | I2 P3 K8 W9 I10 | I2-A6 HydrophobicContact CG2-CB 3.65Å; P3-A6 PolarHBondContact O-N 3.44Å; A6-K8 VanDerWaalsContact C-N 3.28Å; A6-K8 PolarHBondContact O-N 3.31Å; A6-W9 PolarHBondContact O-N 3.46Å; A6-I10 WeakPolarHBondContact O-CG1 3.47Å; A6-I10 PolarHBondContact O-N 3Å |
| 7 | S | 54.9 | Low | 64.3 | Low | 80 Ų | 80 | 102 Ų | 102 | 56% | 0.559 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -59 | -33.8 | 176.3 | -172.2 | 0 | 0 | 0 | 0 | 113.4 | T4 W9 | T4-S7 WeakPolarHBondContact O-CB 3.37Å; T4-S7 PolarHBondContact O-N 3.02Å; S7-W9 VanDerWaalsContact C-N 3.31Å; S7-W9 PolarHBondContact O-N 3.22Å |
| 8 | K | 53.5 | Low | 66 | Low | 188 Ų | 188 | 97.1 Ų | 97.1 | 82% | 0.817 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -29.1 | 178.3 | -80.9 | -169.2 | 176.4 | -175 | 0 | 114 | A6 | A6-K8 VanDerWaalsContact C-N 3.28Å; A6-K8 PolarHBondContact O-N 3.31Å |
| 9 | W | 55.3 | Low | 67.4 | Low | 197 Ų | 197 | 91.9 Ų | 91.9 | 75% | 0.746 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | -28 | -176.6 | -64.3 | 87.3 | 0 | 0 | 0 | 112.2 | A6 S7 N11 L14 | A6-W9 PolarHBondContact O-N 3.46Å; S7-W9 VanDerWaalsContact C-N 3.31Å; S7-W9 PolarHBondContact O-N 3.22Å; W9-N11 PolarHBondContact O-N 3.39Å; W9-N11 VanDerWaalsContact O-N 3.13Å; W9-L14 WeakPolarHBondContact O-CD2 3.48Å |
| 10 | I | 69.9 | Low | 68.7 | Low | 28 Ų | 28 | 87.9 Ų | 87.9 | 14% | 0.144 | 43% | 0.43 | C | S | . | . | trans | -83.1 | 91.6 | 177.7 | -60 | 170.1 | 0 | 0 | 0 | 107.6 | I2 A6 L243 F244 P245 F248 | I2-I10 HydrophobicContact CD1-CD1 4.31Å; I2-I10 HydrophobicContact CG2-CD1 4.42Å; A6-I10 WeakPolarHBondContact O-CG1 3.47Å; A6-I10 PolarHBondContact O-N 3Å; I10-L243 HydrophobicContact CD1-CB 4.5Å; I10-F244 HydrophobicContact CG2-CD1 3.6Å; I10-F244 HydrophobicContact CG2-CE1 3.81Å; I10-F244 HydrophobicContact CG2-CG 4.25Å; I10-P245 HydrophobicContact CG2-CG 4.4Å; I10-F248 HydrophobicContact CG2-CE1 4.13Å; I10-F248 HydrophobicContact CG2-CZ 4.34Å; I10-F248 WeakPolarHBondContact O-CE1 3.48Å | ||
| 11 | N | 82.3 | Confident | 69.9 | Low | 74 Ų | 74 | 86.2 Ų | 86.2 | 40% | 0.396 | 42% | 0.423 | S | S | . | . | trans | -130.3 | 151.6 | 176 | -169.8 | -8.7 | 0 | 0 | 0 | 109.5 | W9 R13 L14 F15 | W9-N11 PolarHBondContact O-N 3.39Å; W9-N11 VanDerWaalsContact O-N 3.13Å; N11-R13 PolarHBondContact O-N 3.45Å; N11-R13 VanDerWaalsContact O-N 3.1Å; N11-L14 WeakPolarHBondContact O-CB 3.45Å; N11-L14 PolarHBondContact O-N 3.26Å; N11-F15 PolarHBondContact O-N 2.85Å; N11-F15 VanDerWaalsContact O-N 3.1Å | ||
| 12 | I | 82.6 | Confident | 73 | Confident | 16 Ų | 16 | 74.6 Ų | 74.6 | 8% | 0.082 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -55.6 | -29 | 178.1 | -165.5 | 57.1 | 0 | 0 | 0 | 112.7 | F15 S16 Y171 I172 N175 V176 F248 | I12-F15 HydrophobicContact CD1-CB 4.29Å; I12-F15 HydrophobicContact CD1-CD1 4.18Å; I12-F15 HydrophobicContact CD1-CG 4.49Å; I12-F15 PolarHBondContact O-N 3.41Å; I12-S16 WeakPolarHBondContact O-CB 3.49Å; I12-S16 PolarHBondContact O-N 3.15Å; I12-S16 PolarHBondContact O-OG 2.94Å; I12-Y171 HydrophobicContact CD1-CD1 4.21Å; I12-Y171 HydrophobicContact CD1-CE1 3.96Å; I12-I172 HydrophobicContact CD1-CG1 4.3Å; I12-N175 HydrophobicContact CD1-CB 3.79Å; I12-N175 HydrophobicContact CG1-CB 4.03Å; I12-V176 HydrophobicContact CB-CG2 4.49Å; I12-V176 HydrophobicContact CG1-CG2 3.57Å; I12-V176 HydrophobicContact CG2-CG2 4.05Å; I12-F248 HydrophobicContact CB-CD2 4.43Å; I12-F248 HydrophobicContact CB-CE2 3.98Å; I12-F248 HydrophobicContact CB-CZ 4.38Å; I12-F248 HydrophobicContact CD1-CD2 4.46Å; I12-F248 HydrophobicContact CD1-CE2 3.89Å; I12-F248 HydrophobicContact CG1-CE2 4.48Å |
| 13 | R | 86.5 | Confident | 75.6 | Confident | 171 Ų | 171 | 70 Ų | 70 | 65% | 0.645 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -61.5 | -45 | 172.8 | -58.1 | -166 | 174.2 | 167 | -0.4 | 112.6 | N11 S16 L17 Y184 | N11-R13 PolarHBondContact O-N 3.45Å; N11-R13 VanDerWaalsContact O-N 3.1Å; R13-S16 PolarHBondContact O-N 2.89Å; R13-L17 WeakPolarHBondContact O-CB 3.41Å; R13-L17 PolarHBondContact O-N 3.24Å; R13-Y184 WeakPolarHBondContact CG-OH 3.41Å |
| 14 | L | 89.6 | Confident | 78.2 | Confident | 65 Ų | 65 | 66.2 Ų | 66.2 | 34% | 0.34 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -69 | -41.4 | 177.5 | -180 | 63.4 | 0 | 0 | 0 | 110.5 | W9 N11 S16 L17 L18 F244 | W9-L14 WeakPolarHBondContact O-CD2 3.48Å; N11-L14 WeakPolarHBondContact O-CB 3.45Å; N11-L14 PolarHBondContact O-N 3.26Å; L14-S16 VanDerWaalsContact C-N 3.33Å; L14-S16 PolarHBondContact O-N 2.83Å; L14-L17 PolarHBondContact O-N 3.46Å; L14-L18 HydrophobicContact CD1-CD1 4.45Å; L14-L18 HydrophobicContact CD1-CG 4.33Å; L14-L18 HydrophobicContact CG-CD1 4.11Å; L14-L18 HydrophobicContact CG-CG 4.44Å; L14-L18 WeakPolarHBondContact O-CG 3.41Å; L14-L18 PolarHBondContact O-N 3.15Å; L14-F244 HydrophobicContact CB-CZ 4.24Å; L14-F244 HydrophobicContact CD2-CZ 4.16Å; L14-F244 HydrophobicContact CG-CZ 4.09Å |
| 15 | F | 90.7 | Very high | 80.5 | Confident | 1 Ų | 1 | 60.5 Ų | 60.5 | 0% | 0.004 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -56 | -49.8 | 174 | -176.6 | -93.7 | 0 | 0 | 0 | 111 | N11 I12 L17 L18 M19 I82 Y171 I172 L241 F244 | N11-F15 PolarHBondContact O-N 2.85Å; N11-F15 VanDerWaalsContact O-N 3.1Å; I12-F15 HydrophobicContact CD1-CB 4.29Å; I12-F15 HydrophobicContact CD1-CD1 4.18Å; I12-F15 HydrophobicContact CD1-CG 4.49Å; I12-F15 PolarHBondContact O-N 3.41Å; F15-L17 VanDerWaalsContact C-N 3.33Å; F15-L17 PolarHBondContact O-N 2.86Å; F15-L18 PolarHBondContact O-N 3.41Å; F15-M19 HydrophobicContact CD1-CG 3.89Å; F15-M19 HydrophobicContact CE1-CG 3.43Å; F15-M19 VanDerWaalsContact CE1-CG 3.43Å; F15-M19 HydrophobicContact CE1-SD 4.28Å; F15-M19 HydrophobicContact CE2-CG 4.36Å; F15-M19 HydrophobicContact CE2-SD 4.39Å; F15-M19 HydrophobicContact CZ-CG 3.71Å; F15-M19 HydrophobicContact CZ-SD 3.93Å; F15-M19 WeakPolarHBondContact O-CG 3.34Å; F15-M19 PolarHBondContact O-N 2.79Å; F15-I82 HydrophobicContact CZ-CD1 3.82Å; F15-Y171 AromaticContact CD1-CD1 3.74Å; F15-Y171 HydrophobicContact CD1-CD1 3.74Å; F15-Y171 AromaticContact CD1-CE1 3.91Å; F15-Y171 HydrophobicContact CD1-CE1 3.91Å; F15-Y171 HydrophobicContact CD2-CD1 4.42Å; F15-Y171 HydrophobicContact CD2-CE1 4.02Å; F15-Y171 AromaticContact CE1-CD1 3.38Å; F15-Y171 HydrophobicContact CE1-CD1 3.38Å; F15-Y171 AromaticContact CE1-CE1 3.92Å; F15-Y171 HydrophobicContact CE1-CE1 3.92Å; F15-Y171 HydrophobicContact CE1-CG 4.39Å; F15-Y171 HydrophobicContact CE2-CD1 4.1Å; F15-Y171 HydrophobicContact CE2-CE1 4.01Å; F15-Y171 HydrophobicContact CG-CD1 4.25Å; F15-Y171 AromaticContact CG-CE1 3.96Å; F15-Y171 HydrophobicContact CG-CE1 3.96Å; F15-Y171 AromaticContact CZ-CD1 3.57Å; F15-Y171 HydrophobicContact CZ-CD1 3.57Å; F15-Y171 AromaticContact CZ-CE1 3.96Å; F15-Y171 HydrophobicContact CZ-CE1 3.96Å; F15-Y171 HydrophobicContact CZ-CG 4.41Å; F15-I172 HydrophobicContact CD1-CD1 3.9Å; F15-I172 HydrophobicContact CD1-CG1 3.65Å; F15-I172 HydrophobicContact CE1-CD1 3.89Å; F15-I172 HydrophobicContact CE1-CG1 3.72Å; F15-L241 HydrophobicContact CD2-CD2 3.79Å; F15-L241 HydrophobicContact CE2-CD2 3.75Å; F15-F244 HydrophobicContact CB-CD1 3.93Å; F15-F244 HydrophobicContact CB-CE1 3.55Å; F15-F244 HydrophobicContact CB-CZ 3.89Å; F15-F244 HydrophobicContact CD2-CB 4.3Å; F15-F244 AromaticContact CD2-CD1 3.91Å; F15-F244 HydrophobicContact CD2-CD1 3.91Å; F15-F244 HydrophobicContact CD2-CD2 4.01Å; F15-F244 HydrophobicContact CD2-CE1 4.24Å; F15-F244 HydrophobicContact CD2-CE2 4.3Å; F15-F244 AromaticContact CD2-CG 3.79Å; F15-F244 HydrophobicContact CD2-CG 3.79Å; F15-F244 HydrophobicContact CD2-CZ 4.41Å; F15-F244 HydrophobicContact CG-CD1 4.35Å; F15-F244 HydrophobicContact CG-CE1 4.39Å |
| 16 | S | 88.8 | Confident | 83 | Confident | 2 Ų | 2 | 50.3 Ų | 50.3 | 1% | 0.014 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.3 | -41.3 | 179.8 | -55.4 | 0 | 0 | 0 | 0 | 112 | I12 R13 L14 M19 C20 Y184 | I12-S16 WeakPolarHBondContact O-CB 3.49Å; I12-S16 PolarHBondContact O-N 3.15Å; I12-S16 PolarHBondContact O-OG 2.94Å; R13-S16 PolarHBondContact O-N 2.89Å; L14-S16 VanDerWaalsContact C-N 3.33Å; L14-S16 PolarHBondContact O-N 2.83Å; S16-M19 PolarHBondContact O-N 3.41Å; S16-C20 PolarHBondContact O-N 3.32Å; S16-C20 PolarHBondContact O-SG 3.26Å; S16-Y184 WeakPolarHBondContact OG-CD1 3.32Å |
| 17 | L | 92 | Very high | 85.2 | Confident | 94 Ų | 94 | 48.7 Ų | 48.7 | 49% | 0.492 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -62.3 | -46.8 | 175.3 | -177.2 | 151.8 | 0 | 0 | 0 | 111.8 | R13 L14 F15 M19 C20 I21 | R13-L17 WeakPolarHBondContact O-CB 3.41Å; R13-L17 PolarHBondContact O-N 3.24Å; L14-L17 PolarHBondContact O-N 3.46Å; F15-L17 VanDerWaalsContact C-N 3.33Å; F15-L17 PolarHBondContact O-N 2.86Å; L17-M19 VanDerWaalsContact C-N 3.3Å; L17-M19 PolarHBondContact O-N 3.33Å; L17-C20 WeakPolarHBondContact O-CB 3.41Å; L17-C20 PolarHBondContact O-N 3.38Å; L17-I21 HydrophobicContact CD2-CD1 3.72Å; L17-I21 WeakPolarHBondContact O-CG1 3.22Å; L17-I21 PolarHBondContact O-N 2.83Å; L17-I21 VanDerWaalsContact O-N 3.13Å |
| 18 | L | 93.9 | Very high | 87.2 | Confident | 13 Ų | 13 | 45.8 Ų | 45.8 | 7% | 0.068 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.8 | -40.1 | 176.8 | -69.5 | 170.5 | 0 | 0 | 0 | 111.4 | L14 F15 I21 V22 F237 P240 L241 F244 | L14-L18 HydrophobicContact CD1-CD1 4.45Å; L14-L18 HydrophobicContact CD1-CG 4.33Å; L14-L18 HydrophobicContact CG-CD1 4.11Å; L14-L18 HydrophobicContact CG-CG 4.44Å; L14-L18 WeakPolarHBondContact O-CG 3.41Å; L14-L18 PolarHBondContact O-N 3.15Å; F15-L18 PolarHBondContact O-N 3.41Å; L18-I21 WeakPolarHBondContact O-CB 3.25Å; L18-I21 PolarHBondContact O-N 3.25Å; L18-V22 WeakPolarHBondContact O-CG2 3.41Å; L18-V22 PolarHBondContact O-N 2.86Å; L18-F237 HydrophobicContact CD2-CD1 3.82Å; L18-F237 HydrophobicContact CD2-CE1 4.38Å; L18-P240 HydrophobicContact CD1-CB 3.97Å; L18-P240 HydrophobicContact CD1-CG 4.07Å; L18-P240 HydrophobicContact CD2-CG 4.05Å; L18-L241 HydrophobicContact CB-CD2 3.79Å; L18-L241 HydrophobicContact CB-CG 4.22Å; L18-L241 HydrophobicContact CD1-CD2 4.04Å; L18-L241 HydrophobicContact CD1-CG 4.3Å; L18-F244 HydrophobicContact CD1-CE2 3.79Å; L18-F244 HydrophobicContact CD1-CZ 4.19Å |
| 19 | M | 93.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.3 | -37.5 | 176 | -70.6 | -46.2 | -49.1 | 0 | 0 | 112.8 | F15 S16 L17 I21 V22 I23 I82 F164 A168 I172 L188 L241 | F15-M19 HydrophobicContact CD1-CG 3.89Å; F15-M19 HydrophobicContact CE1-CG 3.43Å; F15-M19 VanDerWaalsContact CE1-CG 3.43Å; F15-M19 HydrophobicContact CE1-SD 4.28Å; F15-M19 HydrophobicContact CE2-CG 4.36Å; F15-M19 HydrophobicContact CE2-SD 4.39Å; F15-M19 HydrophobicContact CZ-CG 3.71Å; F15-M19 HydrophobicContact CZ-SD 3.93Å; F15-M19 WeakPolarHBondContact O-CG 3.34Å; F15-M19 PolarHBondContact O-N 2.79Å; S16-M19 PolarHBondContact O-N 3.41Å; L17-M19 VanDerWaalsContact C-N 3.3Å; L17-M19 PolarHBondContact O-N 3.33Å; M19-I21 VanDerWaalsContact C-N 3.26Å; M19-I21 PolarHBondContact O-N 3.47Å; M19-V22 HydrophobicContact CE-CB 4.2Å; M19-V22 HydrophobicContact CE-CG1 4.16Å; M19-V22 PolarHBondContact O-N 2.82Å; M19-I23 WeakPolarHBondContact O-CG1 3.33Å; M19-I23 PolarHBondContact O-N 3.11Å; M19-I82 HydrophobicContact CE-CG2 3.97Å; M19-I82 HydrophobicContact SD-CG2 3.77Å; M19-F164 HydrophobicContact CE-CB 3.64Å; M19-A168 HydrophobicContact CE-CB 3.68Å; M19-A168 HydrophobicContact CG-CB 4.25Å; M19-A168 HydrophobicContact SD-CB 4.27Å; M19-I172 HydrophobicContact CB-CD1 4.4Å; M19-I172 HydrophobicContact CG-CD1 4.37Å; M19-L188 HydrophobicContact CB-CD2 3.67Å; M19-L241 HydrophobicContact SD-CD1 3.97Å; M19-L241 HydrophobicContact SD-CD2 3.91Å |
| 20 | C | 93 | Very high | 91 | Very high | 11 Ų | 11 | 29.8 Ų | 29.8 | 7% | 0.074 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.8 | -40.7 | 173.1 | -67.3 | 0 | 0 | 0 | 0 | 111.2 | S16 L17 A24 L187 M191 | S16-C20 PolarHBondContact O-N 3.32Å; S16-C20 PolarHBondContact O-SG 3.26Å; L17-C20 WeakPolarHBondContact O-CB 3.41Å; L17-C20 PolarHBondContact O-N 3.38Å; C20-A24 VanDerWaalsContact O-CB 3.27Å; C20-A24 WeakPolarHBondContact O-CB 3.08Å; C20-A24 PolarHBondContact O-N 2.89Å; C20-L187 VanDerWaalsContact SG-CD2 3.54Å; C20-L187 VanDerWaalsContact SG-CG 3.56Å; C20-M191 HydrophobicContact CB-CG 3.93Å; C20-M191 WeakPolarHBondContact O-CG 3.32Å |
| 21 | I | 94.6 | Very high | 92 | Very high | 53 Ų | 53 | 28.5 Ų | 28.5 | 27% | 0.272 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -64.9 | -44.9 | 175.5 | -63.4 | 169.7 | 0 | 0 | 0 | 110.9 | L17 L18 M19 I23 A24 I25 F237 | L17-I21 HydrophobicContact CD2-CD1 3.72Å; L17-I21 WeakPolarHBondContact O-CG1 3.22Å; L17-I21 PolarHBondContact O-N 2.83Å; L17-I21 VanDerWaalsContact O-N 3.13Å; L18-I21 WeakPolarHBondContact O-CB 3.25Å; L18-I21 PolarHBondContact O-N 3.25Å; M19-I21 VanDerWaalsContact C-N 3.26Å; M19-I21 PolarHBondContact O-N 3.47Å; I21-I23 PolarHBondContact O-N 3.44Å; I21-A24 WeakPolarHBondContact O-CB 3.26Å; I21-A24 PolarHBondContact O-N 3.01Å; I21-I25 HydrophobicContact CG2-CD1 3.99Å; I21-I25 HydrophobicContact CG2-CG1 4.46Å; I21-I25 VanDerWaalsContact O-CG1 3.28Å; I21-I25 WeakPolarHBondContact O-CG1 3.49Å; I21-I25 PolarHBondContact O-N 2.87Å; I21-F237 HydrophobicContact CD1-CD1 4.34Å; I21-F237 HydrophobicContact CD1-CE1 3.75Å; I21-F237 HydrophobicContact CD1-CZ 4.12Å; I21-F237 HydrophobicContact CG2-CD1 4.14Å; I21-F237 HydrophobicContact CG2-CD2 3.66Å; I21-F237 HydrophobicContact CG2-CE1 3.98Å; I21-F237 HydrophobicContact CG2-CE2 3.49Å; I21-F237 VanDerWaalsContact CG2-CE2 3.49Å; I21-F237 HydrophobicContact CG2-CG 4.01Å; I21-F237 HydrophobicContact CG2-CZ 3.67Å |
| 22 | V | 95.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -59.1 | -46.4 | 177.5 | 169.4 | 0 | 0 | 0 | 0 | 111.6 | L18 M19 A24 I25 Q26 V86 F164 Y234 F237 L241 | L18-V22 WeakPolarHBondContact O-CG2 3.41Å; L18-V22 PolarHBondContact O-N 2.86Å; M19-V22 HydrophobicContact CE-CB 4.2Å; M19-V22 HydrophobicContact CE-CG1 4.16Å; M19-V22 PolarHBondContact O-N 2.82Å; V22-A24 VanDerWaalsContact C-N 3.32Å; V22-A24 PolarHBondContact O-N 3.18Å; V22-I25 PolarHBondContact O-N 2.89Å; V22-Q26 PolarHBondContact O-N 3.48Å; V22-V86 HydrophobicContact CG1-CG2 3.77Å; V22-V86 HydrophobicContact CG2-CG2 4.33Å; V22-F164 HydrophobicContact CG1-CD1 4.5Å; V22-F164 HydrophobicContact CG1-CD2 4.05Å; V22-F164 HydrophobicContact CG1-CE2 4.21Å; V22-F164 HydrophobicContact CG1-CG 4.19Å; V22-F164 HydrophobicContact CG1-CZ 4.46Å; V22-Y234 HydrophobicContact CG1-CE1 4.15Å; V22-F237 HydrophobicContact CG2-CB 4.32Å; V22-L241 HydrophobicContact CG2-CD1 3.95Å |
| 23 | I | 93.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -66.2 | -36.8 | 177.1 | -64.9 | 172.7 | 0 | 0 | 0 | 110.8 | M19 I21 I25 Q26 G27 Y169 L188 M191 Y192 | M19-I23 WeakPolarHBondContact O-CG1 3.33Å; M19-I23 PolarHBondContact O-N 3.11Å; I21-I23 PolarHBondContact O-N 3.44Å; I23-I25 VanDerWaalsContact C-N 3.33Å; I23-I25 PolarHBondContact O-N 3.34Å; I23-Q26 WeakPolarHBondContact O-CB 3.44Å; I23-Q26 PolarHBondContact O-N 2.91Å; I23-G27 PolarHBondContact O-N 2.88Å; I23-Y169 HydrophobicContact CD1-CE2 3.92Å; I23-L188 HydrophobicContact CD1-CB 3.95Å; I23-L188 HydrophobicContact CD1-CD2 3.62Å; I23-L188 HydrophobicContact CD1-CG 4.38Å; I23-M191 HydrophobicContact CB-CB 4.17Å; I23-M191 HydrophobicContact CG2-CB 3.76Å; I23-Y192 HydrophobicContact CG2-CD1 4.31Å; I23-Y192 HydrophobicContact CG2-CD2 3.86Å; I23-Y192 HydrophobicContact CG2-CE1 4.29Å; I23-Y192 HydrophobicContact CG2-CE2 3.82Å; I23-Y192 HydrophobicContact CG2-CG 4.13Å |
| 24 | A | 94.6 | Very high | 93.5 | Very high | 16 Ų | 16 | 17.1 Ų | 17.1 | 13% | 0.132 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -63.3 | -38.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | C20 I21 V22 G27 T28 M191 | C20-A24 VanDerWaalsContact O-CB 3.27Å; C20-A24 WeakPolarHBondContact O-CB 3.08Å; C20-A24 PolarHBondContact O-N 2.89Å; I21-A24 WeakPolarHBondContact O-CB 3.26Å; I21-A24 PolarHBondContact O-N 3.01Å; V22-A24 VanDerWaalsContact C-N 3.32Å; V22-A24 PolarHBondContact O-N 3.18Å; A24-G27 PolarHBondContact O-N 3.24Å; A24-T28 WeakPolarHBondContact O-CB 3.3Å; A24-T28 PolarHBondContact O-N 3.4Å; A24-T28 PolarHBondContact O-OG1 2.98Å; A24-M191 HydrophobicContact CB-CB 4.44Å; A24-M191 HydrophobicContact CB-SD 4.21Å |
| 25 | I | 96.1 | Very high | 93.5 | Very high | 9 Ų | 9 | 14.1 Ų | 14.1 | 5% | 0.046 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -64.7 | -42.7 | 174.1 | -62.9 | 159.5 | 0 | 0 | 0 | 110.4 | I21 V22 I23 T28 Y29 C230 L233 Y234 F237 | I21-I25 HydrophobicContact CG2-CD1 3.99Å; I21-I25 HydrophobicContact CG2-CG1 4.46Å; I21-I25 VanDerWaalsContact O-CG1 3.28Å; I21-I25 WeakPolarHBondContact O-CG1 3.49Å; I21-I25 PolarHBondContact O-N 2.87Å; V22-I25 PolarHBondContact O-N 2.89Å; I23-I25 VanDerWaalsContact C-N 3.33Å; I23-I25 PolarHBondContact O-N 3.34Å; I25-T28 WeakPolarHBondContact O-CB 3.35Å; I25-T28 PolarHBondContact O-N 3.21Å; I25-Y29 WeakPolarHBondContact O-CB 3.39Å; I25-Y29 PolarHBondContact O-N 3.23Å; I25-C230 HydrophobicContact CG2-CB 4.03Å; I25-L233 HydrophobicContact CD1-CB 3.66Å; I25-L233 HydrophobicContact CG1-CB 4.23Å; I25-L233 HydrophobicContact CG1-CD1 4.35Å; I25-Y234 HydrophobicContact CB-CD1 4.39Å; I25-Y234 HydrophobicContact CB-CE1 3.85Å; I25-Y234 HydrophobicContact CD1-CD1 4.31Å; I25-Y234 HydrophobicContact CG2-CD1 4.02Å; I25-Y234 HydrophobicContact CG2-CD2 4.06Å; I25-Y234 HydrophobicContact CG2-CE1 3.63Å; I25-Y234 HydrophobicContact CG2-CE2 3.66Å; I25-Y234 HydrophobicContact CG2-CG 4.23Å; I25-Y234 VanDerWaalsContact CG2-CZ 3.45Å; I25-F237 HydrophobicContact CD1-CD2 3.82Å; I25-F237 HydrophobicContact CD1-CE2 4.33Å |
| 26 | Q | 95.5 | Very high | 93.6 | Very high | 4 Ų | 4 | 14 Ų | 14 | 2% | 0.019 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -58.4 | -49.2 | 174.4 | 179.2 | -161.6 | -6 | 0 | 0 | 111.3 | V22 I23 T28 Y29 L30 Y58 F164 N165 Y234 | V22-Q26 PolarHBondContact O-N 3.48Å; I23-Q26 WeakPolarHBondContact O-CB 3.44Å; I23-Q26 PolarHBondContact O-N 2.91Å; Q26-T28 VanDerWaalsContact C-N 3.32Å; Q26-T28 PolarHBondContact O-N 3.39Å; Q26-Y29 WeakPolarHBondContact O-CB 3.45Å; Q26-Y29 PolarHBondContact O-N 3.49Å; Q26-L30 HydrophobicContact CG-CD1 4.47Å; Q26-L30 WeakPolarHBondContact O-CG 3.4Å; Q26-L30 PolarHBondContact O-N 3.5Å; Q26-Y58 PolarHBondContact NE2-OH 2.89Å; Q26-F164 HydrophobicContact CB-CE2 4.29Å; Q26-F164 HydrophobicContact CG-CE2 4.36Å; Q26-N165 PolarHBondContact NE2-ND2 3.01Å; Q26-N165 PolarHBondContact OE1-ND2 3.23Å; Q26-N165 PolarHBondContact OE1-OD1 2.87Å; Q26-Y234 WeakPolarHBondContact CA-OH 3.38Å; Q26-Y234 WeakPolarHBondContact CB-OH 3.21Å; Q26-Y234 PolarHBondContact N-OH 2.75Å; Q26-Y234 VanDerWaalsContact N-OH 3.17Å |
| 27 | G | 93.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -62.3 | -39.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | I23 A24 Y29 L30 G31 G195 P196 | I23-G27 PolarHBondContact O-N 2.88Å; A24-G27 PolarHBondContact O-N 3.24Å; G27-Y29 VanDerWaalsContact C-N 3.33Å; G27-Y29 PolarHBondContact O-N 3.12Å; G27-L30 PolarHBondContact O-N 3.49Å; G27-G31 PolarHBondContact O-N 3.11Å; G27-G195 CarbonylContact C-O 3.54Å; G27-G195 CarbonylContact O-C 3.55Å; G27-P196 WeakPolarHBondContact O-CA 3.45Å |
| 28 | T | 95.2 | Very high | 93.4 | Very high | 19 Ų | 19 | 9.9 Ų | 9.9 | 12% | 0.117 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -58.4 | -46.9 | 175.4 | -58.9 | 0 | 0 | 0 | 0 | 110.6 | A24 I25 Q26 L30 G31 Y32 G195 F198 G199 L202 | A24-T28 WeakPolarHBondContact O-CB 3.3Å; A24-T28 PolarHBondContact O-N 3.4Å; A24-T28 PolarHBondContact O-OG1 2.98Å; I25-T28 WeakPolarHBondContact O-CB 3.35Å; I25-T28 PolarHBondContact O-N 3.21Å; Q26-T28 VanDerWaalsContact C-N 3.32Å; Q26-T28 PolarHBondContact O-N 3.39Å; T28-L30 PolarHBondContact O-N 2.92Å; T28-G31 PolarHBondContact O-N 3.23Å; T28-Y32 WeakPolarHBondContact O-CB 3.21Å; T28-Y32 PolarHBondContact O-N 3.05Å; T28-G195 WeakPolarHBondContact CA-O 3.24Å; T28-G195 VanDerWaalsContact N-C 3.34Å; T28-G195 PolarHBondContact N-O 2.92Å; T28-G195 PolarHBondContact OG1-O 3.35Å; T28-F198 HydrophobicContact CG2-CB 4.16Å; T28-F198 WeakPolarHBondContact OG1-CB 3.32Å; T28-G199 WeakPolarHBondContact O-CA 3.48Å; T28-L202 HydrophobicContact CG2-CD2 4.2Å |
| 29 | Y | 95.5 | Very high | 93.1 | Very high | 2 Ų | 2 | 9.8 Ų | 9.8 | 1% | 0.008 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -58 | -47.6 | 175 | 151.7 | -107 | 0 | 0 | 0 | 112.2 | I25 Q26 G27 G31 Y32 I33 Y58 M93 L96 Q154 A157 F227 | I25-Y29 WeakPolarHBondContact O-CB 3.39Å; I25-Y29 PolarHBondContact O-N 3.23Å; Q26-Y29 WeakPolarHBondContact O-CB 3.45Å; Q26-Y29 PolarHBondContact O-N 3.49Å; G27-Y29 VanDerWaalsContact C-N 3.33Å; G27-Y29 PolarHBondContact O-N 3.12Å; Y29-G31 PolarHBondContact O-N 2.67Å; Y29-Y32 PolarHBondContact O-N 3.27Å; Y29-Y32 VanDerWaalsContact O-N 3.17Å; Y29-I33 HydrophobicContact CE2-CB 4.38Å; Y29-I33 HydrophobicContact CE2-CG2 4.43Å; Y29-I33 PolarHBondContact O-N 3.06Å; Y29-Y58 AromaticContact CE1-CD2 3.93Å; Y29-Y58 HydrophobicContact CE1-CD2 3.93Å; Y29-Y58 AromaticContact CE1-CE2 3.95Å; Y29-Y58 HydrophobicContact CE1-CE2 3.95Å; Y29-M93 HydrophobicContact CD1-CE 4.15Å; Y29-M93 HydrophobicContact CD2-CE 3.69Å; Y29-M93 HydrophobicContact CD2-SD 3.34Å; Y29-M93 WeakPolarHBondContact CD2-SD 3.36Å; Y29-M93 HydrophobicContact CE1-CE 4.08Å; Y29-M93 HydrophobicContact CE2-CE 3.6Å; Y29-M93 HydrophobicContact CE2-SD 3.79Å; Y29-M93 HydrophobicContact CG-CE 3.95Å; Y29-M93 HydrophobicContact CG-SD 3.73Å; Y29-L96 HydrophobicContact CD2-CD1 4.44Å; Y29-L96 HydrophobicContact CE2-CD1 3.53Å; Y29-Q154 PolarHBondContact OH-NE2 2.94Å; Y29-Q154 PolarHBondContact OH-OE1 3.06Å; Y29-A157 HydrophobicContact CE1-CB 4.34Å; Y29-F227 HydrophobicContact CD2-CD1 4.15Å; Y29-F227 HydrophobicContact CD2-CE1 4.03Å; Y29-F227 HydrophobicContact CE2-CD1 4.4Å; Y29-F227 HydrophobicContact CE2-CE1 4.04Å |
| 30 | L | 93.5 | Very high | 92.8 | Very high | 47 Ų | 47 | 9.8 Ų | 9.8 | 25% | 0.246 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -62.9 | -39.5 | -179.4 | -69 | 173.9 | 0 | 0 | 0 | 112.4 | Q26 G27 T28 I33 V34 Y58 | Q26-L30 HydrophobicContact CG-CD1 4.47Å; Q26-L30 WeakPolarHBondContact O-CG 3.4Å; Q26-L30 PolarHBondContact O-N 3.5Å; G27-L30 PolarHBondContact O-N 3.49Å; T28-L30 PolarHBondContact O-N 2.92Å; L30-I33 WeakPolarHBondContact O-CG2 3.4Å; L30-V34 WeakPolarHBondContact O-CG2 3.49Å; L30-Y58 HydrophobicContact CD1-CE1 4.07Å; L30-Y58 HydrophobicContact CD2-CD1 3.73Å; L30-Y58 HydrophobicContact CD2-CD2 4.31Å; L30-Y58 HydrophobicContact CD2-CE1 3.64Å; L30-Y58 HydrophobicContact CD2-CE2 4.22Å; L30-Y58 HydrophobicContact CD2-CG 4.08Å; L30-Y58 HydrophobicContact CG-CE1 4.43Å |
| 31 | G | 92.2 | Very high | 92.5 | Very high | 2 Ų | 2 | 9.3 Ų | 9.3 | 2% | 0.021 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -70.3 | -38.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | G27 T28 Y29 V34 G35 | G27-G31 PolarHBondContact O-N 3.11Å; T28-G31 PolarHBondContact O-N 3.23Å; Y29-G31 PolarHBondContact O-N 2.67Å; G31-V34 PolarHBondContact O-N 3.32Å; G31-G35 PolarHBondContact O-N 3.45Å |
| 32 | Y | 94.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -66.3 | -44.7 | -177.5 | 179.9 | -100.8 | 0 | 0 | 0 | 112.2 | T28 Y29 V34 G35 V36 L202 V206 W223 G226 F227 | T28-Y32 WeakPolarHBondContact O-CB 3.21Å; T28-Y32 PolarHBondContact O-N 3.05Å; Y29-Y32 PolarHBondContact O-N 3.27Å; Y29-Y32 VanDerWaalsContact O-N 3.17Å; Y32-V34 VanDerWaalsContact C-N 3.26Å; Y32-V34 PolarHBondContact O-N 3.27Å; Y32-G35 PolarHBondContact O-N 3.37Å; Y32-G35 VanDerWaalsContact O-N 3.17Å; Y32-V36 HydrophobicContact CD1-CG2 4.21Å; Y32-V36 HydrophobicContact CD2-CG1 4.28Å; Y32-V36 HydrophobicContact CE1-CG1 4Å; Y32-V36 HydrophobicContact CE1-CG2 3.96Å; Y32-V36 HydrophobicContact CE2-CG1 3.75Å; Y32-V36 VanDerWaalsContact O-CG2 3.25Å; Y32-V36 WeakPolarHBondContact O-CG2 3.39Å; Y32-V36 PolarHBondContact O-N 3.16Å; Y32-L202 HydrophobicContact CD2-CB 3.99Å; Y32-L202 HydrophobicContact CD2-CD2 3.98Å; Y32-L202 HydrophobicContact CD2-CG 3.83Å; Y32-L202 HydrophobicContact CE2-CB 4.45Å; Y32-L202 HydrophobicContact CE2-CD2 4.28Å; Y32-L202 HydrophobicContact CE2-CG 3.93Å; Y32-L202 HydrophobicContact CG-CD2 4.49Å; Y32-V206 HydrophobicContact CE2-CB 4.45Å; Y32-V206 HydrophobicContact CE2-CG2 4.41Å; Y32-W223 VanDerWaalsContact CE1-O 3.22Å; Y32-W223 WeakPolarHBondContact CE1-O 3.46Å; Y32-W223 VanDerWaalsContact CZ-O 3.31Å; Y32-W223 WeakPolarHBondContact OH-CA 3.36Å; Y32-W223 PolarHBondContact OH-O 3.38Å; Y32-G226 VanDerWaalsContact CZ-CA 3.41Å; Y32-G226 WeakPolarHBondContact OH-CA 3.46Å; Y32-G226 PolarHBondContact OH-N 3.29Å; Y32-F227 AromaticContact CD1-CD1 3.9Å; Y32-F227 HydrophobicContact CD1-CD1 3.9Å; Y32-F227 AromaticContact CD1-CE1 3.6Å; Y32-F227 HydrophobicContact CD1-CE1 3.6Å; Y32-F227 AromaticContact CD1-CZ 4Å; Y32-F227 HydrophobicContact CD1-CZ 4Å; Y32-F227 HydrophobicContact CE1-CD1 4Å; Y32-F227 HydrophobicContact CE1-CD2 4.26Å; Y32-F227 AromaticContact CE1-CE1 3.87Å; Y32-F227 HydrophobicContact CE1-CE1 3.87Å; Y32-F227 HydrophobicContact CE1-CE2 4.14Å; Y32-F227 HydrophobicContact CE1-CG 4.18Å; Y32-F227 AromaticContact CE1-CZ 3.92Å; Y32-F227 HydrophobicContact CE1-CZ 3.92Å |
| 33 | I | 94.6 | Very high | 91 | Very high | 2 Ų | 2 | 11.1 Ų | 11.1 | 1% | 0.01 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -63.5 | -34.8 | 178.7 | -171.3 | 165 | 0 | 0 | 0 | 112.3 | Y29 L30 L37 I40 L55 F227 | Y29-I33 HydrophobicContact CE2-CB 4.38Å; Y29-I33 HydrophobicContact CE2-CG2 4.43Å; Y29-I33 PolarHBondContact O-N 3.06Å; L30-I33 WeakPolarHBondContact O-CG2 3.4Å; I33-L37 WeakPolarHBondContact O-CA 3.43Å; I33-L37 WeakPolarHBondContact O-CB 3.34Å; I33-L37 PolarHBondContact O-N 3.35Å; I33-I40 HydrophobicContact CG1-CD1 4.4Å; I33-L55 HydrophobicContact CB-CD2 4.35Å; I33-L55 HydrophobicContact CD1-CD2 3.82Å; I33-L55 HydrophobicContact CG1-CD2 3.82Å; I33-L55 HydrophobicContact CG2-CD2 3.65Å; I33-F227 HydrophobicContact CB-CE1 4.21Å; I33-F227 HydrophobicContact CB-CZ 4.31Å; I33-F227 HydrophobicContact CD1-CZ 4.49Å; I33-F227 HydrophobicContact CG1-CZ 4.26Å |
| 34 | V | 92.6 | Very high | 90.5 | Very high | 20 Ų | 20 | 11.4 Ų | 11.4 | 12% | 0.121 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -67.4 | -44 | 174.2 | 173.7 | 0 | 0 | 0 | 0 | 110.6 | L30 G31 Y32 L37 L55 F200 T309 P312 | L30-V34 WeakPolarHBondContact O-CG2 3.49Å; G31-V34 PolarHBondContact O-N 3.32Å; Y32-V34 VanDerWaalsContact C-N 3.26Å; Y32-V34 PolarHBondContact O-N 3.27Å; V34-L37 WeakPolarHBondContact O-CB 3.45Å; V34-L37 PolarHBondContact O-N 2.89Å; V34-L55 HydrophobicContact CG2-CD1 4.39Å; V34-F200 HydrophobicContact CB-CZ 4.11Å; V34-F200 HydrophobicContact CG1-CE1 4.11Å; V34-F200 HydrophobicContact CG1-CZ 3.62Å; V34-T309 WeakPolarHBondContact CG1-O 3.21Å; V34-T309 HydrophobicContact CG2-CG2 4.47Å; V34-P312 HydrophobicContact CG1-CG 4.45Å |
| 35 | G | 90.5 | Very high | 89.8 | Confident | 1 Ų | 1 | 12.8 Ų | 12.8 | 1% | 0.01 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -63 | -42.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | G31 Y32 L37 S203 D327 | G31-G35 PolarHBondContact O-N 3.45Å; Y32-G35 PolarHBondContact O-N 3.37Å; Y32-G35 VanDerWaalsContact O-N 3.17Å; G35-L37 VanDerWaalsContact C-N 3.28Å; G35-L37 PolarHBondContact O-N 2.92Å; G35-S203 WeakPolarHBondContact CA-OG 3.45Å; G35-D327 VanDerWaalsContact CA-OD1 3.3Å; G35-D327 WeakPolarHBondContact CA-OD1 3.49Å; G35-D327 WeakPolarHBondContact CA-OD2 3.1Å |
| 36 | V | 91.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 6% | 0.063 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | 4.6 | 178.1 | -58.6 | 0 | 0 | 0 | 0 | 114 | Y32 T38 S39 I40 S203 W223 F227 | Y32-V36 HydrophobicContact CD1-CG2 4.21Å; Y32-V36 HydrophobicContact CD2-CG1 4.28Å; Y32-V36 HydrophobicContact CE1-CG1 4Å; Y32-V36 HydrophobicContact CE1-CG2 3.96Å; Y32-V36 HydrophobicContact CE2-CG1 3.75Å; Y32-V36 VanDerWaalsContact O-CG2 3.25Å; Y32-V36 WeakPolarHBondContact O-CG2 3.39Å; Y32-V36 PolarHBondContact O-N 3.16Å; V36-T38 VanDerWaalsContact C-N 3.33Å; V36-T38 PolarHBondContact O-N 3.5Å; V36-S39 WeakPolarHBondContact O-CA 3.32Å; V36-S39 VanDerWaalsContact O-CB 3.32Å; V36-S39 WeakPolarHBondContact O-CB 3.46Å; V36-S39 PolarHBondContact O-N 2.8Å; V36-I40 HydrophobicContact CG2-CD1 3.79Å; V36-I40 HydrophobicContact CG2-CG1 4.43Å; V36-I40 PolarHBondContact O-N 3.1Å; V36-S203 WeakPolarHBondContact CG1-OG 3.34Å; V36-S203 PolarHBondContact N-OG 3.39Å; V36-W223 HydrophobicContact CB-CB 3.99Å; V36-W223 HydrophobicContact CG1-CB 4.18Å; V36-W223 HydrophobicContact CG2-CB 4.42Å; V36-F227 HydrophobicContact CG2-CZ 4.11Å |
| 37 | L | 91 | Very high | 88.9 | Confident | 3 Ų | 3 | 12.7 Ų | 12.7 | 2% | 0.016 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -58.3 | -44.4 | -173.7 | -168.1 | 67.4 | 0 | 0 | 0 | 111.6 | I33 V34 G35 S39 I40 E41 L55 T309 Y310 | I33-L37 WeakPolarHBondContact O-CA 3.43Å; I33-L37 WeakPolarHBondContact O-CB 3.34Å; I33-L37 PolarHBondContact O-N 3.35Å; V34-L37 WeakPolarHBondContact O-CB 3.45Å; V34-L37 PolarHBondContact O-N 2.89Å; G35-L37 VanDerWaalsContact C-N 3.28Å; G35-L37 PolarHBondContact O-N 2.92Å; L37-S39 VanDerWaalsContact C-N 3.27Å; L37-S39 PolarHBondContact O-N 2.77Å; L37-I40 PolarHBondContact O-N 3.33Å; L37-I40 VanDerWaalsContact O-N 3.16Å; L37-E41 WeakPolarHBondContact O-CG 3.35Å; L37-E41 PolarHBondContact O-N 3.49Å; L37-L55 HydrophobicContact CD1-CD1 4.14Å; L37-L55 HydrophobicContact CD1-CG 4.35Å; L37-L55 HydrophobicContact CD2-CD1 3.99Å; L37-T309 HydrophobicContact CD2-CG2 3.99Å; L37-Y310 HydrophobicContact CD2-CD1 4.26Å; L37-Y310 HydrophobicContact CD2-CE1 3.91Å |
| 38 | T | 87 | Confident | 88.7 | Confident | 6 Ų | 6 | 12.7 Ų | 12.7 | 4% | 0.037 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -66.5 | -31.2 | 179.1 | 64.3 | 0 | 0 | 0 | 0 | 112 | V36 K42 K313 E316 | V36-T38 VanDerWaalsContact C-N 3.33Å; V36-T38 PolarHBondContact O-N 3.5Å; T38-K42 WeakPolarHBondContact O-CB 3.21Å; T38-K42 WeakPolarHBondContact O-CG 3.39Å; T38-K42 PolarHBondContact O-N 2.98Å; T38-K313 HydrophobicContact CG2-CB 3.61Å; T38-K313 HydrophobicContact CG2-CD 4.33Å; T38-K313 HydrophobicContact CG2-CG 3.9Å; T38-E316 VanDerWaalsContact CB-OE2 3.31Å; T38-E316 WeakPolarHBondContact CB-OE2 3.14Å; T38-E316 WeakPolarHBondContact CG2-OE2 3.41Å; T38-E316 PolarHBondContact OG1-OE2 3.02Å |
| 39 | S | 86.2 | Confident | 88.4 | Confident | 10 Ų | 10 | 13 Ų | 13 | 7% | 0.07 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -67.9 | -41.1 | 173.2 | -67.3 | 0 | 0 | 0 | 0 | 111.7 | V36 L37 R43 | V36-S39 WeakPolarHBondContact O-CA 3.32Å; V36-S39 VanDerWaalsContact O-CB 3.32Å; V36-S39 WeakPolarHBondContact O-CB 3.46Å; V36-S39 PolarHBondContact O-N 2.8Å; L37-S39 VanDerWaalsContact C-N 3.27Å; L37-S39 PolarHBondContact O-N 2.77Å; S39-R43 WeakPolarHBondContact O-CB 3.31Å; S39-R43 PolarHBondContact O-N 3.09Å |
| 40 | I | 88.4 | Confident | 88.1 | Confident | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -65.9 | -44.3 | 175.9 | -66.8 | 163.8 | 0 | 0 | 0 | 110.5 | I33 V36 L37 R43 F44 I46 M150 W223 F227 | I33-I40 HydrophobicContact CG1-CD1 4.4Å; V36-I40 HydrophobicContact CG2-CD1 3.79Å; V36-I40 HydrophobicContact CG2-CG1 4.43Å; V36-I40 PolarHBondContact O-N 3.1Å; L37-I40 PolarHBondContact O-N 3.33Å; L37-I40 VanDerWaalsContact O-N 3.16Å; I40-R43 PolarHBondContact O-N 3.44Å; I40-F44 HydrophobicContact CG2-CD2 4Å; I40-F44 PolarHBondContact O-N 3.19Å; I40-I46 HydrophobicContact CG2-CD1 3.93Å; I40-M150 HydrophobicContact CD1-CE 3.76Å; I40-M150 HydrophobicContact CG1-CE 4.11Å; I40-M150 HydrophobicContact CG2-CE 3.69Å; I40-M150 HydrophobicContact CG2-SD 4.04Å; I40-W223 HydrophobicContact CD1-CE3 4.39Å; I40-W223 HydrophobicContact CG1-CD2 4.3Å; I40-W223 HydrophobicContact CG1-CE3 3.95Å; I40-W223 HydrophobicContact CG1-CZ3 4.47Å; I40-F227 HydrophobicContact CD1-CZ 4.49Å |
| 41 | E | 85.6 | Confident | 88.1 | Confident | 2 Ų | 2 | 13.7 Ų | 13.7 | 1% | 0.009 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -57.7 | -50.2 | 175.3 | -72.7 | 176.9 | 167.4 | 0 | 0 | 111.7 | L37 R43 E45 I46 S51 K313 | L37-E41 WeakPolarHBondContact O-CG 3.35Å; L37-E41 PolarHBondContact O-N 3.49Å; E41-R43 VanDerWaalsContact C-N 3.29Å; E41-R43 PolarHBondContact O-N 2.93Å; E41-E45 WeakPolarHBondContact O-CA 3.15Å; E41-E45 PolarHBondContact O-N 2.98Å; E41-I46 HydrophobicContact CB-CG1 4.31Å; E41-I46 HydrophobicContact CG-CD1 4.4Å; E41-I46 HydrophobicContact CG-CG1 4.02Å; E41-I46 PolarHBondContact O-N 2.81Å; E41-S51 VanDerWaalsContact OE1-CB 3.24Å; E41-S51 WeakPolarHBondContact OE1-CB 3.31Å; E41-S51 PolarHBondContact OE1-OG 3.25Å; E41-K313 VanDerWaalsContact CD-NZ 3.34Å; E41-K313 IonicContact OE1-NZ 3.69Å; E41-K313 PolarHBondContact OE1-NZ 3.37Å; E41-K313 WeakPolarHBondContact OE2-CE 3.39Å; E41-K313 IonicContact OE2-NZ 3.56Å; E41-K313 PolarHBondContact OE2-NZ 3.37Å |
| 42 | K | 80.5 | Confident | 88.1 | Confident | 66 Ų | 66 | 13.6 Ų | 13.6 | 29% | 0.287 | 7% | 0.069 | S | C | . | . | H | α-helix | trans | -64.6 | -33.3 | 176.5 | -70.6 | 174.2 | -173.5 | -176.3 | 0 | 112.6 | T38 E316 | T38-K42 WeakPolarHBondContact O-CB 3.21Å; T38-K42 WeakPolarHBondContact O-CG 3.39Å; T38-K42 PolarHBondContact O-N 2.98Å; K42-E316 IonicContact NZ-OE1 2.59Å; K42-E316 PolarHBondContact NZ-OE1 2.88Å |
| 43 | R | 79.1 | Confident | 88 | Confident | 25 Ų | 25 | 15.4 Ų | 15.4 | 9% | 0.094 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -72.4 | -51.1 | -177.2 | 172.3 | 63.7 | -165.4 | 166.6 | 12.1 | 113 | S39 I40 E41 G104 P105 T106 I220 W223 | S39-R43 WeakPolarHBondContact O-CB 3.31Å; S39-R43 PolarHBondContact O-N 3.09Å; I40-R43 PolarHBondContact O-N 3.44Å; E41-R43 VanDerWaalsContact C-N 3.29Å; E41-R43 PolarHBondContact O-N 2.93Å; R43-G104 PolarHBondContact NH2-O 3.46Å; R43-P105 PolarHBondContact NH2-O 2.84Å; R43-P105 VanDerWaalsContact NH2-O 3.1Å; R43-T106 VanDerWaalsContact CZ-N 3.33Å; R43-T106 VanDerWaalsContact NH2-N 3.16Å; R43-I220 HydrophobicContact CB-CD1 3.86Å; R43-I220 HydrophobicContact CB-CG1 4.49Å; R43-I220 HydrophobicContact CB-CG2 4.17Å; R43-I220 HydrophobicContact CG-CD1 4.45Å; R43-W223 HydrophobicContact CG-CZ2 4.35Å |
| 44 | F | 82.8 | Confident | 88 | Confident | 6 Ų | 6 | 15.3 Ų | 15.3 | 3% | 0.026 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -103.1 | 2.3 | -173.2 | -62.7 | -65.1 | 0 | 0 | 0 | 112.7 | I40 I46 P99 H143 A146 M150 W223 | I40-F44 HydrophobicContact CG2-CD2 4Å; I40-F44 PolarHBondContact O-N 3.19Å; F44-I46 VanDerWaalsContact C-N 3.26Å; F44-I46 HydrophobicContact CB-CG2 4.18Å; F44-I46 PolarHBondContact O-N 2.8Å; F44-P99 HydrophobicContact CE1-CB 4.07Å; F44-P99 HydrophobicContact CE2-CB 4.27Å; F44-P99 HydrophobicContact CZ-CB 3.52Å; F44-H143 PolarHBondContact O-ND1 3.34Å; F44-A146 HydrophobicContact CD1-CB 3.38Å; F44-A146 HydrophobicContact CE1-CB 3.38Å; F44-A146 HydrophobicContact CG-CB 4.07Å; F44-A146 HydrophobicContact CZ-CB 4.06Å; F44-M150 HydrophobicContact CD2-SD 4Å; F44-M150 HydrophobicContact CE2-SD 3.86Å; F44-W223 AromaticContact CE2-CH2 3.62Å; F44-W223 HydrophobicContact CE2-CH2 3.62Å; F44-W223 AromaticContact CE2-CZ2 3.58Å; F44-W223 HydrophobicContact CE2-CZ2 3.58Å; F44-W223 HydrophobicContact CE2-CZ3 4.45Å; F44-W223 AromaticContact CZ-CH2 3.83Å; F44-W223 HydrophobicContact CZ-CH2 3.83Å; F44-W223 AromaticContact CZ-CZ2 3.63Å; F44-W223 HydrophobicContact CZ-CZ2 3.63Å |
| 45 | E | 79 | Confident | 88.1 | Confident | 44 Ų | 44 | 15.2 Ų | 15.2 | 21% | 0.206 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 41.2 | 176.4 | -57.8 | 173.1 | -159.8 | 0 | 0 | 111.9 | E41 H143 Y531 P533 G538 N539 | E41-E45 WeakPolarHBondContact O-CA 3.15Å; E41-E45 PolarHBondContact O-N 2.98Å; E45-H143 IonicContact OE1-CE1 2.69Å; E45-Y531 HydrophobicContact CG-CD1 4.13Å; E45-Y531 HydrophobicContact CG-CE1 4.47Å; E45-Y531 WeakPolarHBondContact OE1-CE1 3.5Å; E45-Y531 WeakPolarHBondContact OE2-CD1 3.26Å; E45-Y531 WeakPolarHBondContact OE2-CE1 3.31Å; E45-P533 WeakPolarHBondContact OE2-CD 3.1Å; E45-P533 WeakPolarHBondContact OE2-CG 3.39Å; E45-G538 CarbonylContact O-C 3.25Å; E45-G538 VanDerWaalsContact O-C 3.23Å; E45-G538 WeakPolarHBondContact O-CA 3.45Å; E45-N539 PolarHBondContact O-N 2.79Å |
| 46 | I | 85 | Confident | 88.3 | Confident | 7 Ų | 7 | 15.1 Ų | 15.1 | 4% | 0.036 | 8% | 0.077 | C | C | . | . | trans | -90.8 | 144.9 | 177.1 | 59 | 168.7 | 0 | 0 | 0 | 110.1 | I40 E41 F44 M50 Y147 | I40-I46 HydrophobicContact CG2-CD1 3.93Å; E41-I46 HydrophobicContact CB-CG1 4.31Å; E41-I46 HydrophobicContact CG-CD1 4.4Å; E41-I46 HydrophobicContact CG-CG1 4.02Å; E41-I46 PolarHBondContact O-N 2.81Å; F44-I46 VanDerWaalsContact C-N 3.26Å; F44-I46 HydrophobicContact CB-CG2 4.18Å; F44-I46 PolarHBondContact O-N 2.8Å; I46-M50 HydrophobicContact CB-CB 4.14Å; I46-M50 HydrophobicContact CB-CE 4.43Å; I46-M50 HydrophobicContact CB-SD 4.43Å; I46-M50 HydrophobicContact CG2-CE 3.99Å; I46-Y147 HydrophobicContact CD1-CD2 4.47Å; I46-Y147 HydrophobicContact CG2-CD2 3.96Å; I46-Y147 HydrophobicContact CG2-CG 4.46Å | ||
| 47 | S | 87.8 | Confident | 88.5 | Confident | 5 Ų | 5 | 17 Ų | 17 | 4% | 0.035 | 9% | 0.087 | C | C | . | . | trans | -70.5 | 165.1 | 175.2 | 69.5 | 0 | 0 | 0 | 0 | 111.8 | S49 M50 S51 G538 | S47-S49 VanDerWaalsContact C-N 3.29Å; S47-S49 PolarHBondContact O-N 3.24Å; S47-S49 PolarHBondContact OG-OG 3.48Å; S47-M50 PolarHBondContact O-N 2.94Å; S47-M50 WeakPolarHBondContact OG-CG 3.49Å; S47-M50 PolarHBondContact OG-N 3.28Å; S47-M50 VanDerWaalsContact OG-N 3.16Å; S47-S51 PolarHBondContact O-N 3.37Å; S47-G538 VanDerWaalsContact CA-O 3.32Å; S47-G538 WeakPolarHBondContact CA-O 3.49Å; S47-G538 PolarHBondContact N-O 3.49Å | ||
| 48 | S | 90 | Very high | 88.7 | Confident | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -65.2 | -36.2 | 176.9 | -34.6 | 0 | 0 | 0 | 0 | 111.1 | M50 S51 G52 Y310 K313 D524 | S48-M50 VanDerWaalsContact C-N 3.35Å; S48-M50 PolarHBondContact O-N 3.28Å; S48-S51 WeakPolarHBondContact CA-OG 3.42Å; S48-S51 PolarHBondContact O-N 2.92Å; S48-S51 PolarHBondContact O-OG 3.48Å; S48-G52 PolarHBondContact O-N 2.94Å; S48-Y310 PolarHBondContact O-OH 3.47Å; S48-K313 PolarHBondContact OG-NZ 3.22Å; S48-D524 WeakPolarHBondContact CB-OD1 3.35Å; S48-D524 PolarHBondContact N-OD1 3.36Å; S48-D524 PolarHBondContact N-OD2 2.89Å; S48-D524 PolarHBondContact OG-OD1 3.08Å |
| 49 | S | 88.1 | Confident | 88.9 | Confident | 24 Ų | 24 | 18.5 Ų | 18.5 | 17% | 0.168 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -62.9 | -37.7 | 174 | 44.6 | 0 | 0 | 0 | 0 | 113.3 | S47 G52 T53 D524 | S47-S49 VanDerWaalsContact C-N 3.29Å; S47-S49 PolarHBondContact O-N 3.24Å; S47-S49 PolarHBondContact OG-OG 3.48Å; S49-G52 PolarHBondContact O-N 3.14Å; S49-T53 PolarHBondContact O-N 2.65Å; S49-T53 PolarHBondContact O-OG1 3.16Å; S49-D524 WeakPolarHBondContact CB-OD2 3.5Å; S49-D524 PolarHBondContact N-OD2 2.77Å; S49-D524 PolarHBondContact OG-OD2 3.41Å |
| 50 | M | 90.8 | Very high | 89.3 | Confident | 64 Ų | 64 | 20.8 Ų | 20.8 | 32% | 0.315 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -68.3 | -41.3 | 172.9 | -73.5 | 179.2 | 71.5 | 0 | 0 | 111.7 | I46 S47 S48 G52 T53 L54 Y147 | I46-M50 HydrophobicContact CB-CB 4.14Å; I46-M50 HydrophobicContact CB-CE 4.43Å; I46-M50 HydrophobicContact CB-SD 4.43Å; I46-M50 HydrophobicContact CG2-CE 3.99Å; S47-M50 PolarHBondContact O-N 2.94Å; S47-M50 WeakPolarHBondContact OG-CG 3.49Å; S47-M50 PolarHBondContact OG-N 3.28Å; S47-M50 VanDerWaalsContact OG-N 3.16Å; S48-M50 VanDerWaalsContact C-N 3.35Å; S48-M50 PolarHBondContact O-N 3.28Å; M50-G52 VanDerWaalsContact C-N 3.29Å; M50-G52 PolarHBondContact O-N 3.34Å; M50-T53 WeakPolarHBondContact O-CB 3.42Å; M50-T53 PolarHBondContact O-N 3.29Å; M50-L54 PolarHBondContact O-N 3.23Å; M50-Y147 HydrophobicContact CB-CE2 4.03Å; M50-Y147 HydrophobicContact CE-CD1 3.64Å; M50-Y147 HydrophobicContact CE-CD2 3.92Å; M50-Y147 HydrophobicContact CE-CE1 3.56Å; M50-Y147 HydrophobicContact CE-CE2 3.85Å; M50-Y147 HydrophobicContact CE-CG 3.81Å; M50-Y147 PolarHBondContact O-OH 3.5Å |
| 51 | S | 91.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -64.7 | -34.7 | 176 | 78 | 0 | 0 | 0 | 0 | 112 | E41 S47 S48 L54 L55 Y310 | E41-S51 VanDerWaalsContact OE1-CB 3.24Å; E41-S51 WeakPolarHBondContact OE1-CB 3.31Å; E41-S51 PolarHBondContact OE1-OG 3.25Å; S47-S51 PolarHBondContact O-N 3.37Å; S48-S51 WeakPolarHBondContact CA-OG 3.42Å; S48-S51 PolarHBondContact O-N 2.92Å; S48-S51 PolarHBondContact O-OG 3.48Å; S51-L54 WeakPolarHBondContact O-CB 3.38Å; S51-L54 PolarHBondContact O-N 3.28Å; S51-L55 PolarHBondContact O-N 3.07Å; S51-L55 VanDerWaalsContact O-N 3.17Å; S51-Y310 PolarHBondContact OG-OH 3.1Å |
| 52 | G | 92.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -66 | -39.7 | 172 | 0 | 0 | 0 | 0 | 0 | 112.5 | S48 S49 M50 L54 L55 A56 Y310 | S48-G52 PolarHBondContact O-N 2.94Å; S49-G52 PolarHBondContact O-N 3.14Å; M50-G52 VanDerWaalsContact C-N 3.29Å; M50-G52 PolarHBondContact O-N 3.34Å; G52-L54 VanDerWaalsContact C-N 3.33Å; G52-L55 PolarHBondContact O-N 2.9Å; G52-A56 WeakPolarHBondContact O-CB 3.47Å; G52-A56 PolarHBondContact O-N 3.46Å; G52-Y310 WeakPolarHBondContact CA-OH 3.44Å; G52-Y310 PolarHBondContact N-OH 3.42Å |
| 53 | T | 93.7 | Very high | 90.3 | Very high | 39 Ų | 39 | 19.6 Ų | 19.6 | 24% | 0.239 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -64.7 | -39.4 | 174.2 | -56.5 | 0 | 0 | 0 | 0 | 111.3 | S49 M50 L55 A56 M57 I151 | S49-T53 PolarHBondContact O-N 2.65Å; S49-T53 PolarHBondContact O-OG1 3.16Å; M50-T53 WeakPolarHBondContact O-CB 3.42Å; M50-T53 PolarHBondContact O-N 3.29Å; T53-L55 PolarHBondContact O-N 3.42Å; T53-A56 PolarHBondContact O-N 2.88Å; T53-M57 HydrophobicContact CG2-CE 3.82Å; T53-M57 WeakPolarHBondContact O-CG 3.36Å; T53-M57 PolarHBondContact O-N 3.37Å; T53-I151 HydrophobicContact CG2-CD1 4.44Å |
| 54 | L | 94.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -56.1 | -50.9 | 175.3 | 176.6 | 69.5 | 0 | 0 | 0 | 111.5 | M50 S51 G52 A56 M57 Y147 M150 I151 Q154 | M50-L54 PolarHBondContact O-N 3.23Å; S51-L54 WeakPolarHBondContact O-CB 3.38Å; S51-L54 PolarHBondContact O-N 3.28Å; G52-L54 VanDerWaalsContact C-N 3.33Å; L54-A56 PolarHBondContact O-N 3.48Å; L54-M57 WeakPolarHBondContact O-CB 3.47Å; L54-M57 PolarHBondContact O-N 3.04Å; L54-Y147 HydrophobicContact CB-CE2 4.36Å; L54-M150 HydrophobicContact CD1-CB 3.64Å; L54-M150 HydrophobicContact CD2-CE 4.13Å; L54-I151 HydrophobicContact CB-CD1 4.23Å; L54-I151 HydrophobicContact CD1-CD1 4.01Å; L54-I151 HydrophobicContact CD1-CG1 4.07Å; L54-Q154 HydrophobicContact CD1-CB 4.4Å; L54-Q154 HydrophobicContact CD1-CG 3.46Å; L54-Q154 VanDerWaalsContact CD1-CG 3.46Å; L54-Q154 HydrophobicContact CG-CG 3.9Å; L54-Q154 VanDerWaalsContact O-CG 3.3Å; L54-Q154 WeakPolarHBondContact O-CG 3.37Å |
| 55 | L | 94.2 | Very high | 90.9 | Very high | 17 Ų | 17 | 23.8 Ų | 23.8 | 9% | 0.089 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.6 | -40.4 | 178.8 | -65.3 | 173.6 | 0 | 0 | 0 | 112.2 | I33 V34 L37 S51 G52 T53 M57 Y58 T309 | I33-L55 HydrophobicContact CB-CD2 4.35Å; I33-L55 HydrophobicContact CD1-CD2 3.82Å; I33-L55 HydrophobicContact CG1-CD2 3.82Å; I33-L55 HydrophobicContact CG2-CD2 3.65Å; V34-L55 HydrophobicContact CG2-CD1 4.39Å; L37-L55 HydrophobicContact CD1-CD1 4.14Å; L37-L55 HydrophobicContact CD1-CG 4.35Å; L37-L55 HydrophobicContact CD2-CD1 3.99Å; S51-L55 PolarHBondContact O-N 3.07Å; S51-L55 VanDerWaalsContact O-N 3.17Å; G52-L55 PolarHBondContact O-N 2.9Å; T53-L55 PolarHBondContact O-N 3.42Å; L55-M57 PolarHBondContact O-N 3.23Å; L55-Y58 WeakPolarHBondContact O-CB 3.33Å; L55-Y58 PolarHBondContact O-N 3.07Å; L55-T309 HydrophobicContact CD1-CG2 3.23Å |
| 56 | A | 94.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61.4 | -26.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | G52 T53 L54 Y58 D59 I60 I513 I517 | G52-A56 WeakPolarHBondContact O-CB 3.47Å; G52-A56 PolarHBondContact O-N 3.46Å; T53-A56 PolarHBondContact O-N 2.88Å; L54-A56 PolarHBondContact O-N 3.48Å; A56-Y58 VanDerWaalsContact C-N 3.27Å; A56-Y58 PolarHBondContact O-N 3.39Å; A56-D59 PolarHBondContact O-N 2.79Å; A56-I60 VanDerWaalsContact O-CG1 3.28Å; A56-I60 WeakPolarHBondContact O-CG1 3.15Å; A56-I60 PolarHBondContact O-N 3.17Å; A56-I513 HydrophobicContact CB-CG2 4.26Å; A56-I517 HydrophobicContact CB-CD1 4.22Å; A56-I517 HydrophobicContact CB-CG1 4.48Å |
| 57 | M | 95.4 | Very high | 90.7 | Very high | 39 Ų | 39 | 28.8 Ų | 28.8 | 19% | 0.192 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.5 | -31.5 | 178 | -70 | -61.1 | 127.5 | 0 | 0 | 113.2 | T53 L54 L55 I60 G61 I151 Q154 L155 | T53-M57 HydrophobicContact CG2-CE 3.82Å; T53-M57 WeakPolarHBondContact O-CG 3.36Å; T53-M57 PolarHBondContact O-N 3.37Å; L54-M57 WeakPolarHBondContact O-CB 3.47Å; L54-M57 PolarHBondContact O-N 3.04Å; L55-M57 PolarHBondContact O-N 3.23Å; M57-I60 HydrophobicContact CE-CD1 3.51Å; M57-I60 HydrophobicContact SD-CD1 3.99Å; M57-G61 PolarHBondContact O-N 2.94Å; M57-I151 HydrophobicContact CG-CD1 3.63Å; M57-I151 HydrophobicContact CG-CG2 4.09Å; M57-I151 HydrophobicContact SD-CG2 4.5Å; M57-Q154 HydrophobicContact CB-CB 3.77Å; M57-L155 HydrophobicContact CB-CB 4.49Å |
| 58 | Y | 95.5 | Very high | 90.4 | Very high | 10 Ų | 10 | 32.2 Ų | 32.2 | 4% | 0.039 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.1 | -50.5 | 172.2 | 174.4 | -93.9 | 0 | 0 | 0 | 111 | Q26 Y29 L30 L55 A56 I60 G61 H62 Q154 A157 G158 A161 | Q26-Y58 PolarHBondContact NE2-OH 2.89Å; Y29-Y58 AromaticContact CE1-CD2 3.93Å; Y29-Y58 HydrophobicContact CE1-CD2 3.93Å; Y29-Y58 AromaticContact CE1-CE2 3.95Å; Y29-Y58 HydrophobicContact CE1-CE2 3.95Å; L30-Y58 HydrophobicContact CD1-CE1 4.07Å; L30-Y58 HydrophobicContact CD2-CD1 3.73Å; L30-Y58 HydrophobicContact CD2-CD2 4.31Å; L30-Y58 HydrophobicContact CD2-CE1 3.64Å; L30-Y58 HydrophobicContact CD2-CE2 4.22Å; L30-Y58 HydrophobicContact CD2-CG 4.08Å; L30-Y58 HydrophobicContact CG-CE1 4.43Å; L55-Y58 WeakPolarHBondContact O-CB 3.33Å; L55-Y58 PolarHBondContact O-N 3.07Å; A56-Y58 VanDerWaalsContact C-N 3.27Å; A56-Y58 PolarHBondContact O-N 3.39Å; Y58-I60 VanDerWaalsContact C-N 3.34Å; Y58-I60 PolarHBondContact O-N 2.98Å; Y58-G61 PolarHBondContact O-N 3.47Å; Y58-H62 HydrophobicContact CE1-CB 4.5Å; Y58-H62 VanDerWaalsContact O-CB 3.31Å; Y58-H62 WeakPolarHBondContact O-CB 3.4Å; Y58-H62 PolarHBondContact O-N 3.35Å; Y58-Q154 WeakPolarHBondContact CA-O 3.44Å; Y58-A157 HydrophobicContact CD2-CB 3.93Å; Y58-A157 HydrophobicContact CE2-CB 4.24Å; Y58-G158 VanDerWaalsContact O-CA 3.31Å; Y58-G158 WeakPolarHBondContact O-CA 3.26Å; Y58-A161 HydrophobicContact CE2-CB 4.43Å |
| 59 | D | 92.5 | Very high | 89.8 | Confident | 31 Ų | 31 | 32.8 Ų | 32.8 | 17% | 0.166 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.4 | -38.1 | -178.1 | -66.5 | -38.1 | 0 | 0 | 0 | 111.9 | A56 T63 I513 | A56-D59 PolarHBondContact O-N 2.79Å; D59-T63 WeakPolarHBondContact O-CB 3.46Å; D59-T63 PolarHBondContact O-N 3.42Å; D59-T63 PolarHBondContact O-OG1 2.99Å; D59-I513 HydrophobicContact CB-CD1 4.35Å; D59-I513 HydrophobicContact CB-CG1 3.75Å |
| 60 | I | 93.4 | Very high | 88.8 | Confident | 58 Ų | 58 | 33.9 Ų | 33.9 | 30% | 0.297 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -60.3 | -52 | 173.8 | -68.3 | 164.6 | 0 | 0 | 0 | 110.2 | A56 M57 Y58 H62 T63 L64 L155 I513 | A56-I60 VanDerWaalsContact O-CG1 3.28Å; A56-I60 WeakPolarHBondContact O-CG1 3.15Å; A56-I60 PolarHBondContact O-N 3.17Å; M57-I60 HydrophobicContact CE-CD1 3.51Å; M57-I60 HydrophobicContact SD-CD1 3.99Å; Y58-I60 VanDerWaalsContact C-N 3.34Å; Y58-I60 PolarHBondContact O-N 2.98Å; I60-H62 PolarHBondContact O-N 3.27Å; I60-T63 PolarHBondContact O-N 3.1Å; I60-L64 WeakPolarHBondContact O-CB 3.39Å; I60-L64 PolarHBondContact O-N 2.69Å; I60-L64 VanDerWaalsContact O-N 3.11Å; I60-L155 HydrophobicContact CG2-CD1 4.3Å; I60-I513 HydrophobicContact CB-CD1 4.38Å; I60-I513 HydrophobicContact CD1-CG2 4.23Å; I60-I513 HydrophobicContact CG1-CD1 3.48Å; I60-I513 VanDerWaalsContact CG1-CD1 3.48Å; I60-I513 HydrophobicContact CG1-CG1 3.87Å; I60-I513 HydrophobicContact CG1-CG2 4.19Å |
| 61 | G | 93.9 | Very high | 87.7 | Confident | 2 Ų | 2 | 37 Ų | 37 | 2% | 0.021 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61 | -44.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | M57 Y58 S65 | M57-G61 PolarHBondContact O-N 2.94Å; Y58-G61 PolarHBondContact O-N 3.47Å; G61-S65 WeakPolarHBondContact O-CB 3.44Å; G61-S65 PolarHBondContact O-N 2.89Å; G61-S65 VanDerWaalsContact O-N 3.12Å; G61-S65 PolarHBondContact O-OG 3.47Å |
| 62 | H | 93.1 | Very high | 86.7 | Confident | 30 Ų | 30 | 43.4 Ų | 43.4 | 14% | 0.139 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.8 | -50.4 | 179.2 | -179.9 | -103.3 | 0 | 0 | 0 | 111.9 | Y58 I60 L64 S65 V66 G158 N165 | Y58-H62 HydrophobicContact CE1-CB 4.5Å; Y58-H62 VanDerWaalsContact O-CB 3.31Å; Y58-H62 WeakPolarHBondContact O-CB 3.4Å; Y58-H62 PolarHBondContact O-N 3.35Å; I60-H62 PolarHBondContact O-N 3.27Å; H62-L64 PolarHBondContact O-N 2.93Å; H62-S65 PolarHBondContact O-N 3.29Å; H62-V66 WeakPolarHBondContact O-CG2 3.44Å; H62-V66 PolarHBondContact O-N 3.08Å; H62-G158 VanDerWaalsContact CA-O 3.26Å; H62-G158 WeakPolarHBondContact CA-O 3.49Å; H62-N165 PolarHBondContact NE2-ND2 3.06Å |
| 63 | T | 88.1 | Confident | 85.7 | Confident | 11 Ų | 11 | 48.5 Ų | 48.5 | 7% | 0.067 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.8 | -45.4 | -175.8 | -58.9 | 0 | 0 | 0 | 0 | 111.8 | D59 I60 S65 F505 N508 I509 | D59-T63 WeakPolarHBondContact O-CB 3.46Å; D59-T63 PolarHBondContact O-N 3.42Å; D59-T63 PolarHBondContact O-OG1 2.99Å; I60-T63 PolarHBondContact O-N 3.1Å; T63-S65 VanDerWaalsContact C-N 3.31Å; T63-S65 PolarHBondContact O-N 3.09Å; T63-F505 HydrophobicContact CG2-CD2 3.54Å; T63-F505 HydrophobicContact CG2-CE2 3.84Å; T63-F505 HydrophobicContact CG2-CG 4.49Å; T63-N508 HydrophobicContact CG2-CB 4.22Å; T63-N508 VanDerWaalsContact OG1-CB 3.26Å; T63-N508 WeakPolarHBondContact OG1-CB 3.39Å; T63-N508 PolarHBondContact OG1-ND2 3.16Å; T63-I509 HydrophobicContact CG2-CD1 4.49Å; T63-I509 HydrophobicContact CG2-CG1 4.24Å |
| 64 | L | 87.1 | Confident | 84.1 | Confident | 107 Ų | 107 | 48.6 Ų | 48.6 | 56% | 0.56 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -64.2 | -39.7 | 177 | -176.1 | 62.4 | 0 | 0 | 0 | 111.3 | I60 H62 L68 | I60-L64 WeakPolarHBondContact O-CB 3.39Å; I60-L64 PolarHBondContact O-N 2.69Å; I60-L64 VanDerWaalsContact O-N 3.11Å; H62-L64 PolarHBondContact O-N 2.93Å; L64-L68 HydrophobicContact CG-CD1 4.26Å; L64-L68 WeakPolarHBondContact O-CG 3.34Å; L64-L68 PolarHBondContact O-N 3.18Å |
| 65 | S | 88.1 | Confident | 82.8 | Confident | 11 Ų | 11 | 54.2 Ų | 54.2 | 8% | 0.077 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -76.2 | -35.9 | -174.9 | -59.5 | 0 | 0 | 0 | 0 | 113.3 | G61 H62 T63 L67 L68 V69 I159 | G61-S65 WeakPolarHBondContact O-CB 3.44Å; G61-S65 PolarHBondContact O-N 2.89Å; G61-S65 VanDerWaalsContact O-N 3.12Å; G61-S65 PolarHBondContact O-OG 3.47Å; H62-S65 PolarHBondContact O-N 3.29Å; T63-S65 VanDerWaalsContact C-N 3.31Å; T63-S65 PolarHBondContact O-N 3.09Å; S65-L67 VanDerWaalsContact C-N 3.27Å; S65-L67 PolarHBondContact O-N 3.08Å; S65-L68 PolarHBondContact O-N 3.3Å; S65-V69 VanDerWaalsContact O-CB 3.29Å; S65-V69 WeakPolarHBondContact O-CB 3.42Å; S65-V69 WeakPolarHBondContact O-CG2 3.3Å; S65-V69 PolarHBondContact O-N 2.87Å; S65-I159 WeakPolarHBondContact OG-CA 3.5Å; S65-I159 WeakPolarHBondContact OG-CB 3.42Å; S65-I159 VanDerWaalsContact OG-CG1 3.29Å; S65-I159 WeakPolarHBondContact OG-CG1 3.47Å; S65-I159 WeakPolarHBondContact OG-CG2 3.26Å |
| 66 | V | 85 | Confident | 81.8 | Confident | 46 Ų | 46 | 55.9 Ų | 55.9 | 28% | 0.279 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -57 | -44.2 | 175.9 | 160 | 0 | 0 | 0 | 0 | 111 | H62 V69 G70 A162 T166 | H62-V66 WeakPolarHBondContact O-CG2 3.44Å; H62-V66 PolarHBondContact O-N 3.08Å; V66-V69 PolarHBondContact O-N 3.42Å; V66-G70 PolarHBondContact O-N 3.12Å; V66-A162 HydrophobicContact CB-CB 4.44Å; V66-A162 HydrophobicContact CG2-CB 3.7Å; V66-T166 HydrophobicContact CB-CG2 4.2Å; V66-T166 HydrophobicContact CG1-CG2 3.7Å; V66-T166 HydrophobicContact CG2-CG2 3.86Å |
| 67 | L | 75.6 | Confident | 81.2 | Confident | 111 Ų | 111 | 58 Ų | 58 | 58% | 0.581 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -61.7 | -47.1 | 177.5 | -171.9 | 112.2 | 0 | 0 | 0 | 111.5 | S65 Y71 | S65-L67 VanDerWaalsContact C-N 3.27Å; S65-L67 PolarHBondContact O-N 3.08Å; L67-Y71 PolarHBondContact O-N 3.41Å |
| 68 | L | 80.1 | Confident | 80.7 | Confident | 76 Ų | 76 | 57.8 Ų | 57.8 | 40% | 0.398 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -67.8 | -40.5 | 180 | -65 | 172.8 | 0 | 0 | 0 | 112.2 | L64 S65 Y71 F72 | L64-L68 HydrophobicContact CG-CD1 4.26Å; L64-L68 WeakPolarHBondContact O-CG 3.34Å; L64-L68 PolarHBondContact O-N 3.18Å; S65-L68 PolarHBondContact O-N 3.3Å; L68-Y71 PolarHBondContact O-N 3.39Å; L68-F72 HydrophobicContact CB-CD2 4.44Å; L68-F72 HydrophobicContact CD2-CE2 4.08Å; L68-F72 WeakPolarHBondContact O-CD2 3.18Å; L68-F72 PolarHBondContact O-N 3.25Å |
| 69 | V | 77.6 | Confident | 80.3 | Confident | 12 Ų | 12 | 57.4 Ų | 57.4 | 7% | 0.073 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66.2 | -43.3 | -179.1 | 170.1 | 0 | 0 | 0 | 0 | 111 | S65 V66 Y71 Y73 A162 P163 I167 | S65-V69 VanDerWaalsContact O-CB 3.29Å; S65-V69 WeakPolarHBondContact O-CB 3.42Å; S65-V69 WeakPolarHBondContact O-CG2 3.3Å; S65-V69 PolarHBondContact O-N 2.87Å; V66-V69 PolarHBondContact O-N 3.42Å; V69-Y71 PolarHBondContact O-N 2.93Å; V69-Y73 HydrophobicContact CG1-CD2 4.49Å; V69-Y73 HydrophobicContact CG2-CD2 4.38Å; V69-Y73 WeakPolarHBondContact O-CB 3.16Å; V69-Y73 PolarHBondContact O-N 3.3Å; V69-A162 HydrophobicContact CG2-CB 4.15Å; V69-P163 HydrophobicContact CG2-CG 4.24Å; V69-I167 HydrophobicContact CG1-CD1 3.62Å; V69-I167 HydrophobicContact CG1-CG1 3.83Å |
| 70 | G | 68 | Low | 80.1 | Confident | 47 Ų | 47 | 62.9 Ų | 62.9 | 49% | 0.485 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -58.1 | -35.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | V66 | V66-G70 PolarHBondContact O-N 3.12Å |
| 71 | Y | 66.7 | Low | 79.9 | Confident | 129 Ų | 129 | 61.3 Ų | 61.3 | 51% | 0.506 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -80.3 | -50.3 | 179.2 | -175 | -98.8 | 0 | 0 | 0 | 113.4 | L67 L68 V69 F270 | L67-Y71 PolarHBondContact O-N 3.41Å; L68-Y71 PolarHBondContact O-N 3.39Å; V69-Y71 PolarHBondContact O-N 2.93Å; Y71-F270 HydrophobicContact CE2-CE1 4.5Å |
| 72 | F | 71 | Confident | 79.8 | Confident | 136 Ų | 136 | 61.2 Ų | 61.2 | 60% | 0.596 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -87.8 | -24.5 | -169.6 | -72.5 | -67.1 | 0 | 0 | 0 | 115 | L68 | L68-F72 HydrophobicContact CB-CD2 4.44Å; L68-F72 HydrophobicContact CD2-CE2 4.08Å; L68-F72 WeakPolarHBondContact O-CD2 3.18Å; L68-F72 PolarHBondContact O-N 3.25Å |
| 73 | Y | 70.8 | Confident | 79.8 | Confident | 107 Ų | 107 | 60 Ų | 60 | 42% | 0.42 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -111.5 | 7.9 | -169.2 | -69.6 | -90.4 | 0 | 0 | 0 | 114.6 | V69 D75 C76 V81 | V69-Y73 HydrophobicContact CG1-CD2 4.49Å; V69-Y73 HydrophobicContact CG2-CD2 4.38Å; V69-Y73 WeakPolarHBondContact O-CB 3.16Å; V69-Y73 PolarHBondContact O-N 3.3Å; Y73-D75 VanDerWaalsContact C-N 3.28Å; Y73-D75 PolarHBondContact O-N 3.49Å; Y73-C76 HydrophobicContact CD1-CB 4.27Å; Y73-C76 PolarHBondContact O-N 3.04Å; Y73-V81 HydrophobicContact CD1-CG1 3.69Å; Y73-V81 HydrophobicContact CD1-CG2 3.92Å; Y73-V81 HydrophobicContact CE1-CG1 4.18Å; Y73-V81 HydrophobicContact CG-CG1 4.14Å |
| 74 | A | 61.2 | Low | 80.1 | Confident | 40 Ų | 40 | 61.4 Ų | 61.4 | 33% | 0.331 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -40.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | K78 | A74-K78 WeakPolarHBondContact O-CE 3.48Š|
| 75 | D | 67.3 | Low | 80.5 | Confident | 119 Ų | 119 | 56.5 Ų | 56.5 | 64% | 0.636 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | -0.6 | -174.8 | -68.3 | -43.4 | 0 | 0 | 0 | 114.9 | Y73 R246 | Y73-D75 VanDerWaalsContact C-N 3.28Å; Y73-D75 PolarHBondContact O-N 3.49Å; D75-R246 PolarHBondContact O-NH2 3.3Å |
| 76 | C | 74 | Confident | 80.9 | Confident | 51 Ų | 51 | 56 Ų | 56 | 35% | 0.345 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -73 | 174.6 | -177.9 | -70.6 | 0 | 0 | 0 | 0 | 112.9 | Y73 K78 V81 | Y73-C76 HydrophobicContact CD1-CB 4.27Å; Y73-C76 PolarHBondContact O-N 3.04Å; C76-K78 VanDerWaalsContact C-N 3.27Å; C76-K78 PolarHBondContact O-N 3.47Å; C76-V81 HydrophobicContact CB-CG2 3.76Å |
| 77 | H | 81.5 | Confident | 81.4 | Confident | 44 Ų | 44 | 57.4 Ų | 57.4 | 20% | 0.204 | 30% | 0.301 | C | S | . | . | trans | -71.8 | 83.7 | 171.6 | -169.9 | -56.7 | 0 | 0 | 0 | 110.2 | P79 R80 V81 R246 | H77-P79 VanDerWaalsContact O-N 3.15Å; H77-R80 HydrophobicContact CB-CB 4.42Å; H77-R80 PolarHBondContact O-N 3.22Å; H77-V81 PolarHBondContact O-N 3Å; H77-R246 PolarHBondContact NE2-N 3.36Å | ||
| 78 | K | 83.4 | Confident | 82.4 | Confident | 35 Ų | 35 | 55.2 Ų | 55.2 | 15% | 0.152 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -37.6 | -56 | -171.6 | -63.9 | -174.6 | -174.6 | -173.1 | 0 | 114.7 | A74 C76 R80 V81 I82 I167 Y171 D174 | A74-K78 WeakPolarHBondContact O-CE 3.48Å; C76-K78 VanDerWaalsContact C-N 3.27Å; C76-K78 PolarHBondContact O-N 3.47Å; K78-R80 VanDerWaalsContact C-N 3.32Å; K78-R80 PolarHBondContact O-N 3.49Å; K78-V81 PolarHBondContact O-N 3.36Å; K78-I82 WeakPolarHBondContact O-CG1 3.49Å; K78-I82 PolarHBondContact O-N 3.3Å; K78-I82 VanDerWaalsContact O-N 3.1Å; K78-I167 HydrophobicContact CB-CG2 3.47Å; K78-I167 VanDerWaalsContact CB-CG2 3.47Å; K78-I167 HydrophobicContact CD-CG2 4.07Å; K78-I167 HydrophobicContact CG-CG2 3.61Å; K78-Y171 HydrophobicContact CB-CD2 3.85Å; K78-Y171 HydrophobicContact CB-CG 4.42Å; K78-Y171 HydrophobicContact CD-CD2 4.18Å; K78-D174 IonicContact NZ-OD2 3.03Å; K78-D174 PolarHBondContact NZ-OD2 2.97Å |
| 79 | P | 87 | Confident | 83.3 | Confident | 2 Ų | 2 | 51.7 Ų | 51.7 | 1% | 0.013 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -57.1 | -35.5 | 178 | -28.2 | 34.4 | 0 | 0 | 0 | 115.9 | H77 I82 V83 Y171 F244 | H77-P79 VanDerWaalsContact O-N 3.15Å; P79-I82 PolarHBondContact O-N 3.36Å; P79-V83 VanDerWaalsContact O-CG2 3.29Å; P79-V83 WeakPolarHBondContact O-CG2 3.33Å; P79-V83 PolarHBondContact O-N 2.8Å; P79-Y171 HydrophobicContact CG-CD2 4.17Å; P79-Y171 HydrophobicContact CG-CE1 4.26Å; P79-Y171 HydrophobicContact CG-CE2 3.61Å; P79-F244 HydrophobicContact CB-CB 4.2Å; P79-F244 HydrophobicContact CG-CB 4.3Å |
| 80 | R | 89.8 | Confident | 84.2 | Confident | 146 Ų | 146 | 51.3 Ų | 51.3 | 55% | 0.551 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -73.7 | -35.3 | -178.1 | -71 | 178.2 | -175.4 | 178.2 | 0.4 | 111.7 | H77 K78 V83 G84 | H77-R80 HydrophobicContact CB-CB 4.42Å; H77-R80 PolarHBondContact O-N 3.22Å; K78-R80 VanDerWaalsContact C-N 3.32Å; K78-R80 PolarHBondContact O-N 3.49Å; R80-V83 PolarHBondContact O-N 3.09Å; R80-G84 PolarHBondContact O-N 3.35Å |
| 81 | V | 88.8 | Confident | 85.7 | Confident | 26 Ų | 26 | 52.5 Ų | 52.5 | 16% | 0.158 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67.2 | -42.1 | 175.2 | -173.5 | 0 | 0 | 0 | 0 | 109.9 | Y73 C76 H77 K78 G84 G85 P163 I167 | Y73-V81 HydrophobicContact CD1-CG1 3.69Å; Y73-V81 HydrophobicContact CD1-CG2 3.92Å; Y73-V81 HydrophobicContact CE1-CG1 4.18Å; Y73-V81 HydrophobicContact CG-CG1 4.14Å; C76-V81 HydrophobicContact CB-CG2 3.76Å; H77-V81 PolarHBondContact O-N 3Å; K78-V81 PolarHBondContact O-N 3.36Å; V81-G84 PolarHBondContact O-N 2.97Å; V81-G85 PolarHBondContact O-N 3.36Å; V81-P163 HydrophobicContact CG1-CB 4.2Å; V81-I167 HydrophobicContact CB-CD1 4.1Å; V81-I167 HydrophobicContact CG1-CD1 3.67Å |
| 82 | I | 91.2 | Very high | 87.2 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57 | -51.5 | 173.5 | -67.7 | 168.1 | 0 | 0 | 0 | 110.5 | F15 M19 K78 P79 G84 G85 V86 F164 I167 A168 | F15-I82 HydrophobicContact CZ-CD1 3.82Å; M19-I82 HydrophobicContact CE-CG2 3.97Å; M19-I82 HydrophobicContact SD-CG2 3.77Å; K78-I82 WeakPolarHBondContact O-CG1 3.49Å; K78-I82 PolarHBondContact O-N 3.3Å; K78-I82 VanDerWaalsContact O-N 3.1Å; P79-I82 PolarHBondContact O-N 3.36Å; I82-G84 VanDerWaalsContact C-N 3.3Å; I82-G84 PolarHBondContact O-N 3.22Å; I82-G85 WeakPolarHBondContact O-CA 3.43Å; I82-G85 PolarHBondContact O-N 2.96Å; I82-G85 VanDerWaalsContact O-N 3.09Å; I82-V86 WeakPolarHBondContact O-CG2 3.3Å; I82-V86 PolarHBondContact O-N 3.09Å; I82-F164 HydrophobicContact CG2-CB 4.03Å; I82-I167 HydrophobicContact CD1-CB 4.38Å; I82-I167 HydrophobicContact CD1-CG2 4.05Å; I82-I167 HydrophobicContact CG1-CB 4.12Å; I82-I167 HydrophobicContact CG1-CG2 4.08Å; I82-A168 HydrophobicContact CD1-CB 3.78Å; I82-A168 HydrophobicContact CG1-CB 4.39Å |
| 83 | V | 94.3 | Very high | 88.4 | Confident | 5 Ų | 5 | 40 Ų | 40 | 3% | 0.03 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.8 | -39.8 | 177.6 | 171.8 | 0 | 0 | 0 | 0 | 111.9 | P79 R80 G85 V86 L87 L241 F242 | P79-V83 VanDerWaalsContact O-CG2 3.29Å; P79-V83 WeakPolarHBondContact O-CG2 3.33Å; P79-V83 PolarHBondContact O-N 2.8Å; R80-V83 PolarHBondContact O-N 3.09Å; V83-G85 VanDerWaalsContact C-N 3.33Å; V83-G85 PolarHBondContact O-N 2.91Å; V83-V86 PolarHBondContact O-N 3.17Å; V83-L87 HydrophobicContact CG1-CD1 4.02Å; V83-L87 HydrophobicContact CG1-CG 4.34Å; V83-L87 WeakPolarHBondContact O-CG 3.06Å; V83-L87 PolarHBondContact O-N 3.14Å; V83-L241 HydrophobicContact CG2-CB 3.5Å; V83-L241 VanDerWaalsContact CG2-CB 3.5Å; V83-F242 HydrophobicContact CG1-CB 4.47Å; V83-F242 HydrophobicContact CG1-CD2 4.12Å; V83-F242 HydrophobicContact CG2-CB 4.43Å |
| 84 | G | 93.8 | Very high | 89.7 | Confident | 40 Ų | 40 | 38.8 Ų | 38.8 | 41% | 0.412 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -58.2 | -43.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | R80 V81 I82 L88 | R80-G84 PolarHBondContact O-N 3.35Å; V81-G84 PolarHBondContact O-N 2.97Å; I82-G84 VanDerWaalsContact C-N 3.3Å; I82-G84 PolarHBondContact O-N 3.22Å; G84-L88 WeakPolarHBondContact O-CB 3.17Å; G84-L88 PolarHBondContact O-N 2.88Å |
| 85 | G | 94.5 | Very high | 91.4 | Very high | 4 Ų | 4 | 39.6 Ų | 39.6 | 4% | 0.041 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.6 | -47.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | V81 I82 V83 L87 L88 S89 S160 | V81-G85 PolarHBondContact O-N 3.36Å; I82-G85 WeakPolarHBondContact O-CA 3.43Å; I82-G85 PolarHBondContact O-N 2.96Å; I82-G85 VanDerWaalsContact O-N 3.09Å; V83-G85 VanDerWaalsContact C-N 3.33Å; V83-G85 PolarHBondContact O-N 2.91Å; G85-L87 PolarHBondContact O-N 3.04Å; G85-L88 PolarHBondContact O-N 3.18Å; G85-S89 PolarHBondContact O-N 3.06Å; G85-S89 PolarHBondContact O-OG 2.97Å; G85-S160 CarbonylContact C-O 3.4Å; G85-S160 VanDerWaalsContact CA-O 3.3Å; G85-S160 WeakPolarHBondContact CA-O 3.36Å; G85-S160 WeakPolarHBondContact O-CB 3.31Å |
| 86 | V | 96.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.9 | -43.8 | 179.1 | 176.4 | 0 | 0 | 0 | 0 | 112.2 | V22 I82 V83 L88 S89 S90 F164 Y234 | V22-V86 HydrophobicContact CG1-CG2 3.77Å; V22-V86 HydrophobicContact CG2-CG2 4.33Å; I82-V86 WeakPolarHBondContact O-CG2 3.3Å; I82-V86 PolarHBondContact O-N 3.09Å; V83-V86 PolarHBondContact O-N 3.17Å; V86-L88 VanDerWaalsContact C-N 3.34Å; V86-S89 WeakPolarHBondContact O-CB 3.33Å; V86-S89 PolarHBondContact O-N 3.27Å; V86-S90 PolarHBondContact O-N 3.35Å; V86-S90 VanDerWaalsContact O-N 3.08Å; V86-F164 HydrophobicContact CG2-CD1 3.82Å; V86-F164 HydrophobicContact CG2-CE1 4.24Å; V86-F164 HydrophobicContact CG2-CG 4.43Å; V86-Y234 HydrophobicContact CG1-CD1 3.82Å; V86-Y234 HydrophobicContact CG1-CG 4.31Å; V86-Y234 WeakPolarHBondContact CG1-O 3.38Å |
| 87 | L | 97 | Very high | 93.8 | Very high | 76 Ų | 76 | 31.6 Ų | 31.6 | 40% | 0.398 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -65.4 | -38.8 | 176.4 | -72.9 | 174 | 0 | 0 | 0 | 111.7 | V83 G85 S89 S90 V91 S238 | V83-L87 HydrophobicContact CG1-CD1 4.02Å; V83-L87 HydrophobicContact CG1-CG 4.34Å; V83-L87 WeakPolarHBondContact O-CG 3.06Å; V83-L87 PolarHBondContact O-N 3.14Å; G85-L87 PolarHBondContact O-N 3.04Å; L87-S89 VanDerWaalsContact C-N 3.33Å; L87-S90 WeakPolarHBondContact O-CB 3.37Å; L87-S90 PolarHBondContact O-N 3Å; L87-V91 PolarHBondContact O-N 3.3Å; L87-V91 VanDerWaalsContact O-N 3.13Å; L87-S238 VanDerWaalsContact CD2-OG 3.28Å; L87-S238 WeakPolarHBondContact CD2-OG 3.36Å |
| 88 | L | 96.6 | Very high | 94.3 | Very high | 65 Ų | 65 | 32.4 Ų | 32.4 | 34% | 0.34 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -67.7 | -34.3 | 176.3 | -168.3 | 64.4 | 0 | 0 | 0 | 111.9 | G84 G85 V86 S90 V91 A92 L156 | G84-L88 WeakPolarHBondContact O-CB 3.17Å; G84-L88 PolarHBondContact O-N 2.88Å; G85-L88 PolarHBondContact O-N 3.18Å; V86-L88 VanDerWaalsContact C-N 3.34Å; L88-S90 VanDerWaalsContact C-N 3.34Å; L88-V91 PolarHBondContact O-N 3.41Å; L88-A92 PolarHBondContact O-N 2.91Å; L88-L156 HydrophobicContact CD1-CD1 3.92Å; L88-L156 HydrophobicContact CD1-CD2 4.2Å; L88-L156 HydrophobicContact CD1-CG 4.31Å; L88-L156 HydrophobicContact CD2-CD1 3.9Å; L88-L156 HydrophobicContact CG-CD1 3.88Å; L88-L156 HydrophobicContact CG-CG 4.19Å |
| 89 | S | 97.3 | Very high | 94.7 | Very high | 2 Ų | 2 | 30.8 Ų | 30.8 | 1% | 0.014 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.9 | -39.2 | 170.8 | -64.6 | 0 | 0 | 0 | 0 | 111.8 | G85 V86 L87 V91 A92 M93 S160 F164 | G85-S89 PolarHBondContact O-N 3.06Å; G85-S89 PolarHBondContact O-OG 2.97Å; V86-S89 WeakPolarHBondContact O-CB 3.33Å; V86-S89 PolarHBondContact O-N 3.27Å; L87-S89 VanDerWaalsContact C-N 3.33Å; S89-V91 PolarHBondContact O-N 3.47Å; S89-A92 WeakPolarHBondContact O-CB 3.39Å; S89-A92 PolarHBondContact O-N 3.01Å; S89-M93 WeakPolarHBondContact O-CG 3.28Å; S89-M93 PolarHBondContact O-N 3.26Å; S89-S160 VanDerWaalsContact CA-OG 3.31Å; S89-S160 WeakPolarHBondContact CA-OG 3.41Å; S89-S160 PolarHBondContact N-OG 3.37Å; S89-S160 WeakPolarHBondContact OG-CB 3.48Å; S89-S160 PolarHBondContact OG-OG 3.4Å; S89-F164 WeakPolarHBondContact OG-CE1 3.21Å |
| 90 | S | 98 | Very high | 94.6 | Very high | 4 Ų | 4 | 31.7 Ų | 31.7 | 3% | 0.028 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.2 | -44.7 | 172.8 | 179.1 | 0 | 0 | 0 | 0 | 112.3 | V86 L87 L88 A92 M93 F94 A231 I235 | V86-S90 PolarHBondContact O-N 3.35Å; V86-S90 VanDerWaalsContact O-N 3.08Å; L87-S90 WeakPolarHBondContact O-CB 3.37Å; L87-S90 PolarHBondContact O-N 3Å; L88-S90 VanDerWaalsContact C-N 3.34Å; S90-A92 VanDerWaalsContact C-N 3.33Å; S90-A92 PolarHBondContact O-N 3.41Å; S90-M93 PolarHBondContact O-N 3.49Å; S90-F94 VanDerWaalsContact O-CD2 3.3Å; S90-F94 WeakPolarHBondContact O-CD2 3.37Å; S90-F94 PolarHBondContact O-N 2.93Å; S90-A231 WeakPolarHBondContact CB-O 3.21Å; S90-A231 PolarHBondContact OG-O 2.92Å; S90-I235 WeakPolarHBondContact OG-CD1 3.35Å; S90-I235 WeakPolarHBondContact OG-CG1 3.49Å |
| 91 | V | 98 | Very high | 94.5 | Very high | 72 Ų | 72 | 30.3 Ų | 30.3 | 44% | 0.436 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -59.3 | -45.2 | 175.1 | 175.6 | 0 | 0 | 0 | 0 | 111 | L87 L88 S89 M93 F94 L95 L156 | L87-V91 PolarHBondContact O-N 3.3Å; L87-V91 VanDerWaalsContact O-N 3.13Å; L88-V91 PolarHBondContact O-N 3.41Å; S89-V91 PolarHBondContact O-N 3.47Å; V91-M93 VanDerWaalsContact C-N 3.31Å; V91-M93 PolarHBondContact O-N 3.4Å; V91-F94 PolarHBondContact O-N 3.28Å; V91-L95 HydrophobicContact CG1-CD1 4.19Å; V91-L95 HydrophobicContact CG1-CG 4.46Å; V91-L95 WeakPolarHBondContact O-CG 3.38Å; V91-L95 PolarHBondContact O-N 3.12Å; V91-L156 HydrophobicContact CG1-CD2 4.3Å |
| 92 | A | 98.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.1 | -41.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L88 S89 S90 L95 L96 L156 A157 | L88-A92 PolarHBondContact O-N 2.91Å; S89-A92 WeakPolarHBondContact O-CB 3.39Å; S89-A92 PolarHBondContact O-N 3.01Å; S90-A92 VanDerWaalsContact C-N 3.33Å; S90-A92 PolarHBondContact O-N 3.41Å; A92-L95 PolarHBondContact O-N 2.94Å; A92-L96 PolarHBondContact O-N 3.47Å; A92-L156 HydrophobicContact CB-CB 4.11Å; A92-L156 HydrophobicContact CB-CD2 4.08Å; A92-L156 HydrophobicContact CB-CG 4.07Å; A92-A157 HydrophobicContact CB-CB 3.86Å |
| 93 | M | 98 | Very high | 93.9 | Very high | 2 Ų | 2 | 35.4 Ų | 35.4 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.3 | -40.3 | 176.9 | -66.8 | -52.7 | 103.1 | 0 | 0 | 112.5 | Y29 S89 S90 V91 L95 L96 A97 A157 F227 C230 A231 Y234 | Y29-M93 HydrophobicContact CD1-CE 4.15Å; Y29-M93 HydrophobicContact CD2-CE 3.69Å; Y29-M93 HydrophobicContact CD2-SD 3.34Å; Y29-M93 WeakPolarHBondContact CD2-SD 3.36Å; Y29-M93 HydrophobicContact CE1-CE 4.08Å; Y29-M93 HydrophobicContact CE2-CE 3.6Å; Y29-M93 HydrophobicContact CE2-SD 3.79Å; Y29-M93 HydrophobicContact CG-CE 3.95Å; Y29-M93 HydrophobicContact CG-SD 3.73Å; S89-M93 WeakPolarHBondContact O-CG 3.28Å; S89-M93 PolarHBondContact O-N 3.26Å; S90-M93 PolarHBondContact O-N 3.49Å; V91-M93 VanDerWaalsContact C-N 3.31Å; V91-M93 PolarHBondContact O-N 3.4Å; M93-L95 VanDerWaalsContact C-N 3.33Å; M93-L95 PolarHBondContact O-N 3.38Å; M93-L96 HydrophobicContact CE-CD1 3.78Å; M93-L96 PolarHBondContact O-N 3.4Å; M93-L96 HydrophobicContact SD-CD1 4.18Å; M93-A97 PolarHBondContact O-N 3.14Å; M93-A97 VanDerWaalsContact O-N 3.14Å; M93-A157 HydrophobicContact CE-CB 3.75Å; M93-F227 HydrophobicContact SD-CD1 4.36Å; M93-C230 HydrophobicContact CG-CB 4.15Å; M93-C230 HydrophobicContact SD-CB 4.4Å; M93-A231 HydrophobicContact CB-CB 3.63Å; M93-Y234 HydrophobicContact CG-CD2 4.17Å; M93-Y234 HydrophobicContact CG-CE2 3.99Å |
| 94 | F | 97.9 | Very high | 92.4 | Very high | 82 Ų | 82 | 36.2 Ų | 36.2 | 36% | 0.36 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -64.1 | -38.3 | 172.7 | -76.8 | -59.9 | 0 | 0 | 0 | 112.3 | S90 V91 L96 A97 L98 V228 A231 L232 I235 | S90-F94 VanDerWaalsContact O-CD2 3.3Å; S90-F94 WeakPolarHBondContact O-CD2 3.37Å; S90-F94 PolarHBondContact O-N 2.93Å; V91-F94 PolarHBondContact O-N 3.28Å; F94-L96 VanDerWaalsContact C-N 3.3Å; F94-L96 PolarHBondContact O-N 3.33Å; F94-A97 PolarHBondContact O-N 3.09Å; F94-L98 WeakPolarHBondContact O-CB 3.39Å; F94-L98 PolarHBondContact O-N 3.13Å; F94-V228 HydrophobicContact CE1-CG1 4.33Å; F94-A231 HydrophobicContact CD1-CB 4.02Å; F94-A231 HydrophobicContact CD2-CB 3.75Å; F94-A231 HydrophobicContact CE1-CB 3.85Å; F94-A231 HydrophobicContact CE2-CB 3.57Å; F94-A231 HydrophobicContact CG-CB 3.97Å; F94-A231 HydrophobicContact CZ-CB 3.63Å; F94-L232 HydrophobicContact CZ-CD2 4.17Å; F94-I235 HydrophobicContact CE2-CD1 3.91Å; F94-I235 HydrophobicContact CZ-CD1 4.42Å |
| 95 | L | 96.9 | Very high | 90.8 | Very high | 56 Ų | 56 | 39 Ų | 39 | 29% | 0.293 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -64.8 | -32.2 | 174.7 | -70.3 | 174 | 0 | 0 | 0 | 112.4 | V91 A92 M93 L98 P99 I149 A153 L156 | V91-L95 HydrophobicContact CG1-CD1 4.19Å; V91-L95 HydrophobicContact CG1-CG 4.46Å; V91-L95 WeakPolarHBondContact O-CG 3.38Å; V91-L95 PolarHBondContact O-N 3.12Å; A92-L95 PolarHBondContact O-N 2.94Å; M93-L95 VanDerWaalsContact C-N 3.33Å; M93-L95 PolarHBondContact O-N 3.38Å; L95-L98 HydrophobicContact CD2-CD2 4.01Å; L95-L98 WeakPolarHBondContact O-CB 3.46Å; L95-L98 PolarHBondContact O-N 3.12Å; L95-P99 VanDerWaalsContact O-CD 3.31Å; L95-P99 WeakPolarHBondContact O-CD 3.44Å; L95-I149 WeakPolarHBondContact O-CG2 3.24Å; L95-A153 HydrophobicContact CB-CB 3.59Å; L95-L156 HydrophobicContact CD1-CD2 3.94Å |
| 96 | L | 96.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -70 | -32.4 | 172.6 | -74 | 169.3 | 0 | 0 | 0 | 112.9 | Y29 A92 M93 F94 P99 M150 A153 Q154 W223 F227 | Y29-L96 HydrophobicContact CD2-CD1 4.44Å; Y29-L96 HydrophobicContact CE2-CD1 3.53Å; A92-L96 PolarHBondContact O-N 3.47Å; M93-L96 HydrophobicContact CE-CD1 3.78Å; M93-L96 PolarHBondContact O-N 3.4Å; M93-L96 HydrophobicContact SD-CD1 4.18Å; F94-L96 VanDerWaalsContact C-N 3.3Å; F94-L96 PolarHBondContact O-N 3.33Å; L96-P99 WeakPolarHBondContact O-CD 3.39Å; L96-M150 HydrophobicContact CD2-CB 4.31Å; L96-M150 HydrophobicContact CD2-CE 4.47Å; L96-A153 HydrophobicContact CD2-CB 3.76Å; L96-A153 HydrophobicContact CG-CB 3.7Å; L96-Q154 HydrophobicContact CD2-CG 4.24Å; L96-W223 WeakPolarHBondContact O-CZ3 3.46Å; L96-F227 HydrophobicContact CB-CB 4.45Å; L96-F227 HydrophobicContact CB-CD1 4.26Å; L96-F227 HydrophobicContact CB-CD2 3.98Å; L96-F227 HydrophobicContact CB-CE2 4.28Å; L96-F227 HydrophobicContact CB-CG 3.99Å; L96-F227 HydrophobicContact CD1-CD1 4.17Å; L96-F227 HydrophobicContact CD1-CE1 4.16Å |
| 97 | A | 94.6 | Very high | 86.2 | Confident | 2 Ų | 2 | 46.6 Ų | 46.6 | 2% | 0.017 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -78 | -25.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | M93 F94 P99 N100 F101 W224 F227 V228 | M93-A97 PolarHBondContact O-N 3.14Å; M93-A97 VanDerWaalsContact O-N 3.14Å; F94-A97 PolarHBondContact O-N 3.09Å; A97-P99 VanDerWaalsContact C-CD 3.44Å; A97-N100 WeakPolarHBondContact O-CB 3.45Å; A97-N100 PolarHBondContact O-N 3.32Å; A97-F101 HydrophobicContact CB-CE2 4.21Å; A97-F101 VanDerWaalsContact O-CD2 3.3Å; A97-F101 WeakPolarHBondContact O-CD2 3.5Å; A97-W224 HydrophobicContact CB-CB 4.21Å; A97-F227 HydrophobicContact CB-CB 4.2Å; A97-V228 HydrophobicContact CB-CG2 3.73Å |
| 98 | L | 93.4 | Very high | 83.4 | Confident | 62 Ų | 62 | 46.5 Ų | 46.5 | 33% | 0.325 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -52.8 | -42.1 | -173.2 | -176.4 | 67.1 | 0 | 0 | 0 | 114.8 | F94 L95 N100 F101 V102 I149 | F94-L98 WeakPolarHBondContact O-CB 3.39Å; F94-L98 PolarHBondContact O-N 3.13Å; L95-L98 HydrophobicContact CD2-CD2 4.01Å; L95-L98 WeakPolarHBondContact O-CB 3.46Å; L95-L98 PolarHBondContact O-N 3.12Å; L98-N100 PolarHBondContact O-N 2.7Å; L98-N100 VanDerWaalsContact O-N 3.15Å; L98-F101 PolarHBondContact O-N 2.96Å; L98-V102 HydrophobicContact CD1-CG2 3.52Å; L98-V102 HydrophobicContact CD2-CG2 4.28Å; L98-V102 HydrophobicContact CG-CG2 3.58Å; L98-V102 PolarHBondContact O-N 3.03Å; L98-I149 HydrophobicContact CD2-CG2 4.36Å |
| 99 | P | 90.9 | Very high | 80.4 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -57.3 | -31.4 | -178.8 | -28.5 | 36.9 | 0 | 0 | 0 | 114.1 | F44 L95 L96 A97 F101 F103 A146 I149 M150 W223 | F44-P99 HydrophobicContact CE1-CB 4.07Å; F44-P99 HydrophobicContact CE2-CB 4.27Å; F44-P99 HydrophobicContact CZ-CB 3.52Å; L95-P99 VanDerWaalsContact O-CD 3.31Å; L95-P99 WeakPolarHBondContact O-CD 3.44Å; L96-P99 WeakPolarHBondContact O-CD 3.39Å; A97-P99 VanDerWaalsContact C-CD 3.44Å; P99-F101 VanDerWaalsContact C-N 3.27Å; P99-F101 PolarHBondContact O-N 3.08Å; P99-F103 HydrophobicContact CB-CD2 3.94Å; P99-F103 HydrophobicContact CB-CE2 4.24Å; P99-F103 WeakPolarHBondContact O-CB 3.5Å; P99-F103 WeakPolarHBondContact O-CD2 3.34Å; P99-F103 PolarHBondContact O-N 3.07Å; P99-A146 HydrophobicContact CB-CB 4Å; P99-I149 HydrophobicContact CG-CB 4.32Å; P99-I149 HydrophobicContact CG-CG2 3.96Å; P99-M150 HydrophobicContact CG-CG 3.8Å; P99-M150 HydrophobicContact CG-SD 4.45Å; P99-W223 HydrophobicContact CB-CH2 4.36Å |
| 100 | N | 85.9 | Confident | 77.3 | Confident | 22 Ų | 22 | 48 Ų | 48 | 12% | 0.118 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.3 | -34.8 | 175.3 | -176.8 | 77.1 | 0 | 0 | 0 | 112.5 | A97 L98 G104 W223 W224 | A97-N100 WeakPolarHBondContact O-CB 3.45Å; A97-N100 PolarHBondContact O-N 3.32Å; L98-N100 PolarHBondContact O-N 2.7Å; L98-N100 VanDerWaalsContact O-N 3.15Å; N100-G104 CarbonylContact O-C 3.44Å; N100-G104 VanDerWaalsContact O-C 3.24Å; N100-G104 WeakPolarHBondContact O-CA 3.49Å; N100-G104 PolarHBondContact O-N 3.12Å; N100-W223 HydrophobicContact CB-CH2 4.12Å; N100-W223 HydrophobicContact CB-CZ2 3.7Å; N100-W224 HydrophobicContact CB-CB 3.88Å; N100-W224 HydrophobicContact CB-CG 3.86Å; N100-W224 VanDerWaalsContact ND2-CD1 3.25Å; N100-W224 PolarHBondContact ND2-NE1 3.29Å |
| 101 | F | 87.2 | Confident | 74.7 | Confident | 116 Ų | 116 | 53 Ų | 53 | 51% | 0.509 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -87.8 | -35.7 | -177.6 | -58.5 | -77.7 | 0 | 0 | 0 | 112.5 | A97 L98 P99 W224 | A97-F101 HydrophobicContact CB-CE2 4.21Å; A97-F101 VanDerWaalsContact O-CD2 3.3Å; A97-F101 WeakPolarHBondContact O-CD2 3.5Å; L98-F101 PolarHBondContact O-N 2.96Å; P99-F101 VanDerWaalsContact C-N 3.27Å; P99-F101 PolarHBondContact O-N 3.08Å; F101-W224 HydrophobicContact CE1-CZ3 4.44Å; F101-W224 HydrophobicContact CE2-CD2 4.36Å; F101-W224 AromaticContact CE2-CE3 3.96Å; F101-W224 HydrophobicContact CE2-CE3 3.96Å; F101-W224 HydrophobicContact CE2-CZ3 4.42Å; F101-W224 AromaticContact CZ-CD2 4Å; F101-W224 HydrophobicContact CZ-CD2 4Å; F101-W224 AromaticContact CZ-CE3 3.54Å; F101-W224 HydrophobicContact CZ-CE3 3.54Å; F101-W224 HydrophobicContact CZ-CH2 4.08Å; F101-W224 HydrophobicContact CZ-CZ2 4.48Å; F101-W224 AromaticContact CZ-CZ3 3.6Å; F101-W224 HydrophobicContact CZ-CZ3 3.6Å |
| 102 | V | 85.2 | Confident | 71.8 | Confident | 83 Ų | 83 | 55.8 Ų | 55.8 | 50% | 0.503 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -77.2 | -41.9 | -178.1 | 172.8 | 0 | 0 | 0 | 0 | 111.7 | L98 | L98-V102 HydrophobicContact CD1-CG2 3.52Å; L98-V102 HydrophobicContact CD2-CG2 4.28Å; L98-V102 HydrophobicContact CG-CG2 3.58Å; L98-V102 PolarHBondContact O-N 3.03Å |
| 103 | F | 81.1 | Confident | 68.9 | Low | 51 Ų | 51 | 60.9 Ų | 60.9 | 22% | 0.224 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -98.9 | 6.7 | -178 | -55.3 | -70.3 | 0 | 0 | 0 | 112.8 | P99 V142 A146 I149 | P99-F103 HydrophobicContact CB-CD2 3.94Å; P99-F103 HydrophobicContact CB-CE2 4.24Å; P99-F103 WeakPolarHBondContact O-CB 3.5Å; P99-F103 WeakPolarHBondContact O-CD2 3.34Å; P99-F103 PolarHBondContact O-N 3.07Å; F103-V142 HydrophobicContact CB-CG1 3.68Å; F103-V142 HydrophobicContact CD1-CB 4.12Å; F103-V142 HydrophobicContact CD1-CG1 3.45Å; F103-V142 VanDerWaalsContact CD1-CG1 3.45Å; F103-V142 HydrophobicContact CE1-CG1 4.35Å; F103-V142 HydrophobicContact CG-CG1 3.8Å; F103-A146 HydrophobicContact CD2-CB 3.67Å; F103-A146 HydrophobicContact CE2-CB 3.61Å; F103-A146 HydrophobicContact CZ-CB 4.36Å; F103-I149 HydrophobicContact CE2-CD1 3.92Å; F103-I149 HydrophobicContact CZ-CD1 4.15Å |
| 104 | G | 64.3 | Low | 66.2 | Low | 22 Ų | 22 | 62.4 Ų | 62.4 | 23% | 0.227 | 34% | 0.344 | C | S | . | . | trans | 67.5 | 174.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114 | R43 N100 | R43-G104 PolarHBondContact NH2-O 3.46Å; N100-G104 CarbonylContact O-C 3.44Å; N100-G104 VanDerWaalsContact O-C 3.24Å; N100-G104 WeakPolarHBondContact O-CA 3.49Å; N100-G104 PolarHBondContact O-N 3.12Å | ||
| 105 | P | 59 | Low | 63.4 | Low | 99 Ų | 99 | 61 Ų | 61 | 64% | 0.643 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -63.9 | 171.8 | 158.2 | 29.5 | -32.8 | 0 | 0 | 0 | 109.4 | R43 | R43-P105 PolarHBondContact NH2-O 2.84Å; R43-P105 VanDerWaalsContact NH2-O 3.1Å |
| 106 | T | 51.9 | Low | 60.6 | Low | 39 Ų | 39 | 63.5 Ų | 63.5 | 24% | 0.239 | 36% | 0.361 | C | S | . | . | trans | -58.2 | 153.2 | 179.1 | 25.5 | 0 | 0 | 0 | 0 | 105.6 | R43 Y108 I220 | R43-T106 VanDerWaalsContact CZ-N 3.33Å; R43-T106 VanDerWaalsContact NH2-N 3.16Å; T106-Y108 PolarHBondContact O-N 3.22Å; T106-I220 HydrophobicContact CG2-CD1 4.38Å | ||
| 107 | P | 42.6 | Very low | 58 | Low | 124 Ų | 124 | 66.8 Ų | 66.8 | 81% | 0.805 | 38% | 0.376 | S | S | * | . | trans | -64.8 | 69.9 | 158.1 | 29 | -31.5 | 0 | 0 | 0 | 108.1 | ||||
| 108 | Y | 38.1 | Very low | 55.6 | Low | 74 Ų | 74 | 68.3 Ų | 68.3 | 29% | 0.29 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -70 | 121.2 | 137.7 | -99.5 | -87 | 0 | 0 | 0 | 103.2 | T106 I114 Y218 | T106-Y108 PolarHBondContact O-N 3.22Å; Y108-I114 HydrophobicContact CD1-CD1 3.85Å; Y108-Y218 HydrophobicContact CE1-CE2 4.19Å; Y108-Y218 AromaticContact CE2-CD2 3.98Å; Y108-Y218 HydrophobicContact CE2-CD2 3.98Å; Y108-Y218 AromaticContact CE2-CE2 3.36Å; Y108-Y218 HydrophobicContact CE2-CE2 3.36Å; Y108-Y218 AromaticContact CZ-CE2 3.18Å; Y108-Y218 AromaticContact CZ-CZ 3.51Å; Y108-Y218 WeakPolarHBondContact OH-CE2 3.29Å; Y108-Y218 PolarHBondContact OH-OH 3.02Å |
| 109 | P | 33.8 | Very low | 53.1 | Low | 16 Ų | 16 | 69.4 Ų | 69.4 | 10% | 0.104 | 40% | 0.401 | C | S | . | . | P | Polyproline II helix | trans | -49.8 | 141.4 | 164.6 | -15.3 | 25.9 | 0 | 0 | 0 | 107.3 | E113 I114 | P109-E113 HydrophobicContact CB-CB 3.55Å; P109-I114 HydrophobicContact CB-CG1 4.06Å; P109-I114 HydrophobicContact CG-CG1 4.39Å; P109-I114 WeakPolarHBondContact O-CD1 3.34Å; P109-I114 WeakPolarHBondContact O-CG1 3.42Å |
| 110 | P | 32.7 | Very low | 50.7 | Low | 81 Ų | 81 | 73.9 Ų | 73.9 | 53% | 0.526 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -52.3 | 151.5 | 171.6 | 19.7 | -30.4 | 0 | 0 | 0 | 110.2 | D112 E113 I114 | P110-D112 PolarHBondContact O-N 3.32Å; P110-E113 WeakPolarHBondContact CD-OE2 3.25Å; P110-E113 HydrophobicContact CG-CB 4.25Å; P110-E113 HydrophobicContact CG-CG 4.3Å; P110-E113 CarbonylContact O-C 3.53Å; P110-E113 WeakPolarHBondContact O-CA 3.43Å; P110-E113 PolarHBondContact O-N 3.29Å; P110-I114 PolarHBondContact O-N 3.5Å |
| 111 | V | 43 | Very low | 48.8 | Very low | 110 Ų | 110 | 73.4 Ų | 73.4 | 67% | 0.667 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -50.2 | -25.8 | -173.1 | 177.5 | 0 | 0 | 0 | 0 | 113.7 | I114 A115 | V111-I114 PolarHBondContact O-N 3.01Å; V111-A115 WeakPolarHBondContact O-CB 3.42Å; V111-A115 PolarHBondContact O-N 3.41Å |
| 112 | D | 37.2 | Very low | 47.1 | Very low | 131 Ų | 131 | 70.2 Ų | 70.2 | 70% | 0.701 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -78.3 | -37.1 | 175.9 | -56.6 | -41.1 | 0 | 0 | 0 | 112.8 | P110 I114 A115 D116 | P110-D112 PolarHBondContact O-N 3.32Å; D112-I114 VanDerWaalsContact C-N 3.34Å; D112-A115 PolarHBondContact O-N 3.03Å; D112-D116 PolarHBondContact O-N 3.48Å |
| 113 | E | 36.6 | Very low | 45.8 | Very low | 106 Ų | 106 | 69.4 Ų | 69.4 | 50% | 0.495 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -74.3 | -25.1 | 167 | -78.9 | -174.8 | 167.3 | 0 | 0 | 111.7 | P109 P110 Q117 | P109-E113 HydrophobicContact CB-CB 3.55Å; P110-E113 WeakPolarHBondContact CD-OE2 3.25Å; P110-E113 HydrophobicContact CG-CB 4.25Å; P110-E113 HydrophobicContact CG-CG 4.3Å; P110-E113 CarbonylContact O-C 3.53Å; P110-E113 WeakPolarHBondContact O-CA 3.43Å; P110-E113 PolarHBondContact O-N 3.29Å; E113-Q117 WeakPolarHBondContact O-CA 3.13Å; E113-Q117 WeakPolarHBondContact O-CB 3.33Å; E113-Q117 WeakPolarHBondContact O-CG 3.42Å; E113-Q117 PolarHBondContact O-N 3.22Å |
| 114 | I | 41.1 | Very low | 45.1 | Very low | 35 Ų | 35 | 67.3 Ų | 67.3 | 18% | 0.179 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -69 | -47.9 | 168.4 | -67.2 | 174.5 | 0 | 0 | 0 | 108.9 | Y108 P109 P110 V111 D112 D116 Q117 H118 | Y108-I114 HydrophobicContact CD1-CD1 3.85Å; P109-I114 HydrophobicContact CB-CG1 4.06Å; P109-I114 HydrophobicContact CG-CG1 4.39Å; P109-I114 WeakPolarHBondContact O-CD1 3.34Å; P109-I114 WeakPolarHBondContact O-CG1 3.42Å; P110-I114 PolarHBondContact O-N 3.5Å; V111-I114 PolarHBondContact O-N 3.01Å; D112-I114 VanDerWaalsContact C-N 3.34Å; I114-D116 PolarHBondContact O-N 2.85Å; I114-Q117 PolarHBondContact O-N 2.52Å; I114-H118 WeakPolarHBondContact CA-ND1 3.25Å; I114-H118 WeakPolarHBondContact CB-ND1 3.47Å; I114-H118 HydrophobicContact CG2-CB 4.29Å; I114-H118 WeakPolarHBondContact CG2-CE1 3.45Å; I114-H118 WeakPolarHBondContact CG2-ND1 3.28Å; I114-H118 VanDerWaalsContact O-CA 3.28Å; I114-H118 WeakPolarHBondContact O-CA 3.48Å; I114-H118 WeakPolarHBondContact O-CB 3.22Å; I114-H118 PolarHBondContact O-N 2.92Å; I114-H118 PolarHBondContact O-ND1 3.5Å |
| 115 | A | 40.3 | Very low | 45.1 | Very low | 52 Ų | 52 | 66.9 Ų | 66.9 | 43% | 0.43 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -58.5 | -42.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | V111 D112 A119 | V111-A115 WeakPolarHBondContact O-CB 3.42Å; V111-A115 PolarHBondContact O-N 3.41Å; D112-A115 PolarHBondContact O-N 3.03Å; A115-A119 WeakPolarHBondContact O-CA 3.38Å; A115-A119 WeakPolarHBondContact O-CB 3.29Å; A115-A119 PolarHBondContact O-N 2.94Å |
| 116 | D | 36.8 | Very low | 45.5 | Very low | 108 Ų | 108 | 68.2 Ų | 68.2 | 58% | 0.578 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -75.2 | -37.6 | 176.4 | -80.5 | -21 | 0 | 0 | 0 | 113.6 | D112 I114 N120 | D112-D116 PolarHBondContact O-N 3.48Å; I114-D116 PolarHBondContact O-N 2.85Å; D116-N120 WeakPolarHBondContact O-CA 3.24Å; D116-N120 WeakPolarHBondContact O-CB 3.38Å; D116-N120 PolarHBondContact O-N 2.92Å; D116-N120 PolarHBondContact O-ND2 3.23Å |
| 117 | Q | 42.8 | Very low | 46 | Very low | 70 Ų | 70 | 70.7 Ų | 70.7 | 33% | 0.327 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -80.7 | -27.8 | 178.2 | -71.3 | -174.7 | -2.8 | 0 | 0 | 113.5 | E113 I114 N120 G121 T122 | E113-Q117 WeakPolarHBondContact O-CA 3.13Å; E113-Q117 WeakPolarHBondContact O-CB 3.33Å; E113-Q117 WeakPolarHBondContact O-CG 3.42Å; E113-Q117 PolarHBondContact O-N 3.22Å; I114-Q117 PolarHBondContact O-N 2.52Å; Q117-N120 CarbonylContact O-C 3.25Å; Q117-N120 VanDerWaalsContact O-C 3.25Å; Q117-G121 CarbonylContact O-C 3.57Å; Q117-G121 WeakPolarHBondContact O-CA 3.31Å; Q117-G121 PolarHBondContact O-N 3.11Å; Q117-T122 HydrophobicContact CB-CG2 4.13Å; Q117-T122 HydrophobicContact CG-CG2 4.41Å; Q117-T122 PolarHBondContact O-N 2.91Å; Q117-T122 PolarHBondContact O-OG1 3.18Å; Q117-T122 VanDerWaalsContact O-OG1 3.11Å |
| 118 | H | 44.4 | Very low | 46.7 | Very low | 33 Ų | 33 | 72.2 Ų | 72.2 | 15% | 0.153 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -89 | -30.5 | 176.5 | -58.7 | 60.9 | 0 | 0 | 0 | 110.6 | I114 G121 Y123 E432 | I114-H118 WeakPolarHBondContact CA-ND1 3.25Å; I114-H118 WeakPolarHBondContact CB-ND1 3.47Å; I114-H118 HydrophobicContact CG2-CB 4.29Å; I114-H118 WeakPolarHBondContact CG2-CE1 3.45Å; I114-H118 WeakPolarHBondContact CG2-ND1 3.28Å; I114-H118 VanDerWaalsContact O-CA 3.28Å; I114-H118 WeakPolarHBondContact O-CA 3.48Å; I114-H118 WeakPolarHBondContact O-CB 3.22Å; I114-H118 PolarHBondContact O-N 2.92Å; I114-H118 PolarHBondContact O-ND1 3.5Å; H118-G121 PolarHBondContact O-N 3.45Å; H118-Y123 AromaticContact CD2-CD2 3.89Å; H118-Y123 AromaticContact CE1-CD2 3.51Å; H118-Y123 AromaticContact CE1-CE2 3.45Å; H118-Y123 VanDerWaalsContact CE1-CE2 3.45Å; H118-Y123 WeakPolarHBondContact CE1-CE2 3.41Å; H118-Y123 AromaticContact NE2-CD2 3.28Å; H118-Y123 VanDerWaalsContact NE2-CD2 3.28Å; H118-Y123 WeakPolarHBondContact NE2-CD2 3.28Å; H118-Y123 AromaticContact NE2-CE2 3.6Å; H118-E432 IonicContact CD2-OE2 3.64Å; H118-E432 PolarHBondContact CD2-OE2 3.02Å; H118-E432 IonicContact NE2-OE2 3.71Å |
| 119 | A | 41 | Very low | 47.3 | Very low | 85 Ų | 85 | 71.3 Ų | 71.3 | 70% | 0.702 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -72.6 | -29.2 | 160.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | A115 G121 | A115-A119 WeakPolarHBondContact O-CA 3.38Å; A115-A119 WeakPolarHBondContact O-CB 3.29Å; A115-A119 PolarHBondContact O-N 2.94Å; A119-G121 VanDerWaalsContact C-N 3.31Å |
| 120 | N | 39.5 | Very low | 48.2 | Very low | 94 Ų | 94 | 76.6 Ų | 76.6 | 50% | 0.503 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | 1 | 167.6 | -66.6 | -36.8 | 0 | 0 | 0 | 113.7 | D116 Q117 R126 | D116-N120 WeakPolarHBondContact O-CA 3.24Å; D116-N120 WeakPolarHBondContact O-CB 3.38Å; D116-N120 PolarHBondContact O-N 2.92Å; D116-N120 PolarHBondContact O-ND2 3.23Å; Q117-N120 CarbonylContact O-C 3.25Å; Q117-N120 VanDerWaalsContact O-C 3.25Å; N120-R126 PolarHBondContact O-NH1 3.39Å |
| 121 | G | 45.7 | Very low | 48.9 | Very low | 12 Ų | 12 | 76.8 Ų | 76.8 | 12% | 0.124 | 43% | 0.427 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.8 | 41.8 | 168.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | Q117 H118 A119 | Q117-G121 CarbonylContact O-C 3.57Å; Q117-G121 WeakPolarHBondContact O-CA 3.31Å; Q117-G121 PolarHBondContact O-N 3.11Å; H118-G121 PolarHBondContact O-N 3.45Å; A119-G121 VanDerWaalsContact C-N 3.31Å |
| 122 | T | 52 | Low | 49 | Very low | 50 Ų | 50 | 77.2 Ų | 77.2 | 31% | 0.307 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -72.9 | -28.4 | -179.9 | 49.9 | 0 | 0 | 0 | 0 | 115.2 | Q117 | Q117-T122 HydrophobicContact CB-CG2 4.13Å; Q117-T122 HydrophobicContact CG-CG2 4.41Å; Q117-T122 PolarHBondContact O-N 2.91Å; Q117-T122 PolarHBondContact O-OG1 3.18Å; Q117-T122 VanDerWaalsContact O-OG1 3.11Å |
| 123 | Y | 58.9 | Low | 49.2 | Very low | 65 Ų | 65 | 78.1 Ų | 78.1 | 26% | 0.255 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -100.3 | -11.2 | 178.6 | -64.1 | -81.8 | 0 | 0 | 0 | 113.4 | H118 L412 | H118-Y123 AromaticContact CD2-CD2 3.89Å; H118-Y123 AromaticContact CE1-CD2 3.51Å; H118-Y123 AromaticContact CE1-CE2 3.45Å; H118-Y123 VanDerWaalsContact CE1-CE2 3.45Å; H118-Y123 WeakPolarHBondContact CE1-CE2 3.41Å; H118-Y123 AromaticContact NE2-CD2 3.28Å; H118-Y123 VanDerWaalsContact NE2-CD2 3.28Å; H118-Y123 WeakPolarHBondContact NE2-CD2 3.28Å; H118-Y123 AromaticContact NE2-CE2 3.6Å; Y123-L412 HydrophobicContact CD1-CD1 4.39Å |
| 124 | G | 64.5 | Low | 49.6 | Very low | 8 Ų | 8 | 79 Ų | 79 | 8% | 0.082 | 44% | 0.442 | C | S | . | . | S | Bend | trans | -89.9 | 162 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | R126 C429 | G124-R126 PolarHBondContact O-N 3.19Å; G124-C429 CarbonylContact C-O 3.49Å; G124-C429 WeakPolarHBondContact CA-O 3.5Å |
| 125 | C | 65.2 | Low | 49.8 | Very low | 13 Ų | 13 | 80.7 Ų | 80.7 | 9% | 0.088 | 46% | 0.461 | C | S | . | . | trans | -66.6 | 111.7 | 168.1 | 175.9 | 0 | 0 | 0 | 0 | 110.4 | C403 C429 | C125-C403 HydrophobicContact CB-CB 3.65Å; C125-C403 WeakPolarHBondContact CB-SG 3.25Å; C125-C403 WeakPolarHBondContact SG-CB 3.4Å; C125-C403 CovalentContact SG-SG 2.01Å; C125-C403 PolarHBondContact SG-SG 2.77Å; C125-C429 PolarHBondContact N-O 3.43Å | ||
| 126 | R | 68.4 | Low | 50 | Low | 127 Ų | 127 | 85 Ų | 85 | 48% | 0.479 | 48% | 0.477 | S | S | . | . | trans | -117.7 | 121.3 | 171.1 | -165.7 | 172.6 | -173.7 | 163.4 | -0.2 | 110.2 | N120 G124 N128 | N120-R126 PolarHBondContact O-NH1 3.39Å; G124-R126 PolarHBondContact O-N 3.19Å; R126-N128 PolarHBondContact O-N 2.75Å | ||
| 127 | E | 61.1 | Low | 50.5 | Low | 91 Ų | 91 | 87.8 Ų | 87.8 | 43% | 0.425 | 49% | 0.486 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | 131.4 | 175.3 | -64.7 | 170.5 | -159.6 | 0 | 0 | 109.5 | Q402 K442 | E127-Q402 HydrophobicContact CG-CB 4.33Å; E127-K442 IonicContact OE1-NZ 2.9Å; E127-K442 PolarHBondContact OE1-NZ 3.32Å |
| 128 | N | 57.3 | Low | 51.1 | Low | 156 Ų | 156 | 86.8 Ų | 86.8 | 83% | 0.834 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78 | 27.1 | 174.7 | -54.5 | -33.2 | 0 | 0 | 0 | 119.4 | R126 | R126-N128 PolarHBondContact O-N 2.75Š|
| 129 | M | 51.9 | Low | 51.7 | Low | 55 Ų | 55 | 87.8 Ų | 87.8 | 27% | 0.271 | 50% | 0.496 | S | S | . | . | trans | -78.8 | 133.2 | 161 | -82.7 | -165.8 | -168.9 | 0 | 0 | 111.4 | L132 N404 | M129-L132 HydrophobicContact SD-CD1 3.89Å; M129-N404 PolarHBondContact O-ND2 2.9Å | ||
| 130 | T | 51 | Low | 52.3 | Low | 127 Ų | 127 | 88.6 Ų | 88.6 | 78% | 0.779 | 48% | 0.484 | S | S | * | . | trans | -66.1 | 135.2 | 152.1 | 44.6 | 0 | 0 | 0 | 0 | 107.1 | L132 | T130-L132 PolarHBondContact O-N 3.46Š| ||
| 131 | S | 48.5 | Very low | 53.1 | Low | 85 Ų | 85 | 88.2 Ų | 88.2 | 59% | 0.594 | 49% | 0.494 | S | S | * | . | trans | -40.3 | 115.8 | 175.8 | 49.3 | 0 | 0 | 0 | 0 | 109.5 | D133 | S131-D133 VanDerWaalsContact C-N 3.29Å; S131-D133 PolarHBondContact O-N 3.02Å | ||
| 132 | L | 45.4 | Very low | 53.9 | Low | 119 Ų | 119 | 90.4 Ų | 90.4 | 62% | 0.623 | 51% | 0.505 | S | S | * | . | trans | -60.3 | 104.9 | 163.1 | -89.7 | 144.9 | 0 | 0 | 0 | 104.4 | M129 T130 V134 | M129-L132 HydrophobicContact SD-CD1 3.89Å; T130-L132 PolarHBondContact O-N 3.46Å; L132-V134 PolarHBondContact O-N 3.41Å | ||
| 133 | D | 40.4 | Very low | 55 | Low | 150 Ų | 150 | 89.9 Ų | 89.9 | 80% | 0.802 | 50% | 0.499 | S | S | * | . | trans | -60.9 | 85.1 | 162.3 | -82.5 | -20.8 | 0 | 0 | 0 | 105.5 | S131 A135 | S131-D133 VanDerWaalsContact C-N 3.29Å; S131-D133 PolarHBondContact O-N 3.02Å; D133-A135 VanDerWaalsContact C-N 3.31Å; D133-A135 PolarHBondContact O-N 3.48Å | ||
| 134 | V | 46.2 | Very low | 56.1 | Low | 124 Ų | 124 | 88.7 Ų | 88.7 | 75% | 0.752 | 51% | 0.507 | S | S | * | . | trans | -59.5 | 107.2 | 164.3 | 178.3 | 0 | 0 | 0 | 0 | 103.7 | L132 D136 | L132-V134 PolarHBondContact O-N 3.41Å; V134-D136 PolarHBondContact O-N 3.29Å | ||
| 135 | A | 43.9 | Very low | 57.2 | Low | 70 Ų | 70 | 89.5 Ų | 89.5 | 58% | 0.579 | 52% | 0.515 | S | S | * | . | trans | -45.1 | 129.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | D133 H137 | D133-A135 VanDerWaalsContact C-N 3.31Å; D133-A135 PolarHBondContact O-N 3.48Å; A135-H137 PolarHBondContact O-N 3.45Å | ||
| 136 | D | 44.1 | Very low | 58.3 | Low | 143 Ų | 143 | 88.9 Ų | 88.9 | 77% | 0.765 | 51% | 0.511 | S | S | * | . | trans | -61.2 | 31.3 | -173.8 | -128.1 | -4.2 | 0 | 0 | 0 | 114.4 | V134 C138 | V134-D136 PolarHBondContact O-N 3.29Å; D136-C138 PolarHBondContact O-N 2.87Å | ||
| 137 | H | 47.6 | Very low | 59.4 | Low | 166 Ų | 166 | 84.8 Ų | 84.8 | 77% | 0.769 | 50% | 0.496 | S | S | * | . | trans | -73.3 | 73.6 | 172.2 | -77.6 | 78.5 | 0 | 0 | 0 | 108.8 | A135 P139 | A135-H137 PolarHBondContact O-N 3.45Å; H137-P139 WeakPolarHBondContact O-CD 3.32Å; H137-P139 VanDerWaalsContact O-N 3.13Å | ||
| 138 | C | 55.9 | Low | 60.9 | Low | 49 Ų | 49 | 82.8 Ų | 82.8 | 33% | 0.331 | 49% | 0.494 | S | S | . | . | trans | -58.5 | 112.2 | 164.7 | 161.6 | 0 | 0 | 0 | 0 | 108.3 | D136 K140 C534 | D136-C138 PolarHBondContact O-N 2.87Å; C138-K140 PolarHBondContact O-N 3.1Å; C138-K140 VanDerWaalsContact SG-CE 3.59Å; C138-K140 WeakPolarHBondContact SG-CG 3.43Å; C138-C534 HydrophobicContact CB-CB 4.08Å; C138-C534 WeakPolarHBondContact CB-SG 3.37Å; C138-C534 WeakPolarHBondContact SG-CB 3.38Å; C138-C534 CovalentContact SG-SG 1.99Å; C138-C534 PolarHBondContact SG-SG 2.87Å | ||
| 139 | P | 56.5 | Low | 62.7 | Low | 55 Ų | 55 | 77.4 Ų | 77.4 | 36% | 0.357 | 47% | 0.465 | S | S | . | . | trans | -81.3 | 42.6 | -174.1 | 27.8 | -22.6 | 0 | 0 | 0 | 112.2 | H137 A141 V142 H143 | H137-P139 WeakPolarHBondContact O-CD 3.32Å; H137-P139 VanDerWaalsContact O-N 3.13Å; P139-A141 PolarHBondContact O-N 2.93Å; P139-V142 HydrophobicContact CB-CB 4.04Å; P139-V142 HydrophobicContact CB-CG2 3.81Å; P139-V142 WeakPolarHBondContact O-CB 3.38Å; P139-V142 PolarHBondContact O-N 3.4Å; P139-H143 PolarHBondContact O-CD2 3.38Å; P139-H143 PolarHBondContact O-N 3.13Å | ||
| 140 | K | 55.1 | Low | 64.7 | Low | 101 Ų | 101 | 74.8 Ų | 74.8 | 44% | 0.439 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -50 | -39.4 | -179.9 | -58.4 | -156.1 | 176.7 | -170.7 | 0 | 112.3 | C138 V142 H143 G144 C534 D536 | C138-K140 PolarHBondContact O-N 3.1Å; C138-K140 VanDerWaalsContact SG-CE 3.59Å; C138-K140 WeakPolarHBondContact SG-CG 3.43Å; K140-V142 VanDerWaalsContact C-N 3.31Å; K140-V142 PolarHBondContact O-N 3.1Å; K140-H143 PolarHBondContact O-N 3.31Å; K140-G144 PolarHBondContact O-N 3.18Å; K140-C534 HydrophobicContact CD-CB 4.27Å; K140-C534 HydrophobicContact CG-CB 4.18Å; K140-C534 PolarHBondContact NZ-O 3.28Å; K140-D536 WeakPolarHBondContact CE-OD2 3.13Å; K140-D536 IonicContact NZ-OD2 2.66Å; K140-D536 PolarHBondContact NZ-OD2 3.38Å |
| 141 | A | 55.4 | Low | 66.8 | Low | 87 Ų | 87 | 70.2 Ų | 70.2 | 72% | 0.719 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -64.3 | -34.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | P139 G145 | P139-A141 PolarHBondContact O-N 2.93Å; A141-G145 PolarHBondContact O-N 3.37Å |
| 142 | V | 63.2 | Low | 69.1 | Low | 57 Ų | 57 | 71.6 Ų | 71.6 | 35% | 0.345 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -68 | -47.9 | 177.5 | 179.7 | 0 | 0 | 0 | 0 | 109.6 | F103 P139 K140 A146 | F103-V142 HydrophobicContact CB-CG1 3.68Å; F103-V142 HydrophobicContact CD1-CB 4.12Å; F103-V142 HydrophobicContact CD1-CG1 3.45Å; F103-V142 VanDerWaalsContact CD1-CG1 3.45Å; F103-V142 HydrophobicContact CE1-CG1 4.35Å; F103-V142 HydrophobicContact CG-CG1 3.8Å; P139-V142 HydrophobicContact CB-CB 4.04Å; P139-V142 HydrophobicContact CB-CG2 3.81Å; P139-V142 WeakPolarHBondContact O-CB 3.38Å; P139-V142 PolarHBondContact O-N 3.4Å; K140-V142 VanDerWaalsContact C-N 3.31Å; K140-V142 PolarHBondContact O-N 3.1Å; V142-A146 WeakPolarHBondContact O-CB 3.31Å; V142-A146 PolarHBondContact O-N 2.91Å; V142-A146 VanDerWaalsContact O-N 3.11Å |
| 143 | H | 74.5 | Confident | 71.6 | Confident | 39 Ų | 39 | 65.9 Ų | 65.9 | 18% | 0.181 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -68.5 | -46 | -179.4 | -63.4 | -78.6 | 0 | 0 | 0 | 112.6 | F44 E45 P139 K140 G145 A146 Y147 | F44-H143 PolarHBondContact O-ND1 3.34Å; E45-H143 IonicContact OE1-CE1 2.69Å; P139-H143 PolarHBondContact O-CD2 3.38Å; P139-H143 PolarHBondContact O-N 3.13Å; K140-H143 PolarHBondContact O-N 3.31Å; H143-G145 PolarHBondContact O-N 2.86Å; H143-A146 PolarHBondContact O-N 3.33Å; H143-Y147 PolarHBondContact O-N 3.5Å |
| 144 | G | 81.4 | Confident | 74.3 | Confident | 41 Ų | 41 | 58.8 Ų | 58.8 | 42% | 0.423 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.4 | -39 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | K140 A148 | K140-G144 PolarHBondContact O-N 3.18Å; G144-A148 WeakPolarHBondContact O-CB 3.45Å; G144-A148 PolarHBondContact O-N 3.17Å |
| 145 | G | 87 | Confident | 76.8 | Confident | 25 Ų | 25 | 55.6 Ų | 55.6 | 26% | 0.258 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.5 | -44.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | A141 H143 A148 I149 | A141-G145 PolarHBondContact O-N 3.37Å; H143-G145 PolarHBondContact O-N 2.86Å; G145-A148 PolarHBondContact O-N 2.93Å; G145-I149 WeakPolarHBondContact O-CG1 3.32Å; G145-I149 PolarHBondContact O-N 3.49Å |
| 146 | A | 89.2 | Confident | 79.3 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.6 | -50 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | F44 P99 F103 V142 H143 A148 I149 M150 | F44-A146 HydrophobicContact CD1-CB 3.38Å; F44-A146 HydrophobicContact CE1-CB 3.38Å; F44-A146 HydrophobicContact CG-CB 4.07Å; F44-A146 HydrophobicContact CZ-CB 4.06Å; P99-A146 HydrophobicContact CB-CB 4Å; F103-A146 HydrophobicContact CD2-CB 3.67Å; F103-A146 HydrophobicContact CE2-CB 3.61Å; F103-A146 HydrophobicContact CZ-CB 4.36Å; V142-A146 WeakPolarHBondContact O-CB 3.31Å; V142-A146 PolarHBondContact O-N 2.91Å; V142-A146 VanDerWaalsContact O-N 3.11Å; H143-A146 PolarHBondContact O-N 3.33Å; A146-A148 VanDerWaalsContact C-N 3.34Å; A146-A148 PolarHBondContact O-N 3.2Å; A146-I149 PolarHBondContact O-N 2.83Å; A146-M150 VanDerWaalsContact O-CG 3.31Å; A146-M150 WeakPolarHBondContact O-CG 3.38Å; A146-M150 PolarHBondContact O-N 3.06Å |
| 147 | Y | 91.3 | Very high | 81.8 | Confident | 41 Ų | 41 | 47.6 Ų | 47.6 | 16% | 0.161 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.7 | -42.9 | 178.4 | -178.8 | -108.2 | 0 | 0 | 0 | 112.2 | I46 M50 L54 H143 I149 M150 I151 | I46-Y147 HydrophobicContact CD1-CD2 4.47Å; I46-Y147 HydrophobicContact CG2-CD2 3.96Å; I46-Y147 HydrophobicContact CG2-CG 4.46Å; M50-Y147 HydrophobicContact CB-CE2 4.03Å; M50-Y147 HydrophobicContact CE-CD1 3.64Å; M50-Y147 HydrophobicContact CE-CD2 3.92Å; M50-Y147 HydrophobicContact CE-CE1 3.56Å; M50-Y147 HydrophobicContact CE-CE2 3.85Å; M50-Y147 HydrophobicContact CE-CG 3.81Å; M50-Y147 PolarHBondContact O-OH 3.5Å; L54-Y147 HydrophobicContact CB-CE2 4.36Å; H143-Y147 PolarHBondContact O-N 3.5Å; Y147-I149 PolarHBondContact O-N 3.17Å; Y147-M150 PolarHBondContact O-N 3.1Å; Y147-I151 HydrophobicContact CD1-CG1 4.17Å; Y147-I151 HydrophobicContact CD2-CG1 4.35Å; Y147-I151 HydrophobicContact CE1-CD1 4.24Å; Y147-I151 HydrophobicContact CE1-CG1 3.78Å; Y147-I151 HydrophobicContact CE2-CD1 4.15Å; Y147-I151 HydrophobicContact CE2-CG1 3.98Å; Y147-I151 HydrophobicContact CG-CG1 4.44Å; Y147-I151 WeakPolarHBondContact O-CB 3.31Å; Y147-I151 WeakPolarHBondContact O-CG1 3.47Å; Y147-I151 PolarHBondContact O-N 2.73Å |
| 148 | A | 92.5 | Very high | 84.1 | Confident | 48 Ų | 48 | 39.7 Ų | 39.7 | 40% | 0.397 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.6 | -43.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | G144 G145 A146 M150 I151 L152 | G144-A148 WeakPolarHBondContact O-CB 3.45Å; G144-A148 PolarHBondContact O-N 3.17Å; G145-A148 PolarHBondContact O-N 2.93Å; A146-A148 VanDerWaalsContact C-N 3.34Å; A146-A148 PolarHBondContact O-N 3.2Å; A148-M150 VanDerWaalsContact C-N 3.35Å; A148-I151 PolarHBondContact O-N 3.16Å; A148-L152 VanDerWaalsContact O-CG 3.31Å; A148-L152 WeakPolarHBondContact O-CG 3.31Å; A148-L152 PolarHBondContact O-N 3.3Å |
| 149 | I | 94.8 | Very high | 86 | Confident | 43 Ų | 43 | 40.5 Ų | 40.5 | 22% | 0.221 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.2 | -45.7 | 175.5 | -70.7 | 164.5 | 0 | 0 | 0 | 110.4 | L95 L98 P99 F103 G145 A146 Y147 L152 A153 | L95-I149 WeakPolarHBondContact O-CG2 3.24Å; L98-I149 HydrophobicContact CD2-CG2 4.36Å; P99-I149 HydrophobicContact CG-CB 4.32Å; P99-I149 HydrophobicContact CG-CG2 3.96Å; F103-I149 HydrophobicContact CE2-CD1 3.92Å; F103-I149 HydrophobicContact CZ-CD1 4.15Å; G145-I149 WeakPolarHBondContact O-CG1 3.32Å; G145-I149 PolarHBondContact O-N 3.49Å; A146-I149 PolarHBondContact O-N 2.83Å; Y147-I149 PolarHBondContact O-N 3.17Å; I149-L152 PolarHBondContact O-N 3.15Å; I149-A153 VanDerWaalsContact O-CB 3.28Å; I149-A153 WeakPolarHBondContact O-CB 3.41Å; I149-A153 PolarHBondContact O-N 3.12Å |
| 150 | M | 94.9 | Very high | 87.8 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.8 | -41.9 | -179.3 | -65.2 | -176.8 | 79 | 0 | 0 | 112 | I40 F44 L54 L96 P99 A146 Y147 A148 A153 Q154 W223 | I40-M150 HydrophobicContact CD1-CE 3.76Å; I40-M150 HydrophobicContact CG1-CE 4.11Å; I40-M150 HydrophobicContact CG2-CE 3.69Å; I40-M150 HydrophobicContact CG2-SD 4.04Å; F44-M150 HydrophobicContact CD2-SD 4Å; F44-M150 HydrophobicContact CE2-SD 3.86Å; L54-M150 HydrophobicContact CD1-CB 3.64Å; L54-M150 HydrophobicContact CD2-CE 4.13Å; L96-M150 HydrophobicContact CD2-CB 4.31Å; L96-M150 HydrophobicContact CD2-CE 4.47Å; P99-M150 HydrophobicContact CG-CG 3.8Å; P99-M150 HydrophobicContact CG-SD 4.45Å; A146-M150 VanDerWaalsContact O-CG 3.31Å; A146-M150 WeakPolarHBondContact O-CG 3.38Å; A146-M150 PolarHBondContact O-N 3.06Å; Y147-M150 PolarHBondContact O-N 3.1Å; A148-M150 VanDerWaalsContact C-N 3.35Å; M150-A153 PolarHBondContact O-N 3.43Å; M150-Q154 VanDerWaalsContact O-CG 3.3Å; M150-Q154 WeakPolarHBondContact O-CG 3.4Å; M150-Q154 PolarHBondContact O-N 3.31Å; M150-W223 HydrophobicContact CE-CZ3 4.3Å |
| 151 | I | 95.9 | Very high | 89.7 | Confident | 31 Ų | 31 | 33.2 Ų | 33.2 | 16% | 0.159 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.3 | -47.7 | 175.3 | -76.1 | -76.9 | 0 | 0 | 0 | 111.4 | T53 L54 M57 Y147 A148 A153 Q154 L155 | T53-I151 HydrophobicContact CG2-CD1 4.44Å; L54-I151 HydrophobicContact CB-CD1 4.23Å; L54-I151 HydrophobicContact CD1-CD1 4.01Å; L54-I151 HydrophobicContact CD1-CG1 4.07Å; M57-I151 HydrophobicContact CG-CD1 3.63Å; M57-I151 HydrophobicContact CG-CG2 4.09Å; M57-I151 HydrophobicContact SD-CG2 4.5Å; Y147-I151 HydrophobicContact CD1-CG1 4.17Å; Y147-I151 HydrophobicContact CD2-CG1 4.35Å; Y147-I151 HydrophobicContact CE1-CD1 4.24Å; Y147-I151 HydrophobicContact CE1-CG1 3.78Å; Y147-I151 HydrophobicContact CE2-CD1 4.15Å; Y147-I151 HydrophobicContact CE2-CG1 3.98Å; Y147-I151 HydrophobicContact CG-CG1 4.44Å; Y147-I151 WeakPolarHBondContact O-CB 3.31Å; Y147-I151 WeakPolarHBondContact O-CG1 3.47Å; Y147-I151 PolarHBondContact O-N 2.73Å; A148-I151 PolarHBondContact O-N 3.16Å; I151-A153 VanDerWaalsContact C-N 3.3Å; I151-A153 PolarHBondContact O-N 2.64Å; I151-Q154 PolarHBondContact O-N 3.07Å; I151-L155 PolarHBondContact O-N 3.23Å |
| 152 | L | 96.8 | Very high | 91.3 | Very high | 113 Ų | 113 | 29 Ų | 29 | 59% | 0.592 | 17% | 0.173 | S | C | * | . | H | α-helix | trans | -64.7 | -37.7 | 177.8 | -69.8 | 172.7 | 0 | 0 | 0 | 111.6 | A148 I149 L156 | A148-L152 VanDerWaalsContact O-CG 3.31Å; A148-L152 WeakPolarHBondContact O-CG 3.31Å; A148-L152 PolarHBondContact O-N 3.3Å; I149-L152 PolarHBondContact O-N 3.15Å; L152-L156 WeakPolarHBondContact O-CB 3.41Å; L152-L156 PolarHBondContact O-N 2.92Å |
| 153 | A | 97.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -68.4 | -39.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L95 L96 I149 M150 I151 L156 A157 | L95-A153 HydrophobicContact CB-CB 3.59Å; L96-A153 HydrophobicContact CD2-CB 3.76Å; L96-A153 HydrophobicContact CG-CB 3.7Å; I149-A153 VanDerWaalsContact O-CB 3.28Å; I149-A153 WeakPolarHBondContact O-CB 3.41Å; I149-A153 PolarHBondContact O-N 3.12Å; M150-A153 PolarHBondContact O-N 3.43Å; I151-A153 VanDerWaalsContact C-N 3.3Å; I151-A153 PolarHBondContact O-N 2.64Å; A153-L156 PolarHBondContact O-N 3.23Å; A153-A157 WeakPolarHBondContact O-CB 3.35Å; A153-A157 PolarHBondContact O-N 2.93Å |
| 154 | Q | 97.2 | Very high | 93.2 | Very high | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.3 | -48.5 | 172.8 | -76.2 | -62.1 | -40.6 | 0 | 0 | 111.8 | Y29 L54 M57 Y58 L96 M150 I151 L156 A157 G158 | Y29-Q154 PolarHBondContact OH-NE2 2.94Å; Y29-Q154 PolarHBondContact OH-OE1 3.06Å; L54-Q154 HydrophobicContact CD1-CB 4.4Å; L54-Q154 HydrophobicContact CD1-CG 3.46Å; L54-Q154 VanDerWaalsContact CD1-CG 3.46Å; L54-Q154 HydrophobicContact CG-CG 3.9Å; L54-Q154 VanDerWaalsContact O-CG 3.3Å; L54-Q154 WeakPolarHBondContact O-CG 3.37Å; M57-Q154 HydrophobicContact CB-CB 3.77Å; Y58-Q154 WeakPolarHBondContact CA-O 3.44Å; L96-Q154 HydrophobicContact CD2-CG 4.24Å; M150-Q154 VanDerWaalsContact O-CG 3.3Å; M150-Q154 WeakPolarHBondContact O-CG 3.4Å; M150-Q154 PolarHBondContact O-N 3.31Å; I151-Q154 PolarHBondContact O-N 3.07Å; Q154-L156 VanDerWaalsContact C-N 3.31Å; Q154-L156 PolarHBondContact O-N 3.03Å; Q154-A157 WeakPolarHBondContact O-CB 3.34Å; Q154-A157 PolarHBondContact O-N 3.15Å; Q154-G158 PolarHBondContact O-N 3.45Å |
| 155 | L | 96.9 | Very high | 93.5 | Very high | 56 Ų | 56 | 24 Ų | 24 | 29% | 0.293 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -58.8 | -45 | 176.9 | -174.1 | 70 | 0 | 0 | 0 | 111.1 | M57 I60 I151 G158 I159 | M57-L155 HydrophobicContact CB-CB 4.49Å; I60-L155 HydrophobicContact CG2-CD1 4.3Å; I151-L155 PolarHBondContact O-N 3.23Å; L155-G158 PolarHBondContact O-N 3.46Å; L155-I159 HydrophobicContact CG-CD1 4.02Å; L155-I159 VanDerWaalsContact O-CG1 3.28Å; L155-I159 WeakPolarHBondContact O-CG1 3.39Å; L155-I159 PolarHBondContact O-N 3Å |
| 156 | L | 97.4 | Very high | 93.4 | Very high | 42 Ų | 42 | 24 Ų | 24 | 22% | 0.22 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -64.6 | -39.8 | 177.1 | -171.1 | 65.4 | 0 | 0 | 0 | 112.5 | L88 V91 A92 L95 L152 A153 Q154 G158 I159 S160 | L88-L156 HydrophobicContact CD1-CD1 3.92Å; L88-L156 HydrophobicContact CD1-CD2 4.2Å; L88-L156 HydrophobicContact CD1-CG 4.31Å; L88-L156 HydrophobicContact CD2-CD1 3.9Å; L88-L156 HydrophobicContact CG-CD1 3.88Å; L88-L156 HydrophobicContact CG-CG 4.19Å; V91-L156 HydrophobicContact CG1-CD2 4.3Å; A92-L156 HydrophobicContact CB-CB 4.11Å; A92-L156 HydrophobicContact CB-CD2 4.08Å; A92-L156 HydrophobicContact CB-CG 4.07Å; L95-L156 HydrophobicContact CD1-CD2 3.94Å; L152-L156 WeakPolarHBondContact O-CB 3.41Å; L152-L156 PolarHBondContact O-N 2.92Å; A153-L156 PolarHBondContact O-N 3.23Å; Q154-L156 VanDerWaalsContact C-N 3.31Å; Q154-L156 PolarHBondContact O-N 3.03Å; L156-G158 VanDerWaalsContact C-N 3.29Å; L156-G158 PolarHBondContact O-N 3.32Å; L156-I159 PolarHBondContact O-N 3.14Å; L156-S160 WeakPolarHBondContact O-CB 3.05Å; L156-S160 PolarHBondContact O-N 2.89Å; L156-S160 PolarHBondContact O-OG 2.91Å |
| 157 | A | 97.2 | Very high | 93.2 | Very high | 3 Ų | 3 | 24.4 Ų | 24.4 | 3% | 0.025 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.2 | -41.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111 | Y29 Y58 A92 M93 A153 Q154 S160 A161 | Y29-A157 HydrophobicContact CE1-CB 4.34Å; Y58-A157 HydrophobicContact CD2-CB 3.93Å; Y58-A157 HydrophobicContact CE2-CB 4.24Å; A92-A157 HydrophobicContact CB-CB 3.86Å; M93-A157 HydrophobicContact CE-CB 3.75Å; A153-A157 WeakPolarHBondContact O-CB 3.35Å; A153-A157 PolarHBondContact O-N 2.93Å; Q154-A157 WeakPolarHBondContact O-CB 3.34Å; Q154-A157 PolarHBondContact O-N 3.15Å; A157-S160 WeakPolarHBondContact CA-OG 3.48Å; A157-S160 PolarHBondContact O-OG 3.47Å; A157-A161 WeakPolarHBondContact O-CB 3.29Å; A157-A161 PolarHBondContact O-N 2.69Å |
| 158 | G | 96 | Very high | 92.9 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.3 | -52.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y58 H62 Q154 L155 L156 S160 A161 | Y58-G158 VanDerWaalsContact O-CA 3.31Å; Y58-G158 WeakPolarHBondContact O-CA 3.26Å; H62-G158 VanDerWaalsContact CA-O 3.26Å; H62-G158 WeakPolarHBondContact CA-O 3.49Å; Q154-G158 PolarHBondContact O-N 3.45Å; L155-G158 PolarHBondContact O-N 3.46Å; L156-G158 VanDerWaalsContact C-N 3.29Å; L156-G158 PolarHBondContact O-N 3.32Å; G158-S160 VanDerWaalsContact C-N 3.32Å; G158-S160 PolarHBondContact O-N 3.45Å; G158-A161 PolarHBondContact O-N 2.98Å |
| 159 | I | 94.9 | Very high | 92.5 | Very high | 67 Ų | 67 | 22.1 Ų | 22.1 | 34% | 0.344 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -58.2 | -45.4 | -179.9 | -65.7 | 164 | 0 | 0 | 0 | 111.3 | S65 L155 L156 A161 A162 | S65-I159 WeakPolarHBondContact OG-CA 3.5Å; S65-I159 WeakPolarHBondContact OG-CB 3.42Å; S65-I159 VanDerWaalsContact OG-CG1 3.29Å; S65-I159 WeakPolarHBondContact OG-CG1 3.47Å; S65-I159 WeakPolarHBondContact OG-CG2 3.26Å; L155-I159 HydrophobicContact CG-CD1 4.02Å; L155-I159 VanDerWaalsContact O-CG1 3.28Å; L155-I159 WeakPolarHBondContact O-CG1 3.39Å; L155-I159 PolarHBondContact O-N 3Å; L156-I159 PolarHBondContact O-N 3.14Å; I159-A161 VanDerWaalsContact C-N 3.28Å; I159-A161 PolarHBondContact O-N 2.86Å; I159-A162 PolarHBondContact O-N 3.11Å |
| 160 | S | 95 | Very high | 91.9 | Very high | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.007 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -69.6 | -23.2 | -177.3 | 63.5 | 0 | 0 | 0 | 0 | 114 | G85 S89 L156 A157 G158 P163 F164 | G85-S160 CarbonylContact C-O 3.4Å; G85-S160 VanDerWaalsContact CA-O 3.3Å; G85-S160 WeakPolarHBondContact CA-O 3.36Å; G85-S160 WeakPolarHBondContact O-CB 3.31Å; S89-S160 VanDerWaalsContact CA-OG 3.31Å; S89-S160 WeakPolarHBondContact CA-OG 3.41Å; S89-S160 PolarHBondContact N-OG 3.37Å; S89-S160 WeakPolarHBondContact OG-CB 3.48Å; S89-S160 PolarHBondContact OG-OG 3.4Å; L156-S160 WeakPolarHBondContact O-CB 3.05Å; L156-S160 PolarHBondContact O-N 2.89Å; L156-S160 PolarHBondContact O-OG 2.91Å; A157-S160 WeakPolarHBondContact CA-OG 3.48Å; A157-S160 PolarHBondContact O-OG 3.47Å; G158-S160 VanDerWaalsContact C-N 3.32Å; G158-S160 PolarHBondContact O-N 3.45Å; S160-P163 WeakPolarHBondContact O-CD 3.44Å; S160-F164 VanDerWaalsContact O-CE1 3.25Å; S160-F164 WeakPolarHBondContact O-CE1 2.95Å |
| 161 | A | 93.9 | Very high | 91.3 | Very high | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.008 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -76.8 | -27 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y58 A157 G158 I159 F164 N165 | Y58-A161 HydrophobicContact CE2-CB 4.43Å; A157-A161 WeakPolarHBondContact O-CB 3.29Å; A157-A161 PolarHBondContact O-N 2.69Å; G158-A161 PolarHBondContact O-N 2.98Å; I159-A161 VanDerWaalsContact C-N 3.28Å; I159-A161 PolarHBondContact O-N 2.86Å; A161-F164 VanDerWaalsContact CA-CE1 3.49Å; A161-F164 HydrophobicContact CB-CE1 4.28Å; A161-F164 HydrophobicContact CB-CE2 3.93Å; A161-F164 HydrophobicContact CB-CZ 3.66Å; A161-F164 PolarHBondContact O-N 3.46Å; A161-N165 WeakPolarHBondContact O-CB 3.43Å; A161-N165 PolarHBondContact O-N 3.06Å; A161-N165 PolarHBondContact O-ND2 3.04Å; A161-N165 VanDerWaalsContact O-ND2 3.16Å |
| 162 | A | 89.4 | Confident | 90.7 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -54.6 | -46.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | V66 V69 I159 F164 N165 T166 | V66-A162 HydrophobicContact CB-CB 4.44Å; V66-A162 HydrophobicContact CG2-CB 3.7Å; V69-A162 HydrophobicContact CG2-CB 4.15Å; I159-A162 PolarHBondContact O-N 3.11Å; A162-F164 PolarHBondContact O-N 3.29Å; A162-N165 PolarHBondContact O-N 2.99Å; A162-T166 WeakPolarHBondContact O-CB 3.5Å; A162-T166 WeakPolarHBondContact O-CG2 3.37Å; A162-T166 PolarHBondContact O-N 3.44Å; A162-T166 VanDerWaalsContact O-N 3.11Å; A162-T166 PolarHBondContact O-OG1 2.91Å |
| 163 | P | 88.1 | Confident | 89.8 | Confident | 13 Ų | 13 | 20 Ų | 20 | 8% | 0.084 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -58.5 | -45.8 | 178.8 | -26.7 | 36.3 | 0 | 0 | 0 | 114.6 | V69 V81 S160 N165 T166 I167 | V69-P163 HydrophobicContact CG2-CG 4.24Å; V81-P163 HydrophobicContact CG1-CB 4.2Å; S160-P163 WeakPolarHBondContact O-CD 3.44Å; P163-N165 VanDerWaalsContact C-N 3.32Å; P163-T166 PolarHBondContact O-N 2.86Å; P163-I167 WeakPolarHBondContact O-CA 3.11Å; P163-I167 VanDerWaalsContact O-CB 3.27Å; P163-I167 WeakPolarHBondContact O-CB 3.18Å; P163-I167 PolarHBondContact O-N 2.86Å |
| 164 | F | 89.8 | Confident | 88.9 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -81.3 | -14.2 | -178.8 | 56.6 | -105.4 | 0 | 0 | 0 | 113.6 | M19 V22 Q26 I82 V86 S89 S160 A161 A162 A168 | M19-F164 HydrophobicContact CE-CB 3.64Å; V22-F164 HydrophobicContact CG1-CD1 4.5Å; V22-F164 HydrophobicContact CG1-CD2 4.05Å; V22-F164 HydrophobicContact CG1-CE2 4.21Å; V22-F164 HydrophobicContact CG1-CG 4.19Å; V22-F164 HydrophobicContact CG1-CZ 4.46Å; Q26-F164 HydrophobicContact CB-CE2 4.29Å; Q26-F164 HydrophobicContact CG-CE2 4.36Å; I82-F164 HydrophobicContact CG2-CB 4.03Å; V86-F164 HydrophobicContact CG2-CD1 3.82Å; V86-F164 HydrophobicContact CG2-CE1 4.24Å; V86-F164 HydrophobicContact CG2-CG 4.43Å; S89-F164 WeakPolarHBondContact OG-CE1 3.21Å; S160-F164 VanDerWaalsContact O-CE1 3.25Å; S160-F164 WeakPolarHBondContact O-CE1 2.95Å; A161-F164 VanDerWaalsContact CA-CE1 3.49Å; A161-F164 HydrophobicContact CB-CE1 4.28Å; A161-F164 HydrophobicContact CB-CE2 3.93Å; A161-F164 HydrophobicContact CB-CZ 3.66Å; A161-F164 PolarHBondContact O-N 3.46Å; A162-F164 PolarHBondContact O-N 3.29Å; F164-A168 WeakPolarHBondContact O-CB 3.27Å |
| 165 | N | 88.2 | Confident | 88.2 | Confident | 18 Ų | 18 | 25.2 Ų | 25.2 | 10% | 0.096 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -85.9 | -14.1 | 172.1 | -65.9 | -20.1 | 0 | 0 | 0 | 113.6 | Q26 H62 A161 A162 P163 Y169 Y192 | Q26-N165 PolarHBondContact NE2-ND2 3.01Å; Q26-N165 PolarHBondContact OE1-ND2 3.23Å; Q26-N165 PolarHBondContact OE1-OD1 2.87Å; H62-N165 PolarHBondContact NE2-ND2 3.06Å; A161-N165 WeakPolarHBondContact O-CB 3.43Å; A161-N165 PolarHBondContact O-N 3.06Å; A161-N165 PolarHBondContact O-ND2 3.04Å; A161-N165 VanDerWaalsContact O-ND2 3.16Å; A162-N165 PolarHBondContact O-N 2.99Å; P163-N165 VanDerWaalsContact C-N 3.32Å; N165-Y169 WeakPolarHBondContact O-CD2 3.46Å; N165-Y192 PolarHBondContact ND2-OH 2.82Å; N165-Y192 VanDerWaalsContact ND2-OH 3.17Å; N165-Y192 PolarHBondContact OD1-OH 2.61Å |
| 166 | T | 84.1 | Confident | 87.3 | Confident | 26 Ų | 26 | 23.6 Ų | 23.6 | 16% | 0.16 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -119.5 | -66 | -177 | 54.8 | 0 | 0 | 0 | 0 | 111.3 | V66 A162 P163 A168 Y169 I170 | V66-T166 HydrophobicContact CB-CG2 4.2Å; V66-T166 HydrophobicContact CG1-CG2 3.7Å; V66-T166 HydrophobicContact CG2-CG2 3.86Å; A162-T166 WeakPolarHBondContact O-CB 3.5Å; A162-T166 WeakPolarHBondContact O-CG2 3.37Å; A162-T166 PolarHBondContact O-N 3.44Å; A162-T166 VanDerWaalsContact O-N 3.11Å; A162-T166 PolarHBondContact O-OG1 2.91Å; P163-T166 PolarHBondContact O-N 2.86Å; T166-A168 VanDerWaalsContact C-N 3.27Å; T166-A168 PolarHBondContact O-N 3.5Å; T166-Y169 WeakPolarHBondContact O-CB 3.4Å; T166-Y169 PolarHBondContact O-N 2.81Å; T166-I170 WeakPolarHBondContact O-CG1 3.47Å; T166-I170 PolarHBondContact O-N 3.45Å |
| 167 | I | 84.3 | Confident | 86.3 | Confident | 7 Ų | 7 | 24.4 Ų | 24.4 | 4% | 0.036 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64 | -33.2 | -174.3 | -57.8 | 179.3 | 0 | 0 | 0 | 111.3 | V69 K78 V81 I82 P163 I170 Y171 | V69-I167 HydrophobicContact CG1-CD1 3.62Å; V69-I167 HydrophobicContact CG1-CG1 3.83Å; K78-I167 HydrophobicContact CB-CG2 3.47Å; K78-I167 VanDerWaalsContact CB-CG2 3.47Å; K78-I167 HydrophobicContact CD-CG2 4.07Å; K78-I167 HydrophobicContact CG-CG2 3.61Å; V81-I167 HydrophobicContact CB-CD1 4.1Å; V81-I167 HydrophobicContact CG1-CD1 3.67Å; I82-I167 HydrophobicContact CD1-CB 4.38Å; I82-I167 HydrophobicContact CD1-CG2 4.05Å; I82-I167 HydrophobicContact CG1-CB 4.12Å; I82-I167 HydrophobicContact CG1-CG2 4.08Å; P163-I167 WeakPolarHBondContact O-CA 3.11Å; P163-I167 VanDerWaalsContact O-CB 3.27Å; P163-I167 WeakPolarHBondContact O-CB 3.18Å; P163-I167 PolarHBondContact O-N 2.86Å; I167-I170 PolarHBondContact O-N 2.65Å; I167-Y171 VanDerWaalsContact O-CB 3.3Å; I167-Y171 WeakPolarHBondContact O-CB 3.21Å; I167-Y171 PolarHBondContact O-N 2.91Å |
| 168 | A | 85.1 | Confident | 85 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.1 | -39.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | M19 I82 F164 T166 Y171 I172 | M19-A168 HydrophobicContact CE-CB 3.68Å; M19-A168 HydrophobicContact CG-CB 4.25Å; M19-A168 HydrophobicContact SD-CB 4.27Å; I82-A168 HydrophobicContact CD1-CB 3.78Å; I82-A168 HydrophobicContact CG1-CB 4.39Å; F164-A168 WeakPolarHBondContact O-CB 3.27Å; T166-A168 VanDerWaalsContact C-N 3.27Å; T166-A168 PolarHBondContact O-N 3.5Å; A168-Y171 PolarHBondContact O-N 2.93Å; A168-I172 WeakPolarHBondContact O-CB 3.48Å; A168-I172 WeakPolarHBondContact O-CG1 3.36Å; A168-I172 PolarHBondContact O-N 3.42Å |
| 169 | Y | 84 | Confident | 83.7 | Confident | 41 Ų | 41 | 42 Ų | 42 | 16% | 0.161 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.4 | -48.6 | 175.8 | -78.1 | -110.6 | 0 | 0 | 0 | 110.3 | I23 N165 T166 Y171 I172 D173 L185 L188 T189 | I23-Y169 HydrophobicContact CD1-CE2 3.92Å; N165-Y169 WeakPolarHBondContact O-CD2 3.46Å; T166-Y169 WeakPolarHBondContact O-CB 3.4Å; T166-Y169 PolarHBondContact O-N 2.81Å; Y169-Y171 VanDerWaalsContact C-N 3.34Å; Y169-Y171 PolarHBondContact O-N 3.01Å; Y169-I172 PolarHBondContact O-N 3.45Å; Y169-D173 WeakPolarHBondContact O-CB 3.47Å; Y169-D173 PolarHBondContact O-N 3.03Å; Y169-L185 HydrophobicContact CD1-CD2 3.76Å; Y169-L185 HydrophobicContact CG-CD2 4.37Å; Y169-L188 HydrophobicContact CD1-CD1 4.33Å; Y169-L188 HydrophobicContact CE1-CB 3.94Å; Y169-L188 HydrophobicContact CE1-CD1 4.24Å; Y169-L188 HydrophobicContact CE2-CB 4.26Å; Y169-L188 HydrophobicContact CE2-CD1 4.46Å; Y169-L188 HydrophobicContact CG-CD1 4.45Å; Y169-L188 WeakPolarHBondContact OH-CB 3.47Å; Y169-T189 HydrophobicContact CE1-CG2 3.78Å; Y169-T189 PolarHBondContact OH-N 3.41Å |
| 170 | I | 82.2 | Confident | 82.7 | Confident | 80 Ų | 80 | 42.7 Ų | 42.7 | 41% | 0.41 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -62.2 | -43.3 | 178.2 | -55.6 | 169.9 | 0 | 0 | 0 | 110.6 | T166 I167 I172 D173 D174 | T166-I170 WeakPolarHBondContact O-CG1 3.47Å; T166-I170 PolarHBondContact O-N 3.45Å; I167-I170 PolarHBondContact O-N 2.65Å; I170-I172 VanDerWaalsContact C-N 3.3Å; I170-I172 PolarHBondContact O-N 2.97Å; I170-D173 PolarHBondContact O-N 2.72Å; I170-D174 WeakPolarHBondContact O-CB 3.3Å; I170-D174 PolarHBondContact O-N 3.07Å |
| 171 | Y | 82.8 | Confident | 81.7 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 0% | 0.004 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.3 | -35.9 | 179 | -178 | -96.1 | 0 | 0 | 0 | 112.2 | I12 F15 K78 P79 I167 A168 Y169 N175 P245 F248 | I12-Y171 HydrophobicContact CD1-CD1 4.21Å; I12-Y171 HydrophobicContact CD1-CE1 3.96Å; F15-Y171 AromaticContact CD1-CD1 3.74Å; F15-Y171 HydrophobicContact CD1-CD1 3.74Å; F15-Y171 AromaticContact CD1-CE1 3.91Å; F15-Y171 HydrophobicContact CD1-CE1 3.91Å; F15-Y171 HydrophobicContact CD2-CD1 4.42Å; F15-Y171 HydrophobicContact CD2-CE1 4.02Å; F15-Y171 AromaticContact CE1-CD1 3.38Å; F15-Y171 HydrophobicContact CE1-CD1 3.38Å; F15-Y171 AromaticContact CE1-CE1 3.92Å; F15-Y171 HydrophobicContact CE1-CE1 3.92Å; F15-Y171 HydrophobicContact CE1-CG 4.39Å; F15-Y171 HydrophobicContact CE2-CD1 4.1Å; F15-Y171 HydrophobicContact CE2-CE1 4.01Å; F15-Y171 HydrophobicContact CG-CD1 4.25Å; F15-Y171 AromaticContact CG-CE1 3.96Å; F15-Y171 HydrophobicContact CG-CE1 3.96Å; F15-Y171 AromaticContact CZ-CD1 3.57Å; F15-Y171 HydrophobicContact CZ-CD1 3.57Å; F15-Y171 AromaticContact CZ-CE1 3.96Å; F15-Y171 HydrophobicContact CZ-CE1 3.96Å; F15-Y171 HydrophobicContact CZ-CG 4.41Å; K78-Y171 HydrophobicContact CB-CD2 3.85Å; K78-Y171 HydrophobicContact CB-CG 4.42Å; K78-Y171 HydrophobicContact CD-CD2 4.18Å; P79-Y171 HydrophobicContact CG-CD2 4.17Å; P79-Y171 HydrophobicContact CG-CE1 4.26Å; P79-Y171 HydrophobicContact CG-CE2 3.61Å; I167-Y171 VanDerWaalsContact O-CB 3.3Å; I167-Y171 WeakPolarHBondContact O-CB 3.21Å; I167-Y171 PolarHBondContact O-N 2.91Å; A168-Y171 PolarHBondContact O-N 2.93Å; Y169-Y171 VanDerWaalsContact C-N 3.34Å; Y169-Y171 PolarHBondContact O-N 3.01Å; Y171-N175 PolarHBondContact O-N 2.65Å; Y171-N175 PolarHBondContact O-ND2 3.09Å; Y171-P245 PolarHBondContact OH-O 3.3Å; Y171-F248 HydrophobicContact CE1-CE2 4.23Å; Y171-F248 WeakPolarHBondContact OH-CE2 3.49Å |
| 172 | I | 83.6 | Confident | 80.7 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -70.3 | -46.5 | 176.2 | -71.8 | 167.4 | 0 | 0 | 0 | 110.6 | I12 F15 M19 A168 Y169 I170 D174 N175 V176 Y184 L188 | I12-I172 HydrophobicContact CD1-CG1 4.3Å; F15-I172 HydrophobicContact CD1-CD1 3.9Å; F15-I172 HydrophobicContact CD1-CG1 3.65Å; F15-I172 HydrophobicContact CE1-CD1 3.89Å; F15-I172 HydrophobicContact CE1-CG1 3.72Å; M19-I172 HydrophobicContact CB-CD1 4.4Å; M19-I172 HydrophobicContact CG-CD1 4.37Å; A168-I172 WeakPolarHBondContact O-CB 3.48Å; A168-I172 WeakPolarHBondContact O-CG1 3.36Å; A168-I172 PolarHBondContact O-N 3.42Å; Y169-I172 PolarHBondContact O-N 3.45Å; I170-I172 VanDerWaalsContact C-N 3.3Å; I170-I172 PolarHBondContact O-N 2.97Å; I172-D174 PolarHBondContact O-N 3.44Å; I172-N175 PolarHBondContact O-N 2.84Å; I172-V176 HydrophobicContact CG2-CG2 4.13Å; I172-V176 WeakPolarHBondContact O-CB 3.32Å; I172-V176 VanDerWaalsContact O-CG2 3.24Å; I172-V176 WeakPolarHBondContact O-CG2 3.4Å; I172-V176 PolarHBondContact O-N 3.09Å; I172-V176 VanDerWaalsContact O-N 3.11Å; I172-Y184 HydrophobicContact CG2-CG 4.31Å; I172-L188 HydrophobicContact CD1-CD1 3.51Å; I172-L188 HydrophobicContact CD1-CD2 4.12Å; I172-L188 HydrophobicContact CD1-CG 4.32Å |
| 173 | D | 78 | Confident | 80.3 | Confident | 62 Ų | 62 | 53.7 Ų | 53.7 | 33% | 0.332 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -58.9 | -45.4 | 177.5 | -169.5 | 49.7 | 0 | 0 | 0 | 112.1 | Y169 I170 N175 S181 | Y169-D173 WeakPolarHBondContact O-CB 3.47Å; Y169-D173 PolarHBondContact O-N 3.03Å; I170-D173 PolarHBondContact O-N 2.72Å; D173-N175 PolarHBondContact O-N 3.24Å; D173-S181 VanDerWaalsContact OD1-CB 3.28Å; D173-S181 WeakPolarHBondContact OD1-CB 3.32Å; D173-S181 PolarHBondContact OD1-OG 3.23Å |
| 174 | D | 79.5 | Confident | 79.9 | Confident | 83 Ų | 83 | 54.7 Ų | 54.7 | 44% | 0.444 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.4 | -23.4 | 179.6 | -75.2 | -13.7 | 0 | 0 | 0 | 114.5 | K78 I170 I172 | K78-D174 IonicContact NZ-OD2 3.03Å; K78-D174 PolarHBondContact NZ-OD2 2.97Å; I170-D174 WeakPolarHBondContact O-CB 3.3Å; I170-D174 PolarHBondContact O-N 3.07Å; I172-D174 PolarHBondContact O-N 3.44Å |
| 175 | N | 81.4 | Confident | 79.3 | Confident | 29 Ų | 29 | 56.8 Ų | 56.8 | 16% | 0.155 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -116.2 | 3.7 | -171.6 | -67.3 | -88 | 0 | 0 | 0 | 113.5 | I12 Y171 I172 D173 F248 | I12-N175 HydrophobicContact CD1-CB 3.79Å; I12-N175 HydrophobicContact CG1-CB 4.03Å; Y171-N175 PolarHBondContact O-N 2.65Å; Y171-N175 PolarHBondContact O-ND2 3.09Å; I172-N175 PolarHBondContact O-N 2.84Å; D173-N175 PolarHBondContact O-N 3.24Å; N175-F248 HydrophobicContact CB-CD2 3.87Å; N175-F248 WeakPolarHBondContact OD1-CD2 3.5Å; N175-F248 PolarHBondContact OD1-N 3.1Å |
| 176 | V | 78.9 | Confident | 78.7 | Confident | 22 Ų | 22 | 57.7 Ų | 57.7 | 13% | 0.133 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -112.9 | 155 | 175.5 | 176.3 | 0 | 0 | 0 | 0 | 109.1 | I12 I172 D180 Y184 | I12-V176 HydrophobicContact CB-CG2 4.49Å; I12-V176 HydrophobicContact CG1-CG2 3.57Å; I12-V176 HydrophobicContact CG2-CG2 4.05Å; I172-V176 HydrophobicContact CG2-CG2 4.13Å; I172-V176 WeakPolarHBondContact O-CB 3.32Å; I172-V176 VanDerWaalsContact O-CG2 3.24Å; I172-V176 WeakPolarHBondContact O-CG2 3.4Å; I172-V176 PolarHBondContact O-N 3.09Å; I172-V176 VanDerWaalsContact O-N 3.11Å; V176-D180 HydrophobicContact CG1-CB 3.52Å; V176-Y184 HydrophobicContact CG1-CD2 3.72Å; V176-Y184 HydrophobicContact CG1-CE2 3.85Å; V176-Y184 HydrophobicContact CG2-CD2 4.06Å; V176-Y184 HydrophobicContact CG2-CE2 4.22Å |
| 177 | S | 75.4 | Confident | 78.7 | Confident | 58 Ų | 58 | 59.8 Ų | 59.8 | 41% | 0.406 | 30% | 0.304 | S | S | . | . | trans | -60.9 | 143.3 | 173 | 81.1 | 0 | 0 | 0 | 0 | 110.3 | R179 D180 S181 | S177-R179 PolarHBondContact O-N 3.24Å; S177-D180 PolarHBondContact O-N 2.6Å; S177-D180 WeakPolarHBondContact OG-CB 3.27Å; S177-D180 PolarHBondContact OG-N 3.48Å; S177-D180 PolarHBondContact OG-OD2 3.43Å; S177-S181 PolarHBondContact O-N 3.24Å | ||
| 178 | H | 70.2 | Confident | 78.7 | Confident | 146 Ų | 146 | 59.5 Ų | 59.5 | 68% | 0.676 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -26.5 | 176.7 | -76 | -67.1 | 0 | 0 | 0 | 113.4 | P182 | H178-P182 WeakPolarHBondContact O-CD 3.48Š|
| 179 | R | 68.9 | Low | 78.5 | Confident | 227 Ų | 227 | 63 Ų | 63 | 86% | 0.857 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -37.9 | 176.4 | -176.3 | 179.9 | 177.7 | -178.7 | -0.1 | 112.9 | S177 | S177-R179 PolarHBondContact O-N 3.24Š|
| 180 | D | 74 | Confident | 78.3 | Confident | 82 Ų | 82 | 62.1 Ų | 62.1 | 44% | 0.439 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -19.6 | -175.9 | -58.8 | -38.2 | 0 | 0 | 0 | 112.4 | V176 S177 F183 Y184 | V176-D180 HydrophobicContact CG1-CB 3.52Å; S177-D180 PolarHBondContact O-N 2.6Å; S177-D180 WeakPolarHBondContact OG-CB 3.27Å; S177-D180 PolarHBondContact OG-N 3.48Å; S177-D180 PolarHBondContact OG-OD2 3.43Å; D180-F183 WeakPolarHBondContact O-CB 3.35Å; D180-F183 PolarHBondContact O-N 3.47Å; D180-F183 VanDerWaalsContact O-N 3.09Å; D180-Y184 HydrophobicContact CB-CD2 4.41Å; D180-Y184 HydrophobicContact CB-CE2 4.16Å; D180-Y184 WeakPolarHBondContact O-CD2 3.46Å; D180-Y184 PolarHBondContact O-N 3.06Å |
| 181 | S | 73.3 | Confident | 78.4 | Confident | 5 Ų | 5 | 60.1 Ų | 60.1 | 4% | 0.035 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -50.2 | -49.5 | -179.4 | 170 | 0 | 0 | 0 | 0 | 113.4 | D173 S177 F183 Y184 L185 | D173-S181 VanDerWaalsContact OD1-CB 3.28Å; D173-S181 WeakPolarHBondContact OD1-CB 3.32Å; D173-S181 PolarHBondContact OD1-OG 3.23Å; S177-S181 PolarHBondContact O-N 3.24Å; S181-F183 PolarHBondContact O-N 3.14Å; S181-F183 VanDerWaalsContact O-N 3.1Å; S181-Y184 PolarHBondContact O-N 3.12Å; S181-L185 WeakPolarHBondContact O-CG 3.35Å; S181-L185 PolarHBondContact O-N 3.42Å |
| 182 | P | 74.7 | Confident | 78.4 | Confident | 86 Ų | 86 | 63.9 Ų | 63.9 | 56% | 0.558 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -56.8 | -33.2 | -179.9 | -26.2 | 35.1 | 0 | 0 | 0 | 114.1 | H178 G186 | H178-P182 WeakPolarHBondContact O-CD 3.48Å; P182-G186 PolarHBondContact O-N 3.49Å |
| 183 | F | 80.2 | Confident | 78 | Confident | 141 Ų | 141 | 65.9 Ų | 65.9 | 62% | 0.618 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -67.3 | -45.6 | 177.5 | 172.2 | -99.2 | 0 | 0 | 0 | 111.8 | D180 S181 G186 L187 | D180-F183 WeakPolarHBondContact O-CB 3.35Å; D180-F183 PolarHBondContact O-N 3.47Å; D180-F183 VanDerWaalsContact O-N 3.09Å; S181-F183 PolarHBondContact O-N 3.14Å; S181-F183 VanDerWaalsContact O-N 3.1Å; F183-G186 PolarHBondContact O-N 2.89Å; F183-L187 PolarHBondContact O-N 3.41Å |
| 184 | Y | 78.8 | Confident | 78.3 | Confident | 34 Ų | 34 | 68.7 Ų | 68.7 | 13% | 0.133 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -68.2 | -41.1 | 178.8 | -73.5 | -80.5 | 0 | 0 | 0 | 112.2 | R13 S16 I172 V176 D180 S181 G186 L187 L188 | R13-Y184 WeakPolarHBondContact CG-OH 3.41Å; S16-Y184 WeakPolarHBondContact OG-CD1 3.32Å; I172-Y184 HydrophobicContact CG2-CG 4.31Å; V176-Y184 HydrophobicContact CG1-CD2 3.72Å; V176-Y184 HydrophobicContact CG1-CE2 3.85Å; V176-Y184 HydrophobicContact CG2-CD2 4.06Å; V176-Y184 HydrophobicContact CG2-CE2 4.22Å; D180-Y184 HydrophobicContact CB-CD2 4.41Å; D180-Y184 HydrophobicContact CB-CE2 4.16Å; D180-Y184 WeakPolarHBondContact O-CD2 3.46Å; D180-Y184 PolarHBondContact O-N 3.06Å; S181-Y184 PolarHBondContact O-N 3.12Å; Y184-G186 VanDerWaalsContact C-N 3.31Å; Y184-G186 PolarHBondContact O-N 3.31Å; Y184-L187 PolarHBondContact O-N 3.25Å; Y184-L188 WeakPolarHBondContact O-CG 3.45Å; Y184-L188 PolarHBondContact O-N 3.36Å |
| 185 | L | 77.4 | Confident | 78.6 | Confident | 45 Ų | 45 | 64.7 Ų | 64.7 | 24% | 0.236 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.1 | -39 | 174.3 | -58.6 | -179 | 0 | 0 | 0 | 111.1 | Y169 S181 L187 L188 T189 | Y169-L185 HydrophobicContact CD1-CD2 3.76Å; Y169-L185 HydrophobicContact CG-CD2 4.37Å; S181-L185 WeakPolarHBondContact O-CG 3.35Å; S181-L185 PolarHBondContact O-N 3.42Å; L185-L187 VanDerWaalsContact C-N 3.35Å; L185-L187 PolarHBondContact O-N 3.23Å; L185-L188 HydrophobicContact CD2-CD1 4.27Å; L185-L188 PolarHBondContact O-N 3.46Å; L185-T189 WeakPolarHBondContact O-CB 3.32Å; L185-T189 WeakPolarHBondContact O-CG2 3.43Å; L185-T189 PolarHBondContact O-N 3.25Å; L185-T189 PolarHBondContact O-OG1 2.97Å |
| 186 | G | 76.3 | Confident | 79 | Confident | 37 Ų | 37 | 64.5 Ų | 64.5 | 38% | 0.381 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -60.1 | -40.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | P182 F183 Y184 T189 G190 | P182-G186 PolarHBondContact O-N 3.49Å; F183-G186 PolarHBondContact O-N 2.89Å; Y184-G186 VanDerWaalsContact C-N 3.31Å; Y184-G186 PolarHBondContact O-N 3.31Å; G186-T189 WeakPolarHBondContact CA-OG1 3.35Å; G186-T189 PolarHBondContact O-OG1 3.41Å; G186-G190 PolarHBondContact O-N 3.48Å |
| 187 | L | 84.4 | Confident | 79.4 | Confident | 70 Ų | 70 | 65 Ų | 65 | 37% | 0.366 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -66.2 | -44.8 | 177.2 | -172.4 | 68.5 | 0 | 0 | 0 | 112 | C20 F183 Y184 L185 G190 M191 | C20-L187 VanDerWaalsContact SG-CD2 3.54Å; C20-L187 VanDerWaalsContact SG-CG 3.56Å; F183-L187 PolarHBondContact O-N 3.41Å; Y184-L187 PolarHBondContact O-N 3.25Å; L185-L187 VanDerWaalsContact C-N 3.35Å; L185-L187 PolarHBondContact O-N 3.23Å; L187-G190 PolarHBondContact O-N 3.27Å; L187-M191 PolarHBondContact O-N 3.44Å |
| 188 | L | 83.4 | Confident | 80.2 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.7 | -47.6 | 177.3 | -66.8 | 159.4 | 0 | 0 | 0 | 111.4 | M19 I23 Y169 I172 Y184 L185 G190 M191 | M19-L188 HydrophobicContact CB-CD2 3.67Å; I23-L188 HydrophobicContact CD1-CB 3.95Å; I23-L188 HydrophobicContact CD1-CD2 3.62Å; I23-L188 HydrophobicContact CD1-CG 4.38Å; Y169-L188 HydrophobicContact CD1-CD1 4.33Å; Y169-L188 HydrophobicContact CE1-CB 3.94Å; Y169-L188 HydrophobicContact CE1-CD1 4.24Å; Y169-L188 HydrophobicContact CE2-CB 4.26Å; Y169-L188 HydrophobicContact CE2-CD1 4.46Å; Y169-L188 HydrophobicContact CG-CD1 4.45Å; Y169-L188 WeakPolarHBondContact OH-CB 3.47Å; I172-L188 HydrophobicContact CD1-CD1 3.51Å; I172-L188 HydrophobicContact CD1-CD2 4.12Å; I172-L188 HydrophobicContact CD1-CG 4.32Å; Y184-L188 WeakPolarHBondContact O-CG 3.45Å; Y184-L188 PolarHBondContact O-N 3.36Å; L185-L188 HydrophobicContact CD2-CD1 4.27Å; L185-L188 PolarHBondContact O-N 3.46Å; L188-G190 VanDerWaalsContact C-N 3.32Å; L188-G190 PolarHBondContact O-N 3.39Å; L188-M191 PolarHBondContact O-N 3.19Å |
| 189 | T | 80.8 | Confident | 81.2 | Confident | 73 Ų | 73 | 60.7 Ų | 60.7 | 45% | 0.448 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64.3 | -37.7 | 178.7 | 49.5 | 0 | 0 | 0 | 0 | 111.8 | Y169 L185 G186 M191 Y192 | Y169-T189 HydrophobicContact CE1-CG2 3.78Å; Y169-T189 PolarHBondContact OH-N 3.41Å; L185-T189 WeakPolarHBondContact O-CB 3.32Å; L185-T189 WeakPolarHBondContact O-CG2 3.43Å; L185-T189 PolarHBondContact O-N 3.25Å; L185-T189 PolarHBondContact O-OG1 2.97Å; G186-T189 WeakPolarHBondContact CA-OG1 3.35Å; G186-T189 PolarHBondContact O-OG1 3.41Å; T189-M191 PolarHBondContact O-N 3.37Å; T189-Y192 WeakPolarHBondContact O-CB 3.3Å; T189-Y192 PolarHBondContact O-N 3.23Å; T189-Y192 VanDerWaalsContact O-N 3.12Å |
| 190 | G | 79.6 | Confident | 82.3 | Confident | 24 Ų | 24 | 50.6 Ų | 50.6 | 25% | 0.247 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58.2 | -33 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | G186 L187 L188 Y192 A193 F194 | G186-G190 PolarHBondContact O-N 3.48Å; L187-G190 PolarHBondContact O-N 3.27Å; L188-G190 VanDerWaalsContact C-N 3.32Å; L188-G190 PolarHBondContact O-N 3.39Å; G190-Y192 PolarHBondContact O-N 3.39Å; G190-A193 PolarHBondContact O-N 3.13Å; G190-F194 VanDerWaalsContact O-CD2 3.32Å; G190-F194 WeakPolarHBondContact O-CD2 3.28Å; G190-F194 PolarHBondContact O-N 3.24Å |
| 191 | M | 85.8 | Confident | 83.1 | Confident | 38 Ų | 38 | 51.3 Ų | 51.3 | 19% | 0.187 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.2 | -23.2 | 178.6 | -65.9 | -60.3 | 101.6 | 0 | 0 | 113.4 | C20 I23 A24 L187 L188 T189 A193 F194 G195 | C20-M191 HydrophobicContact CB-CG 3.93Å; C20-M191 WeakPolarHBondContact O-CG 3.32Å; I23-M191 HydrophobicContact CB-CB 4.17Å; I23-M191 HydrophobicContact CG2-CB 3.76Å; A24-M191 HydrophobicContact CB-CB 4.44Å; A24-M191 HydrophobicContact CB-SD 4.21Å; L187-M191 PolarHBondContact O-N 3.44Å; L188-M191 PolarHBondContact O-N 3.19Å; T189-M191 PolarHBondContact O-N 3.37Å; M191-A193 VanDerWaalsContact C-N 3.26Å; M191-A193 PolarHBondContact O-N 3.4Å; M191-F194 HydrophobicContact CE-CD2 4.11Å; M191-F194 PolarHBondContact O-N 3.1Å; M191-G195 WeakPolarHBondContact O-CA 3.33Å; M191-G195 PolarHBondContact O-N 3.25Å |
| 192 | Y | 82.1 | Confident | 84 | Confident | 79 Ų | 79 | 52.4 Ų | 52.4 | 31% | 0.31 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -66.3 | -27.5 | 172.2 | -80.3 | -74 | 0 | 0 | 0 | 113.6 | I23 N165 T189 G190 P196 | I23-Y192 HydrophobicContact CG2-CD1 4.31Å; I23-Y192 HydrophobicContact CG2-CD2 3.86Å; I23-Y192 HydrophobicContact CG2-CE1 4.29Å; I23-Y192 HydrophobicContact CG2-CE2 3.82Å; I23-Y192 HydrophobicContact CG2-CG 4.13Å; N165-Y192 PolarHBondContact ND2-OH 2.82Å; N165-Y192 VanDerWaalsContact ND2-OH 3.17Å; N165-Y192 PolarHBondContact OD1-OH 2.61Å; T189-Y192 WeakPolarHBondContact O-CB 3.3Å; T189-Y192 PolarHBondContact O-N 3.23Å; T189-Y192 VanDerWaalsContact O-N 3.12Å; G190-Y192 PolarHBondContact O-N 3.39Å; Y192-P196 WeakPolarHBondContact O-CD 3.37Å; Y192-P196 WeakPolarHBondContact O-CG 3.28Å |
| 193 | A | 75.7 | Confident | 84.7 | Confident | 43 Ų | 43 | 48.3 Ų | 48.3 | 36% | 0.355 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -82.3 | -41 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | G190 M191 | G190-A193 PolarHBondContact O-N 3.13Å; M191-A193 VanDerWaalsContact C-N 3.26Å; M191-A193 PolarHBondContact O-N 3.4Å |
| 194 | F | 82.6 | Confident | 84.9 | Confident | 120 Ų | 120 | 42.6 Ų | 42.6 | 53% | 0.526 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -79.4 | -33.6 | -177.7 | -73.4 | -73.9 | 0 | 0 | 0 | 113.7 | G190 M191 A197 F198 | G190-F194 VanDerWaalsContact O-CD2 3.32Å; G190-F194 WeakPolarHBondContact O-CD2 3.28Å; G190-F194 PolarHBondContact O-N 3.24Å; M191-F194 HydrophobicContact CE-CD2 4.11Å; M191-F194 PolarHBondContact O-N 3.1Å; F194-A197 WeakPolarHBondContact O-CB 3.36Å; F194-A197 PolarHBondContact O-N 2.93Å; F194-A197 VanDerWaalsContact O-N 3.14Å; F194-F198 HydrophobicContact CB-CE2 4.46Å; F194-F198 WeakPolarHBondContact O-CD2 2.94Å; F194-F198 PolarHBondContact O-N 2.88Å |
| 195 | G | 87.8 | Confident | 85.3 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -53.6 | -53.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | G27 T28 M191 A197 F198 G199 | G27-G195 CarbonylContact C-O 3.54Å; G27-G195 CarbonylContact O-C 3.55Å; T28-G195 WeakPolarHBondContact CA-O 3.24Å; T28-G195 VanDerWaalsContact N-C 3.34Å; T28-G195 PolarHBondContact N-O 2.92Å; T28-G195 PolarHBondContact OG1-O 3.35Å; M191-G195 WeakPolarHBondContact O-CA 3.33Å; M191-G195 PolarHBondContact O-N 3.25Å; G195-A197 PolarHBondContact O-N 2.78Å; G195-A197 VanDerWaalsContact O-N 3.13Å; G195-F198 WeakPolarHBondContact O-CB 3.29Å; G195-F198 PolarHBondContact O-N 3.44Å; G195-G199 PolarHBondContact O-N 2.88Å; G195-G199 VanDerWaalsContact O-N 3.15Å |
| 196 | P | 88.7 | Confident | 85.6 | Confident | 24 Ų | 24 | 43.5 Ų | 43.5 | 16% | 0.156 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -55.5 | -32.1 | 178.7 | -29.6 | 38.2 | 0 | 0 | 0 | 114.4 | G27 Y192 G199 F200 I335 | G27-P196 WeakPolarHBondContact O-CA 3.45Å; Y192-P196 WeakPolarHBondContact O-CD 3.37Å; Y192-P196 WeakPolarHBondContact O-CG 3.28Å; P196-G199 WeakPolarHBondContact O-CA 3.32Å; P196-G199 PolarHBondContact O-N 3.24Å; P196-F200 WeakPolarHBondContact O-CD2 3.11Å; P196-F200 PolarHBondContact O-N 3.35Å; P196-I335 HydrophobicContact CB-CD1 3.49Å; P196-I335 VanDerWaalsContact CB-CD1 3.49Å; P196-I335 HydrophobicContact CB-CG1 4.25Å |
| 197 | A | 88.1 | Confident | 85.5 | Confident | 34 Ų | 34 | 43.1 Ų | 43.1 | 28% | 0.281 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -64.4 | -42 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | F194 G195 G199 F200 L201 I335 | F194-A197 WeakPolarHBondContact O-CB 3.36Å; F194-A197 PolarHBondContact O-N 2.93Å; F194-A197 VanDerWaalsContact O-N 3.14Å; G195-A197 PolarHBondContact O-N 2.78Å; G195-A197 VanDerWaalsContact O-N 3.13Å; A197-G199 PolarHBondContact O-N 3.24Å; A197-F200 PolarHBondContact O-N 3.4Å; A197-L201 WeakPolarHBondContact O-CG 3.45Å; A197-L201 PolarHBondContact O-N 3.44Å; A197-L201 VanDerWaalsContact O-N 3.09Å; A197-I335 HydrophobicContact CB-CG2 4.08Å |
| 198 | F | 90.9 | Very high | 84.8 | Confident | 113 Ų | 113 | 42.5 Ų | 42.5 | 50% | 0.496 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.8 | -32.5 | 171.5 | -64.6 | -58.9 | 0 | 0 | 0 | 111.8 | T28 F194 G195 L201 L202 | T28-F198 HydrophobicContact CG2-CB 4.16Å; T28-F198 WeakPolarHBondContact OG1-CB 3.32Å; F194-F198 HydrophobicContact CB-CE2 4.46Å; F194-F198 WeakPolarHBondContact O-CD2 2.94Å; F194-F198 PolarHBondContact O-N 2.88Å; G195-F198 WeakPolarHBondContact O-CB 3.29Å; G195-F198 PolarHBondContact O-N 3.44Å; F198-L201 PolarHBondContact O-N 3.35Å; F198-L202 VanDerWaalsContact O-CB 3.3Å; F198-L202 WeakPolarHBondContact O-CB 3.34Å; F198-L202 PolarHBondContact O-N 3.02Å |
| 199 | G | 92.7 | Very high | 83.5 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62 | -51.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | T28 G195 P196 A197 L201 L202 S203 | T28-G199 WeakPolarHBondContact O-CA 3.48Å; G195-G199 PolarHBondContact O-N 2.88Å; G195-G199 VanDerWaalsContact O-N 3.15Å; P196-G199 WeakPolarHBondContact O-CA 3.32Å; P196-G199 PolarHBondContact O-N 3.24Å; A197-G199 PolarHBondContact O-N 3.24Å; G199-L201 VanDerWaalsContact C-N 3.33Å; G199-L201 PolarHBondContact O-N 3.08Å; G199-L202 PolarHBondContact O-N 2.66Å; G199-S203 PolarHBondContact O-N 2.95Å |
| 200 | F | 90.5 | Very high | 81.8 | Confident | 14 Ų | 14 | 50.2 Ų | 50.2 | 6% | 0.061 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.9 | -39 | 175.8 | -82 | -75.5 | 0 | 0 | 0 | 112.5 | V34 P196 A197 S203 T204 P312 D327 I335 | V34-F200 HydrophobicContact CB-CZ 4.11Å; V34-F200 HydrophobicContact CG1-CE1 4.11Å; V34-F200 HydrophobicContact CG1-CZ 3.62Å; P196-F200 WeakPolarHBondContact O-CD2 3.11Å; P196-F200 PolarHBondContact O-N 3.35Å; A197-F200 PolarHBondContact O-N 3.4Å; F200-S203 PolarHBondContact O-N 3.25Å; F200-T204 WeakPolarHBondContact O-CB 3.3Å; F200-T204 PolarHBondContact O-N 3.44Å; F200-T204 PolarHBondContact O-OG1 3.43Å; F200-P312 HydrophobicContact CE1-CG 3.73Å; F200-P312 HydrophobicContact CZ-CG 4.35Å; F200-D327 HydrophobicContact CD1-CB 4.01Å; F200-I335 HydrophobicContact CD2-CD1 3.37Å; F200-I335 HydrophobicContact CE2-CD1 3.42Å; F200-I335 VanDerWaalsContact CE2-CD1 3.42Å |
| 201 | L | 90.7 | Very high | 79.8 | Confident | 97 Ų | 97 | 54.1 Ų | 54.1 | 51% | 0.508 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.1 | -43.5 | 174.2 | -71.7 | 171.3 | 0 | 0 | 0 | 111.6 | A197 F198 G199 T204 I205 | A197-L201 WeakPolarHBondContact O-CG 3.45Å; A197-L201 PolarHBondContact O-N 3.44Å; A197-L201 VanDerWaalsContact O-N 3.09Å; F198-L201 PolarHBondContact O-N 3.35Å; G199-L201 VanDerWaalsContact C-N 3.33Å; G199-L201 PolarHBondContact O-N 3.08Å; L201-T204 WeakPolarHBondContact O-CB 3.26Å; L201-T204 PolarHBondContact O-N 3.26Å; L201-I205 WeakPolarHBondContact O-CG1 3.2Å; L201-I205 PolarHBondContact O-N 3.14Å |
| 202 | L | 91.8 | Very high | 77.7 | Confident | 29 Ų | 29 | 57.3 Ų | 57.3 | 15% | 0.152 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.7 | -41.9 | 176.2 | -176.6 | 62.3 | 0 | 0 | 0 | 111.3 | T28 Y32 F198 G199 T204 I205 V206 I229 | T28-L202 HydrophobicContact CG2-CD2 4.2Å; Y32-L202 HydrophobicContact CD2-CB 3.99Å; Y32-L202 HydrophobicContact CD2-CD2 3.98Å; Y32-L202 HydrophobicContact CD2-CG 3.83Å; Y32-L202 HydrophobicContact CE2-CB 4.45Å; Y32-L202 HydrophobicContact CE2-CD2 4.28Å; Y32-L202 HydrophobicContact CE2-CG 3.93Å; Y32-L202 HydrophobicContact CG-CD2 4.49Å; F198-L202 VanDerWaalsContact O-CB 3.3Å; F198-L202 WeakPolarHBondContact O-CB 3.34Å; F198-L202 PolarHBondContact O-N 3.02Å; G199-L202 PolarHBondContact O-N 2.66Å; L202-T204 VanDerWaalsContact C-N 3.31Å; L202-T204 PolarHBondContact O-N 3.29Å; L202-I205 PolarHBondContact O-N 3.47Å; L202-V206 HydrophobicContact CD1-CG2 3.98Å; L202-V206 HydrophobicContact CG-CG2 4.29Å; L202-V206 WeakPolarHBondContact O-CB 3.31Å; L202-V206 VanDerWaalsContact O-CG2 3.25Å; L202-V206 WeakPolarHBondContact O-CG2 3.37Å; L202-V206 PolarHBondContact O-N 3.48Å; L202-I229 HydrophobicContact CD1-CD1 4.07Å |
| 203 | S | 89.5 | Confident | 75.6 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.3 | -44.6 | 174.9 | -178.3 | 0 | 0 | 0 | 0 | 111.3 | G35 V36 G199 F200 S207 D327 | G35-S203 WeakPolarHBondContact CA-OG 3.45Å; V36-S203 WeakPolarHBondContact CG1-OG 3.34Å; V36-S203 PolarHBondContact N-OG 3.39Å; G199-S203 PolarHBondContact O-N 2.95Å; F200-S203 PolarHBondContact O-N 3.25Å; S203-S207 WeakPolarHBondContact O-CB 3.44Å; S203-S207 PolarHBondContact O-N 2.9Å; S203-S207 PolarHBondContact O-OG 3.44Å; S203-D327 VanDerWaalsContact CB-OD2 3.27Å; S203-D327 WeakPolarHBondContact CB-OD2 3.44Å; S203-D327 PolarHBondContact OG-OD2 3.45Å |
| 204 | T | 85.8 | Confident | 73.8 | Confident | 20 Ų | 20 | 60.6 Ų | 60.6 | 12% | 0.123 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59.7 | -50.3 | 177 | -58.7 | 0 | 0 | 0 | 0 | 111.6 | F200 L201 L202 S207 A208 S324 I328 | F200-T204 WeakPolarHBondContact O-CB 3.3Å; F200-T204 PolarHBondContact O-N 3.44Å; F200-T204 PolarHBondContact O-OG1 3.43Å; L201-T204 WeakPolarHBondContact O-CB 3.26Å; L201-T204 PolarHBondContact O-N 3.26Å; L202-T204 VanDerWaalsContact C-N 3.31Å; L202-T204 PolarHBondContact O-N 3.29Å; T204-S207 PolarHBondContact O-N 3.23Å; T204-A208 VanDerWaalsContact O-CB 3.23Å; T204-A208 WeakPolarHBondContact O-CB 3.43Å; T204-A208 PolarHBondContact O-N 3.33Å; T204-S324 PolarHBondContact OG1-O 3.28Å; T204-I328 HydrophobicContact CG2-CD1 3.62Å; T204-I328 HydrophobicContact CG2-CG1 3.77Å |
| 205 | I | 86.5 | Confident | 71.7 | Confident | 96 Ų | 96 | 57.9 Ų | 57.9 | 49% | 0.492 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63 | -50 | -178.2 | -66.5 | 163.9 | 0 | 0 | 0 | 110.1 | L201 L202 S207 A208 E209 | L201-I205 WeakPolarHBondContact O-CG1 3.2Å; L201-I205 PolarHBondContact O-N 3.14Å; L202-I205 PolarHBondContact O-N 3.47Å; I205-S207 VanDerWaalsContact C-N 3.28Å; I205-S207 PolarHBondContact O-N 2.93Å; I205-A208 CarbonylContact O-C 3.24Å; I205-A208 WeakPolarHBondContact O-CA 3.44Å; I205-A208 WeakPolarHBondContact O-CB 3.41Å; I205-A208 PolarHBondContact O-N 3.44Å; I205-E209 WeakPolarHBondContact O-CB 3.47Å; I205-E209 PolarHBondContact O-N 3.27Å |
| 206 | V | 83.9 | Confident | 69.7 | Low | 3 Ų | 3 | 58.8 Ų | 58.8 | 2% | 0.018 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -65.4 | -33.7 | -178.2 | 171.5 | 0 | 0 | 0 | 0 | 112 | Y32 L202 A208 A222 L225 | Y32-V206 HydrophobicContact CE2-CB 4.45Å; Y32-V206 HydrophobicContact CE2-CG2 4.41Å; L202-V206 HydrophobicContact CD1-CG2 3.98Å; L202-V206 HydrophobicContact CG-CG2 4.29Å; L202-V206 WeakPolarHBondContact O-CB 3.31Å; L202-V206 VanDerWaalsContact O-CG2 3.25Å; L202-V206 WeakPolarHBondContact O-CG2 3.37Å; L202-V206 PolarHBondContact O-N 3.48Å; V206-A208 VanDerWaalsContact C-N 3.34Å; V206-A222 HydrophobicContact CG1-CB 3.88Å; V206-A222 WeakPolarHBondContact CG1-O 3.21Å; V206-L225 HydrophobicContact CG1-CB 4.11Å; V206-L225 HydrophobicContact CG2-CD2 4.3Å |
| 207 | S | 75 | Confident | 67.6 | Low | 28 Ų | 28 | 61 Ų | 61 | 20% | 0.196 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -75.4 | -24 | 173.9 | -59.2 | 0 | 0 | 0 | 0 | 112.5 | S203 T204 I205 | S203-S207 WeakPolarHBondContact O-CB 3.44Å; S203-S207 PolarHBondContact O-N 2.9Å; S203-S207 PolarHBondContact O-OG 3.44Å; T204-S207 PolarHBondContact O-N 3.23Å; I205-S207 VanDerWaalsContact C-N 3.28Å; I205-S207 PolarHBondContact O-N 2.93Å |
| 208 | A | 69.8 | Low | 65.8 | Low | 58 Ų | 58 | 61.2 Ų | 61.2 | 48% | 0.479 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -85 | -30.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | T204 I205 V206 H210 | T204-A208 VanDerWaalsContact O-CB 3.23Å; T204-A208 WeakPolarHBondContact O-CB 3.43Å; T204-A208 PolarHBondContact O-N 3.33Å; I205-A208 CarbonylContact O-C 3.24Å; I205-A208 WeakPolarHBondContact O-CA 3.44Å; I205-A208 WeakPolarHBondContact O-CB 3.41Å; I205-A208 PolarHBondContact O-N 3.44Å; V206-A208 VanDerWaalsContact C-N 3.34Å; A208-H210 PolarHBondContact O-N 2.88Å |
| 209 | E | 54.7 | Low | 64.1 | Low | 129 Ų | 129 | 61 Ų | 61 | 60% | 0.603 | 34% | 0.335 | S | S | * | . | trans | -77.3 | 29.9 | -169.2 | -154.5 | 164.6 | -168.8 | 0 | 0 | 114.6 | I205 P211 | I205-E209 WeakPolarHBondContact O-CB 3.47Å; I205-E209 PolarHBondContact O-N 3.27Å; E209-P211 WeakPolarHBondContact O-CD 3.27Å | ||
| 210 | H | 46.2 | Very low | 62.7 | Low | 106 Ų | 106 | 62.7 Ų | 62.7 | 49% | 0.491 | 34% | 0.343 | S | S | . | . | trans | -113.7 | 80.6 | 159.6 | -75.7 | 42 | 0 | 0 | 0 | 109.2 | A208 V212 | A208-H210 PolarHBondContact O-N 2.88Å; H210-V212 PolarHBondContact O-N 3.13Å | ||
| 211 | P | 37.9 | Very low | 61.4 | Low | 105 Ų | 105 | 62.5 Ų | 62.5 | 68% | 0.682 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | 23.5 | -163.8 | 29.8 | -21.3 | 0 | 0 | 0 | 115.3 | E209 | E209-P211 WeakPolarHBondContact O-CD 3.27Š|
| 212 | V | 40.1 | Very low | 61 | Low | 105 Ų | 105 | 58.2 Ų | 58.2 | 64% | 0.636 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -19.5 | -177.6 | -176.1 | 0 | 0 | 0 | 0 | 114.4 | H210 | H210-V212 PolarHBondContact O-N 3.13Š|
| 213 | K | 39.2 | Very low | 60.8 | Low | 54 Ų | 54 | 57 Ų | 57 | 24% | 0.235 | 32% | 0.317 | C | S | . | . | trans | -166 | 119.1 | 159.1 | -85.9 | 118 | -164.8 | -168.3 | 0 | 110.5 | S215 D434 N436 | K213-S215 VanDerWaalsContact C-N 3.35Å; K213-S215 PolarHBondContact O-N 3.5Å; K213-S215 VanDerWaalsContact O-N 3.14Å; K213-D434 WeakPolarHBondContact CD-O 3.31Å; K213-D434 WeakPolarHBondContact CE-O 3.08Å; K213-D434 VanDerWaalsContact NZ-C 3.35Å; K213-D434 PolarHBondContact NZ-O 3.48Å; K213-D434 IonicContact NZ-OD1 3.78Å; K213-N436 VanDerWaalsContact CB-ND2 3.28Å; K213-N436 WeakPolarHBondContact CB-ND2 3.46Å; K213-N436 WeakPolarHBondContact CB-OD1 3.32Å | ||
| 214 | P | 38 | Very low | 60.9 | Low | 138 Ų | 138 | 60 Ų | 60 | 90% | 0.896 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | 16.7 | -162.9 | 29.7 | -34.8 | 0 | 0 | 0 | 117.7 | ||
| 215 | S | 37.7 | Very low | 61.2 | Low | 63 Ų | 63 | 61.6 Ų | 61.6 | 44% | 0.441 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.4 | -3.9 | -173.3 | 52.7 | 0 | 0 | 0 | 0 | 116.9 | K213 H217 N436 | K213-S215 VanDerWaalsContact C-N 3.35Å; K213-S215 PolarHBondContact O-N 3.5Å; K213-S215 VanDerWaalsContact O-N 3.14Å; S215-H217 PolarHBondContact O-N 3.33Å; S215-H217 VanDerWaalsContact O-N 3.08Å; S215-N436 PolarHBondContact OG-ND2 3.22Å; S215-N436 VanDerWaalsContact OG-ND2 3.1Å |
| 216 | S | 45.5 | Very low | 61.5 | Low | 18 Ų | 18 | 57 Ų | 57 | 13% | 0.126 | 31% | 0.313 | C | S | . | . | trans | -75.5 | 104.5 | -176.8 | 60.1 | 0 | 0 | 0 | 0 | 111.4 | Y218 R219 E452 | S216-Y218 PolarHBondContact O-N 3.43Å; S216-R219 PolarHBondContact O-N 2.93Å; S216-R219 WeakPolarHBondContact OG-CD 3.34Å; S216-R219 WeakPolarHBondContact OG-CG 3.5Å; S216-R219 PolarHBondContact OG-NE 2.99Å; S216-E452 VanDerWaalsContact CB-OE2 3.25Å; S216-E452 WeakPolarHBondContact CB-OE2 3.09Å | ||
| 217 | H | 45.4 | Very low | 62.1 | Low | 70 Ų | 70 | 56.9 Ų | 56.9 | 32% | 0.324 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -13.3 | -178.3 | -167.6 | 82.9 | 0 | 0 | 0 | 114.9 | S215 F454 | S215-H217 PolarHBondContact O-N 3.33Å; S215-H217 VanDerWaalsContact O-N 3.08Å; H217-F454 AromaticContact CD2-CE2 3.66Å; H217-F454 AromaticContact CE1-CD2 3.79Å; H217-F454 AromaticContact CE1-CE2 3.47Å; H217-F454 VanDerWaalsContact CE1-CE2 3.47Å; H217-F454 WeakPolarHBondContact CE1-CE2 3.44Å; H217-F454 AromaticContact ND1-CD2 3.89Å; H217-F454 AromaticContact ND1-CE2 3.9Å; H217-F454 AromaticContact NE2-CE2 3.32Å; H217-F454 VanDerWaalsContact NE2-CE2 3.32Å; H217-F454 WeakPolarHBondContact NE2-CE2 3.09Å |
| 218 | Y | 51 | Low | 63.2 | Low | 40 Ų | 40 | 56.9 Ų | 56.9 | 16% | 0.157 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | -9.5 | -173.6 | 74.4 | -97.6 | 0 | 0 | 0 | 115.4 | Y108 S216 I220 L412 | Y108-Y218 HydrophobicContact CE1-CE2 4.19Å; Y108-Y218 AromaticContact CE2-CD2 3.98Å; Y108-Y218 HydrophobicContact CE2-CD2 3.98Å; Y108-Y218 AromaticContact CE2-CE2 3.36Å; Y108-Y218 HydrophobicContact CE2-CE2 3.36Å; Y108-Y218 AromaticContact CZ-CE2 3.18Å; Y108-Y218 AromaticContact CZ-CZ 3.51Å; Y108-Y218 WeakPolarHBondContact OH-CE2 3.29Å; Y108-Y218 PolarHBondContact OH-OH 3.02Å; S216-Y218 PolarHBondContact O-N 3.43Å; Y218-I220 PolarHBondContact O-N 3.48Å; Y218-L412 HydrophobicContact CD1-CD2 3.7Å; Y218-L412 HydrophobicContact CE1-CD2 4.07Å; Y218-L412 HydrophobicContact CG-CD2 4Å |
| 219 | R | 53.9 | Low | 64.4 | Low | 108 Ų | 108 | 57.1 Ų | 57.1 | 41% | 0.408 | 30% | 0.303 | S | S | . | . | trans | -70.1 | 106.4 | -176.5 | -78.3 | -175.3 | -156.1 | -155.1 | 4.6 | 109.7 | S216 G221 | S216-R219 PolarHBondContact O-N 2.93Å; S216-R219 WeakPolarHBondContact OG-CD 3.34Å; S216-R219 WeakPolarHBondContact OG-CG 3.5Å; S216-R219 PolarHBondContact OG-NE 2.99Å; R219-G221 PolarHBondContact O-N 3.16Å; R219-G221 VanDerWaalsContact O-N 3.07Å | ||
| 220 | I | 62.9 | Low | 66.4 | Low | 36 Ų | 36 | 51 Ų | 51 | 19% | 0.185 | 28% | 0.275 | C | S | . | . | trans | -64 | 107 | 172.3 | -61.5 | 158 | 0 | 0 | 0 | 106 | R43 T106 Y218 W223 | R43-I220 HydrophobicContact CB-CD1 3.86Å; R43-I220 HydrophobicContact CB-CG1 4.49Å; R43-I220 HydrophobicContact CB-CG2 4.17Å; R43-I220 HydrophobicContact CG-CD1 4.45Å; T106-I220 HydrophobicContact CG2-CD1 4.38Å; Y218-I220 PolarHBondContact O-N 3.48Å; I220-W223 HydrophobicContact CG2-CG 4.44Å | ||
| 221 | G | 65 | Low | 68.9 | Low | 9 Ų | 9 | 46 Ų | 46 | 9% | 0.093 | 25% | 0.251 | C | S | . | . | trans | -58.2 | 177.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | R219 W223 | R219-G221 PolarHBondContact O-N 3.16Å; R219-G221 VanDerWaalsContact O-N 3.07Å; G221-W223 VanDerWaalsContact O-CD1 3.27Å; G221-W223 PolarHBondContact O-N 3.41Å | ||
| 222 | A | 81.3 | Confident | 71.7 | Confident | 8 Ų | 8 | 45.1 Ų | 45.1 | 7% | 0.066 | 24% | 0.24 | C | C | . | . | trans | -73.5 | 51.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | V206 W224 L225 | V206-A222 HydrophobicContact CG1-CB 3.88Å; V206-A222 WeakPolarHBondContact CG1-O 3.21Å; A222-W224 PolarHBondContact O-N 2.91Å; A222-L225 HydrophobicContact CB-CB 4.08Å; A222-L225 HydrophobicContact CB-CD2 4.49Å; A222-L225 WeakPolarHBondContact O-CB 3.25Å; A222-L225 PolarHBondContact O-N 2.86Å | ||
| 223 | W | 87.6 | Confident | 74.4 | Confident | 3 Ų | 3 | 43 Ų | 43 | 1% | 0.011 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.5 | -25.7 | -175.7 | 64.4 | -87.2 | 0 | 0 | 0 | 114.5 | Y32 V36 I40 R43 F44 L96 P99 N100 M150 I220 G221 F227 | Y32-W223 VanDerWaalsContact CE1-O 3.22Å; Y32-W223 WeakPolarHBondContact CE1-O 3.46Å; Y32-W223 VanDerWaalsContact CZ-O 3.31Å; Y32-W223 WeakPolarHBondContact OH-CA 3.36Å; Y32-W223 PolarHBondContact OH-O 3.38Å; V36-W223 HydrophobicContact CB-CB 3.99Å; V36-W223 HydrophobicContact CG1-CB 4.18Å; V36-W223 HydrophobicContact CG2-CB 4.42Å; I40-W223 HydrophobicContact CD1-CE3 4.39Å; I40-W223 HydrophobicContact CG1-CD2 4.3Å; I40-W223 HydrophobicContact CG1-CE3 3.95Å; I40-W223 HydrophobicContact CG1-CZ3 4.47Å; R43-W223 HydrophobicContact CG-CZ2 4.35Å; F44-W223 AromaticContact CE2-CH2 3.62Å; F44-W223 HydrophobicContact CE2-CH2 3.62Å; F44-W223 AromaticContact CE2-CZ2 3.58Å; F44-W223 HydrophobicContact CE2-CZ2 3.58Å; F44-W223 HydrophobicContact CE2-CZ3 4.45Å; F44-W223 AromaticContact CZ-CH2 3.83Å; F44-W223 HydrophobicContact CZ-CH2 3.83Å; F44-W223 AromaticContact CZ-CZ2 3.63Å; F44-W223 HydrophobicContact CZ-CZ2 3.63Å; L96-W223 WeakPolarHBondContact O-CZ3 3.46Å; P99-W223 HydrophobicContact CB-CH2 4.36Å; N100-W223 HydrophobicContact CB-CH2 4.12Å; N100-W223 HydrophobicContact CB-CZ2 3.7Å; M150-W223 HydrophobicContact CE-CZ3 4.3Å; I220-W223 HydrophobicContact CG2-CG 4.44Å; G221-W223 VanDerWaalsContact O-CD1 3.27Å; G221-W223 PolarHBondContact O-N 3.41Å; W223-F227 HydrophobicContact CE3-CD2 4.32Å; W223-F227 AromaticContact CE3-CE2 3.8Å; W223-F227 HydrophobicContact CE3-CE2 3.8Å; W223-F227 HydrophobicContact CZ3-CD2 4.35Å; W223-F227 AromaticContact CZ3-CE2 3.98Å; W223-F227 HydrophobicContact CZ3-CE2 3.98Å |
| 224 | W | 91.7 | Very high | 77.2 | Confident | 63 Ų | 63 | 40.7 Ų | 40.7 | 24% | 0.239 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -23.9 | 176.3 | 60.6 | -91.6 | 0 | 0 | 0 | 113.7 | A97 N100 F101 A222 G226 F227 V228 | A97-W224 HydrophobicContact CB-CB 4.21Å; N100-W224 HydrophobicContact CB-CB 3.88Å; N100-W224 HydrophobicContact CB-CG 3.86Å; N100-W224 VanDerWaalsContact ND2-CD1 3.25Å; N100-W224 PolarHBondContact ND2-NE1 3.29Å; F101-W224 HydrophobicContact CE1-CZ3 4.44Å; F101-W224 HydrophobicContact CE2-CD2 4.36Å; F101-W224 AromaticContact CE2-CE3 3.96Å; F101-W224 HydrophobicContact CE2-CE3 3.96Å; F101-W224 HydrophobicContact CE2-CZ3 4.42Å; F101-W224 AromaticContact CZ-CD2 4Å; F101-W224 HydrophobicContact CZ-CD2 4Å; F101-W224 AromaticContact CZ-CE3 3.54Å; F101-W224 HydrophobicContact CZ-CE3 3.54Å; F101-W224 HydrophobicContact CZ-CH2 4.08Å; F101-W224 HydrophobicContact CZ-CZ2 4.48Å; F101-W224 AromaticContact CZ-CZ3 3.6Å; F101-W224 HydrophobicContact CZ-CZ3 3.6Å; A222-W224 PolarHBondContact O-N 2.91Å; W224-G226 PolarHBondContact O-N 2.89Å; W224-F227 WeakPolarHBondContact O-CB 3.42Å; W224-F227 PolarHBondContact O-N 3.36Å; W224-V228 HydrophobicContact CE3-CG2 3.77Å; W224-V228 HydrophobicContact CZ3-CG2 4.03Å; W224-V228 PolarHBondContact O-N 2.92Å |
| 225 | L | 91.8 | Very high | 80 | Confident | 54 Ų | 54 | 37.2 Ų | 37.2 | 28% | 0.283 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -66 | -42.2 | -170.4 | -176.6 | 62.9 | 0 | 0 | 0 | 112.1 | V206 A222 F227 V228 I229 | V206-L225 HydrophobicContact CG1-CB 4.11Å; V206-L225 HydrophobicContact CG2-CD2 4.3Å; A222-L225 HydrophobicContact CB-CB 4.08Å; A222-L225 HydrophobicContact CB-CD2 4.49Å; A222-L225 WeakPolarHBondContact O-CB 3.25Å; A222-L225 PolarHBondContact O-N 2.86Å; L225-F227 VanDerWaalsContact C-N 3.26Å; L225-F227 PolarHBondContact O-N 3.14Å; L225-V228 PolarHBondContact O-N 3.35Å; L225-V228 VanDerWaalsContact O-N 3.12Å; L225-I229 HydrophobicContact CG-CD1 4.12Å; L225-I229 WeakPolarHBondContact O-CG1 2.84Å; L225-I229 PolarHBondContact O-N 3.19Å |
| 226 | G | 93.7 | Very high | 82.8 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.6 | -32.4 | 177 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y32 W224 I229 C230 | Y32-G226 VanDerWaalsContact CZ-CA 3.41Å; Y32-G226 WeakPolarHBondContact OH-CA 3.46Å; Y32-G226 PolarHBondContact OH-N 3.29Å; W224-G226 PolarHBondContact O-N 2.89Å; G226-I229 PolarHBondContact O-N 3.42Å; G226-C230 PolarHBondContact O-N 3.44Å; G226-C230 PolarHBondContact O-SG 2.89Å |
| 227 | F | 96.6 | Very high | 85.2 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.5 | -42.6 | 172.8 | -58.2 | -52 | 0 | 0 | 0 | 111.5 | Y29 Y32 I33 V36 I40 M93 L96 A97 W223 W224 L225 I229 C230 A231 | Y29-F227 HydrophobicContact CD2-CD1 4.15Å; Y29-F227 HydrophobicContact CD2-CE1 4.03Å; Y29-F227 HydrophobicContact CE2-CD1 4.4Å; Y29-F227 HydrophobicContact CE2-CE1 4.04Å; Y32-F227 AromaticContact CD1-CD1 3.9Å; Y32-F227 HydrophobicContact CD1-CD1 3.9Å; Y32-F227 AromaticContact CD1-CE1 3.6Å; Y32-F227 HydrophobicContact CD1-CE1 3.6Å; Y32-F227 AromaticContact CD1-CZ 4Å; Y32-F227 HydrophobicContact CD1-CZ 4Å; Y32-F227 HydrophobicContact CE1-CD1 4Å; Y32-F227 HydrophobicContact CE1-CD2 4.26Å; Y32-F227 AromaticContact CE1-CE1 3.87Å; Y32-F227 HydrophobicContact CE1-CE1 3.87Å; Y32-F227 HydrophobicContact CE1-CE2 4.14Å; Y32-F227 HydrophobicContact CE1-CG 4.18Å; Y32-F227 AromaticContact CE1-CZ 3.92Å; Y32-F227 HydrophobicContact CE1-CZ 3.92Å; I33-F227 HydrophobicContact CB-CE1 4.21Å; I33-F227 HydrophobicContact CB-CZ 4.31Å; I33-F227 HydrophobicContact CD1-CZ 4.49Å; I33-F227 HydrophobicContact CG1-CZ 4.26Å; V36-F227 HydrophobicContact CG2-CZ 4.11Å; I40-F227 HydrophobicContact CD1-CZ 4.49Å; M93-F227 HydrophobicContact SD-CD1 4.36Å; L96-F227 HydrophobicContact CB-CB 4.45Å; L96-F227 HydrophobicContact CB-CD1 4.26Å; L96-F227 HydrophobicContact CB-CD2 3.98Å; L96-F227 HydrophobicContact CB-CE2 4.28Å; L96-F227 HydrophobicContact CB-CG 3.99Å; L96-F227 HydrophobicContact CD1-CD1 4.17Å; L96-F227 HydrophobicContact CD1-CE1 4.16Å; A97-F227 HydrophobicContact CB-CB 4.2Å; W223-F227 HydrophobicContact CE3-CD2 4.32Å; W223-F227 AromaticContact CE3-CE2 3.8Å; W223-F227 HydrophobicContact CE3-CE2 3.8Å; W223-F227 HydrophobicContact CZ3-CD2 4.35Å; W223-F227 AromaticContact CZ3-CE2 3.98Å; W223-F227 HydrophobicContact CZ3-CE2 3.98Å; W224-F227 WeakPolarHBondContact O-CB 3.42Å; W224-F227 PolarHBondContact O-N 3.36Å; L225-F227 VanDerWaalsContact C-N 3.26Å; L225-F227 PolarHBondContact O-N 3.14Å; F227-I229 VanDerWaalsContact C-N 3.35Å; F227-I229 PolarHBondContact O-N 3.1Å; F227-C230 PolarHBondContact O-N 2.86Å; F227-A231 WeakPolarHBondContact O-CB 3.49Å; F227-A231 PolarHBondContact O-N 3.21Å |
| 228 | V | 96.5 | Very high | 87.5 | Confident | 27 Ų | 27 | 37.2 Ų | 37.2 | 16% | 0.164 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.3 | -42.7 | 175.6 | 175.5 | 0 | 0 | 0 | 0 | 111.2 | F94 A97 W224 L225 C230 A231 L232 | F94-V228 HydrophobicContact CE1-CG1 4.33Å; A97-V228 HydrophobicContact CB-CG2 3.73Å; W224-V228 HydrophobicContact CE3-CG2 3.77Å; W224-V228 HydrophobicContact CZ3-CG2 4.03Å; W224-V228 PolarHBondContact O-N 2.92Å; L225-V228 PolarHBondContact O-N 3.35Å; L225-V228 VanDerWaalsContact O-N 3.12Å; V228-C230 PolarHBondContact O-N 3.14Å; V228-A231 WeakPolarHBondContact O-CB 3.3Å; V228-A231 PolarHBondContact O-N 3.46Å; V228-L232 HydrophobicContact CG1-CD1 4.12Å; V228-L232 HydrophobicContact CG1-CG 4.43Å; V228-L232 WeakPolarHBondContact O-CG 3.32Å; V228-L232 PolarHBondContact O-N 2.89Å |
| 229 | I | 96.2 | Very high | 89.5 | Confident | 63 Ų | 63 | 40.6 Ų | 40.6 | 32% | 0.323 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -58.3 | -50.2 | 175.4 | -67.8 | 166.6 | 0 | 0 | 0 | 110.1 | L202 L225 G226 F227 A231 L232 L233 | L202-I229 HydrophobicContact CD1-CD1 4.07Å; L225-I229 HydrophobicContact CG-CD1 4.12Å; L225-I229 WeakPolarHBondContact O-CG1 2.84Å; L225-I229 PolarHBondContact O-N 3.19Å; G226-I229 PolarHBondContact O-N 3.42Å; F227-I229 VanDerWaalsContact C-N 3.35Å; F227-I229 PolarHBondContact O-N 3.1Å; I229-A231 VanDerWaalsContact C-N 3.32Å; I229-A231 PolarHBondContact O-N 3.14Å; I229-L232 PolarHBondContact O-N 3.21Å; I229-L233 HydrophobicContact CG2-CD1 3.98Å; I229-L233 HydrophobicContact CG2-CG 4.43Å; I229-L233 VanDerWaalsContact O-CG 3.29Å; I229-L233 WeakPolarHBondContact O-CG 3.49Å; I229-L233 PolarHBondContact O-N 2.88Å |
| 230 | C | 96.8 | Very high | 91.3 | Very high | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.014 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60 | -41.5 | 177.2 | -66 | 0 | 0 | 0 | 0 | 112.1 | I25 M93 G226 F227 V228 L232 L233 Y234 | I25-C230 HydrophobicContact CG2-CB 4.03Å; M93-C230 HydrophobicContact CG-CB 4.15Å; M93-C230 HydrophobicContact SD-CB 4.4Å; G226-C230 PolarHBondContact O-N 3.44Å; G226-C230 PolarHBondContact O-SG 2.89Å; F227-C230 PolarHBondContact O-N 2.86Å; V228-C230 PolarHBondContact O-N 3.14Å; C230-L232 PolarHBondContact O-N 2.93Å; C230-L233 PolarHBondContact O-N 3.43Å; C230-Y234 WeakPolarHBondContact O-CD2 3.25Å; C230-Y234 PolarHBondContact O-N 3.32Å |
| 231 | A | 97.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.6 | -44.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | S90 M93 F94 F227 V228 I229 I235 | S90-A231 WeakPolarHBondContact CB-O 3.21Å; S90-A231 PolarHBondContact OG-O 2.92Å; M93-A231 HydrophobicContact CB-CB 3.63Å; F94-A231 HydrophobicContact CD1-CB 4.02Å; F94-A231 HydrophobicContact CD2-CB 3.75Å; F94-A231 HydrophobicContact CE1-CB 3.85Å; F94-A231 HydrophobicContact CE2-CB 3.57Å; F94-A231 HydrophobicContact CG-CB 3.97Å; F94-A231 HydrophobicContact CZ-CB 3.63Å; F227-A231 WeakPolarHBondContact O-CB 3.49Å; F227-A231 PolarHBondContact O-N 3.21Å; V228-A231 WeakPolarHBondContact O-CB 3.3Å; V228-A231 PolarHBondContact O-N 3.46Å; I229-A231 VanDerWaalsContact C-N 3.32Å; I229-A231 PolarHBondContact O-N 3.14Å; A231-I235 WeakPolarHBondContact O-CG1 3.3Å; A231-I235 PolarHBondContact O-N 3.39Å |
| 232 | L | 97.9 | Very high | 93.7 | Very high | 86 Ų | 86 | 41.1 Ų | 41.1 | 45% | 0.45 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -68.5 | -42.1 | 178.1 | -68.2 | 174.4 | 0 | 0 | 0 | 111.5 | F94 V228 I229 C230 Y234 I235 I236 | F94-L232 HydrophobicContact CZ-CD2 4.17Å; V228-L232 HydrophobicContact CG1-CD1 4.12Å; V228-L232 HydrophobicContact CG1-CG 4.43Å; V228-L232 WeakPolarHBondContact O-CG 3.32Å; V228-L232 PolarHBondContact O-N 2.89Å; I229-L232 PolarHBondContact O-N 3.21Å; C230-L232 PolarHBondContact O-N 2.93Å; L232-Y234 VanDerWaalsContact C-N 3.33Å; L232-Y234 PolarHBondContact O-N 3.05Å; L232-I235 PolarHBondContact O-N 3.32Å; L232-I236 VanDerWaalsContact O-CG1 3.29Å; L232-I236 WeakPolarHBondContact O-CG1 3.39Å; L232-I236 PolarHBondContact O-N 2.93Å |
| 233 | L | 97.1 | Very high | 94 | Very high | 62 Ų | 62 | 45.8 Ų | 45.8 | 33% | 0.325 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -60.6 | -43.2 | 176.1 | -68.6 | 174.1 | 0 | 0 | 0 | 111.3 | I25 I229 C230 I235 I236 F237 | I25-L233 HydrophobicContact CD1-CB 3.66Å; I25-L233 HydrophobicContact CG1-CB 4.23Å; I25-L233 HydrophobicContact CG1-CD1 4.35Å; I229-L233 HydrophobicContact CG2-CD1 3.98Å; I229-L233 HydrophobicContact CG2-CG 4.43Å; I229-L233 VanDerWaalsContact O-CG 3.29Å; I229-L233 WeakPolarHBondContact O-CG 3.49Å; I229-L233 PolarHBondContact O-N 2.88Å; C230-L233 PolarHBondContact O-N 3.43Å; L233-I235 VanDerWaalsContact C-N 3.34Å; L233-I235 PolarHBondContact O-N 2.92Å; L233-I236 PolarHBondContact O-N 2.79Å; L233-F237 HydrophobicContact CB-CD2 4.42Å; L233-F237 HydrophobicContact CD2-CE2 4.11Å; L233-F237 WeakPolarHBondContact O-CD2 3.22Å; L233-F237 PolarHBondContact O-N 2.81Å |
| 234 | Y | 97.7 | Very high | 93.9 | Very high | 4 Ų | 4 | 46 Ų | 46 | 2% | 0.016 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.3 | -43.4 | 174.1 | -78.1 | -49 | 0 | 0 | 0 | 112.7 | V22 I25 Q26 V86 M93 C230 L232 S238 | V22-Y234 HydrophobicContact CG1-CE1 4.15Å; I25-Y234 HydrophobicContact CB-CD1 4.39Å; I25-Y234 HydrophobicContact CB-CE1 3.85Å; I25-Y234 HydrophobicContact CD1-CD1 4.31Å; I25-Y234 HydrophobicContact CG2-CD1 4.02Å; I25-Y234 HydrophobicContact CG2-CD2 4.06Å; I25-Y234 HydrophobicContact CG2-CE1 3.63Å; I25-Y234 HydrophobicContact CG2-CE2 3.66Å; I25-Y234 HydrophobicContact CG2-CG 4.23Å; I25-Y234 VanDerWaalsContact CG2-CZ 3.45Å; Q26-Y234 WeakPolarHBondContact CA-OH 3.38Å; Q26-Y234 WeakPolarHBondContact CB-OH 3.21Å; Q26-Y234 PolarHBondContact N-OH 2.75Å; Q26-Y234 VanDerWaalsContact N-OH 3.17Å; V86-Y234 HydrophobicContact CG1-CD1 3.82Å; V86-Y234 HydrophobicContact CG1-CG 4.31Å; V86-Y234 WeakPolarHBondContact CG1-O 3.38Å; M93-Y234 HydrophobicContact CG-CD2 4.17Å; M93-Y234 HydrophobicContact CG-CE2 3.99Å; C230-Y234 WeakPolarHBondContact O-CD2 3.25Å; C230-Y234 PolarHBondContact O-N 3.32Å; L232-Y234 VanDerWaalsContact C-N 3.33Å; L232-Y234 PolarHBondContact O-N 3.05Å; Y234-S238 WeakPolarHBondContact O-CB 3.4Å; Y234-S238 PolarHBondContact O-N 3.39Å; Y234-S238 PolarHBondContact O-OG 3.36Å |
| 235 | I | 97 | Very high | 93.3 | Very high | 65 Ų | 65 | 44.8 Ų | 44.8 | 33% | 0.333 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -60.4 | -50.2 | 175.7 | -69.2 | 169.5 | 0 | 0 | 0 | 110.3 | S90 F94 A231 L232 L233 F237 S238 I239 | S90-I235 WeakPolarHBondContact OG-CD1 3.35Å; S90-I235 WeakPolarHBondContact OG-CG1 3.49Å; F94-I235 HydrophobicContact CE2-CD1 3.91Å; F94-I235 HydrophobicContact CZ-CD1 4.42Å; A231-I235 WeakPolarHBondContact O-CG1 3.3Å; A231-I235 PolarHBondContact O-N 3.39Å; L232-I235 PolarHBondContact O-N 3.32Å; L233-I235 VanDerWaalsContact C-N 3.34Å; L233-I235 PolarHBondContact O-N 2.92Å; I235-F237 VanDerWaalsContact C-N 3.35Å; I235-F237 PolarHBondContact O-N 3.5Å; I235-S238 PolarHBondContact O-N 2.89Å; I235-S238 PolarHBondContact O-OG 3.09Å; I235-I239 WeakPolarHBondContact O-CG1 3.46Å; I235-I239 PolarHBondContact O-N 3.41Å |
| 236 | I | 96.8 | Very high | 92.3 | Very high | 98 Ų | 98 | 48.7 Ų | 48.7 | 50% | 0.503 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -56.9 | -47.8 | -178.3 | -69 | 165.8 | 0 | 0 | 0 | 111 | L232 L233 P240 | L232-I236 VanDerWaalsContact O-CG1 3.29Å; L232-I236 WeakPolarHBondContact O-CG1 3.39Å; L232-I236 PolarHBondContact O-N 2.93Å; L233-I236 PolarHBondContact O-N 2.79Å; I236-P240 WeakPolarHBondContact O-CD 3.43Å |
| 237 | F | 94.8 | Very high | 90.9 | Very high | 48 Ų | 48 | 57.7 Ų | 57.7 | 21% | 0.211 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -81 | -17.2 | -177.2 | -69 | -68.3 | 0 | 0 | 0 | 113.9 | L18 I21 V22 I25 L233 I235 P240 L241 | L18-F237 HydrophobicContact CD2-CD1 3.82Å; L18-F237 HydrophobicContact CD2-CE1 4.38Å; I21-F237 HydrophobicContact CD1-CD1 4.34Å; I21-F237 HydrophobicContact CD1-CE1 3.75Å; I21-F237 HydrophobicContact CD1-CZ 4.12Å; I21-F237 HydrophobicContact CG2-CD1 4.14Å; I21-F237 HydrophobicContact CG2-CD2 3.66Å; I21-F237 HydrophobicContact CG2-CE1 3.98Å; I21-F237 HydrophobicContact CG2-CE2 3.49Å; I21-F237 VanDerWaalsContact CG2-CE2 3.49Å; I21-F237 HydrophobicContact CG2-CG 4.01Å; I21-F237 HydrophobicContact CG2-CZ 3.67Å; V22-F237 HydrophobicContact CG2-CB 4.32Å; I25-F237 HydrophobicContact CD1-CD2 3.82Å; I25-F237 HydrophobicContact CD1-CE2 4.33Å; L233-F237 HydrophobicContact CB-CD2 4.42Å; L233-F237 HydrophobicContact CD2-CE2 4.11Å; L233-F237 WeakPolarHBondContact O-CD2 3.22Å; L233-F237 PolarHBondContact O-N 2.81Å; I235-F237 VanDerWaalsContact C-N 3.35Å; I235-F237 PolarHBondContact O-N 3.5Å; F237-P240 WeakPolarHBondContact O-CD 3.46Å; F237-P240 WeakPolarHBondContact O-CG 3.41Å; F237-L241 WeakPolarHBondContact O-CD1 3.37Å; F237-L241 WeakPolarHBondContact O-CG 3.32Å |
| 238 | S | 94.2 | Very high | 89.4 | Confident | 5 Ų | 5 | 59.3 Ų | 59.3 | 4% | 0.035 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -68.8 | -34.2 | 172.8 | 74.5 | 0 | 0 | 0 | 0 | 113.3 | L87 Y234 I235 L241 F242 | L87-S238 VanDerWaalsContact CD2-OG 3.28Å; L87-S238 WeakPolarHBondContact CD2-OG 3.36Å; Y234-S238 WeakPolarHBondContact O-CB 3.4Å; Y234-S238 PolarHBondContact O-N 3.39Å; Y234-S238 PolarHBondContact O-OG 3.36Å; I235-S238 PolarHBondContact O-N 2.89Å; I235-S238 PolarHBondContact O-OG 3.09Å; S238-L241 PolarHBondContact O-N 2.7Å; S238-F242 PolarHBondContact O-N 2.9Å; S238-F242 VanDerWaalsContact O-N 3.16Å |
| 239 | I | 92.5 | Very high | 87.3 | Confident | 112 Ų | 112 | 64 Ų | 64 | 57% | 0.574 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -59.6 | -54.2 | -177.8 | -63.9 | 165.4 | 0 | 0 | 0 | 112.2 | I235 L241 F242 | I235-I239 WeakPolarHBondContact O-CG1 3.46Å; I235-I239 PolarHBondContact O-N 3.41Å; I239-L241 VanDerWaalsContact C-N 3.29Å; I239-L241 PolarHBondContact O-N 2.93Å; I239-F242 WeakPolarHBondContact O-CB 3.08Å; I239-F242 PolarHBondContact O-N 3.49Å |
| 240 | P | 90.7 | Very high | 85.2 | Confident | 41 Ų | 41 | 65.5 Ų | 65.5 | 27% | 0.266 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -66.8 | -31 | 178.5 | 26.4 | -34.9 | 0 | 0 | 0 | 112.5 | L18 I236 F237 F242 L243 F244 | L18-P240 HydrophobicContact CD1-CB 3.97Å; L18-P240 HydrophobicContact CD1-CG 4.07Å; L18-P240 HydrophobicContact CD2-CG 4.05Å; I236-P240 WeakPolarHBondContact O-CD 3.43Å; F237-P240 WeakPolarHBondContact O-CD 3.46Å; F237-P240 WeakPolarHBondContact O-CG 3.41Å; P240-F242 PolarHBondContact O-N 2.8Å; P240-L243 WeakPolarHBondContact O-CB 3.33Å; P240-L243 PolarHBondContact O-N 3.38Å; P240-F244 WeakPolarHBondContact O-CD2 3.44Å; P240-F244 WeakPolarHBondContact O-CE2 3.19Å |
| 241 | L | 89.8 | Confident | 82.6 | Confident | 0 Ų | 0 | 74.8 Ų | 74.8 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -63.9 | -29 | 176.9 | -74.8 | 172.9 | 0 | 0 | 0 | 112.5 | F15 L18 M19 V22 V83 F237 S238 I239 L243 F244 | F15-L241 HydrophobicContact CD2-CD2 3.79Å; F15-L241 HydrophobicContact CE2-CD2 3.75Å; L18-L241 HydrophobicContact CB-CD2 3.79Å; L18-L241 HydrophobicContact CB-CG 4.22Å; L18-L241 HydrophobicContact CD1-CD2 4.04Å; L18-L241 HydrophobicContact CD1-CG 4.3Å; M19-L241 HydrophobicContact SD-CD1 3.97Å; M19-L241 HydrophobicContact SD-CD2 3.91Å; V22-L241 HydrophobicContact CG2-CD1 3.95Å; V83-L241 HydrophobicContact CG2-CB 3.5Å; V83-L241 VanDerWaalsContact CG2-CB 3.5Å; F237-L241 WeakPolarHBondContact O-CD1 3.37Å; F237-L241 WeakPolarHBondContact O-CG 3.32Å; S238-L241 PolarHBondContact O-N 2.7Å; I239-L241 VanDerWaalsContact C-N 3.29Å; I239-L241 PolarHBondContact O-N 2.93Å; L241-L243 PolarHBondContact O-N 3.48Å; L241-F244 PolarHBondContact O-N 3.44Å |
| 242 | F | 89.1 | Confident | 80 | Confident | 123 Ų | 123 | 77.9 Ų | 77.9 | 54% | 0.539 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -22.6 | 177.3 | -167.2 | -97.2 | 0 | 0 | 0 | 113.5 | V83 S238 I239 P240 F244 | V83-F242 HydrophobicContact CG1-CB 4.47Å; V83-F242 HydrophobicContact CG1-CD2 4.12Å; V83-F242 HydrophobicContact CG2-CB 4.43Å; S238-F242 PolarHBondContact O-N 2.9Å; S238-F242 VanDerWaalsContact O-N 3.16Å; I239-F242 WeakPolarHBondContact O-CB 3.08Å; I239-F242 PolarHBondContact O-N 3.49Å; P240-F242 PolarHBondContact O-N 2.8Å; F242-F244 VanDerWaalsContact C-N 3.3Å; F242-F244 PolarHBondContact O-N 2.87Å |
| 243 | L | 88.4 | Confident | 77.3 | Confident | 106 Ų | 106 | 80.2 Ų | 80.2 | 56% | 0.555 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -9.9 | -176.6 | -59.1 | 174.4 | 0 | 0 | 0 | 113.6 | I10 P240 L241 | I10-L243 HydrophobicContact CD1-CB 4.5Å; P240-L243 WeakPolarHBondContact O-CB 3.33Å; P240-L243 PolarHBondContact O-N 3.38Å; L241-L243 PolarHBondContact O-N 3.48Å |
| 244 | F | 85.3 | Confident | 75 | Confident | 7 Ų | 7 | 81.8 Ų | 81.8 | 3% | 0.031 | 41% | 0.41 | C | S | . | . | trans | -77.9 | 137 | -174.4 | -76.1 | -93.5 | 0 | 0 | 0 | 113.4 | I10 L14 F15 L18 P79 P240 L241 F242 F248 | I10-F244 HydrophobicContact CG2-CD1 3.6Å; I10-F244 HydrophobicContact CG2-CE1 3.81Å; I10-F244 HydrophobicContact CG2-CG 4.25Å; L14-F244 HydrophobicContact CB-CZ 4.24Å; L14-F244 HydrophobicContact CD2-CZ 4.16Å; L14-F244 HydrophobicContact CG-CZ 4.09Å; F15-F244 HydrophobicContact CB-CD1 3.93Å; F15-F244 HydrophobicContact CB-CE1 3.55Å; F15-F244 HydrophobicContact CB-CZ 3.89Å; F15-F244 HydrophobicContact CD2-CB 4.3Å; F15-F244 AromaticContact CD2-CD1 3.91Å; F15-F244 HydrophobicContact CD2-CD1 3.91Å; F15-F244 HydrophobicContact CD2-CD2 4.01Å; F15-F244 HydrophobicContact CD2-CE1 4.24Å; F15-F244 HydrophobicContact CD2-CE2 4.3Å; F15-F244 AromaticContact CD2-CG 3.79Å; F15-F244 HydrophobicContact CD2-CG 3.79Å; F15-F244 HydrophobicContact CD2-CZ 4.41Å; F15-F244 HydrophobicContact CG-CD1 4.35Å; F15-F244 HydrophobicContact CG-CE1 4.39Å; L18-F244 HydrophobicContact CD1-CE2 3.79Å; L18-F244 HydrophobicContact CD1-CZ 4.19Å; P79-F244 HydrophobicContact CB-CB 4.2Å; P79-F244 HydrophobicContact CG-CB 4.3Å; P240-F244 WeakPolarHBondContact O-CD2 3.44Å; P240-F244 WeakPolarHBondContact O-CE2 3.19Å; L241-F244 PolarHBondContact O-N 3.44Å; F242-F244 VanDerWaalsContact C-N 3.3Å; F242-F244 PolarHBondContact O-N 2.87Å; F244-F248 AromaticContact CD1-CZ 4Å; F244-F248 HydrophobicContact CD1-CZ 4Å; F244-F248 HydrophobicContact CE1-CZ 4.33Å | ||
| 245 | P | 78.7 | Confident | 72.5 | Confident | 38 Ų | 38 | 89.8 Ų | 89.8 | 25% | 0.247 | 45% | 0.447 | C | S | . | . | trans | -75 | 158.7 | -177.8 | 31.3 | -36.6 | 0 | 0 | 0 | 113 | I10 Y171 R247 F248 | I10-P245 HydrophobicContact CG2-CG 4.4Å; Y171-P245 PolarHBondContact OH-O 3.3Å; P245-R247 VanDerWaalsContact C-N 3.26Å; P245-R247 PolarHBondContact O-N 3.43Å; P245-F248 HydrophobicContact CG-CD1 4.49Å; P245-F248 HydrophobicContact CG-CE1 4.37Å | ||
| 246 | R | 71 | Confident | 70.3 | Confident | 136 Ų | 136 | 90.1 Ų | 90.1 | 51% | 0.513 | 45% | 0.449 | S | S | . | . | S | Bend | trans | -55.4 | -37.2 | 179.3 | -167.3 | 176.1 | -179.1 | -175 | 0.3 | 113.7 | D75 H77 | D75-R246 PolarHBondContact O-NH2 3.3Å; H77-R246 PolarHBondContact NE2-N 3.36Å |
| 247 | R | 65.2 | Low | 67.9 | Low | 188 Ų | 188 | 91.3 Ų | 91.3 | 71% | 0.709 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -146.9 | 141.5 | 176.7 | -65.1 | -176.4 | -179.9 | 172.9 | -1.7 | 107.5 | P245 | P245-R247 VanDerWaalsContact C-N 3.26Å; P245-R247 PolarHBondContact O-N 3.43Å |
| 248 | F | 64.8 | Low | 65.6 | Low | 35 Ų | 35 | 90.8 Ų | 90.8 | 15% | 0.154 | 46% | 0.461 | C | S | . | . | trans | -70.2 | 142.3 | 161.9 | -71.6 | -81.7 | 0 | 0 | 0 | 108.2 | I10 I12 Y171 N175 F244 P245 I250 | I10-F248 HydrophobicContact CG2-CE1 4.13Å; I10-F248 HydrophobicContact CG2-CZ 4.34Å; I10-F248 WeakPolarHBondContact O-CE1 3.48Å; I12-F248 HydrophobicContact CB-CD2 4.43Å; I12-F248 HydrophobicContact CB-CE2 3.98Å; I12-F248 HydrophobicContact CB-CZ 4.38Å; I12-F248 HydrophobicContact CD1-CD2 4.46Å; I12-F248 HydrophobicContact CD1-CE2 3.89Å; I12-F248 HydrophobicContact CG1-CE2 4.48Å; Y171-F248 HydrophobicContact CE1-CE2 4.23Å; Y171-F248 WeakPolarHBondContact OH-CE2 3.49Å; N175-F248 HydrophobicContact CB-CD2 3.87Å; N175-F248 WeakPolarHBondContact OD1-CD2 3.5Å; N175-F248 PolarHBondContact OD1-N 3.1Å; F244-F248 AromaticContact CD1-CZ 4Å; F244-F248 HydrophobicContact CD1-CZ 4Å; F244-F248 HydrophobicContact CE1-CZ 4.33Å; P245-F248 HydrophobicContact CG-CD1 4.49Å; P245-F248 HydrophobicContact CG-CE1 4.37Å; F248-I250 VanDerWaalsContact C-N 3.32Å; F248-I250 PolarHBondContact O-N 2.75Å | ||
| 249 | P | 51.1 | Low | 63.2 | Low | 125 Ų | 125 | 96 Ų | 96 | 81% | 0.812 | 49% | 0.486 | S | S | * | . | trans | -62.3 | 101.7 | 166.2 | 25.7 | -29.9 | 0 | 0 | 0 | 106.9 | E251 | P249-E251 PolarHBondContact O-N 3.49Š| ||
| 250 | I | 52.7 | Low | 61 | Low | 95 Ų | 95 | 95.8 Ų | 95.8 | 49% | 0.487 | 49% | 0.486 | S | S | . | . | trans | -70.1 | 122 | 176.5 | -47.8 | 172.1 | 0 | 0 | 0 | 106 | F248 M252 | F248-I250 VanDerWaalsContact C-N 3.32Å; F248-I250 PolarHBondContact O-N 2.75Å; I250-M252 HydrophobicContact CB-CG 3.78Å; I250-M252 HydrophobicContact CB-SD 4.25Å; I250-M252 HydrophobicContact CD1-SD 4.16Å; I250-M252 HydrophobicContact CG2-CB 4.42Å; I250-M252 HydrophobicContact CG2-CG 3.43Å; I250-M252 VanDerWaalsContact CG2-CG 3.43Å; I250-M252 HydrophobicContact CG2-SD 4.38Å; I250-M252 PolarHBondContact O-N 3.3Å | ||
| 251 | E | 41.9 | Very low | 58.8 | Low | 197 Ų | 197 | 99.4 Ų | 99.4 | 92% | 0.921 | 50% | 0.502 | S | S | * | . | trans | -68.2 | 77.9 | 160.2 | -73.8 | -179.6 | 171.8 | 0 | 0 | 107.2 | P249 N253 | P249-E251 PolarHBondContact O-N 3.49Å; E251-N253 PolarHBondContact O-N 2.99Å | ||
| 252 | M | 42.8 | Very low | 56.8 | Low | 64 Ų | 64 | 106.1 Ų | 106.1 | 32% | 0.315 | 54% | 0.537 | S | S | . | . | trans | -78.6 | 117.9 | 177.9 | -83.1 | 169.5 | 72.7 | 0 | 0 | 109.4 | I250 L256 Q257 | I250-M252 HydrophobicContact CB-CG 3.78Å; I250-M252 HydrophobicContact CB-SD 4.25Å; I250-M252 HydrophobicContact CD1-SD 4.16Å; I250-M252 HydrophobicContact CG2-CB 4.42Å; I250-M252 HydrophobicContact CG2-CG 3.43Å; I250-M252 VanDerWaalsContact CG2-CG 3.43Å; I250-M252 HydrophobicContact CG2-SD 4.38Å; I250-M252 PolarHBondContact O-N 3.3Å; M252-L256 HydrophobicContact CE-CB 3.93Å; M252-L256 HydrophobicContact CE-CD2 4.19Å; M252-L256 HydrophobicContact CE-CG 4.43Å; M252-L256 HydrophobicContact CG-CB 4.49Å; M252-L256 HydrophobicContact CG-CD2 4.13Å; M252-Q257 HydrophobicContact CE-CB 4.14Å; M252-Q257 HydrophobicContact CE-CG 4.44Å | ||
| 253 | N | 42.2 | Very low | 55 | Low | 136 Ų | 136 | 104.5 Ų | 104.5 | 73% | 0.727 | 53% | 0.534 | S | S | * | . | trans | -59.7 | 139.5 | 156.5 | -78.7 | -20.6 | 0 | 0 | 0 | 109.1 | E251 H255 L256 | E251-N253 PolarHBondContact O-N 2.99Å; N253-H255 PolarHBondContact O-N 3.5Å; N253-L256 PolarHBondContact O-N 3.37Å | ||
| 254 | S | 48.2 | Very low | 53.2 | Low | 95 Ų | 95 | 102.2 Ų | 102.2 | 66% | 0.664 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -50.1 | -24 | -177.3 | 50 | 0 | 0 | 0 | 0 | 115.3 | L256 Q257 | S254-L256 PolarHBondContact O-N 3.37Å; S254-Q257 PolarHBondContact O-N 3.2Å |
| 255 | H | 45.2 | Very low | 51 | Low | 172 Ų | 172 | 105.5 Ų | 105.5 | 80% | 0.796 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -64.9 | -33.7 | 175.2 | -81.7 | -77.1 | 0 | 0 | 0 | 114 | N253 Q257 G258 | N253-H255 PolarHBondContact O-N 3.5Å; H255-Q257 VanDerWaalsContact C-N 3.33Å; H255-Q257 PolarHBondContact O-N 2.94Å; H255-G258 PolarHBondContact O-N 3.49Å |
| 256 | L | 50.6 | Low | 49.4 | Very low | 72 Ų | 72 | 110.4 Ų | 110.4 | 38% | 0.377 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -74.8 | -27.4 | -177.3 | -144.9 | 83.3 | 0 | 0 | 0 | 111.9 | M252 N253 S254 G258 M259 L260 | M252-L256 HydrophobicContact CE-CB 3.93Å; M252-L256 HydrophobicContact CE-CD2 4.19Å; M252-L256 HydrophobicContact CE-CG 4.43Å; M252-L256 HydrophobicContact CG-CB 4.49Å; M252-L256 HydrophobicContact CG-CD2 4.13Å; N253-L256 PolarHBondContact O-N 3.37Å; S254-L256 PolarHBondContact O-N 3.37Å; L256-G258 VanDerWaalsContact C-N 3.33Å; L256-M259 PolarHBondContact O-N 2.87Å; L256-L260 PolarHBondContact O-N 2.85Å |
| 257 | Q | 47 | Very low | 48.1 | Very low | 123 Ų | 123 | 109.2 Ų | 109.2 | 58% | 0.575 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -68.4 | -34 | 178.4 | -152.7 | 164.9 | 3.1 | 0 | 0 | 111.7 | M252 S254 H255 L261 | M252-Q257 HydrophobicContact CE-CB 4.14Å; M252-Q257 HydrophobicContact CE-CG 4.44Å; S254-Q257 PolarHBondContact O-N 3.2Å; H255-Q257 VanDerWaalsContact C-N 3.33Å; H255-Q257 PolarHBondContact O-N 2.94Å; Q257-L261 WeakPolarHBondContact O-CB 3.38Å; Q257-L261 WeakPolarHBondContact O-CG 3.15Å; Q257-L261 PolarHBondContact O-N 2.91Å |
| 258 | G | 45.7 | Very low | 47.1 | Very low | 37 Ų | 37 | 107.5 Ų | 107.5 | 38% | 0.381 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -67.1 | -40.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | H255 L256 L261 L262 | H255-G258 PolarHBondContact O-N 3.49Å; L256-G258 VanDerWaalsContact C-N 3.33Å; G258-L261 PolarHBondContact O-N 3.34Å; G258-L262 WeakPolarHBondContact O-CG 3.49Å; G258-L262 PolarHBondContact O-N 3.45Å; G258-L262 VanDerWaalsContact O-N 3.09Å |
| 259 | M | 45.1 | Very low | 46.2 | Very low | 115 Ų | 115 | 109.7 Ų | 109.7 | 57% | 0.567 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -73.1 | -36.1 | -179.7 | -163.9 | 166.7 | 150.3 | 0 | 0 | 112.5 | L256 L262 L263 | L256-M259 PolarHBondContact O-N 2.87Å; M259-L262 WeakPolarHBondContact O-CB 3.27Å; M259-L262 PolarHBondContact O-N 2.97Å; M259-L263 PolarHBondContact O-N 3.47Å; M259-L263 VanDerWaalsContact O-N 3.07Å |
| 260 | L | 45.6 | Very low | 46 | Very low | 107 Ų | 107 | 107.4 Ų | 107.4 | 56% | 0.56 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -67.6 | -35 | 173.7 | -134.7 | 87.6 | 0 | 0 | 0 | 112.3 | L256 L262 L263 S264 | L256-L260 PolarHBondContact O-N 2.85Å; L260-L262 VanDerWaalsContact C-N 3.35Å; L260-L263 PolarHBondContact O-N 3.36Å; L260-S264 PolarHBondContact O-N 3.45Å |
| 261 | L | 45.5 | Very low | 45.7 | Very low | 117 Ų | 117 | 107.8 Ų | 107.8 | 61% | 0.613 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -67.5 | -34.8 | 172.8 | -80.5 | 167.6 | 0 | 0 | 0 | 112 | Q257 G258 L263 S264 | Q257-L261 WeakPolarHBondContact O-CB 3.38Å; Q257-L261 WeakPolarHBondContact O-CG 3.15Å; Q257-L261 PolarHBondContact O-N 2.91Å; G258-L261 PolarHBondContact O-N 3.34Å; L261-L263 VanDerWaalsContact C-N 3.28Å; L261-L263 PolarHBondContact O-N 2.98Å; L261-S264 WeakPolarHBondContact O-CB 3.44Å; L261-S264 PolarHBondContact O-N 2.92Å; L261-S264 PolarHBondContact O-OG 3.38Å |
| 262 | L | 47.9 | Very low | 46.2 | Very low | 140 Ų | 140 | 100.4 Ų | 100.4 | 73% | 0.733 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -68.4 | -24.7 | 171.3 | -71 | 168.8 | 0 | 0 | 0 | 113.2 | G258 M259 L260 P265 | G258-L262 WeakPolarHBondContact O-CG 3.49Å; G258-L262 PolarHBondContact O-N 3.45Å; G258-L262 VanDerWaalsContact O-N 3.09Å; M259-L262 WeakPolarHBondContact O-CB 3.27Å; M259-L262 PolarHBondContact O-N 2.97Å; L260-L262 VanDerWaalsContact C-N 3.35Å; L262-P265 WeakPolarHBondContact O-CD 3.49Å |
| 263 | L | 50.6 | Low | 46.7 | Very low | 90 Ų | 90 | 101.5 Ų | 101.5 | 47% | 0.471 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -86.5 | -16.9 | 174.1 | -78.3 | 155.8 | 0 | 0 | 0 | 113.4 | M259 L260 L261 P265 F266 | M259-L263 PolarHBondContact O-N 3.47Å; M259-L263 VanDerWaalsContact O-N 3.07Å; L260-L263 PolarHBondContact O-N 3.36Å; L261-L263 VanDerWaalsContact C-N 3.28Å; L261-L263 PolarHBondContact O-N 2.98Å; L263-P265 VanDerWaalsContact C-N 3.32Å; L263-F266 HydrophobicContact CD2-CD2 4.46Å; L263-F266 WeakPolarHBondContact O-CB 3.36Å; L263-F266 PolarHBondContact O-N 3.17Å |
| 264 | S | 49.4 | Very low | 47.5 | Very low | 57 Ų | 57 | 98.5 Ų | 98.5 | 40% | 0.399 | 54% | 0.538 | S | S | . | . | G | 310 helix | trans | -56.9 | -28 | 176.9 | 76 | 0 | 0 | 0 | 0 | 116.3 | L260 L261 F266 L267 | L260-S264 PolarHBondContact O-N 3.45Å; L261-S264 WeakPolarHBondContact O-CB 3.44Å; L261-S264 PolarHBondContact O-N 2.92Å; L261-S264 PolarHBondContact O-OG 3.38Å; S264-F266 PolarHBondContact O-N 2.7Å; S264-L267 PolarHBondContact O-N 3.11Å |
| 265 | P | 40 | Very low | 48.2 | Very low | 77 Ų | 77 | 98.2 Ų | 98.2 | 50% | 0.5 | 54% | 0.536 | S | S | . | . | G | 310 helix | trans | -62.5 | -20.9 | 172.3 | -19.7 | 32.7 | 0 | 0 | 0 | 113.7 | L262 L263 | L262-P265 WeakPolarHBondContact O-CD 3.49Å; L263-P265 VanDerWaalsContact C-N 3.32Å |
| 266 | F | 44 | Very low | 49.3 | Very low | 140 Ų | 140 | 92.4 Ų | 92.4 | 61% | 0.614 | 52% | 0.518 | S | S | * | . | G | 310 helix | trans | -70.9 | -31.4 | 177.4 | -90 | -92.1 | 0 | 0 | 0 | 113.2 | L263 S264 L269 | L263-F266 HydrophobicContact CD2-CD2 4.46Å; L263-F266 WeakPolarHBondContact O-CB 3.36Å; L263-F266 PolarHBondContact O-N 3.17Å; S264-F266 PolarHBondContact O-N 2.7Å; F266-L269 WeakPolarHBondContact O-CB 3.28Å; F266-L269 PolarHBondContact O-N 2.66Å |
| 267 | L | 44.1 | Very low | 50.6 | Low | 111 Ų | 111 | 92.2 Ų | 92.2 | 58% | 0.581 | 52% | 0.517 | S | S | * | . | G | 310 helix | trans | -72.4 | -28.9 | 178.2 | -84.5 | 155.1 | 0 | 0 | 0 | 112.8 | S264 L269 F270 | S264-L267 PolarHBondContact O-N 3.11Å; L267-L269 PolarHBondContact O-N 3.09Å; L267-F270 HydrophobicContact CD2-CE2 4.27Å; L267-F270 WeakPolarHBondContact O-CD2 3.46Å |
| 268 | L | 45.1 | Very low | 52.3 | Low | 152 Ų | 152 | 89.9 Ų | 89.9 | 80% | 0.796 | 51% | 0.513 | S | S | * | . | G | 310 helix | trans | -77 | -9.1 | 174.1 | -70 | 169.8 | 0 | 0 | 0 | 112.8 | F270 P271 | L268-F270 VanDerWaalsContact C-N 3.32Å; L268-F270 PolarHBondContact O-N 3.44Å; L268-P271 WeakPolarHBondContact O-CD 3.16Å |
| 269 | L | 44.8 | Very low | 54 | Low | 82 Ų | 82 | 91.2 Ų | 91.2 | 43% | 0.429 | 52% | 0.52 | S | S | . | . | G | 310 helix | trans | -88.6 | 12.7 | 179.4 | -150.4 | 75.2 | 0 | 0 | 0 | 112.9 | F266 L267 S272 L273 | F266-L269 WeakPolarHBondContact O-CB 3.28Å; F266-L269 PolarHBondContact O-N 2.66Å; L267-L269 PolarHBondContact O-N 3.09Å; L269-S272 WeakPolarHBondContact CA-OG 3.49Å; L269-S272 WeakPolarHBondContact CD1-OG 3.42Å; L269-S272 WeakPolarHBondContact CG-OG 3.34Å; L269-S272 CarbonylContact O-C 3.47Å; L269-S272 PolarHBondContact O-N 3.38Å; L269-S272 PolarHBondContact O-OG 3.14Å; L269-L273 VanDerWaalsContact O-CB 3.3Å; L269-L273 WeakPolarHBondContact O-CB 3.44Å; L269-L273 PolarHBondContact O-N 3.15Å |
| 270 | F | 48.7 | Very low | 55.8 | Low | 76 Ų | 76 | 86.6 Ų | 86.6 | 33% | 0.333 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.3 | -41.1 | 176.1 | -103.5 | -90.8 | 0 | 0 | 0 | 114.2 | Y71 L267 L268 S272 L273 C274 | Y71-F270 HydrophobicContact CE2-CE1 4.5Å; L267-F270 HydrophobicContact CD2-CE2 4.27Å; L267-F270 WeakPolarHBondContact O-CD2 3.46Å; L268-F270 VanDerWaalsContact C-N 3.32Å; L268-F270 PolarHBondContact O-N 3.44Å; F270-S272 VanDerWaalsContact C-N 3.34Å; F270-S272 PolarHBondContact O-N 3.13Å; F270-L273 PolarHBondContact O-N 3.01Å; F270-C274 PolarHBondContact O-N 3.25Å |
| 271 | P | 45.5 | Very low | 57.7 | Low | 103 Ų | 103 | 83.7 Ų | 83.7 | 67% | 0.669 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -65.9 | -36.9 | 175.4 | -19.9 | 32.1 | 0 | 0 | 0 | 112.7 | L268 | L268-P271 WeakPolarHBondContact O-CD 3.16Å |
| 272 | S | 52.5 | Low | 59.8 | Low | 42 Ų | 42 | 82.2 Ų | 82.2 | 29% | 0.294 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -79.4 | -21.1 | 177 | 21.2 | 0 | 0 | 0 | 0 | 113 | L269 F270 S275 A276 | L269-S272 WeakPolarHBondContact CA-OG 3.49Å; L269-S272 WeakPolarHBondContact CD1-OG 3.42Å; L269-S272 WeakPolarHBondContact CG-OG 3.34Å; L269-S272 CarbonylContact O-C 3.47Å; L269-S272 PolarHBondContact O-N 3.38Å; L269-S272 PolarHBondContact O-OG 3.14Å; F270-S272 VanDerWaalsContact C-N 3.34Å; F270-S272 PolarHBondContact O-N 3.13Å; S272-S275 WeakPolarHBondContact CA-OG 3.35Å; S272-S275 PolarHBondContact O-N 3.47Å; S272-S275 PolarHBondContact O-OG 2.84Å; S272-S275 VanDerWaalsContact O-OG 3.05Å; S272-A276 WeakPolarHBondContact O-CB 3.29Å; S272-A276 PolarHBondContact O-N 3.26Å |
| 273 | L | 53.6 | Low | 61.6 | Low | 87 Ų | 87 | 79 Ų | 79 | 46% | 0.455 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -67.3 | -40.2 | 172.7 | -172.3 | 67 | 0 | 0 | 0 | 110.5 | L269 F270 S275 A276 L277 | L269-L273 VanDerWaalsContact O-CB 3.3Å; L269-L273 WeakPolarHBondContact O-CB 3.44Å; L269-L273 PolarHBondContact O-N 3.15Å; F270-L273 PolarHBondContact O-N 3.01Å; L273-S275 VanDerWaalsContact C-N 3.28Å; L273-S275 PolarHBondContact O-N 3.44Å; L273-A276 PolarHBondContact O-N 2.9Å; L273-L277 WeakPolarHBondContact O-CB 3.37Å; L273-L277 PolarHBondContact O-N 3.46Å |
| 274 | C | 58.4 | Low | 63.4 | Low | 74 Ų | 74 | 74.8 Ų | 74.8 | 50% | 0.5 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -63.3 | -32.7 | 175.6 | -73.7 | 0 | 0 | 0 | 0 | 113 | F270 P278 | F270-C274 PolarHBondContact O-N 3.25Å; C274-P278 WeakPolarHBondContact O-CD 3.13Å |
| 275 | S | 62.4 | Low | 65.4 | Low | 88 Ų | 88 | 76.1 Ų | 76.1 | 62% | 0.615 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -85.3 | -29 | 175.2 | 59.3 | 0 | 0 | 0 | 0 | 113.4 | S272 L273 | S272-S275 WeakPolarHBondContact CA-OG 3.35Å; S272-S275 PolarHBondContact O-N 3.47Å; S272-S275 PolarHBondContact O-OG 2.84Å; S272-S275 VanDerWaalsContact O-OG 3.05Å; L273-S275 VanDerWaalsContact C-N 3.28Å; L273-S275 PolarHBondContact O-N 3.44Å |
| 276 | A | 68.4 | Low | 67.8 | Low | 51 Ų | 51 | 82.7 Ų | 82.7 | 42% | 0.421 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -83.2 | -29 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | S272 L273 A279 A280 | S272-A276 WeakPolarHBondContact O-CB 3.29Å; S272-A276 PolarHBondContact O-N 3.26Å; L273-A276 PolarHBondContact O-N 2.9Å; A276-A279 WeakPolarHBondContact O-CB 3.41Å; A276-A279 PolarHBondContact O-N 3.06Å; A276-A279 VanDerWaalsContact O-N 3.14Å; A276-A280 PolarHBondContact O-N 3.26Å |
| 277 | L | 78.1 | Confident | 70.2 | Confident | 68 Ų | 68 | 77.5 Ų | 77.5 | 36% | 0.356 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -60.8 | -46.2 | -176.9 | 179.8 | 72.6 | 0 | 0 | 0 | 112.6 | L273 A279 A280 I281 L498 | L273-L277 WeakPolarHBondContact O-CB 3.37Å; L273-L277 PolarHBondContact O-N 3.46Å; L277-A279 VanDerWaalsContact C-N 3.27Å; L277-A279 PolarHBondContact O-N 3.29Å; L277-A280 PolarHBondContact O-N 2.88Å; L277-I281 HydrophobicContact CD1-CD1 4.07Å; L277-I281 HydrophobicContact CD1-CG1 4.3Å; L277-I281 HydrophobicContact CD2-CD1 4.42Å; L277-I281 HydrophobicContact CG-CD1 3.83Å; L277-I281 HydrophobicContact CG-CG1 4.42Å; L277-I281 VanDerWaalsContact O-CG1 3.31Å; L277-I281 WeakPolarHBondContact O-CG1 3.46Å; L277-I281 PolarHBondContact O-N 3.47Å; L277-L498 HydrophobicContact CD1-CD1 3.67Å; L277-L498 HydrophobicContact CD1-CD2 4.09Å |
| 278 | P | 82.3 | Confident | 72.5 | Confident | 74 Ų | 74 | 77.1 Ų | 77.1 | 48% | 0.481 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -59.1 | -39.1 | 174.4 | -24.5 | 34.9 | 0 | 0 | 0 | 112.5 | C274 C282 | C274-P278 WeakPolarHBondContact O-CD 3.13Å; P278-C282 VanDerWaalsContact O-CB 3.32Å; P278-C282 WeakPolarHBondContact O-CB 3.34Å; P278-C282 PolarHBondContact O-N 3.27Å; P278-C282 PolarHBondContact O-SG 3.03Å; P278-C282 VanDerWaalsContact O-SG 3.36Å |
| 279 | A | 83.1 | Confident | 74.9 | Confident | 64 Ų | 64 | 69.9 Ų | 69.9 | 53% | 0.529 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -66.4 | -43.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | A276 L277 C282 S283 | A276-A279 WeakPolarHBondContact O-CB 3.41Å; A276-A279 PolarHBondContact O-N 3.06Å; A276-A279 VanDerWaalsContact O-N 3.14Å; L277-A279 VanDerWaalsContact C-N 3.27Å; L277-A279 PolarHBondContact O-N 3.29Å; A279-C282 PolarHBondContact O-N 3.25Å; A279-S283 WeakPolarHBondContact O-CB 3.37Å; A279-S283 PolarHBondContact O-N 2.9Å |
| 280 | A | 81.2 | Confident | 77.2 | Confident | 19 Ų | 19 | 66 Ų | 66 | 16% | 0.157 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -63.1 | -46.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | A276 L277 C282 S283 M284 L498 | A276-A280 PolarHBondContact O-N 3.26Å; L277-A280 PolarHBondContact O-N 2.88Å; A280-C282 VanDerWaalsContact C-N 3.34Å; A280-C282 PolarHBondContact O-N 2.89Å; A280-S283 WeakPolarHBondContact O-CB 3.46Å; A280-S283 PolarHBondContact O-N 2.71Å; A280-S283 VanDerWaalsContact O-N 3.16Å; A280-M284 WeakPolarHBondContact O-CG 3.48Å; A280-M284 PolarHBondContact O-N 3.19Å; A280-L498 HydrophobicContact CB-CD2 3.75Å |
| 281 | I | 86.9 | Confident | 79.5 | Confident | 46 Ų | 46 | 63.9 Ų | 63.9 | 24% | 0.236 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -59.3 | -45.5 | 175.6 | -68.2 | 170 | 0 | 0 | 0 | 110.7 | L277 S283 M284 L285 L502 | L277-I281 HydrophobicContact CD1-CD1 4.07Å; L277-I281 HydrophobicContact CD1-CG1 4.3Å; L277-I281 HydrophobicContact CD2-CD1 4.42Å; L277-I281 HydrophobicContact CG-CD1 3.83Å; L277-I281 HydrophobicContact CG-CG1 4.42Å; L277-I281 VanDerWaalsContact O-CG1 3.31Å; L277-I281 WeakPolarHBondContact O-CG1 3.46Å; L277-I281 PolarHBondContact O-N 3.47Å; I281-S283 VanDerWaalsContact C-N 3.34Å; I281-S283 PolarHBondContact O-N 3.11Å; I281-M284 PolarHBondContact O-N 3.46Å; I281-L285 HydrophobicContact CG2-CD1 3.87Å; I281-L285 HydrophobicContact CG2-CG 4.38Å; I281-L285 WeakPolarHBondContact O-CB 3.38Å; I281-L285 VanDerWaalsContact O-CG 3.29Å; I281-L285 WeakPolarHBondContact O-CG 3.46Å; I281-L285 PolarHBondContact O-N 2.92Å; I281-L502 HydrophobicContact CG2-CD1 4.31Å; I281-L502 HydrophobicContact CG2-CD2 4.07Å |
| 282 | C | 88.3 | Confident | 81.9 | Confident | 85 Ų | 85 | 59.4 Ų | 59.4 | 57% | 0.574 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -63.7 | -38.5 | 176.5 | -78.2 | 0 | 0 | 0 | 0 | 112.6 | P278 A279 A280 L285 R286 | P278-C282 VanDerWaalsContact O-CB 3.32Å; P278-C282 WeakPolarHBondContact O-CB 3.34Å; P278-C282 PolarHBondContact O-N 3.27Å; P278-C282 PolarHBondContact O-SG 3.03Å; P278-C282 VanDerWaalsContact O-SG 3.36Å; A279-C282 PolarHBondContact O-N 3.25Å; A280-C282 VanDerWaalsContact C-N 3.34Å; A280-C282 PolarHBondContact O-N 2.89Å; C282-L285 PolarHBondContact O-N 3.23Å; C282-R286 WeakPolarHBondContact O-CB 3.01Å; C282-R286 PolarHBondContact O-N 2.98Å |
| 283 | S | 87.2 | Confident | 83.9 | Confident | 72 Ų | 72 | 57.4 Ų | 57.4 | 50% | 0.503 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.4 | -48.8 | 175.3 | -171.9 | 0 | 0 | 0 | 0 | 111.2 | A279 A280 I281 L285 R286 N287 | A279-S283 WeakPolarHBondContact O-CB 3.37Å; A279-S283 PolarHBondContact O-N 2.9Å; A280-S283 WeakPolarHBondContact O-CB 3.46Å; A280-S283 PolarHBondContact O-N 2.71Å; A280-S283 VanDerWaalsContact O-N 3.16Å; I281-S283 VanDerWaalsContact C-N 3.34Å; I281-S283 PolarHBondContact O-N 3.11Å; S283-L285 PolarHBondContact O-N 3.49Å; S283-R286 WeakPolarHBondContact O-CB 3.45Å; S283-R286 PolarHBondContact O-N 3.22Å; S283-R286 VanDerWaalsContact O-N 3.14Å; S283-N287 PolarHBondContact O-N 3.22Å; S283-N287 VanDerWaalsContact O-N 3.15Å |
| 284 | M | 87.3 | Confident | 85.9 | Confident | 3 Ų | 3 | 53.4 Ų | 53.4 | 2% | 0.015 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -59.3 | -47.4 | 176 | -69.9 | 177.7 | 173 | 0 | 0 | 112.1 | A280 I281 R286 N287 Y290 E495 L498 A499 L502 | A280-M284 WeakPolarHBondContact O-CG 3.48Å; A280-M284 PolarHBondContact O-N 3.19Å; I281-M284 PolarHBondContact O-N 3.46Å; M284-R286 PolarHBondContact O-N 3.1Å; M284-N287 VanDerWaalsContact O-CB 3.31Å; M284-N287 WeakPolarHBondContact O-CB 3.39Å; M284-N287 PolarHBondContact O-N 3.22Å; M284-Y290 HydrophobicContact CB-CD1 4.08Å; M284-Y290 HydrophobicContact CB-CE1 3.96Å; M284-Y290 VanDerWaalsContact O-CD1 3.24Å; M284-Y290 WeakPolarHBondContact O-CD1 3.28Å; M284-E495 HydrophobicContact CE-CB 3.53Å; M284-E495 HydrophobicContact CE-CG 4.09Å; M284-E495 WeakPolarHBondContact CE-O 3.35Å; M284-E495 WeakPolarHBondContact CE-OE2 3.23Å; M284-L498 HydrophobicContact CE-CB 3.88Å; M284-L498 HydrophobicContact CE-CD2 3.66Å; M284-L498 HydrophobicContact CE-CG 3.7Å; M284-L498 HydrophobicContact SD-CD2 4.07Å; M284-L498 HydrophobicContact SD-CG 3.92Å; M284-A499 HydrophobicContact CE-CB 3.95Å; M284-A499 HydrophobicContact SD-CB 4.2Å; M284-L502 HydrophobicContact CB-CD2 4.29Å; M284-L502 HydrophobicContact SD-CD2 4.07Å |
| 285 | L | 91.3 | Very high | 87.7 | Confident | 84 Ų | 84 | 53.4 Ų | 53.4 | 44% | 0.44 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66.7 | -22.7 | 179.7 | -69.4 | 175.6 | 0 | 0 | 0 | 112.9 | I281 C282 S283 S291 L502 L506 | I281-L285 HydrophobicContact CG2-CD1 3.87Å; I281-L285 HydrophobicContact CG2-CG 4.38Å; I281-L285 WeakPolarHBondContact O-CB 3.38Å; I281-L285 VanDerWaalsContact O-CG 3.29Å; I281-L285 WeakPolarHBondContact O-CG 3.46Å; I281-L285 PolarHBondContact O-N 2.92Å; C282-L285 PolarHBondContact O-N 3.23Å; S283-L285 PolarHBondContact O-N 3.49Å; L285-S291 VanDerWaalsContact CA-OG 3.24Å; L285-S291 WeakPolarHBondContact CA-OG 3.33Å; L285-S291 PolarHBondContact O-OG 3.03Å; L285-L502 HydrophobicContact CD2-CD2 4.43Å; L285-L502 HydrophobicContact CG-CD2 4.44Å; L285-L506 HydrophobicContact CD2-CD1 4.22Å |
| 286 | R | 91.9 | Very high | 89.3 | Confident | 215 Ų | 215 | 49.2 Ų | 49.2 | 81% | 0.811 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -78.5 | -25 | 173 | -170.8 | 176.3 | -179.4 | -175.6 | -0.6 | 112.5 | C282 S283 M284 Q288 | C282-R286 WeakPolarHBondContact O-CB 3.01Å; C282-R286 PolarHBondContact O-N 2.98Å; S283-R286 WeakPolarHBondContact O-CB 3.45Å; S283-R286 PolarHBondContact O-N 3.22Å; S283-R286 VanDerWaalsContact O-N 3.14Å; M284-R286 PolarHBondContact O-N 3.1Å; R286-Q288 PolarHBondContact O-N 3.41Å; R286-Q288 VanDerWaalsContact O-N 3.12Å |
| 287 | N | 92.4 | Very high | 90.5 | Very high | 32 Ų | 32 | 48.4 Ų | 48.4 | 17% | 0.171 | 27% | 0.266 | C | S | . | . | trans | -66.4 | 110 | 173.9 | -179.4 | -13.3 | 0 | 0 | 0 | 110 | S283 M284 V289 Y290 S291 C490 F577 | S283-N287 PolarHBondContact O-N 3.22Å; S283-N287 VanDerWaalsContact O-N 3.15Å; M284-N287 VanDerWaalsContact O-CB 3.31Å; M284-N287 WeakPolarHBondContact O-CB 3.39Å; M284-N287 PolarHBondContact O-N 3.22Å; N287-V289 VanDerWaalsContact C-N 3.29Å; N287-V289 PolarHBondContact O-N 3.27Å; N287-V289 PolarHBondContact OD1-N 3.16Å; N287-Y290 PolarHBondContact O-N 2.86Å; N287-Y290 PolarHBondContact OD1-N 3.27Å; N287-S291 WeakPolarHBondContact O-CB 3.33Å; N287-S291 PolarHBondContact O-N 3.37Å; N287-S291 PolarHBondContact O-OG 2.87Å; N287-C490 PolarHBondContact ND2-O 2.62Å; N287-F577 WeakPolarHBondContact OD1-CE2 3.12Å | ||
| 288 | Q | 94 | Very high | 91.4 | Very high | 102 Ų | 102 | 45.7 Ų | 45.7 | 48% | 0.477 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.7 | -32.6 | -173.9 | -64.6 | -179.9 | 2.2 | 0 | 0 | 112.8 | R286 S292 K573 | R286-Q288 PolarHBondContact O-N 3.41Å; R286-Q288 VanDerWaalsContact O-N 3.12Å; Q288-S292 VanDerWaalsContact O-CB 3.25Å; Q288-S292 WeakPolarHBondContact O-CB 3.26Å; Q288-S292 PolarHBondContact O-N 3.34Å; Q288-S292 VanDerWaalsContact O-N 3.15Å; Q288-S292 PolarHBondContact O-OG 3.48Å; Q288-K573 HydrophobicContact CB-CG 4.45Å; Q288-K573 VanDerWaalsContact OE1-CD 3.29Å |
| 289 | V | 94.5 | Very high | 92 | Very high | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.006 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -71.5 | -47.7 | 178.4 | 177.6 | 0 | 0 | 0 | 0 | 109.9 | N287 S292 M293 V486 C490 T570 K573 Q574 F577 | N287-V289 VanDerWaalsContact C-N 3.29Å; N287-V289 PolarHBondContact O-N 3.27Å; N287-V289 PolarHBondContact OD1-N 3.16Å; V289-S292 PolarHBondContact O-OG 3.27Å; V289-M293 VanDerWaalsContact O-CB 3.29Å; V289-M293 WeakPolarHBondContact O-CB 3.06Å; V289-M293 PolarHBondContact O-N 3.28Å; V289-V486 HydrophobicContact CG1-CG1 3.95Å; V289-C490 HydrophobicContact CB-CB 4.23Å; V289-C490 HydrophobicContact CG1-CB 3.84Å; V289-T570 HydrophobicContact CG1-CG2 3.97Å; V289-K573 HydrophobicContact CG2-CB 3.99Å; V289-Q574 HydrophobicContact CG1-CG 4.12Å; V289-Q574 HydrophobicContact CG2-CG 4.47Å; V289-F577 HydrophobicContact CB-CD2 4.26Å; V289-F577 HydrophobicContact CB-CE2 4.4Å; V289-F577 HydrophobicContact CG2-CB 4.02Å; V289-F577 HydrophobicContact CG2-CD1 4.48Å; V289-F577 HydrophobicContact CG2-CD2 3.56Å; V289-F577 HydrophobicContact CG2-CE2 4.17Å; V289-F577 HydrophobicContact CG2-CG 3.75Å |
| 290 | Y | 94.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.4 | -55.8 | 176.7 | 174.9 | -96.2 | 0 | 0 | 0 | 111.5 | M284 N287 S292 M293 V294 V487 V491 A499 L502 A503 | M284-Y290 HydrophobicContact CB-CD1 4.08Å; M284-Y290 HydrophobicContact CB-CE1 3.96Å; M284-Y290 VanDerWaalsContact O-CD1 3.24Å; M284-Y290 WeakPolarHBondContact O-CD1 3.28Å; N287-Y290 PolarHBondContact O-N 2.86Å; N287-Y290 PolarHBondContact OD1-N 3.27Å; Y290-S292 PolarHBondContact O-N 3.41Å; Y290-M293 PolarHBondContact O-N 3.38Å; Y290-M293 VanDerWaalsContact O-N 3.14Å; Y290-V294 HydrophobicContact CD1-CG2 4.33Å; Y290-V294 HydrophobicContact CD2-CG2 4.21Å; Y290-V294 HydrophobicContact CE1-CG2 3.94Å; Y290-V294 HydrophobicContact CE2-CG2 3.79Å; Y290-V294 HydrophobicContact CG-CG2 4.46Å; Y290-V294 WeakPolarHBondContact O-CG2 3.19Å; Y290-V294 PolarHBondContact O-N 3.3Å; Y290-V487 HydrophobicContact CD2-CG1 4.13Å; Y290-V487 HydrophobicContact CE2-CG1 3.83Å; Y290-V491 HydrophobicContact CD2-CG1 4.06Å; Y290-A499 HydrophobicContact CD2-CB 4.43Å; Y290-A499 HydrophobicContact CE2-CB 3.76Å; Y290-A499 PolarHBondContact OH-O 3.21Å; Y290-L502 HydrophobicContact CE1-CD2 4.09Å; Y290-L502 WeakPolarHBondContact OH-CB 3.33Å; Y290-L502 WeakPolarHBondContact OH-CD2 3.36Å; Y290-L502 WeakPolarHBondContact OH-CG 3.37Å; Y290-A503 PolarHBondContact OH-N 2.85Å |
| 291 | S | 95.4 | Very high | 93 | Very high | 32 Ų | 32 | 41.1 Ų | 41.1 | 22% | 0.224 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.3 | -39.8 | -174.6 | -64.2 | 0 | 0 | 0 | 0 | 113.1 | L285 N287 L295 | L285-S291 VanDerWaalsContact CA-OG 3.24Å; L285-S291 WeakPolarHBondContact CA-OG 3.33Å; L285-S291 PolarHBondContact O-OG 3.03Å; N287-S291 WeakPolarHBondContact O-CB 3.33Å; N287-S291 PolarHBondContact O-N 3.37Å; N287-S291 PolarHBondContact O-OG 2.87Å; S291-L295 WeakPolarHBondContact O-CB 3.48Å; S291-L295 PolarHBondContact O-N 3.27Å |
| 292 | S | 96.2 | Very high | 93.4 | Very high | 8 Ų | 8 | 39.8 Ų | 39.8 | 6% | 0.056 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.5 | -42.4 | 174.6 | 59 | 0 | 0 | 0 | 0 | 111.4 | Q288 V289 Y290 V294 L295 G296 V566 T570 | Q288-S292 VanDerWaalsContact O-CB 3.25Å; Q288-S292 WeakPolarHBondContact O-CB 3.26Å; Q288-S292 PolarHBondContact O-N 3.34Å; Q288-S292 VanDerWaalsContact O-N 3.15Å; Q288-S292 PolarHBondContact O-OG 3.48Å; V289-S292 PolarHBondContact O-OG 3.27Å; Y290-S292 PolarHBondContact O-N 3.41Å; S292-V294 PolarHBondContact O-N 3.44Å; S292-L295 PolarHBondContact O-N 3Å; S292-G296 PolarHBondContact O-N 3.32Å; S292-V566 WeakPolarHBondContact O-CG1 3.34Å; S292-T570 VanDerWaalsContact CB-OG1 3.22Å; S292-T570 WeakPolarHBondContact CB-OG1 3.3Å; S292-T570 WeakPolarHBondContact OG-CB 3.32Å; S292-T570 PolarHBondContact OG-OG1 2.89Å |
| 293 | M | 95.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.3 | -42.4 | 178.4 | -161 | 67.6 | -155 | 0 | 0 | 112.3 | V289 Y290 G296 W297 L363 T483 V486 V487 V567 T570 | V289-M293 VanDerWaalsContact O-CB 3.29Å; V289-M293 WeakPolarHBondContact O-CB 3.06Å; V289-M293 PolarHBondContact O-N 3.28Å; Y290-M293 PolarHBondContact O-N 3.38Å; Y290-M293 VanDerWaalsContact O-N 3.14Å; M293-G296 PolarHBondContact O-N 3.35Å; M293-W297 PolarHBondContact O-N 3.24Å; M293-L363 HydrophobicContact CE-CD2 3.5Å; M293-L363 VanDerWaalsContact CE-CD2 3.5Å; M293-T483 HydrophobicContact CE-CG2 3.42Å; M293-T483 VanDerWaalsContact CE-CG2 3.42Å; M293-V486 HydrophobicContact CB-CG1 4.17Å; M293-V486 HydrophobicContact CG-CB 4.05Å; M293-V486 HydrophobicContact CG-CG1 3.81Å; M293-V486 HydrophobicContact SD-CB 4.2Å; M293-V486 HydrophobicContact SD-CG1 3.99Å; M293-V487 HydrophobicContact CB-CG2 4.2Å; M293-V487 HydrophobicContact CG-CG2 3.97Å; M293-V567 HydrophobicContact CE-CG2 4.36Å; M293-T570 HydrophobicContact CB-CG2 4.33Å; M293-T570 HydrophobicContact SD-CG2 4.02Å |
| 294 | V | 95.6 | Very high | 93.4 | Very high | 4 Ų | 4 | 36.8 Ų | 36.8 | 2% | 0.024 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.8 | -42.4 | 174.9 | 172.9 | 0 | 0 | 0 | 0 | 110.9 | Y290 S292 G296 W297 I298 V487 A503 L506 | Y290-V294 HydrophobicContact CD1-CG2 4.33Å; Y290-V294 HydrophobicContact CD2-CG2 4.21Å; Y290-V294 HydrophobicContact CE1-CG2 3.94Å; Y290-V294 HydrophobicContact CE2-CG2 3.79Å; Y290-V294 HydrophobicContact CG-CG2 4.46Å; Y290-V294 WeakPolarHBondContact O-CG2 3.19Å; Y290-V294 PolarHBondContact O-N 3.3Å; S292-V294 PolarHBondContact O-N 3.44Å; V294-G296 VanDerWaalsContact C-N 3.33Å; V294-G296 PolarHBondContact O-N 2.97Å; V294-W297 WeakPolarHBondContact O-CB 3.35Å; V294-W297 PolarHBondContact O-N 3.31Å; V294-W297 VanDerWaalsContact O-N 3.14Å; V294-I298 HydrophobicContact CG1-CD1 4.22Å; V294-I298 WeakPolarHBondContact O-CG1 3.26Å; V294-I298 PolarHBondContact O-N 3.09Å; V294-V487 HydrophobicContact CG2-CG2 4.3Å; V294-A503 HydrophobicContact CG1-CB 4.29Å; V294-A503 HydrophobicContact CG2-CB 3.64Å; V294-L506 HydrophobicContact CG1-CB 4.26Å; V294-L506 HydrophobicContact CG1-CD1 3.99Å |
| 295 | L | 96.4 | Very high | 93.3 | Very high | 74 Ų | 74 | 37 Ų | 37 | 39% | 0.387 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -62.7 | -39.3 | 175.3 | -176.9 | 65.3 | 0 | 0 | 0 | 112.4 | S291 S292 W297 I298 F299 V566 | S291-L295 WeakPolarHBondContact O-CB 3.48Å; S291-L295 PolarHBondContact O-N 3.27Å; S292-L295 PolarHBondContact O-N 3Å; L295-W297 VanDerWaalsContact C-N 3.32Å; L295-W297 PolarHBondContact O-N 3.48Å; L295-I298 HydrophobicContact CD1-CD1 4.49Å; L295-I298 PolarHBondContact O-N 2.89Å; L295-F299 HydrophobicContact CD1-CD2 4.36Å; L295-F299 HydrophobicContact CD1-CE2 3.8Å; L295-F299 HydrophobicContact CD1-CZ 4.37Å; L295-F299 HydrophobicContact CD2-CE2 4.35Å; L295-F299 HydrophobicContact CG-CD2 4.21Å; L295-F299 HydrophobicContact CG-CE2 3.82Å; L295-F299 VanDerWaalsContact O-CD2 3.28Å; L295-F299 WeakPolarHBondContact O-CD2 3.5Å; L295-F299 PolarHBondContact O-N 3.21Å; L295-F299 VanDerWaalsContact O-N 3.13Å; L295-V566 HydrophobicContact CB-CG1 3.99Å; L295-V566 HydrophobicContact CD2-CG1 4.16Å; L295-V566 HydrophobicContact CD2-CG2 3.87Å; L295-V566 HydrophobicContact CG-CG1 4.15Å; L295-V566 HydrophobicContact CG-CG2 4.16Å |
| 296 | G | 95.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62 | -40 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112 | S292 M293 V294 F299 G300 W367 | S292-G296 PolarHBondContact O-N 3.32Å; M293-G296 PolarHBondContact O-N 3.35Å; V294-G296 VanDerWaalsContact C-N 3.33Å; V294-G296 PolarHBondContact O-N 2.97Å; G296-F299 PolarHBondContact O-N 3.25Å; G296-G300 PolarHBondContact O-N 2.79Å; G296-W367 WeakPolarHBondContact O-CH2 3.32Å |
| 297 | W | 93.7 | Very high | 93.4 | Very high | 34 Ų | 34 | 22.9 Ų | 22.9 | 13% | 0.129 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -66.7 | -38.3 | 175.9 | -168.4 | 4.2 | 0 | 0 | 0 | 112.4 | M293 V294 L295 G300 S301 F480 M484 L500 A503 | M293-W297 PolarHBondContact O-N 3.24Å; V294-W297 WeakPolarHBondContact O-CB 3.35Å; V294-W297 PolarHBondContact O-N 3.31Å; V294-W297 VanDerWaalsContact O-N 3.14Å; L295-W297 VanDerWaalsContact C-N 3.32Å; L295-W297 PolarHBondContact O-N 3.48Å; W297-G300 CarbonylContact O-C 3.53Å; W297-G300 PolarHBondContact O-N 3.21Å; W297-S301 PolarHBondContact O-N 3.49Å; W297-F480 AromaticContact NE1-CZ 4Å; W297-M484 HydrophobicContact CD2-CE 3.55Å; W297-M484 HydrophobicContact CE3-CE 3.41Å; W297-M484 VanDerWaalsContact CE3-CE 3.41Å; W297-M484 HydrophobicContact CE3-SD 4.47Å; W297-M484 HydrophobicContact CH2-CE 3.01Å; W297-M484 HydrophobicContact CH2-SD 3.26Å; W297-M484 WeakPolarHBondContact CH2-SD 3.06Å; W297-M484 HydrophobicContact CZ2-CE 3.14Å; W297-M484 HydrophobicContact CZ2-SD 3.82Å; W297-M484 HydrophobicContact CZ3-CE 3.14Å; W297-M484 HydrophobicContact CZ3-SD 3.63Å; W297-L500 HydrophobicContact CH2-CD1 4.1Å; W297-L500 HydrophobicContact CZ3-CD1 4.28Å; W297-A503 HydrophobicContact CE3-CB 3.98Å; W297-A503 HydrophobicContact CZ3-CB 3.61Å |
| 298 | I | 96.2 | Very high | 93.4 | Very high | 11 Ų | 11 | 21.9 Ų | 21.9 | 6% | 0.056 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -58.3 | -50.3 | 172.6 | -67.7 | 164.8 | 0 | 0 | 0 | 110.8 | V294 L295 G300 S301 Y302 L506 L510 | V294-I298 HydrophobicContact CG1-CD1 4.22Å; V294-I298 WeakPolarHBondContact O-CG1 3.26Å; V294-I298 PolarHBondContact O-N 3.09Å; L295-I298 HydrophobicContact CD1-CD1 4.49Å; L295-I298 PolarHBondContact O-N 2.89Å; I298-G300 VanDerWaalsContact C-N 3.31Å; I298-G300 PolarHBondContact O-N 2.87Å; I298-S301 PolarHBondContact O-N 3.46Å; I298-S301 PolarHBondContact O-OG 2.87Å; I298-Y302 WeakPolarHBondContact O-CD2 3.5Å; I298-L506 HydrophobicContact CD1-CB 4.21Å; I298-L510 HydrophobicContact CD1-CB 4.2Å; I298-L510 HydrophobicContact CD1-CD1 4.01Å; I298-L510 HydrophobicContact CG2-CB 3.82Å |
| 299 | F | 96 | Very high | 93.3 | Very high | 52 Ų | 52 | 17.7 Ų | 17.7 | 23% | 0.228 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -65.4 | -36.9 | 176.6 | -70.9 | -58.3 | 0 | 0 | 0 | 112.1 | L295 G296 S301 Y302 F559 A562 A563 V566 | L295-F299 HydrophobicContact CD1-CD2 4.36Å; L295-F299 HydrophobicContact CD1-CE2 3.8Å; L295-F299 HydrophobicContact CD1-CZ 4.37Å; L295-F299 HydrophobicContact CD2-CE2 4.35Å; L295-F299 HydrophobicContact CG-CD2 4.21Å; L295-F299 HydrophobicContact CG-CE2 3.82Å; L295-F299 VanDerWaalsContact O-CD2 3.28Å; L295-F299 WeakPolarHBondContact O-CD2 3.5Å; L295-F299 PolarHBondContact O-N 3.21Å; L295-F299 VanDerWaalsContact O-N 3.13Å; G296-F299 PolarHBondContact O-N 3.25Å; F299-S301 VanDerWaalsContact C-N 3.26Å; F299-S301 PolarHBondContact O-N 3.22Å; F299-Y302 WeakPolarHBondContact O-CB 3.35Å; F299-Y302 PolarHBondContact O-N 3.35Å; F299-F559 HydrophobicContact CD1-CD1 4.05Å; F299-F559 HydrophobicContact CE1-CD1 4.4Å; F299-A562 HydrophobicContact CD1-CB 4.16Å; F299-A562 HydrophobicContact CD2-CB 4.11Å; F299-A562 HydrophobicContact CE1-CB 4.2Å; F299-A562 HydrophobicContact CE2-CB 4.14Å; F299-A562 HydrophobicContact CG-CB 4.12Å; F299-A562 HydrophobicContact CZ-CB 4.19Å; F299-A563 HydrophobicContact CB-CB 3.58Å; F299-V566 HydrophobicContact CD2-CG2 4.31Å; F299-V566 HydrophobicContact CE2-CG2 4.19Å |
| 300 | G | 92.8 | Very high | 93.3 | Very high | 7 Ų | 7 | 17.6 Ų | 17.6 | 7% | 0.072 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -62.6 | -28.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | G296 W297 I298 Y302 L303 | G296-G300 PolarHBondContact O-N 2.79Å; W297-G300 CarbonylContact O-C 3.53Å; W297-G300 PolarHBondContact O-N 3.21Å; I298-G300 VanDerWaalsContact C-N 3.31Å; I298-G300 PolarHBondContact O-N 2.87Å; G300-Y302 VanDerWaalsContact C-N 3.27Å; G300-Y302 PolarHBondContact O-N 3.41Å; G300-L303 WeakPolarHBondContact O-CB 3.31Å; G300-L303 PolarHBondContact O-N 3.33Å |
| 301 | S | 91.8 | Very high | 93.3 | Very high | 1 Ų | 1 | 17.6 Ų | 17.6 | 1% | 0.007 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -72.8 | -17.8 | 177.8 | 69.7 | 0 | 0 | 0 | 0 | 113.2 | W297 I298 F299 L303 I304 G305 G511 | W297-S301 PolarHBondContact O-N 3.49Å; I298-S301 PolarHBondContact O-N 3.46Å; I298-S301 PolarHBondContact O-OG 2.87Å; F299-S301 VanDerWaalsContact C-N 3.26Å; F299-S301 PolarHBondContact O-N 3.22Å; S301-L303 PolarHBondContact O-N 3.09Å; S301-I304 PolarHBondContact O-N 3.35Å; S301-I304 VanDerWaalsContact O-N 3.09Å; S301-G305 PolarHBondContact O-N 3.47Å; S301-G511 VanDerWaalsContact OG-CA 3.26Å; S301-G511 WeakPolarHBondContact OG-CA 3.06Å |
| 302 | Y | 94 | Very high | 93.2 | Very high | 19 Ų | 19 | 16.2 Ų | 16.2 | 8% | 0.075 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -63.1 | -31.3 | 175 | -84.7 | -106.5 | 0 | 0 | 0 | 112.6 | I298 F299 G300 G306 Y307 L510 P514 S515 I518 F519 F559 | I298-Y302 WeakPolarHBondContact O-CD2 3.5Å; F299-Y302 WeakPolarHBondContact O-CB 3.35Å; F299-Y302 PolarHBondContact O-N 3.35Å; G300-Y302 VanDerWaalsContact C-N 3.27Å; G300-Y302 PolarHBondContact O-N 3.41Å; Y302-G306 WeakPolarHBondContact O-CA 3.18Å; Y302-G306 PolarHBondContact O-N 3.18Å; Y302-Y307 PolarHBondContact O-N 3.45Å; Y302-Y307 VanDerWaalsContact O-N 3.08Å; Y302-L510 WeakPolarHBondContact CE2-O 3.29Å; Y302-L510 PolarHBondContact OH-O 3.21Å; Y302-P514 WeakPolarHBondContact OH-CG 3.34Å; Y302-S515 WeakPolarHBondContact CA-OG 3.22Å; Y302-S515 VanDerWaalsContact CD1-OG 3.32Å; Y302-S515 WeakPolarHBondContact CD1-OG 3.47Å; Y302-S515 PolarHBondContact O-OG 3.36Å; Y302-I518 HydrophobicContact CE1-CD1 3.81Å; Y302-F519 HydrophobicContact CD1-CE2 4.2Å; Y302-F559 HydrophobicContact CD1-CD1 4.06Å; Y302-F559 AromaticContact CD1-CD2 3.87Å; Y302-F559 HydrophobicContact CD1-CD2 3.87Å; Y302-F559 AromaticContact CD1-CE1 3.94Å; Y302-F559 HydrophobicContact CD1-CE1 3.94Å; Y302-F559 AromaticContact CD1-CE2 3.74Å; Y302-F559 HydrophobicContact CD1-CE2 3.74Å; Y302-F559 HydrophobicContact CD1-CG 4.04Å; Y302-F559 AromaticContact CD1-CZ 3.78Å; Y302-F559 HydrophobicContact CD1-CZ 3.78Å; Y302-F559 HydrophobicContact CD2-CD1 4.48Å; Y302-F559 HydrophobicContact CE1-CD1 4.27Å; Y302-F559 AromaticContact CE1-CE1 3.74Å; Y302-F559 HydrophobicContact CE1-CE1 3.74Å; Y302-F559 HydrophobicContact CE1-CE2 4.03Å; Y302-F559 AromaticContact CE1-CZ 3.61Å; Y302-F559 HydrophobicContact CE1-CZ 3.61Å; Y302-F559 HydrophobicContact CG-CD1 4.17Å; Y302-F559 HydrophobicContact CG-CD2 4.31Å; Y302-F559 HydrophobicContact CG-CE1 4.45Å; Y302-F559 HydrophobicContact CG-CG 4.11Å |
| 303 | L | 90 | Very high | 93 | Very high | 17 Ų | 17 | 16.2 Ų | 16.2 | 9% | 0.089 | 9% | 0.085 | C | C | . | . | I | π-helix | trans | -59.5 | -49.5 | 170.4 | 155.2 | 50.4 | 0 | 0 | 0 | 110.7 | G300 S301 Y307 G308 I370 Y374 L473 | G300-L303 WeakPolarHBondContact O-CB 3.31Å; G300-L303 PolarHBondContact O-N 3.33Å; S301-L303 PolarHBondContact O-N 3.09Å; L303-Y307 HydrophobicContact CD1-CD1 4.11Å; L303-Y307 WeakPolarHBondContact O-CB 3.37Å; L303-G308 PolarHBondContact O-N 2.88Å; L303-I370 HydrophobicContact CD2-CD1 4.36Å; L303-I370 HydrophobicContact CD2-CG2 4.48Å; L303-Y374 WeakPolarHBondContact CD1-OH 3.42Å; L303-Y374 WeakPolarHBondContact CD2-OH 3.38Å; L303-L473 HydrophobicContact CD2-CD2 4.5Å |
| 304 | I | 86.5 | Confident | 92.9 | Very high | 77 Ų | 77 | 16.2 Ų | 16.2 | 40% | 0.395 | 9% | 0.085 | S | C | . | . | I | π-helix | trans | -75.4 | -51.7 | -174.4 | -56.7 | 174 | 0 | 0 | 0 | 110.4 | S301 F512 | S301-I304 PolarHBondContact O-N 3.35Å; S301-I304 VanDerWaalsContact O-N 3.09Å; I304-F512 HydrophobicContact CB-CE1 4.19Å; I304-F512 HydrophobicContact CG2-CE1 4.09Å |
| 305 | G | 86 | Confident | 92.7 | Very high | 7 Ų | 7 | 16 Ų | 16 | 7% | 0.072 | 8% | 0.084 | C | C | . | . | I | π-helix | trans | -78.4 | -34.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | S301 T309 P516 | S301-G305 PolarHBondContact O-N 3.47Å; G305-T309 VanDerWaalsContact O-CB 3.31Å; G305-T309 WeakPolarHBondContact O-CB 3.39Å; G305-T309 PolarHBondContact O-OG1 2.82Å; G305-P516 WeakPolarHBondContact O-CG 3.26Å |
| 306 | G | 90.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 7% | 0.069 | C | C | . | . | I | π-helix | trans | -98.2 | -64.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y302 T309 Y310 S515 | Y302-G306 WeakPolarHBondContact O-CA 3.18Å; Y302-G306 PolarHBondContact O-N 3.18Å; G306-T309 PolarHBondContact O-N 2.94Å; G306-Y310 WeakPolarHBondContact O-CD2 3.43Å; G306-Y310 PolarHBondContact O-N 3.35Å; G306-S515 WeakPolarHBondContact CA-OG 3.4Å; G306-S515 PolarHBondContact N-OG 3.37Å |
| 307 | Y | 93.9 | Very high | 91.9 | Very high | 2 Ų | 2 | 14.9 Ų | 14.9 | 1% | 0.008 | 8% | 0.08 | C | C | . | . | I | π-helix | trans | -60.4 | -51.4 | -179.4 | -175.4 | -85.9 | 0 | 0 | 0 | 110.7 | Y302 L303 T309 Y310 L311 Y374 Y465 F519 Y552 H553 N556 | Y302-Y307 PolarHBondContact O-N 3.45Å; Y302-Y307 VanDerWaalsContact O-N 3.08Å; L303-Y307 HydrophobicContact CD1-CD1 4.11Å; L303-Y307 WeakPolarHBondContact O-CB 3.37Å; Y307-T309 VanDerWaalsContact C-N 3.28Å; Y307-T309 PolarHBondContact O-N 3.32Å; Y307-Y310 PolarHBondContact O-N 2.88Å; Y307-L311 HydrophobicContact CE1-CD1 3.9Å; Y307-L311 HydrophobicContact CE1-CD2 4.31Å; Y307-L311 PolarHBondContact O-N 3.36Å; Y307-L311 VanDerWaalsContact O-N 3.08Å; Y307-Y374 HydrophobicContact CD1-CE1 4.27Å; Y307-Y374 HydrophobicContact CD2-CE1 4.29Å; Y307-Y374 AromaticContact CE1-CE1 3.89Å; Y307-Y374 HydrophobicContact CE1-CE1 3.89Å; Y307-Y374 HydrophobicContact CE2-CD1 4.04Å; Y307-Y374 AromaticContact CE2-CE1 3.9Å; Y307-Y374 HydrophobicContact CE2-CE1 3.9Å; Y307-Y374 HydrophobicContact CG-CE1 4.46Å; Y307-Y374 AromaticContact CZ-CE1 3.69Å; Y307-Y465 PolarHBondContact OH-OH 3.08Å; Y307-F519 HydrophobicContact CD2-CE1 4.43Å; Y307-Y552 HydrophobicContact CD2-CD1 4.21Å; Y307-Y552 AromaticContact CD2-CE1 3.56Å; Y307-Y552 HydrophobicContact CD2-CE1 3.56Å; Y307-Y552 HydrophobicContact CD2-CE2 4.08Å; Y307-Y552 AromaticContact CD2-CZ 3.48Å; Y307-Y552 VanDerWaalsContact CD2-CZ 3.48Å; Y307-Y552 AromaticContact CE2-CD1 3.77Å; Y307-Y552 HydrophobicContact CE2-CD1 3.77Å; Y307-Y552 AromaticContact CE2-CE1 3.2Å; Y307-Y552 HydrophobicContact CE2-CE1 3.2Å; Y307-Y552 AromaticContact CE2-CZ 3.65Å; Y307-Y552 HydrophobicContact CG-CE1 4.41Å; Y307-Y552 AromaticContact CZ-CE1 3.8Å; Y307-Y552 PolarHBondContact O-OH 3.27Å; Y307-H553 AromaticContact CE2-ND1 3.64Å; Y307-H553 AromaticContact CZ-ND1 3.98Å; Y307-H553 PolarHBondContact OH-CE1 2.59Å; Y307-H553 PolarHBondContact OH-ND1 3.02Å; Y307-N556 HydrophobicContact CD2-CB 3.84Å; Y307-N556 HydrophobicContact CG-CB 4.49Å |
| 308 | G | 91.7 | Very high | 91.7 | Very high | 11 Ų | 11 | 13.3 Ų | 13.3 | 11% | 0.113 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -54.6 | -40 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | L303 L311 | L303-G308 PolarHBondContact O-N 2.88Å; G308-L311 PolarHBondContact O-N 3.26Å |
| 309 | T | 92.3 | Very high | 91.4 | Very high | 14 Ų | 14 | 13.2 Ų | 13.2 | 9% | 0.086 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -63.3 | -42.9 | -179.6 | -66.5 | 0 | 0 | 0 | 0 | 113.4 | V34 L37 L55 G305 G306 Y307 | V34-T309 WeakPolarHBondContact CG1-O 3.21Å; V34-T309 HydrophobicContact CG2-CG2 4.47Å; L37-T309 HydrophobicContact CD2-CG2 3.99Å; L55-T309 HydrophobicContact CD1-CG2 3.23Å; G305-T309 VanDerWaalsContact O-CB 3.31Å; G305-T309 WeakPolarHBondContact O-CB 3.39Å; G305-T309 PolarHBondContact O-OG1 2.82Å; G306-T309 PolarHBondContact O-N 2.94Å; Y307-T309 VanDerWaalsContact C-N 3.28Å; Y307-T309 PolarHBondContact O-N 3.32Å |
| 310 | Y | 95 | Very high | 90.8 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -97.5 | 4.6 | -177.7 | -64.6 | -75.8 | 0 | 0 | 0 | 114 | L37 S48 S51 G52 G306 Y307 K313 F314 P516 F519 I523 | L37-Y310 HydrophobicContact CD2-CD1 4.26Å; L37-Y310 HydrophobicContact CD2-CE1 3.91Å; S48-Y310 PolarHBondContact O-OH 3.47Å; S51-Y310 PolarHBondContact OG-OH 3.1Å; G52-Y310 WeakPolarHBondContact CA-OH 3.44Å; G52-Y310 PolarHBondContact N-OH 3.42Å; G306-Y310 WeakPolarHBondContact O-CD2 3.43Å; G306-Y310 PolarHBondContact O-N 3.35Å; Y307-Y310 PolarHBondContact O-N 2.88Å; Y310-K313 HydrophobicContact CD1-CD 4.08Å; Y310-K313 WeakPolarHBondContact O-CB 3.42Å; Y310-K313 PolarHBondContact O-N 2.93Å; Y310-F314 WeakPolarHBondContact O-CB 3.36Å; Y310-F314 PolarHBondContact O-N 3.24Å; Y310-P516 HydrophobicContact CE2-CB 4.39Å; Y310-P516 VanDerWaalsContact CE2-O 3.25Å; Y310-P516 WeakPolarHBondContact CE2-O 3.44Å; Y310-P516 PolarHBondContact OH-O 3.05Å; Y310-F519 HydrophobicContact CD2-CB 3.73Å; Y310-F519 HydrophobicContact CE2-CB 3.92Å; Y310-I523 HydrophobicContact CD1-CD1 3.59Å; Y310-I523 HydrophobicContact CD2-CD1 3.81Å; Y310-I523 HydrophobicContact CE1-CD1 4.3Å; Y310-I523 HydrophobicContact CE2-CD1 4.49Å; Y310-I523 HydrophobicContact CG-CD1 3.3Å |
| 311 | L | 94.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -60.8 | -40.9 | 178.8 | -175.4 | 60.9 | 0 | 0 | 0 | 113.2 | Y307 G308 F314 I315 A330 I333 Y552 | Y307-L311 HydrophobicContact CE1-CD1 3.9Å; Y307-L311 HydrophobicContact CE1-CD2 4.31Å; Y307-L311 PolarHBondContact O-N 3.36Å; Y307-L311 VanDerWaalsContact O-N 3.08Å; G308-L311 PolarHBondContact O-N 3.26Å; L311-F314 HydrophobicContact CD1-CD1 4.43Å; L311-F314 WeakPolarHBondContact O-CB 3.39Å; L311-F314 PolarHBondContact O-N 2.89Å; L311-I315 HydrophobicContact CD1-CD1 4.2Å; L311-I315 HydrophobicContact CD1-CG1 4.33Å; L311-I315 HydrophobicContact CG-CD1 4.11Å; L311-I315 WeakPolarHBondContact O-CG1 3.3Å; L311-I315 PolarHBondContact O-N 2.63Å; L311-A330 HydrophobicContact CB-CB 4.17Å; L311-A330 HydrophobicContact CD2-CB 4.05Å; L311-A330 HydrophobicContact CG-CB 3.87Å; L311-I333 HydrophobicContact CD2-CB 4.08Å; L311-I333 HydrophobicContact CD2-CG2 3.83Å; L311-Y552 WeakPolarHBondContact CA-OH 3.49Å; L311-Y552 PolarHBondContact N-OH 3.32Å |
| 312 | P | 92.2 | Very high | 89.8 | Confident | 3 Ų | 3 | 17.4 Ų | 17.4 | 2% | 0.019 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -60.6 | -46.4 | 174 | -18.3 | 29.1 | 0 | 0 | 0 | 111.6 | V34 F200 F314 I315 E316 A326 D327 A330 | V34-P312 HydrophobicContact CG1-CG 4.45Å; F200-P312 HydrophobicContact CE1-CG 3.73Å; F200-P312 HydrophobicContact CZ-CG 4.35Å; P312-F314 VanDerWaalsContact C-N 3.31Å; P312-F314 PolarHBondContact O-N 3.39Å; P312-I315 PolarHBondContact O-N 3.48Å; P312-I315 VanDerWaalsContact O-N 3.11Å; P312-E316 WeakPolarHBondContact O-CB 3.14Å; P312-E316 PolarHBondContact O-N 3.05Å; P312-A326 WeakPolarHBondContact O-CB 3.46Å; P312-D327 VanDerWaalsContact CB-OD1 3.28Å; P312-D327 WeakPolarHBondContact CB-OD1 3.48Å; P312-A330 HydrophobicContact CB-CB 4.11Å; P312-A330 HydrophobicContact CG-CB 3.6Å |
| 313 | K | 91.8 | Very high | 89.2 | Confident | 7 Ų | 7 | 17.4 Ų | 17.4 | 3% | 0.03 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -58.2 | -42.4 | 176.3 | -176.5 | 173.1 | -175.9 | 163.3 | 0 | 112.3 | T38 E41 S48 Y310 T317 Y543 | T38-K313 HydrophobicContact CG2-CB 3.61Å; T38-K313 HydrophobicContact CG2-CD 4.33Å; T38-K313 HydrophobicContact CG2-CG 3.9Å; E41-K313 VanDerWaalsContact CD-NZ 3.34Å; E41-K313 IonicContact OE1-NZ 3.69Å; E41-K313 PolarHBondContact OE1-NZ 3.37Å; E41-K313 WeakPolarHBondContact OE2-CE 3.39Å; E41-K313 IonicContact OE2-NZ 3.56Å; E41-K313 PolarHBondContact OE2-NZ 3.37Å; S48-K313 PolarHBondContact OG-NZ 3.22Å; Y310-K313 HydrophobicContact CD1-CD 4.08Å; Y310-K313 WeakPolarHBondContact O-CB 3.42Å; Y310-K313 PolarHBondContact O-N 2.93Å; K313-T317 WeakPolarHBondContact O-CB 3.5Å; K313-T317 WeakPolarHBondContact O-CG2 3.32Å; K313-T317 PolarHBondContact O-N 3.32Å; K313-T317 PolarHBondContact O-OG1 3.03Å; K313-Y543 WeakPolarHBondContact CE-OH 3.42Å; K313-Y543 PolarHBondContact NZ-OH 3.4Å |
| 314 | F | 93.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -61 | -46.2 | 175.4 | 178.3 | -94.8 | 0 | 0 | 0 | 111.4 | Y310 L311 P312 T317 Q318 F319 Y465 F548 R549 Y552 H553 | Y310-F314 WeakPolarHBondContact O-CB 3.36Å; Y310-F314 PolarHBondContact O-N 3.24Å; L311-F314 HydrophobicContact CD1-CD1 4.43Å; L311-F314 WeakPolarHBondContact O-CB 3.39Å; L311-F314 PolarHBondContact O-N 2.89Å; P312-F314 VanDerWaalsContact C-N 3.31Å; P312-F314 PolarHBondContact O-N 3.39Å; F314-T317 PolarHBondContact O-N 2.82Å; F314-T317 PolarHBondContact O-OG1 3.49Å; F314-T317 VanDerWaalsContact O-OG1 3.13Å; F314-Q318 HydrophobicContact CD1-CG 4.3Å; F314-Q318 HydrophobicContact CD2-CG 3.8Å; F314-Q318 HydrophobicContact CE1-CB 4.39Å; F314-Q318 HydrophobicContact CE1-CG 4Å; F314-Q318 HydrophobicContact CE2-CG 3.47Å; F314-Q318 VanDerWaalsContact CE2-CG 3.47Å; F314-Q318 HydrophobicContact CG-CG 4.22Å; F314-Q318 HydrophobicContact CZ-CB 4.37Å; F314-Q318 HydrophobicContact CZ-CG 3.59Å; F314-Q318 VanDerWaalsContact O-CB 3.22Å; F314-Q318 WeakPolarHBondContact O-CB 3.5Å; F314-Q318 VanDerWaalsContact O-CG 3.31Å; F314-Q318 WeakPolarHBondContact O-CG 3.49Å; F314-Q318 PolarHBondContact O-N 3.36Å; F314-F319 HydrophobicContact CE1-CE2 4.18Å; F314-Y465 HydrophobicContact CE1-CE1 4.25Å; F314-Y465 AromaticContact CE1-CE2 3.83Å; F314-Y465 HydrophobicContact CE1-CE2 3.83Å; F314-Y465 AromaticContact CE1-CZ 3.54Å; F314-Y465 VanDerWaalsContact CE1-OH 3.28Å; F314-Y465 WeakPolarHBondContact CE1-OH 3.33Å; F314-F548 HydrophobicContact CB-CZ 4.32Å; F314-F548 HydrophobicContact CD2-CD2 4.1Å; F314-F548 AromaticContact CD2-CE2 3.74Å; F314-F548 HydrophobicContact CD2-CE2 3.74Å; F314-F548 HydrophobicContact CD2-CZ 4.07Å; F314-F548 HydrophobicContact CE2-CD2 4.49Å; F314-R549 HydrophobicContact CE2-CB 4.32Å; F314-R549 HydrophobicContact CE2-CG 4.46Å; F314-R549 HydrophobicContact CZ-CB 4.46Å; F314-R549 HydrophobicContact CZ-CG 4.16Å; F314-Y552 HydrophobicContact CB-CD1 4.39Å; F314-Y552 HydrophobicContact CB-CE1 3.91Å; F314-Y552 HydrophobicContact CD1-CE1 4.34Å; F314-Y552 AromaticContact CD2-CD1 3.46Å; F314-Y552 HydrophobicContact CD2-CD1 3.46Å; F314-Y552 VanDerWaalsContact CD2-CD1 3.46Å; F314-Y552 AromaticContact CD2-CE1 3.81Å; F314-Y552 HydrophobicContact CD2-CE1 3.81Å; F314-Y552 HydrophobicContact CD2-CG 4.15Å; F314-Y552 AromaticContact CE2-CD1 3.78Å; F314-Y552 HydrophobicContact CE2-CD1 3.78Å; F314-Y552 HydrophobicContact CE2-CE1 4.42Å; F314-Y552 AromaticContact CG-CD1 3.9Å; F314-Y552 HydrophobicContact CG-CD1 3.9Å; F314-Y552 AromaticContact CG-CE1 3.75Å; F314-Y552 HydrophobicContact CG-CE1 3.75Å; F314-Y552 HydrophobicContact CZ-CD1 4.47Å; F314-H553 AromaticContact CE1-NE2 3.65Å; F314-H553 AromaticContact CE2-NE2 3.9Å; F314-H553 AromaticContact CZ-CE1 3.87Å; F314-H553 AromaticContact CZ-NE2 3.15Å; F314-H553 WeakPolarHBondContact CZ-NE2 3.46Å |
| 315 | I | 92.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -68.2 | -41.4 | -179.7 | -65.9 | 171.6 | 0 | 0 | 0 | 111.6 | L311 P312 T317 F319 Q321 A326 Y329 A330 I333 L462 Y465 | L311-I315 HydrophobicContact CD1-CD1 4.2Å; L311-I315 HydrophobicContact CD1-CG1 4.33Å; L311-I315 HydrophobicContact CG-CD1 4.11Å; L311-I315 WeakPolarHBondContact O-CG1 3.3Å; L311-I315 PolarHBondContact O-N 2.63Å; P312-I315 PolarHBondContact O-N 3.48Å; P312-I315 VanDerWaalsContact O-N 3.11Å; I315-T317 VanDerWaalsContact C-N 3.32Å; I315-T317 PolarHBondContact O-N 2.84Å; I315-F319 HydrophobicContact CG2-CD2 4.38Å; I315-F319 PolarHBondContact O-N 3.3Å; I315-F319 VanDerWaalsContact O-N 3.15Å; I315-Q321 HydrophobicContact CG2-CB 4.32Å; I315-Q321 HydrophobicContact CG2-CG 4.07Å; I315-A326 HydrophobicContact CB-CB 4.08Å; I315-A326 HydrophobicContact CG2-CB 3.94Å; I315-Y329 HydrophobicContact CG2-CD2 4.07Å; I315-A330 HydrophobicContact CD1-CB 4.21Å; I315-I333 HydrophobicContact CD1-CD1 4.18Å; I315-L462 HydrophobicContact CG2-CD1 4.44Å; I315-Y465 HydrophobicContact CD1-CE1 4.48Å; I315-Y465 HydrophobicContact CG1-CE1 4.23Å |
| 316 | E | 87.1 | Confident | 89.1 | Confident | 14 Ų | 14 | 16.8 Ų | 16.8 | 7% | 0.065 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -57.3 | -45.5 | 176.4 | -168.3 | -174.1 | 160.1 | 0 | 0 | 111 | T38 K42 P312 E320 Q321 A326 | T38-E316 VanDerWaalsContact CB-OE2 3.31Å; T38-E316 WeakPolarHBondContact CB-OE2 3.14Å; T38-E316 WeakPolarHBondContact CG2-OE2 3.41Å; T38-E316 PolarHBondContact OG1-OE2 3.02Å; K42-E316 IonicContact NZ-OE1 2.59Å; K42-E316 PolarHBondContact NZ-OE1 2.88Å; P312-E316 WeakPolarHBondContact O-CB 3.14Å; P312-E316 PolarHBondContact O-N 3.05Å; E316-E320 WeakPolarHBondContact O-CA 3.29Å; E316-E320 PolarHBondContact O-N 2.78Å; E316-Q321 WeakPolarHBondContact CG-O 3.04Å; E316-Q321 PolarHBondContact O-N 2.92Å; E316-A326 HydrophobicContact CB-CB 4.02Å |
| 317 | T | 87.4 | Confident | 89.1 | Confident | 37 Ų | 37 | 16.8 Ų | 16.8 | 23% | 0.227 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -80.8 | -45.2 | -176.5 | 52.7 | 0 | 0 | 0 | 0 | 113.8 | K313 F314 I315 Y543 F548 | K313-T317 WeakPolarHBondContact O-CB 3.5Å; K313-T317 WeakPolarHBondContact O-CG2 3.32Å; K313-T317 PolarHBondContact O-N 3.32Å; K313-T317 PolarHBondContact O-OG1 3.03Å; F314-T317 PolarHBondContact O-N 2.82Å; F314-T317 PolarHBondContact O-OG1 3.49Å; F314-T317 VanDerWaalsContact O-OG1 3.13Å; I315-T317 VanDerWaalsContact C-N 3.32Å; I315-T317 PolarHBondContact O-N 2.84Å; T317-Y543 HydrophobicContact CG2-CD2 3.93Å; T317-Y543 HydrophobicContact CG2-CE2 4.14Å; T317-F548 HydrophobicContact CG2-CE1 4.4Å; T317-F548 VanDerWaalsContact OG1-CE1 3.23Å; T317-F548 WeakPolarHBondContact OG1-CE1 3.43Å |
| 318 | Q | 89.8 | Confident | 89 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -76.3 | -31.6 | -174.8 | -72.8 | -77 | -35.3 | 0 | 0 | 114.2 | F314 C382 N545 | F314-Q318 HydrophobicContact CD1-CG 4.3Å; F314-Q318 HydrophobicContact CD2-CG 3.8Å; F314-Q318 HydrophobicContact CE1-CB 4.39Å; F314-Q318 HydrophobicContact CE1-CG 4Å; F314-Q318 HydrophobicContact CE2-CG 3.47Å; F314-Q318 VanDerWaalsContact CE2-CG 3.47Å; F314-Q318 HydrophobicContact CG-CG 4.22Å; F314-Q318 HydrophobicContact CZ-CB 4.37Å; F314-Q318 HydrophobicContact CZ-CG 3.59Å; F314-Q318 VanDerWaalsContact O-CB 3.22Å; F314-Q318 WeakPolarHBondContact O-CB 3.5Å; F314-Q318 VanDerWaalsContact O-CG 3.31Å; F314-Q318 WeakPolarHBondContact O-CG 3.49Å; F314-Q318 PolarHBondContact O-N 3.36Å; Q318-C382 VanDerWaalsContact O-CB 3.27Å; Q318-C382 WeakPolarHBondContact O-CB 3.34Å; Q318-C382 PolarHBondContact O-SG 2.94Å; Q318-C382 VanDerWaalsContact O-SG 3.4Å; Q318-N545 VanDerWaalsContact NE2-CA 3.28Å; Q318-N545 PolarHBondContact NE2-O 2.98Å; Q318-N545 PolarHBondContact OE1-O 3.11Å |
| 319 | F | 89.2 | Confident | 89 | Confident | 9 Ų | 9 | 21.9 Ų | 21.9 | 4% | 0.039 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -118 | 13.8 | -173.6 | -59.7 | -80.7 | 0 | 0 | 0 | 112.6 | F314 I315 Q321 C382 A461 L462 Y465 | F314-F319 HydrophobicContact CE1-CE2 4.18Å; I315-F319 HydrophobicContact CG2-CD2 4.38Å; I315-F319 PolarHBondContact O-N 3.3Å; I315-F319 VanDerWaalsContact O-N 3.15Å; F319-Q321 HydrophobicContact CB-CG 4.04Å; F319-Q321 PolarHBondContact O-N 3.47Å; F319-Q321 VanDerWaalsContact O-N 3.08Å; F319-Q321 PolarHBondContact O-NE2 3.29Å; F319-C382 WeakPolarHBondContact CD1-SG 3.47Å; F319-A461 HydrophobicContact CE1-CB 4.14Å; F319-L462 HydrophobicContact CB-CB 4.37Å; F319-L462 HydrophobicContact CB-CD1 3.83Å; F319-L462 HydrophobicContact CB-CG 4.47Å; F319-L462 HydrophobicContact CD1-CB 3.64Å; F319-L462 HydrophobicContact CD1-CD1 3.93Å; F319-L462 HydrophobicContact CD1-CG 4.39Å; F319-L462 HydrophobicContact CD2-CD1 3.87Å; F319-L462 HydrophobicContact CE1-CB 4.18Å; F319-L462 HydrophobicContact CE1-CD1 4.47Å; F319-L462 HydrophobicContact CE2-CD1 4.42Å; F319-L462 HydrophobicContact CG-CB 4.14Å; F319-L462 HydrophobicContact CG-CD1 3.61Å; F319-L462 HydrophobicContact CG-CG 4.42Å; F319-Y465 AromaticContact CE2-CD1 3.66Å; F319-Y465 HydrophobicContact CE2-CD1 3.66Å; F319-Y465 HydrophobicContact CE2-CD2 4.25Å; F319-Y465 HydrophobicContact CE2-CE1 4.03Å; F319-Y465 AromaticContact CE2-CG 3.79Å; F319-Y465 HydrophobicContact CE2-CG 3.79Å; F319-Y465 AromaticContact CZ-CD1 3.84Å; F319-Y465 HydrophobicContact CZ-CD1 3.84Å; F319-Y465 AromaticContact CZ-CD2 3.92Å; F319-Y465 HydrophobicContact CZ-CD2 3.92Å; F319-Y465 AromaticContact CZ-CG 3.48Å; F319-Y465 HydrophobicContact CZ-CG 3.48Å; F319-Y465 VanDerWaalsContact CZ-CG 3.48Å |
| 320 | E | 83.2 | Confident | 89 | Confident | 45 Ų | 45 | 21.2 Ų | 21.2 | 21% | 0.21 | 11% | 0.114 | C | C | . | . | trans | 51.7 | 36.1 | 176.2 | -58.8 | 170.3 | -168.2 | 0 | 0 | 112.6 | E316 T457 | E316-E320 WeakPolarHBondContact O-CA 3.29Å; E316-E320 PolarHBondContact O-N 2.78Å; E320-T457 VanDerWaalsContact CD-OG1 3.28Å; E320-T457 PolarHBondContact OE1-OG1 3.17Å; E320-T457 PolarHBondContact OE2-N 2.9Å; E320-T457 PolarHBondContact OE2-OG1 2.72Å | ||
| 321 | Q | 82.9 | Confident | 88.8 | Confident | 47 Ų | 47 | 21.8 Ų | 21.8 | 22% | 0.22 | 12% | 0.12 | C | C | . | . | trans | -84.1 | 155.9 | -179.5 | -65.2 | -56.4 | -64.2 | 0 | 0 | 110.9 | I315 E316 F319 M325 A326 Y329 L462 | I315-Q321 HydrophobicContact CG2-CB 4.32Å; I315-Q321 HydrophobicContact CG2-CG 4.07Å; E316-Q321 WeakPolarHBondContact CG-O 3.04Å; E316-Q321 PolarHBondContact O-N 2.92Å; F319-Q321 HydrophobicContact CB-CG 4.04Å; F319-Q321 PolarHBondContact O-N 3.47Å; F319-Q321 VanDerWaalsContact O-N 3.08Å; F319-Q321 PolarHBondContact O-NE2 3.29Å; Q321-M325 HydrophobicContact CB-CB 4.46Å; Q321-A326 HydrophobicContact CB-CB 4.39Å; Q321-Y329 HydrophobicContact CG-CE2 4.23Å; Q321-L462 HydrophobicContact CG-CD2 4.02Å | ||
| 322 | S | 81.3 | Confident | 88.7 | Confident | 57 Ų | 57 | 25.7 Ų | 25.7 | 40% | 0.399 | 14% | 0.141 | S | C | . | . | trans | -66.3 | 153.4 | 165.6 | 65.7 | 0 | 0 | 0 | 0 | 110.1 | S324 M325 A326 | S322-S324 PolarHBondContact O-N 3.45Å; S322-S324 PolarHBondContact OG-OG 3.03Å; S322-M325 PolarHBondContact O-N 3.49Å; S322-M325 VanDerWaalsContact O-N 3.1Å; S322-M325 WeakPolarHBondContact OG-CG 3.21Å; S322-M325 PolarHBondContact OG-N 3.24Å; S322-A326 WeakPolarHBondContact O-CB 3.44Å; S322-A326 PolarHBondContact O-N 2.96Å | ||
| 323 | A | 81.6 | Confident | 88.8 | Confident | 19 Ų | 19 | 25.6 Ų | 25.6 | 16% | 0.157 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -52.9 | -41.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | M325 A326 D327 | A323-M325 PolarHBondContact O-N 3.02Å; A323-A326 PolarHBondContact O-N 3.2Å; A323-D327 WeakPolarHBondContact O-CB 3.29Å; A323-D327 VanDerWaalsContact O-CG 3.31Å; A323-D327 PolarHBondContact O-N 3.48Å |
| 324 | S | 83.4 | Confident | 88.6 | Confident | 22 Ų | 22 | 26.3 Ų | 26.3 | 15% | 0.154 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.7 | -43.3 | 177.1 | 55.4 | 0 | 0 | 0 | 0 | 113.7 | T204 S322 I328 | T204-S324 PolarHBondContact OG1-O 3.28Å; S322-S324 PolarHBondContact O-N 3.45Å; S322-S324 PolarHBondContact OG-OG 3.03Å; S324-I328 WeakPolarHBondContact O-CG1 3.47Å; S324-I328 PolarHBondContact O-N 3.23Å |
| 325 | M | 87.2 | Confident | 88.2 | Confident | 65 Ų | 65 | 27.9 Ų | 27.9 | 32% | 0.32 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -74.3 | -37.5 | 178.7 | -69 | -57.1 | -59.8 | 0 | 0 | 111.3 | Q321 S322 A323 D327 I328 Y329 | Q321-M325 HydrophobicContact CB-CB 4.46Å; S322-M325 PolarHBondContact O-N 3.49Å; S322-M325 VanDerWaalsContact O-N 3.1Å; S322-M325 WeakPolarHBondContact OG-CG 3.21Å; S322-M325 PolarHBondContact OG-N 3.24Å; A323-M325 PolarHBondContact O-N 3.02Å; M325-D327 VanDerWaalsContact C-N 3.3Å; M325-D327 PolarHBondContact O-N 3.06Å; M325-I328 HydrophobicContact CE-CD1 4.48Å; M325-I328 PolarHBondContact O-N 3.4Å; M325-I328 HydrophobicContact SD-CD1 3.91Å; M325-Y329 HydrophobicContact CB-CE2 4.1Å; M325-Y329 HydrophobicContact CE-CE1 4.19Å; M325-Y329 HydrophobicContact CE-CE2 4.15Å; M325-Y329 VanDerWaalsContact CE-OH 3.26Å; M325-Y329 WeakPolarHBondContact CE-OH 3.2Å; M325-Y329 WeakPolarHBondContact O-CD2 3.38Å; M325-Y329 VanDerWaalsContact O-CG 3.31Å; M325-Y329 PolarHBondContact O-N 3.44Å |
| 326 | A | 89.6 | Confident | 88 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.7 | -41.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | P312 I315 E316 Q321 S322 A323 Y329 A330 | P312-A326 WeakPolarHBondContact O-CB 3.46Å; I315-A326 HydrophobicContact CB-CB 4.08Å; I315-A326 HydrophobicContact CG2-CB 3.94Å; E316-A326 HydrophobicContact CB-CB 4.02Å; Q321-A326 HydrophobicContact CB-CB 4.39Å; S322-A326 WeakPolarHBondContact O-CB 3.44Å; S322-A326 PolarHBondContact O-N 2.96Å; A323-A326 PolarHBondContact O-N 3.2Å; A326-Y329 PolarHBondContact O-N 3.03Å; A326-A330 WeakPolarHBondContact O-CB 3.48Å; A326-A330 PolarHBondContact O-N 3.46Å |
| 327 | D | 90.2 | Very high | 88.2 | Confident | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.1 | -44.2 | 174.5 | -80.3 | -9.8 | 0 | 0 | 0 | 112.8 | G35 F200 S203 P312 A323 M325 Y329 A330 G331 | G35-D327 VanDerWaalsContact CA-OD1 3.3Å; G35-D327 WeakPolarHBondContact CA-OD1 3.49Å; G35-D327 WeakPolarHBondContact CA-OD2 3.1Å; F200-D327 HydrophobicContact CD1-CB 4.01Å; S203-D327 VanDerWaalsContact CB-OD2 3.27Å; S203-D327 WeakPolarHBondContact CB-OD2 3.44Å; S203-D327 PolarHBondContact OG-OD2 3.45Å; P312-D327 VanDerWaalsContact CB-OD1 3.28Å; P312-D327 WeakPolarHBondContact CB-OD1 3.48Å; A323-D327 WeakPolarHBondContact O-CB 3.29Å; A323-D327 VanDerWaalsContact O-CG 3.31Å; A323-D327 PolarHBondContact O-N 3.48Å; M325-D327 VanDerWaalsContact C-N 3.3Å; M325-D327 PolarHBondContact O-N 3.06Å; D327-Y329 PolarHBondContact O-N 2.82Å; D327-A330 PolarHBondContact O-N 3.41Å; D327-G331 PolarHBondContact O-N 3.29Å |
| 328 | I | 91.3 | Very high | 88.3 | Confident | 69 Ų | 69 | 28.2 Ų | 28.2 | 35% | 0.354 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -59.1 | -49.3 | 175.5 | -68.9 | 165.5 | 0 | 0 | 0 | 110.2 | T204 S324 M325 G331 L332 | T204-I328 HydrophobicContact CG2-CD1 3.62Å; T204-I328 HydrophobicContact CG2-CG1 3.77Å; S324-I328 WeakPolarHBondContact O-CG1 3.47Å; S324-I328 PolarHBondContact O-N 3.23Å; M325-I328 HydrophobicContact CE-CD1 4.48Å; M325-I328 PolarHBondContact O-N 3.4Å; M325-I328 HydrophobicContact SD-CD1 3.91Å; I328-G331 PolarHBondContact O-N 2.77Å; I328-L332 WeakPolarHBondContact O-CB 3.32Å; I328-L332 PolarHBondContact O-N 3.49Å |
| 329 | Y | 93.1 | Very high | 88.1 | Confident | 51 Ų | 51 | 29.4 Ų | 29.4 | 20% | 0.2 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -67.1 | -43.1 | -177.9 | -61.5 | -40.9 | 0 | 0 | 0 | 111.9 | I315 Q321 M325 A326 D327 L332 I333 L462 I466 | I315-Y329 HydrophobicContact CG2-CD2 4.07Å; Q321-Y329 HydrophobicContact CG-CE2 4.23Å; M325-Y329 HydrophobicContact CB-CE2 4.1Å; M325-Y329 HydrophobicContact CE-CE1 4.19Å; M325-Y329 HydrophobicContact CE-CE2 4.15Å; M325-Y329 VanDerWaalsContact CE-OH 3.26Å; M325-Y329 WeakPolarHBondContact CE-OH 3.2Å; M325-Y329 WeakPolarHBondContact O-CD2 3.38Å; M325-Y329 VanDerWaalsContact O-CG 3.31Å; M325-Y329 PolarHBondContact O-N 3.44Å; A326-Y329 PolarHBondContact O-N 3.03Å; D327-Y329 PolarHBondContact O-N 2.82Å; Y329-L332 PolarHBondContact O-N 2.97Å; Y329-I333 WeakPolarHBondContact O-CB 3.48Å; Y329-I333 VanDerWaalsContact O-CG1 3.25Å; Y329-I333 WeakPolarHBondContact O-CG1 3.48Å; Y329-I333 PolarHBondContact O-N 3.45Å; Y329-L462 HydrophobicContact CD2-CD1 4.47Å; Y329-L462 HydrophobicContact CE2-CD2 4Å; Y329-I466 HydrophobicContact CD1-CD1 3.55Å; Y329-I466 HydrophobicContact CD1-CG1 4.5Å; Y329-I466 HydrophobicContact CD2-CD1 4.12Å; Y329-I466 HydrophobicContact CE1-CD1 3.77Å; Y329-I466 HydrophobicContact CE2-CD1 4.31Å; Y329-I466 HydrophobicContact CG-CD1 3.74Å; Y329-I466 HydrophobicContact CG-CG1 4.46Å |
| 330 | A | 92.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.2 | -44.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L311 P312 I315 A326 D327 L332 I333 S334 | L311-A330 HydrophobicContact CB-CB 4.17Å; L311-A330 HydrophobicContact CD2-CB 4.05Å; L311-A330 HydrophobicContact CG-CB 3.87Å; P312-A330 HydrophobicContact CB-CB 4.11Å; P312-A330 HydrophobicContact CG-CB 3.6Å; I315-A330 HydrophobicContact CD1-CB 4.21Å; A326-A330 WeakPolarHBondContact O-CB 3.48Å; A326-A330 PolarHBondContact O-N 3.46Å; D327-A330 PolarHBondContact O-N 3.41Å; A330-L332 VanDerWaalsContact C-N 3.34Å; A330-L332 PolarHBondContact O-N 3.16Å; A330-I333 PolarHBondContact O-N 3.4Å; A330-S334 VanDerWaalsContact O-CB 3.31Å; A330-S334 WeakPolarHBondContact O-CB 3.21Å; A330-S334 PolarHBondContact O-N 2.83Å; A330-S334 PolarHBondContact O-OG 3.25Å |
| 331 | G | 90.6 | Very high | 88.6 | Confident | 12 Ų | 12 | 31.1 Ų | 31.1 | 12% | 0.124 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.2 | -40.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | D327 I328 I335 G336 | D327-G331 PolarHBondContact O-N 3.29Å; I328-G331 PolarHBondContact O-N 2.77Å; G331-I335 PolarHBondContact O-N 2.86Å; G331-I335 VanDerWaalsContact O-N 3.11Å; G331-G336 PolarHBondContact O-N 3.01Å |
| 332 | L | 92.1 | Very high | 88.9 | Confident | 82 Ų | 82 | 30.3 Ų | 30.3 | 43% | 0.429 | 18% | 0.183 | S | C | . | . | I | π-helix | trans | -66.4 | -48.8 | 175.3 | -179.5 | 64.6 | 0 | 0 | 0 | 112.2 | I328 Y329 A330 G336 S337 F470 | I328-L332 WeakPolarHBondContact O-CB 3.32Å; I328-L332 PolarHBondContact O-N 3.49Å; Y329-L332 PolarHBondContact O-N 2.97Å; A330-L332 VanDerWaalsContact C-N 3.34Å; A330-L332 PolarHBondContact O-N 3.16Å; L332-G336 WeakPolarHBondContact O-CA 3.28Å; L332-G336 PolarHBondContact O-N 3.29Å; L332-S337 PolarHBondContact O-N 3.47Å; L332-S337 VanDerWaalsContact O-N 3.14Å; L332-F470 HydrophobicContact CD1-CD2 4.32Å; L332-F470 HydrophobicContact CD1-CE2 3.97Å; L332-F470 HydrophobicContact CG-CD2 4.09Å; L332-F470 HydrophobicContact CG-CE2 4.25Å; L332-F470 WeakPolarHBondContact O-CD2 3.48Å |
| 333 | I | 93.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | I | π-helix | trans | -66.2 | -42.6 | -178.1 | -70.7 | 167.9 | 0 | 0 | 0 | 111.1 | L311 I315 Y329 A330 S337 Y465 I466 M469 L473 | L311-I333 HydrophobicContact CD2-CB 4.08Å; L311-I333 HydrophobicContact CD2-CG2 3.83Å; I315-I333 HydrophobicContact CD1-CD1 4.18Å; Y329-I333 WeakPolarHBondContact O-CB 3.48Å; Y329-I333 VanDerWaalsContact O-CG1 3.25Å; Y329-I333 WeakPolarHBondContact O-CG1 3.48Å; Y329-I333 PolarHBondContact O-N 3.45Å; A330-I333 PolarHBondContact O-N 3.4Å; I333-S337 VanDerWaalsContact O-CB 3.27Å; I333-S337 WeakPolarHBondContact O-CB 3.39Å; I333-S337 PolarHBondContact O-OG 2.94Å; I333-Y465 HydrophobicContact CD1-CD1 4.5Å; I333-Y465 HydrophobicContact CD1-CE1 4.15Å; I333-I466 HydrophobicContact CD1-CB 4.42Å; I333-I466 HydrophobicContact CD1-CG1 4.2Å; I333-I466 HydrophobicContact CD1-CG2 4.38Å; I333-I466 HydrophobicContact CG1-CG2 4.34Å; I333-M469 HydrophobicContact CD1-CB 4.16Å; I333-M469 HydrophobicContact CG1-CB 4.29Å; I333-M469 HydrophobicContact CG2-CB 3.68Å; I333-L473 HydrophobicContact CG2-CD1 3.65Å |
| 334 | S | 88.9 | Confident | 89.7 | Confident | 23 Ų | 23 | 33.3 Ų | 33.3 | 16% | 0.161 | 20% | 0.202 | C | C | . | . | I | π-helix | trans | -85.6 | -79 | -176.7 | 62.5 | 0 | 0 | 0 | 0 | 111.6 | A330 S337 V338 | A330-S334 VanDerWaalsContact O-CB 3.31Å; A330-S334 WeakPolarHBondContact O-CB 3.21Å; A330-S334 PolarHBondContact O-N 2.83Å; A330-S334 PolarHBondContact O-OG 3.25Å; S334-S337 PolarHBondContact O-OG 3.35Å; S334-V338 WeakPolarHBondContact O-CB 2.97Å; S334-V338 VanDerWaalsContact O-CG2 3.22Å; S334-V338 WeakPolarHBondContact O-CG2 3.15Å; S334-V338 PolarHBondContact O-N 2.88Å; S334-V338 VanDerWaalsContact O-N 3.1Å |
| 335 | I | 85.5 | Confident | 90.1 | Very high | 33 Ų | 33 | 32.3 Ų | 32.3 | 17% | 0.169 | 19% | 0.194 | C | C | . | . | I | π-helix | trans | -66.4 | -43.9 | -173.1 | -62.8 | 156.1 | 0 | 0 | 0 | 111.1 | P196 A197 F200 G331 S337 V338 A339 | P196-I335 HydrophobicContact CB-CD1 3.49Å; P196-I335 VanDerWaalsContact CB-CD1 3.49Å; P196-I335 HydrophobicContact CB-CG1 4.25Å; A197-I335 HydrophobicContact CB-CG2 4.08Å; F200-I335 HydrophobicContact CD2-CD1 3.37Å; F200-I335 HydrophobicContact CE2-CD1 3.42Å; F200-I335 VanDerWaalsContact CE2-CD1 3.42Å; G331-I335 PolarHBondContact O-N 2.86Å; G331-I335 VanDerWaalsContact O-N 3.11Å; I335-S337 PolarHBondContact O-N 3.47Å; I335-V338 PolarHBondContact O-N 2.88Å; I335-A339 WeakPolarHBondContact O-CB 3.17Å; I335-A339 PolarHBondContact O-N 3.3Å |
| 336 | G | 86.8 | Confident | 90.1 | Very high | 23 Ų | 23 | 29.7 Ų | 29.7 | 24% | 0.237 | 18% | 0.184 | C | C | . | . | I | π-helix | trans | -59.5 | -46.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | G331 L332 V340 | G331-G336 PolarHBondContact O-N 3.01Å; L332-G336 WeakPolarHBondContact O-CA 3.28Å; L332-G336 PolarHBondContact O-N 3.29Å; G336-V340 WeakPolarHBondContact O-CG2 2.87Å; G336-V340 PolarHBondContact O-N 2.97Å |
| 337 | S | 91.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -69 | -43.9 | 179 | 78 | 0 | 0 | 0 | 0 | 112.2 | L332 I333 S334 I335 S341 L473 | L332-S337 PolarHBondContact O-N 3.47Å; L332-S337 VanDerWaalsContact O-N 3.14Å; I333-S337 VanDerWaalsContact O-CB 3.27Å; I333-S337 WeakPolarHBondContact O-CB 3.39Å; I333-S337 PolarHBondContact O-OG 2.94Å; S334-S337 PolarHBondContact O-OG 3.35Å; I335-S337 PolarHBondContact O-N 3.47Å; S337-S341 WeakPolarHBondContact O-CB 2.97Å; S337-S341 PolarHBondContact O-N 3.25Å; S337-S341 PolarHBondContact O-OG 3.09Å; S337-L473 WeakPolarHBondContact OG-CB 3.47Å |
| 338 | V | 89.8 | Confident | 90.2 | Very high | 35 Ų | 35 | 38.5 Ų | 38.5 | 21% | 0.212 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -69.7 | -45.4 | -176.3 | 174.9 | 0 | 0 | 0 | 0 | 111.5 | S334 I335 V340 S341 T342 N477 | S334-V338 WeakPolarHBondContact O-CB 2.97Å; S334-V338 VanDerWaalsContact O-CG2 3.22Å; S334-V338 WeakPolarHBondContact O-CG2 3.15Å; S334-V338 PolarHBondContact O-N 2.88Å; S334-V338 VanDerWaalsContact O-N 3.1Å; I335-V338 PolarHBondContact O-N 2.88Å; V338-V340 PolarHBondContact O-N 3.17Å; V338-S341 WeakPolarHBondContact CA-OG 3.45Å; V338-S341 PolarHBondContact O-OG 3.46Å; V338-S341 VanDerWaalsContact O-OG 3.09Å; V338-T342 HydrophobicContact CG1-CG2 4.06Å; V338-T342 WeakPolarHBondContact O-CB 3.34Å; V338-T342 WeakPolarHBondContact O-CG2 3.27Å; V338-T342 PolarHBondContact O-N 3Å; V338-T342 PolarHBondContact O-OG1 3.47Å; V338-N477 HydrophobicContact CG2-CB 4.5Å |
| 339 | A | 86.4 | Confident | 90.1 | Very high | 25 Ų | 25 | 36.4 Ų | 36.4 | 21% | 0.207 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.6 | -45 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | I335 T342 A343 | I335-A339 WeakPolarHBondContact O-CB 3.17Å; I335-A339 PolarHBondContact O-N 3.3Å; A339-T342 PolarHBondContact O-OG1 2.99Å; A339-T342 VanDerWaalsContact O-OG1 3.12Å; A339-A343 WeakPolarHBondContact O-CB 3.44Å; A339-A343 PolarHBondContact O-N 3.36Å |
| 340 | V | 89.7 | Confident | 89.8 | Confident | 89 Ų | 89 | 38.8 Ų | 38.8 | 54% | 0.539 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -73.1 | -40.4 | -179.2 | -175.2 | 0 | 0 | 0 | 0 | 111.2 | G336 V338 L344 F474 | G336-V340 WeakPolarHBondContact O-CG2 2.87Å; G336-V340 PolarHBondContact O-N 2.97Å; V338-V340 PolarHBondContact O-N 3.17Å; V340-L344 WeakPolarHBondContact O-CB 3.24Å; V340-L344 PolarHBondContact O-N 3.47Å; V340-F474 HydrophobicContact CB-CE2 3.93Å; V340-F474 HydrophobicContact CG1-CE2 3.73Å; V340-F474 HydrophobicContact CG1-CZ 4.41Å |
| 341 | S | 93 | Very high | 89.7 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -67.6 | -42 | 179.9 | 58.3 | 0 | 0 | 0 | 0 | 112.9 | S337 V338 L344 G345 F474 N477 | S337-S341 WeakPolarHBondContact O-CB 2.97Å; S337-S341 PolarHBondContact O-N 3.25Å; S337-S341 PolarHBondContact O-OG 3.09Å; V338-S341 WeakPolarHBondContact CA-OG 3.45Å; V338-S341 PolarHBondContact O-OG 3.46Å; V338-S341 VanDerWaalsContact O-OG 3.09Å; S341-L344 PolarHBondContact O-N 3.23Å; S341-G345 PolarHBondContact O-N 2.97Å; S341-F474 WeakPolarHBondContact CB-O 3.38Å; S341-N477 WeakPolarHBondContact OG-CB 3.27Å |
| 342 | T | 89.6 | Confident | 89.7 | Confident | 30 Ų | 30 | 53 Ų | 53 | 18% | 0.184 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.6 | -41.4 | 178.1 | 50.9 | 0 | 0 | 0 | 0 | 111.9 | V338 A339 G345 G346 F480 | V338-T342 HydrophobicContact CG1-CG2 4.06Å; V338-T342 WeakPolarHBondContact O-CB 3.34Å; V338-T342 WeakPolarHBondContact O-CG2 3.27Å; V338-T342 PolarHBondContact O-N 3Å; V338-T342 PolarHBondContact O-OG1 3.47Å; A339-T342 PolarHBondContact O-OG1 2.99Å; A339-T342 VanDerWaalsContact O-OG1 3.12Å; T342-G345 PolarHBondContact O-N 3.45Å; T342-G346 PolarHBondContact O-N 3.43Å; T342-F480 HydrophobicContact CG2-CB 4.13Å; T342-F480 HydrophobicContact CG2-CD1 4.02Å |
| 343 | A | 87.1 | Confident | 89.5 | Confident | 67 Ų | 67 | 55.8 Ų | 55.8 | 55% | 0.554 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -63 | -46.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | A339 G345 G346 Y347 | A339-A343 WeakPolarHBondContact O-CB 3.44Å; A339-A343 PolarHBondContact O-N 3.36Å; A343-G345 VanDerWaalsContact C-N 3.33Å; A343-G345 PolarHBondContact O-N 2.95Å; A343-G346 PolarHBondContact O-N 2.9Å; A343-Y347 PolarHBondContact O-N 2.96Å; A343-Y347 VanDerWaalsContact O-N 3.07Å |
| 344 | L | 91.4 | Very high | 89.2 | Confident | 73 Ų | 73 | 57 Ų | 57 | 38% | 0.382 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.9 | -42.4 | 176 | 178.8 | 59.4 | 0 | 0 | 0 | 111.4 | V340 S341 Y347 L348 F474 L478 | V340-L344 WeakPolarHBondContact O-CB 3.24Å; V340-L344 PolarHBondContact O-N 3.47Å; S341-L344 PolarHBondContact O-N 3.23Å; L344-Y347 WeakPolarHBondContact O-CB 2.97Å; L344-Y347 PolarHBondContact O-N 2.92Å; L344-L348 HydrophobicContact CG-CD1 4.31Å; L344-L348 VanDerWaalsContact O-CG 3.31Å; L344-L348 WeakPolarHBondContact O-CG 3.48Å; L344-L348 PolarHBondContact O-N 2.94Å; L344-F474 HydrophobicContact CD2-CE1 4.28Å; L344-F474 HydrophobicContact CD2-CZ 3.9Å; L344-L478 HydrophobicContact CB-CD2 4.32Å; L344-L478 HydrophobicContact CD2-CD2 3.88Å; L344-L478 HydrophobicContact CG-CD2 3.98Å |
| 345 | G | 91.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.3 | -45.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | S341 T342 A343 Y347 L348 L349 L478 | S341-G345 PolarHBondContact O-N 2.97Å; T342-G345 PolarHBondContact O-N 3.45Å; A343-G345 VanDerWaalsContact C-N 3.33Å; A343-G345 PolarHBondContact O-N 2.95Å; G345-Y347 VanDerWaalsContact C-N 3.27Å; G345-Y347 PolarHBondContact O-N 3.24Å; G345-L348 PolarHBondContact O-N 3.4Å; G345-L348 VanDerWaalsContact O-N 3.16Å; G345-L349 WeakPolarHBondContact O-CG 3.09Å; G345-L349 PolarHBondContact O-N 2.69Å; G345-L478 WeakPolarHBondContact CA-O 3.38Å |
| 346 | G | 87.9 | Confident | 89 | Confident | 11 Ų | 11 | 62.7 Ų | 62.7 | 11% | 0.113 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -58.9 | -40.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | T342 A343 T350 | T342-G346 PolarHBondContact O-N 3.43Å; A343-G346 PolarHBondContact O-N 2.9Å; G346-T350 WeakPolarHBondContact O-CB 3.27Å; G346-T350 PolarHBondContact O-N 3.25Å; G346-T350 VanDerWaalsContact O-N 3.1Å; G346-T350 PolarHBondContact O-OG1 2.58Å |
| 347 | Y | 88.8 | Confident | 89.2 | Confident | 141 Ų | 141 | 65 Ų | 65 | 55% | 0.553 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -62.2 | -45.9 | 172.6 | 175.1 | -97.6 | 0 | 0 | 0 | 112.2 | A343 L344 G345 T350 R351 | A343-Y347 PolarHBondContact O-N 2.96Å; A343-Y347 VanDerWaalsContact O-N 3.07Å; L344-Y347 WeakPolarHBondContact O-CB 2.97Å; L344-Y347 PolarHBondContact O-N 2.92Å; G345-Y347 VanDerWaalsContact C-N 3.27Å; G345-Y347 PolarHBondContact O-N 3.24Å; Y347-T350 PolarHBondContact O-N 3.38Å; Y347-R351 HydrophobicContact CE1-CB 4.28Å; Y347-R351 HydrophobicContact CE1-CG 4.43Å; Y347-R351 WeakPolarHBondContact O-CB 3.22Å; Y347-R351 PolarHBondContact O-N 3.35Å |
| 348 | L | 91.9 | Very high | 89.3 | Confident | 45 Ų | 45 | 69.1 Ų | 69.1 | 24% | 0.236 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.8 | -46.1 | 178.7 | -68.8 | 171.3 | 0 | 0 | 0 | 112.2 | L344 G345 T350 R351 F352 L478 F479 | L344-L348 HydrophobicContact CG-CD1 4.31Å; L344-L348 VanDerWaalsContact O-CG 3.31Å; L344-L348 WeakPolarHBondContact O-CG 3.48Å; L344-L348 PolarHBondContact O-N 2.94Å; G345-L348 PolarHBondContact O-N 3.4Å; G345-L348 VanDerWaalsContact O-N 3.16Å; L348-T350 VanDerWaalsContact C-N 3.28Å; L348-T350 PolarHBondContact O-N 3.19Å; L348-R351 PolarHBondContact O-N 3.45Å; L348-F352 HydrophobicContact CD2-CD2 4.26Å; L348-F352 HydrophobicContact CD2-CE2 3.79Å; L348-F352 WeakPolarHBondContact O-CD2 3.31Å; L348-F352 PolarHBondContact O-N 3.13Å; L348-F352 VanDerWaalsContact O-N 3.12Å; L348-L478 HydrophobicContact CD1-CD2 4.14Å; L348-F479 HydrophobicContact CB-CE1 4.45Å; L348-F479 HydrophobicContact CD1-CZ 4.46Å |
| 349 | L | 89.9 | Confident | 89.4 | Confident | 25 Ų | 25 | 67.7 Ų | 67.7 | 13% | 0.131 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -57.6 | -42.5 | 176.8 | -74.2 | 169.1 | 0 | 0 | 0 | 111.6 | G345 N353 I354 A359 F479 M481 | G345-L349 WeakPolarHBondContact O-CG 3.09Å; G345-L349 PolarHBondContact O-N 2.69Å; L349-N353 PolarHBondContact O-N 3.35Å; L349-I354 HydrophobicContact CD2-CB 4.08Å; L349-I354 HydrophobicContact CD2-CD1 4.14Å; L349-I354 HydrophobicContact CD2-CG2 4.34Å; L349-I354 PolarHBondContact O-N 3.48Å; L349-A359 HydrophobicContact CD2-CB 3.79Å; L349-F479 HydrophobicContact CD1-CD1 4.36Å; L349-F479 HydrophobicContact CD2-CD1 3.86Å; L349-F479 HydrophobicContact CD2-CE1 4.19Å; L349-F479 HydrophobicContact CG-CD1 3.95Å; L349-F479 HydrophobicContact CG-CE1 4.25Å; L349-M481 HydrophobicContact CD1-CB 4.31Å |
| 350 | T | 87.9 | Confident | 89.8 | Confident | 101 Ų | 101 | 66.5 Ų | 66.5 | 62% | 0.62 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -74.6 | -45.5 | -179.1 | -52.5 | 0 | 0 | 0 | 0 | 111.8 | G346 Y347 L348 F352 N353 | G346-T350 WeakPolarHBondContact O-CB 3.27Å; G346-T350 PolarHBondContact O-N 3.25Å; G346-T350 VanDerWaalsContact O-N 3.1Å; G346-T350 PolarHBondContact O-OG1 2.58Å; Y347-T350 PolarHBondContact O-N 3.38Å; L348-T350 VanDerWaalsContact C-N 3.28Å; L348-T350 PolarHBondContact O-N 3.19Å; T350-F352 VanDerWaalsContact C-N 3.32Å; T350-F352 PolarHBondContact O-N 2.74Å; T350-N353 PolarHBondContact O-N 3.49Å; T350-N353 PolarHBondContact O-OD1 3.21Å |
| 351 | R | 89.7 | Confident | 90.2 | Very high | 170 Ų | 170 | 65.4 Ų | 65.4 | 64% | 0.642 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -65.1 | -37.1 | -175.7 | 179.5 | 58.2 | 179.5 | -177.9 | 1.8 | 112.3 | Y347 L348 | Y347-R351 HydrophobicContact CE1-CB 4.28Å; Y347-R351 HydrophobicContact CE1-CG 4.43Å; Y347-R351 WeakPolarHBondContact O-CB 3.22Å; Y347-R351 PolarHBondContact O-N 3.35Å; L348-R351 PolarHBondContact O-N 3.45Å |
| 352 | F | 90.7 | Very high | 90.4 | Very high | 140 Ų | 140 | 67.4 Ų | 67.4 | 61% | 0.614 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.5 | 2.5 | -177.8 | -66.1 | -69.1 | 0 | 0 | 0 | 113.7 | L348 T350 I354 | L348-F352 HydrophobicContact CD2-CD2 4.26Å; L348-F352 HydrophobicContact CD2-CE2 3.79Å; L348-F352 WeakPolarHBondContact O-CD2 3.31Å; L348-F352 PolarHBondContact O-N 3.13Å; L348-F352 VanDerWaalsContact O-N 3.12Å; T350-F352 VanDerWaalsContact C-N 3.32Å; T350-F352 PolarHBondContact O-N 2.74Å; F352-I354 HydrophobicContact CB-CD1 4.23Å; F352-I354 HydrophobicContact CB-CG1 3.8Å; F352-I354 PolarHBondContact O-N 2.94Å |
| 353 | N | 87.7 | Confident | 90.7 | Very high | 140 Ų | 140 | 66 Ų | 66 | 75% | 0.749 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45 | 50.4 | -178 | -73.6 | -31.7 | 0 | 0 | 0 | 112.5 | L349 T350 Q355 | L349-N353 PolarHBondContact O-N 3.35Å; T350-N353 PolarHBondContact O-N 3.49Å; T350-N353 PolarHBondContact O-OD1 3.21Å; N353-Q355 PolarHBondContact O-N 3.23Å |
| 354 | I | 86.2 | Confident | 91.2 | Very high | 27 Ų | 27 | 63.8 Ų | 63.8 | 14% | 0.138 | 31% | 0.309 | C | S | . | . | trans | -65.2 | 127.4 | -171.8 | -61.7 | -179.3 | 0 | 0 | 0 | 109.8 | L349 F352 L358 A359 L362 F479 | L349-I354 HydrophobicContact CD2-CB 4.08Å; L349-I354 HydrophobicContact CD2-CD1 4.14Å; L349-I354 HydrophobicContact CD2-CG2 4.34Å; L349-I354 PolarHBondContact O-N 3.48Å; F352-I354 HydrophobicContact CB-CD1 4.23Å; F352-I354 HydrophobicContact CB-CG1 3.8Å; F352-I354 PolarHBondContact O-N 2.94Å; I354-L358 HydrophobicContact CG2-CB 3.91Å; I354-L358 HydrophobicContact CG2-CD2 4.01Å; I354-L358 HydrophobicContact CG2-CG 3.83Å; I354-A359 HydrophobicContact CG2-CB 3.87Å; I354-L362 HydrophobicContact CD1-CD1 3.94Å; I354-L362 HydrophobicContact CG2-CD1 4.29Å; I354-F479 HydrophobicContact CD1-CE1 4.36Å | ||
| 355 | Q | 87.2 | Confident | 91.5 | Very high | 144 Ų | 144 | 64.4 Ų | 64.4 | 67% | 0.673 | 31% | 0.312 | S | S | * | . | trans | -63 | 148.8 | 177.2 | -69.1 | -177 | -3.6 | 0 | 0 | 111.6 | N353 R357 L358 A359 | N353-Q355 PolarHBondContact O-N 3.23Å; Q355-R357 PolarHBondContact O-N 3.28Å; Q355-L358 PolarHBondContact O-N 2.95Å; Q355-L358 VanDerWaalsContact O-N 3.11Å; Q355-A359 PolarHBondContact O-N 3.43Å | ||
| 356 | P | 84.7 | Confident | 91.8 | Very high | 30 Ų | 30 | 64.8 Ų | 64.8 | 20% | 0.195 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -50.3 | -48.1 | -175.7 | -24.4 | 28.4 | 0 | 0 | 0 | 114.5 | L358 A359 T360 Y579 | P356-L358 PolarHBondContact O-N 2.86Å; P356-A359 WeakPolarHBondContact O-CB 3.37Å; P356-A359 PolarHBondContact O-N 3.37Å; P356-T360 PolarHBondContact O-N 2.96Å; P356-T360 PolarHBondContact O-OG1 2.88Å; P356-T360 VanDerWaalsContact O-OG1 3.14Å; P356-Y579 HydrophobicContact CB-CE2 4.42Å; P356-Y579 HydrophobicContact CG-CE2 4.47Å |
| 357 | R | 90.4 | Very high | 92.2 | Very high | 71 Ų | 71 | 64.5 Ų | 64.5 | 27% | 0.268 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.2 | -40.3 | -178.9 | -65.8 | -169.1 | 75.5 | -173.6 | 3.2 | 112.5 | Q355 T360 L361 Y571 Q574 E575 | Q355-R357 PolarHBondContact O-N 3.28Å; R357-T360 PolarHBondContact O-N 3.47Å; R357-L361 PolarHBondContact O-N 3.33Å; R357-Y571 HydrophobicContact CB-CE2 4.37Å; R357-Y571 WeakPolarHBondContact O-CE2 2.89Å; R357-Q574 HydrophobicContact CG-CB 4.03Å; R357-E575 VanDerWaalsContact CZ-CA 3.47Å; R357-E575 IonicContact CZ-OE2 3.35Å; R357-E575 VanDerWaalsContact NH1-CG 3.32Å; R357-E575 IonicContact NH1-OE2 2.69Å; R357-E575 VanDerWaalsContact NH2-CB 3.33Å; R357-E575 IonicContact NH2-OE2 2.59Å; R357-E575 PolarHBondContact NH2-OE2 3.15Å |
| 358 | L | 92.7 | Very high | 92.6 | Very high | 88 Ų | 88 | 60.2 Ų | 60.2 | 46% | 0.461 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -66.8 | -39.3 | 175.9 | -179.8 | 59 | 0 | 0 | 0 | 110.9 | I354 Q355 P356 T360 L361 L362 | I354-L358 HydrophobicContact CG2-CB 3.91Å; I354-L358 HydrophobicContact CG2-CD2 4.01Å; I354-L358 HydrophobicContact CG2-CG 3.83Å; Q355-L358 PolarHBondContact O-N 2.95Å; Q355-L358 VanDerWaalsContact O-N 3.11Å; P356-L358 PolarHBondContact O-N 2.86Å; L358-T360 PolarHBondContact O-N 3.03Å; L358-L361 HydrophobicContact CD1-CD2 4.37Å; L358-L361 PolarHBondContact O-N 3.5Å; L358-L362 HydrophobicContact CG-CD1 4.38Å; L358-L362 VanDerWaalsContact O-CG 3.32Å; L358-L362 WeakPolarHBondContact O-CG 3.49Å; L358-L362 PolarHBondContact O-N 2.88Å |
| 359 | A | 93.6 | Very high | 92.9 | Very high | 5 Ų | 5 | 61 Ų | 61 | 4% | 0.041 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.6 | -44 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | L349 I354 Q355 P356 L361 L362 L363 T482 | L349-A359 HydrophobicContact CD2-CB 3.79Å; I354-A359 HydrophobicContact CG2-CB 3.87Å; Q355-A359 PolarHBondContact O-N 3.43Å; P356-A359 WeakPolarHBondContact O-CB 3.37Å; P356-A359 PolarHBondContact O-N 3.37Å; A359-L361 PolarHBondContact O-N 3.4Å; A359-L362 PolarHBondContact O-N 3.13Å; A359-L363 PolarHBondContact O-N 3.45Å; A359-T482 HydrophobicContact CB-CG2 3.72Å |
| 360 | T | 94.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65.4 | -36.6 | 176.1 | -56.3 | 0 | 0 | 0 | 0 | 112.1 | P356 R357 L358 L363 I364 V486 V567 Y571 Q574 | P356-T360 PolarHBondContact O-N 2.96Å; P356-T360 PolarHBondContact O-OG1 2.88Å; P356-T360 VanDerWaalsContact O-OG1 3.14Å; R357-T360 PolarHBondContact O-N 3.47Å; L358-T360 PolarHBondContact O-N 3.03Å; T360-L363 WeakPolarHBondContact O-CB 3.48Å; T360-L363 PolarHBondContact O-N 2.03Å; T360-I364 HydrophobicContact CG2-CD1 4.47Å; T360-I364 WeakPolarHBondContact O-CG1 3.31Å; T360-I364 PolarHBondContact O-N 2.99Å; T360-V486 WeakPolarHBondContact OG1-CG2 3.44Å; T360-V567 HydrophobicContact CG2-CG1 3.89Å; T360-Y571 HydrophobicContact CG2-CD2 4.38Å; T360-Q574 PolarHBondContact OG1-NE2 2.73Å; T360-Q574 PolarHBondContact OG1-OE1 3.08Å |
| 361 | L | 96.8 | Very high | 93.7 | Very high | 65 Ų | 65 | 57 Ų | 57 | 34% | 0.34 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.7 | -44.7 | 172.4 | -179.5 | 64.9 | 0 | 0 | 0 | 111.9 | R357 L358 A359 L363 I364 I365 Y571 | R357-L361 PolarHBondContact O-N 3.33Å; L358-L361 HydrophobicContact CD1-CD2 4.37Å; L358-L361 PolarHBondContact O-N 3.5Å; A359-L361 PolarHBondContact O-N 3.4Å; L361-L363 VanDerWaalsContact C-N 3.32Å; L361-L363 PolarHBondContact O-N 3.15Å; L361-I364 PolarHBondContact O-N 3.11Å; L361-I365 HydrophobicContact CG-CD1 4.31Å; L361-I365 WeakPolarHBondContact O-CG1 3.4Å; L361-I365 PolarHBondContact O-N 2.64Å; L361-Y571 HydrophobicContact CB-CE2 4.04Å |
| 362 | L | 97 | Very high | 94 | Very high | 43 Ų | 43 | 54.2 Ų | 54.2 | 23% | 0.225 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.4 | -39.8 | 176.2 | -69.8 | 170.6 | 0 | 0 | 0 | 111.7 | I354 L358 A359 I365 T366 F479 | I354-L362 HydrophobicContact CD1-CD1 3.94Å; I354-L362 HydrophobicContact CG2-CD1 4.29Å; L358-L362 HydrophobicContact CG-CD1 4.38Å; L358-L362 VanDerWaalsContact O-CG 3.32Å; L358-L362 WeakPolarHBondContact O-CG 3.49Å; L358-L362 PolarHBondContact O-N 2.88Å; A359-L362 PolarHBondContact O-N 3.13Å; L362-I365 PolarHBondContact O-N 3.48Å; L362-T366 WeakPolarHBondContact O-CG2 3.45Å; L362-T366 PolarHBondContact O-N 3.25Å; L362-T366 PolarHBondContact O-OG1 3.22Å; L362-F479 HydrophobicContact CB-CD1 4.31Å; L362-F479 HydrophobicContact CB-CD2 3.64Å; L362-F479 HydrophobicContact CB-CE1 4.49Å; L362-F479 HydrophobicContact CB-CE2 3.85Å; L362-F479 HydrophobicContact CB-CG 3.89Å; L362-F479 HydrophobicContact CB-CZ 4.28Å; L362-F479 HydrophobicContact CD1-CD1 4.41Å; L362-F479 HydrophobicContact CD1-CE1 3.92Å; L362-F479 HydrophobicContact CD1-CE2 4.18Å; L362-F479 HydrophobicContact CD1-CZ 3.8Å; L362-F479 HydrophobicContact CD2-CE2 4.29Å; L362-F479 HydrophobicContact CG-CE2 4.33Å; L362-F479 HydrophobicContact CG-CZ 4.44Å |
| 363 | L | 96.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.1 | -44.6 | 172.8 | 176.9 | 67.8 | 0 | 0 | 0 | 111.9 | M293 A359 T360 L361 I365 T366 W367 F479 T482 T483 V567 | M293-L363 HydrophobicContact CE-CD2 3.5Å; M293-L363 VanDerWaalsContact CE-CD2 3.5Å; A359-L363 PolarHBondContact O-N 3.45Å; T360-L363 WeakPolarHBondContact O-CB 3.48Å; T360-L363 PolarHBondContact O-N 2.03Å; L361-L363 VanDerWaalsContact C-N 3.32Å; L361-L363 PolarHBondContact O-N 3.15Å; L363-I365 VanDerWaalsContact C-N 3.35Å; L363-I365 PolarHBondContact O-N 3.08Å; L363-T366 PolarHBondContact O-N 3.4Å; L363-T366 PolarHBondContact O-OG1 2.65Å; L363-W367 HydrophobicContact CD1-CD2 4.24Å; L363-W367 HydrophobicContact CD1-CG 4.25Å; L363-W367 HydrophobicContact CD1-CZ2 4.19Å; L363-W367 VanDerWaalsContact CD1-NE1 3.33Å; L363-W367 HydrophobicContact CG-CD2 4.44Å; L363-W367 VanDerWaalsContact O-CB 3.31Å; L363-W367 WeakPolarHBondContact O-CB 3.36Å; L363-W367 PolarHBondContact O-N 2.72Å; L363-F479 HydrophobicContact CB-CB 4.37Å; L363-F479 WeakPolarHBondContact CD1-O 3.45Å; L363-T482 HydrophobicContact CB-CG2 4.39Å; L363-T482 HydrophobicContact CD2-CG2 4.28Å; L363-T483 HydrophobicContact CD2-CG2 4Å; L363-V567 HydrophobicContact CD2-CG1 4.04Å |
| 364 | I | 97.7 | Very high | 94.7 | Very high | 20 Ų | 20 | 41.4 Ų | 41.4 | 10% | 0.103 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.5 | -46.5 | 176.7 | -68.2 | 162.7 | 0 | 0 | 0 | 110.3 | T360 L361 T366 W367 V368 V567 V568 Y571 | T360-I364 HydrophobicContact CG2-CD1 4.47Å; T360-I364 WeakPolarHBondContact O-CG1 3.31Å; T360-I364 PolarHBondContact O-N 2.99Å; L361-I364 PolarHBondContact O-N 3.11Å; I364-T366 PolarHBondContact O-N 3.32Å; I364-W367 PolarHBondContact O-N 3.24Å; I364-V368 HydrophobicContact CG2-CG2 4.48Å; I364-V368 VanDerWaalsContact O-CG2 3.28Å; I364-V368 WeakPolarHBondContact O-CG2 3.41Å; I364-V368 PolarHBondContact O-N 3.47Å; I364-V567 HydrophobicContact CD1-CG1 4.2Å; I364-V567 HydrophobicContact CG1-CB 4.37Å; I364-V567 HydrophobicContact CG1-CG1 3.63Å; I364-V568 HydrophobicContact CD1-CG2 3.95Å; I364-V568 HydrophobicContact CG1-CG2 4.24Å; I364-V568 HydrophobicContact CG2-CG2 3.97Å; I364-Y571 HydrophobicContact CD1-CG 4.21Å |
| 365 | I | 98 | Very high | 95.2 | Very high | 87 Ų | 87 | 43.2 Ų | 43.2 | 45% | 0.446 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -59.2 | -47.3 | 178.8 | -66.8 | 166.5 | 0 | 0 | 0 | 110.5 | L361 L362 L363 V368 I369 | L361-I365 HydrophobicContact CG-CD1 4.31Å; L361-I365 WeakPolarHBondContact O-CG1 3.4Å; L361-I365 PolarHBondContact O-N 2.64Å; L362-I365 PolarHBondContact O-N 3.48Å; L363-I365 VanDerWaalsContact C-N 3.35Å; L363-I365 PolarHBondContact O-N 3.08Å; I365-V368 PolarHBondContact O-N 2.87Å; I365-I369 WeakPolarHBondContact O-CG1 3.44Å; I365-I369 PolarHBondContact O-N 3.25Å; I365-I369 VanDerWaalsContact O-N 3.12Å |
| 366 | T | 96.8 | Very high | 95.6 | Very high | 8 Ų | 8 | 40.4 Ų | 40.4 | 5% | 0.049 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -69.9 | -35.1 | -179.3 | 62.3 | 0 | 0 | 0 | 0 | 112.3 | L362 L363 I364 V368 I369 I370 L475 G476 L478 F479 | L362-T366 WeakPolarHBondContact O-CG2 3.45Å; L362-T366 PolarHBondContact O-N 3.25Å; L362-T366 PolarHBondContact O-OG1 3.22Å; L363-T366 PolarHBondContact O-N 3.4Å; L363-T366 PolarHBondContact O-OG1 2.65Å; I364-T366 PolarHBondContact O-N 3.32Å; T366-V368 VanDerWaalsContact C-N 3.32Å; T366-V368 PolarHBondContact O-N 3.11Å; T366-I369 WeakPolarHBondContact O-CB 3.45Å; T366-I369 PolarHBondContact O-N 3.46Å; T366-I369 VanDerWaalsContact O-N 3.11Å; T366-I370 PolarHBondContact O-N 3.44Å; T366-L475 WeakPolarHBondContact CB-O 3.18Å; T366-L475 VanDerWaalsContact CG2-O 3.26Å; T366-L475 WeakPolarHBondContact CG2-O 3.38Å; T366-G476 WeakPolarHBondContact CB-O 3.43Å; T366-G476 VanDerWaalsContact O-CA 3.32Å; T366-G476 WeakPolarHBondContact O-CA 3.35Å; T366-G476 PolarHBondContact OG1-O 3.38Å; T366-G476 VanDerWaalsContact OG1-O 3.09Å; T366-L478 HydrophobicContact CG2-CB 4.49Å; T366-F479 HydrophobicContact CG2-CD2 3.67Å; T366-F479 HydrophobicContact CG2-CE2 4.25Å |
| 367 | W | 97 | Very high | 96 | Very high | 4 Ų | 4 | 39 Ų | 39 | 2% | 0.015 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67 | -32 | 173.6 | -82.4 | 19.5 | 0 | 0 | 0 | 113.3 | G296 L363 I364 I369 I370 F371 T483 Q560 A563 I564 V567 | G296-W367 WeakPolarHBondContact O-CH2 3.32Å; L363-W367 HydrophobicContact CD1-CD2 4.24Å; L363-W367 HydrophobicContact CD1-CG 4.25Å; L363-W367 HydrophobicContact CD1-CZ2 4.19Å; L363-W367 VanDerWaalsContact CD1-NE1 3.33Å; L363-W367 HydrophobicContact CG-CD2 4.44Å; L363-W367 VanDerWaalsContact O-CB 3.31Å; L363-W367 WeakPolarHBondContact O-CB 3.36Å; L363-W367 PolarHBondContact O-N 2.72Å; I364-W367 PolarHBondContact O-N 3.24Å; W367-I369 VanDerWaalsContact C-N 3.34Å; W367-I370 WeakPolarHBondContact O-CB 3.28Å; W367-I370 PolarHBondContact O-N 3.26Å; W367-F371 PolarHBondContact O-N 3.5Å; W367-T483 HydrophobicContact CZ2-CG2 4.1Å; W367-Q560 PolarHBondContact O-NE2 2.87Å; W367-A563 HydrophobicContact CE3-CB 3.81Å; W367-A563 HydrophobicContact CH2-CB 4.2Å; W367-A563 HydrophobicContact CZ3-CB 3.38Å; W367-I564 HydrophobicContact CB-CD1 4.46Å; W367-I564 HydrophobicContact CB-CG1 3.84Å; W367-I564 HydrophobicContact CE3-CG1 4.46Å; W367-V567 HydrophobicContact CE3-CG2 3.96Å; W367-V567 HydrophobicContact CH2-CG2 3.97Å; W367-V567 HydrophobicContact CZ3-CB 4.39Å; W367-V567 HydrophobicContact CZ3-CG2 3.37Å |
| 368 | V | 98.1 | Very high | 96.2 | Very high | 52 Ų | 52 | 37.3 Ų | 37.3 | 32% | 0.315 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -65.2 | -38 | 169.8 | 170.1 | 0 | 0 | 0 | 0 | 110.9 | I364 I365 T366 I370 F371 F372 I564 | I364-V368 HydrophobicContact CG2-CG2 4.48Å; I364-V368 VanDerWaalsContact O-CG2 3.28Å; I364-V368 WeakPolarHBondContact O-CG2 3.41Å; I364-V368 PolarHBondContact O-N 3.47Å; I365-V368 PolarHBondContact O-N 2.87Å; T366-V368 VanDerWaalsContact C-N 3.32Å; T366-V368 PolarHBondContact O-N 3.11Å; V368-I370 VanDerWaalsContact C-N 3.33Å; V368-I370 PolarHBondContact O-N 3.44Å; V368-F371 WeakPolarHBondContact O-CB 3.18Å; V368-F371 PolarHBondContact O-N 2.96Å; V368-F372 HydrophobicContact CG1-CD2 3.72Å; V368-F372 HydrophobicContact CG1-CE2 3.56Å; V368-F372 VanDerWaalsContact O-CD2 3.28Å; V368-F372 WeakPolarHBondContact O-CD2 3.29Å; V368-F372 PolarHBondContact O-N 3.46Å; V368-I564 HydrophobicContact CG2-CD1 4.04Å; V368-I564 HydrophobicContact CG2-CG2 4.23Å |
| 369 | I | 97.7 | Very high | 96.1 | Very high | 61 Ų | 61 | 36.7 Ų | 36.7 | 31% | 0.313 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -59.9 | -43.7 | 172.4 | -63.4 | 169.5 | 0 | 0 | 0 | 110.6 | I365 T366 W367 F371 F372 T373 L475 | I365-I369 WeakPolarHBondContact O-CG1 3.44Å; I365-I369 PolarHBondContact O-N 3.25Å; I365-I369 VanDerWaalsContact O-N 3.12Å; T366-I369 WeakPolarHBondContact O-CB 3.45Å; T366-I369 PolarHBondContact O-N 3.46Å; T366-I369 VanDerWaalsContact O-N 3.11Å; W367-I369 VanDerWaalsContact C-N 3.34Å; I369-F371 VanDerWaalsContact C-N 3.35Å; I369-F371 PolarHBondContact O-N 2.91Å; I369-F372 PolarHBondContact O-N 3.38Å; I369-T373 WeakPolarHBondContact O-CB 3.26Å; I369-T373 PolarHBondContact O-N 3.08Å; I369-T373 PolarHBondContact O-OG1 2.83Å; I369-L475 HydrophobicContact CD1-CB 4.47Å; I369-L475 HydrophobicContact CG2-CB 4.33Å |
| 370 | I | 96.1 | Very high | 96 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.1 | -47.1 | 175.1 | -64.8 | -179.1 | 0 | 0 | 0 | 110.9 | L303 T366 W367 V368 F372 T373 Y374 L473 G476 Q560 | L303-I370 HydrophobicContact CD2-CD1 4.36Å; L303-I370 HydrophobicContact CD2-CG2 4.48Å; T366-I370 PolarHBondContact O-N 3.44Å; W367-I370 WeakPolarHBondContact O-CB 3.28Å; W367-I370 PolarHBondContact O-N 3.26Å; V368-I370 VanDerWaalsContact C-N 3.33Å; V368-I370 PolarHBondContact O-N 3.44Å; I370-F372 PolarHBondContact O-N 2.85Å; I370-T373 WeakPolarHBondContact O-CB 3.49Å; I370-T373 PolarHBondContact O-N 3.12Å; I370-T373 VanDerWaalsContact O-N 3.14Å; I370-Y374 HydrophobicContact CG2-CD2 3.93Å; I370-Y374 HydrophobicContact CG2-CE2 3.2Å; I370-Y374 VanDerWaalsContact O-CD2 3.31Å; I370-Y374 WeakPolarHBondContact O-CD2 3.31Å; I370-Y374 PolarHBondContact O-N 3.1Å; I370-Y374 VanDerWaalsContact O-N 3.1Å; I370-L473 HydrophobicContact CG2-CD2 4.32Å; I370-G476 VanDerWaalsContact CG1-CA 3.4Å; I370-Q560 HydrophobicContact CB-CG 4.33Å; I370-Q560 HydrophobicContact CG2-CG 3.93Å |
| 371 | F | 97.3 | Very high | 95.6 | Very high | 40 Ų | 40 | 39.5 Ų | 39.5 | 18% | 0.175 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -56 | -51 | 178.9 | 171.2 | -98.2 | 0 | 0 | 0 | 111.8 | W367 V368 I369 T373 Y374 L375 A557 Q560 L561 I564 | W367-F371 PolarHBondContact O-N 3.5Å; V368-F371 WeakPolarHBondContact O-CB 3.18Å; V368-F371 PolarHBondContact O-N 2.96Å; I369-F371 VanDerWaalsContact C-N 3.35Å; I369-F371 PolarHBondContact O-N 2.91Å; F371-T373 VanDerWaalsContact C-N 3.31Å; F371-T373 PolarHBondContact O-N 2.96Å; F371-Y374 PolarHBondContact O-N 3.36Å; F371-L375 HydrophobicContact CD1-CD1 4.21Å; F371-L375 HydrophobicContact CE1-CD1 3.53Å; F371-L375 HydrophobicContact CE1-CG 4.39Å; F371-L375 HydrophobicContact CZ-CD1 3.72Å; F371-L375 HydrophobicContact CZ-CG 4.37Å; F371-L375 PolarHBondContact O-N 3.22Å; F371-A557 HydrophobicContact CD2-CB 4.04Å; F371-A557 VanDerWaalsContact CD2-O 3.32Å; F371-A557 WeakPolarHBondContact CD2-O 3.31Å; F371-A557 HydrophobicContact CE2-CB 4Å; F371-Q560 HydrophobicContact CB-CG 3.97Å; F371-L561 HydrophobicContact CD2-CB 4.15Å; F371-L561 HydrophobicContact CE2-CB 4Å; F371-L561 HydrophobicContact CE2-CD1 4.49Å; F371-I564 HydrophobicContact CB-CD1 3.87Å; F371-I564 HydrophobicContact CG-CD1 4.49Å |
| 372 | F | 97.6 | Very high | 95.1 | Very high | 113 Ų | 113 | 36.6 Ų | 36.6 | 50% | 0.496 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -66.2 | -33.5 | 177.2 | -77 | -68.4 | 0 | 0 | 0 | 112.7 | V368 I369 I370 Y374 L375 L376 | V368-F372 HydrophobicContact CG1-CD2 3.72Å; V368-F372 HydrophobicContact CG1-CE2 3.56Å; V368-F372 VanDerWaalsContact O-CD2 3.28Å; V368-F372 WeakPolarHBondContact O-CD2 3.29Å; V368-F372 PolarHBondContact O-N 3.46Å; I369-F372 PolarHBondContact O-N 3.38Å; I370-F372 PolarHBondContact O-N 2.85Å; F372-Y374 VanDerWaalsContact C-N 3.32Å; F372-Y374 PolarHBondContact O-N 3.26Å; F372-L375 HydrophobicContact CD1-CD1 4.27Å; F372-L375 PolarHBondContact O-N 2.68Å; F372-L376 WeakPolarHBondContact O-CD1 3.37Å; F372-L376 PolarHBondContact O-N 3.19Å |
| 373 | T | 96.9 | Very high | 94.4 | Very high | 10 Ų | 10 | 40.7 Ų | 40.7 | 6% | 0.061 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.4 | -46.5 | 175.5 | -59.5 | 0 | 0 | 0 | 0 | 110.5 | I369 I370 F371 L375 L376 G377 M469 G472 | I369-T373 WeakPolarHBondContact O-CB 3.26Å; I369-T373 PolarHBondContact O-N 3.08Å; I369-T373 PolarHBondContact O-OG1 2.83Å; I370-T373 WeakPolarHBondContact O-CB 3.49Å; I370-T373 PolarHBondContact O-N 3.12Å; I370-T373 VanDerWaalsContact O-N 3.14Å; F371-T373 VanDerWaalsContact C-N 3.31Å; F371-T373 PolarHBondContact O-N 2.96Å; T373-L375 PolarHBondContact O-N 2.88Å; T373-L376 WeakPolarHBondContact O-CB 3.3Å; T373-L376 PolarHBondContact O-N 3.38Å; T373-G377 PolarHBondContact O-N 3.26Å; T373-M469 HydrophobicContact CG2-CE 3.73Å; T373-M469 HydrophobicContact CG2-SD 4.08Å; T373-M469 WeakPolarHBondContact O-CE 3.5Å; T373-G472 WeakPolarHBondContact OG1-CA 3.33Å |
| 374 | Y | 95.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.5 | -38.7 | 176.6 | -65.7 | -50.8 | 0 | 0 | 0 | 113.5 | L303 Y307 I370 F371 F372 L376 G377 I378 L473 N556 | L303-Y374 WeakPolarHBondContact CD1-OH 3.42Å; L303-Y374 WeakPolarHBondContact CD2-OH 3.38Å; Y307-Y374 HydrophobicContact CD1-CE1 4.27Å; Y307-Y374 HydrophobicContact CD2-CE1 4.29Å; Y307-Y374 AromaticContact CE1-CE1 3.89Å; Y307-Y374 HydrophobicContact CE1-CE1 3.89Å; Y307-Y374 HydrophobicContact CE2-CD1 4.04Å; Y307-Y374 AromaticContact CE2-CE1 3.9Å; Y307-Y374 HydrophobicContact CE2-CE1 3.9Å; Y307-Y374 HydrophobicContact CG-CE1 4.46Å; Y307-Y374 AromaticContact CZ-CE1 3.69Å; I370-Y374 HydrophobicContact CG2-CD2 3.93Å; I370-Y374 HydrophobicContact CG2-CE2 3.2Å; I370-Y374 VanDerWaalsContact O-CD2 3.31Å; I370-Y374 WeakPolarHBondContact O-CD2 3.31Å; I370-Y374 PolarHBondContact O-N 3.1Å; I370-Y374 VanDerWaalsContact O-N 3.1Å; F371-Y374 PolarHBondContact O-N 3.36Å; F372-Y374 VanDerWaalsContact C-N 3.32Å; F372-Y374 PolarHBondContact O-N 3.26Å; Y374-L376 VanDerWaalsContact C-N 3.3Å; Y374-L376 PolarHBondContact O-N 2.92Å; Y374-G377 WeakPolarHBondContact O-CA 3.17Å; Y374-G377 PolarHBondContact O-N 3.22Å; Y374-G377 VanDerWaalsContact O-N 3.09Å; Y374-I378 PolarHBondContact O-N 2.59Å; Y374-L473 HydrophobicContact CE1-CD2 4.22Å; Y374-L473 WeakPolarHBondContact OH-CD2 2.93Å; Y374-N556 HydrophobicContact CD2-CB 4.47Å; Y374-N556 VanDerWaalsContact CE1-ND2 3.33Å; Y374-N556 WeakPolarHBondContact CE1-ND2 3.4Å; Y374-N556 WeakPolarHBondContact CE2-ND2 3.35Å; Y374-N556 PolarHBondContact OH-ND2 3.47Å; Y374-N556 VanDerWaalsContact OH-ND2 3.09Å |
| 375 | L | 96.3 | Very high | 92.2 | Very high | 66 Ų | 66 | 42.6 Ų | 42.6 | 35% | 0.346 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -62.4 | -39.7 | 174.4 | -64.2 | -176.6 | 0 | 0 | 0 | 111.6 | F371 F372 T373 G377 I378 A557 | F371-L375 HydrophobicContact CD1-CD1 4.21Å; F371-L375 HydrophobicContact CE1-CD1 3.53Å; F371-L375 HydrophobicContact CE1-CG 4.39Å; F371-L375 HydrophobicContact CZ-CD1 3.72Å; F371-L375 HydrophobicContact CZ-CG 4.37Å; F371-L375 PolarHBondContact O-N 3.22Å; F372-L375 HydrophobicContact CD1-CD1 4.27Å; F372-L375 PolarHBondContact O-N 2.68Å; T373-L375 PolarHBondContact O-N 2.88Å; L375-G377 VanDerWaalsContact C-N 3.3Å; L375-G377 PolarHBondContact O-N 2.92Å; L375-I378 HydrophobicContact CD2-CD1 4.22Å; L375-I378 WeakPolarHBondContact O-CB 3.27Å; L375-I378 PolarHBondContact O-N 3.41Å; L375-A557 HydrophobicContact CD2-CB 4.15Å |
| 376 | L | 95.6 | Very high | 90.8 | Very high | 85 Ų | 85 | 43.1 Ų | 43.1 | 45% | 0.445 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -65.8 | -33.2 | 172.4 | -94.6 | 67.7 | 0 | 0 | 0 | 112 | F372 T373 Y374 I378 A379 F380 T468 | F372-L376 WeakPolarHBondContact O-CD1 3.37Å; F372-L376 PolarHBondContact O-N 3.19Å; T373-L376 WeakPolarHBondContact O-CB 3.3Å; T373-L376 PolarHBondContact O-N 3.38Å; Y374-L376 VanDerWaalsContact C-N 3.3Å; Y374-L376 PolarHBondContact O-N 2.92Å; L376-I378 PolarHBondContact O-N 3.17Å; L376-A379 WeakPolarHBondContact O-CB 3.37Å; L376-A379 PolarHBondContact O-N 3Å; L376-F380 HydrophobicContact CB-CE2 4.4Å; L376-F380 VanDerWaalsContact O-CD2 3.23Å; L376-F380 WeakPolarHBondContact O-CD2 3.49Å; L376-T468 HydrophobicContact CB-CG2 4.05Å; L376-T468 HydrophobicContact CD2-CG2 4.01Å |
| 377 | G | 93.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -57 | -31.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | T373 Y374 L375 A379 F380 H553 | T373-G377 PolarHBondContact O-N 3.26Å; Y374-G377 WeakPolarHBondContact O-CA 3.17Å; Y374-G377 PolarHBondContact O-N 3.22Å; Y374-G377 VanDerWaalsContact O-N 3.09Å; L375-G377 VanDerWaalsContact C-N 3.3Å; L375-G377 PolarHBondContact O-N 2.92Å; G377-A379 VanDerWaalsContact C-N 3.25Å; G377-A379 PolarHBondContact O-N 3.36Å; G377-F380 PolarHBondContact O-N 3.39Å; G377-H553 PolarHBondContact O-NE2 3.44Å |
| 378 | I | 93.8 | Very high | 88.1 | Confident | 36 Ų | 36 | 45.8 Ų | 45.8 | 19% | 0.185 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -65.2 | -30.2 | 175 | -58.9 | 169.4 | 0 | 0 | 0 | 111.9 | Y374 L375 L376 R549 Y550 H553 | Y374-I378 PolarHBondContact O-N 2.59Å; L375-I378 HydrophobicContact CD2-CD1 4.22Å; L375-I378 WeakPolarHBondContact O-CB 3.27Å; L375-I378 PolarHBondContact O-N 3.41Å; L376-I378 PolarHBondContact O-N 3.17Å; I378-R549 WeakPolarHBondContact O-CD 3.25Å; I378-R549 PolarHBondContact O-NE 3.2Å; I378-Y550 HydrophobicContact CG2-CD2 4.22Å; I378-H553 HydrophobicContact CD1-CB 4.1Å; I378-H553 HydrophobicContact CG1-CB 3.46Å; I378-H553 VanDerWaalsContact CG1-CB 3.46Å |
| 379 | A | 91.2 | Very high | 86.5 | Confident | 74 Ų | 74 | 45.3 Ų | 45.3 | 61% | 0.612 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -76.1 | -28.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L376 G377 | L376-A379 WeakPolarHBondContact O-CB 3.37Å; L376-A379 PolarHBondContact O-N 3Å; G377-A379 VanDerWaalsContact C-N 3.25Å; G377-A379 PolarHBondContact O-N 3.36Å |
| 380 | F | 90.6 | Very high | 84.6 | Confident | 48 Ų | 48 | 45.5 Ų | 45.5 | 21% | 0.211 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -101.3 | 99.2 | -176.3 | -56.6 | -60.4 | 0 | 0 | 0 | 111.2 | L376 G377 M464 Y465 T468 | L376-F380 HydrophobicContact CB-CE2 4.4Å; L376-F380 VanDerWaalsContact O-CD2 3.23Å; L376-F380 WeakPolarHBondContact O-CD2 3.49Å; G377-F380 PolarHBondContact O-N 3.39Å; F380-M464 HydrophobicContact CD1-CB 4Å; F380-M464 HydrophobicContact CE1-CB 4.09Å; F380-M464 HydrophobicContact CE1-SD 4.4Å; F380-Y465 HydrophobicContact CB-CD2 4.1Å; F380-T468 HydrophobicContact CD2-CG2 4.39Å; F380-T468 HydrophobicContact CE2-CG2 3.91Å; F380-T468 WeakPolarHBondContact CE2-OG1 3.3Å |
| 381 | G | 86.2 | Confident | 83 | Confident | 16 Ų | 16 | 50.1 Ų | 50.1 | 17% | 0.165 | 29% | 0.285 | C | S | . | . | trans | -162 | 172.5 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 382 | C | 86.6 | Confident | 80.9 | Confident | 4 Ų | 4 | 58.4 Ų | 58.4 | 3% | 0.027 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -90.1 | 164.1 | 178.8 | -51.6 | 0 | 0 | 0 | 0 | 111 | Q318 F319 C459 R549 | Q318-C382 VanDerWaalsContact O-CB 3.27Å; Q318-C382 WeakPolarHBondContact O-CB 3.34Å; Q318-C382 PolarHBondContact O-SG 2.94Å; Q318-C382 VanDerWaalsContact O-SG 3.4Å; F319-C382 WeakPolarHBondContact CD1-SG 3.47Å; C382-C459 VanDerWaalsContact CA-SG 3.55Å; C382-C459 HydrophobicContact CB-CB 3.82Å; C382-C459 WeakPolarHBondContact CB-SG 3.38Å; C382-C459 WeakPolarHBondContact SG-CB 3.37Å; C382-C459 CovalentContact SG-SG 2.03Å; C382-C459 PolarHBondContact SG-SG 3.26Å; C382-R549 PolarHBondContact O-NH1 3.03Å |
| 383 | D | 82.6 | Confident | 79.3 | Confident | 129 Ų | 129 | 59.6 Ų | 59.6 | 69% | 0.69 | 32% | 0.317 | S | S | * | . | P | Polyproline II helix | trans | -68.4 | 165.7 | 175.3 | -71 | -36.5 | 0 | 0 | 0 | 111.4 | L385 N545 | D383-L385 PolarHBondContact O-N 2.89Å; D383-N545 PolarHBondContact O-ND2 2.82Å |
| 384 | Q | 79.1 | Confident | 77.9 | Confident | 48 Ų | 48 | 63 Ų | 63 | 22% | 0.224 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -62.3 | 133 | 176.7 | -176 | 63.8 | 16.5 | 0 | 0 | 110.4 | T386 Y543 | Q384-T386 PolarHBondContact O-N 3.17Å; Q384-T386 VanDerWaalsContact O-N 3.15Å; Q384-Y543 PolarHBondContact NE2-O 2.76Å |
| 385 | L | 70.1 | Confident | 76.7 | Confident | 13 Ų | 13 | 64.4 Ų | 64.4 | 7% | 0.068 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -57.9 | 119.4 | 169.1 | 179.7 | 79.7 | 0 | 0 | 0 | 110.1 | D383 L387 F454 L542 | D383-L385 PolarHBondContact O-N 2.89Å; L385-L387 HydrophobicContact CD2-CD2 4.49Å; L385-L387 HydrophobicContact CD2-CG 4.46Å; L385-L387 PolarHBondContact O-N 3.18Å; L385-F454 HydrophobicContact CD1-CB 3.88Å; L385-F454 HydrophobicContact CD1-CD1 3.83Å; L385-F454 HydrophobicContact CD1-CG 4.03Å; L385-F454 HydrophobicContact CD2-CD1 3.17Å; L385-F454 HydrophobicContact CD2-CE1 3.15Å; L385-F454 HydrophobicContact CD2-CG 3.96Å; L385-F454 HydrophobicContact CD2-CZ 3.92Å; L385-F454 HydrophobicContact CG-CD1 4.1Å; L385-F454 HydrophobicContact CG-CE1 4.46Å; L385-L542 HydrophobicContact CD2-CD1 4.08Å |
| 386 | T | 67.3 | Low | 75.5 | Confident | 97 Ų | 97 | 64 Ų | 64 | 60% | 0.595 | 34% | 0.34 | S | S | * | . | trans | -84.1 | 95.4 | 176.5 | 56.8 | 0 | 0 | 0 | 0 | 110.7 | Q384 | Q384-T386 PolarHBondContact O-N 3.17Å; Q384-T386 VanDerWaalsContact O-N 3.15Å | ||
| 387 | L | 70.9 | Confident | 74.4 | Confident | 11 Ų | 11 | 60.9 Ų | 60.9 | 6% | 0.058 | 33% | 0.325 | C | S | . | . | B | Isolated β-bridge | trans | -68.4 | 132.1 | 161.9 | -76.9 | 179.4 | 0 | 0 | 0 | 109.9 | L385 C389 F390 F395 F411 T420 L542 | L385-L387 HydrophobicContact CD2-CD2 4.49Å; L385-L387 HydrophobicContact CD2-CG 4.46Å; L385-L387 PolarHBondContact O-N 3.18Å; L387-C389 PolarHBondContact O-N 3.38Å; L387-F390 HydrophobicContact CB-CB 4.03Å; L387-F390 HydrophobicContact CB-CD2 4.31Å; L387-F390 HydrophobicContact CD1-CD2 4.44Å; L387-F390 WeakPolarHBondContact O-CB 3.42Å; L387-F390 PolarHBondContact O-N 2.78Å; L387-F395 HydrophobicContact CB-CE1 4.48Å; L387-F395 HydrophobicContact CD1-CE1 4.11Å; L387-F395 HydrophobicContact CD1-CZ 4.43Å; L387-F411 HydrophobicContact CD1-CE2 4.02Å; L387-F411 HydrophobicContact CD1-CZ 4.27Å; L387-F411 HydrophobicContact CD2-CE2 4.11Å; L387-F411 HydrophobicContact CD2-CZ 4.1Å; L387-T420 WeakPolarHBondContact CA-O 3.37Å; L387-T420 HydrophobicContact CD2-CG2 3.71Å; L387-L542 HydrophobicContact CD1-CD2 3.63Å; L387-L542 HydrophobicContact CG-CD2 4.41Å |
| 388 | F | 67.3 | Low | 73.6 | Confident | 58 Ų | 58 | 68.7 Ų | 68.7 | 25% | 0.254 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | 132.5 | 172.2 | -172.3 | -114.8 | 0 | 0 | 0 | 109.8 | F390 T397 T420 Y421 | F388-F390 VanDerWaalsContact C-N 3.26Å; F388-F390 PolarHBondContact O-N 3.4Å; F388-T397 HydrophobicContact CD1-CG2 4.24Å; F388-T397 HydrophobicContact CE1-CG2 3.65Å; F388-T420 PolarHBondContact N-O 2.99Å; F388-Y421 HydrophobicContact CB-CD1 4.18Å; F388-Y421 HydrophobicContact CB-CE1 4.16Å; F388-Y421 AromaticContact CD1-CD1 3.81Å; F388-Y421 HydrophobicContact CD1-CD1 3.81Å; F388-Y421 AromaticContact CD1-CE1 3.34Å; F388-Y421 HydrophobicContact CD1-CE1 3.34Å; F388-Y421 AromaticContact CE1-CE1 3.86Å; F388-Y421 HydrophobicContact CE1-CE1 3.86Å; F388-Y421 HydrophobicContact CG-CD1 4.34Å; F388-Y421 AromaticContact CG-CE1 3.91Å; F388-Y421 HydrophobicContact CG-CE1 3.91Å |
| 389 | C | 63.6 | Low | 73 | Confident | 41 Ų | 41 | 69.3 Ų | 69.3 | 28% | 0.277 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.7 | 19.1 | -173.6 | -70.4 | 0 | 0 | 0 | 0 | 117 | L387 A391 R392 N394 T397 | L387-C389 PolarHBondContact O-N 3.38Å; C389-A391 VanDerWaalsContact C-N 3.34Å; C389-A391 PolarHBondContact O-N 2.97Å; C389-R392 PolarHBondContact O-N 2.85Å; C389-N394 WeakPolarHBondContact CB-O 3.31Å; C389-T397 HydrophobicContact CB-CG2 4.42Å; C389-T397 WeakPolarHBondContact SG-CG2 3.3Å |
| 390 | F | 58.9 | Low | 72.6 | Confident | 66 Ų | 66 | 65.8 Ų | 65.8 | 29% | 0.289 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -50.5 | -45.8 | 175.7 | 179.7 | -104.2 | 0 | 0 | 0 | 114.5 | L387 F388 R392 W393 I528 L542 | L387-F390 HydrophobicContact CB-CB 4.03Å; L387-F390 HydrophobicContact CB-CD2 4.31Å; L387-F390 HydrophobicContact CD1-CD2 4.44Å; L387-F390 WeakPolarHBondContact O-CB 3.42Å; L387-F390 PolarHBondContact O-N 2.78Å; F388-F390 VanDerWaalsContact C-N 3.26Å; F388-F390 PolarHBondContact O-N 3.4Å; F390-R392 PolarHBondContact O-N 2.86Å; F390-W393 PolarHBondContact O-N 3.45Å; F390-W393 VanDerWaalsContact O-N 3.12Å; F390-I528 HydrophobicContact CE2-CD1 4.25Å; F390-I528 HydrophobicContact CE2-CG2 3.77Å; F390-I528 HydrophobicContact CZ-CD1 3.85Å; F390-I528 HydrophobicContact CZ-CG2 3.77Å; F390-L542 HydrophobicContact CD2-CD2 4.06Å; F390-L542 HydrophobicContact CE2-CD2 3.6Å |
| 391 | A | 61.4 | Low | 72 | Confident | 98 Ų | 98 | 69.5 Ų | 69.5 | 81% | 0.81 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -61.3 | -19.9 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | C389 | C389-A391 VanDerWaalsContact C-N 3.34Å; C389-A391 PolarHBondContact O-N 2.97Å |
| 392 | R | 54.7 | Low | 71.6 | Confident | 214 Ų | 214 | 74.3 Ų | 74.3 | 81% | 0.808 | 37% | 0.374 | S | S | * | . | G | 310 helix | trans | -102.3 | -6.7 | -178.8 | -74.7 | -175.2 | 176 | 170 | -0.3 | 113.8 | C389 F390 N394 | C389-R392 PolarHBondContact O-N 2.85Å; F390-R392 PolarHBondContact O-N 2.86Å; R392-N394 HydrophobicContact CB-CB 3.96Å; R392-N394 PolarHBondContact O-N 3.43Å |
| 393 | W | 62.4 | Low | 71.1 | Confident | 138 Ų | 138 | 74.5 Ų | 74.5 | 52% | 0.523 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.5 | 21.3 | -165.3 | -74.2 | 97.2 | 0 | 0 | 0 | 113.6 | F390 F395 I528 A529 | F390-W393 PolarHBondContact O-N 3.45Å; F390-W393 VanDerWaalsContact O-N 3.12Å; W393-F395 HydrophobicContact CE3-CE2 4.32Å; W393-F395 HydrophobicContact CE3-CZ 4.28Å; W393-I528 HydrophobicContact CH2-CG2 3.59Å; W393-I528 WeakPolarHBondContact CH2-O 3.23Å; W393-I528 HydrophobicContact CZ2-CG2 3.25Å; W393-I528 WeakPolarHBondContact CZ2-O 3.18Å; W393-A529 HydrophobicContact CH2-CB 3.5Å; W393-A529 VanDerWaalsContact CH2-CB 3.5Å; W393-A529 HydrophobicContact CZ3-CB 3.69Å |
| 394 | N | 67.7 | Low | 70.8 | Confident | 81 Ų | 81 | 72.9 Ų | 72.9 | 43% | 0.433 | 37% | 0.367 | S | S | . | . | trans | -124.6 | 86.4 | -175.6 | -165.5 | -8.7 | 0 | 0 | 0 | 105.5 | C389 R392 T396 | C389-N394 WeakPolarHBondContact CB-O 3.31Å; R392-N394 HydrophobicContact CB-CB 3.96Å; R392-N394 PolarHBondContact O-N 3.43Å; N394-T396 PolarHBondContact O-N 3.36Å; N394-T396 PolarHBondContact OD1-N 2.87Å; N394-T396 PolarHBondContact OD1-O 3.32Å; N394-T396 PolarHBondContact OD1-OG1 2.92Å | ||
| 395 | F | 71 | Confident | 70.6 | Confident | 29 Ų | 29 | 71.4 Ų | 71.4 | 13% | 0.127 | 36% | 0.361 | C | S | . | . | trans | -70.2 | -18.9 | -180 | -56.2 | -72 | 0 | 0 | 0 | 111 | L387 W393 T397 F422 H426 | L387-F395 HydrophobicContact CB-CE1 4.48Å; L387-F395 HydrophobicContact CD1-CE1 4.11Å; L387-F395 HydrophobicContact CD1-CZ 4.43Å; W393-F395 HydrophobicContact CE3-CE2 4.32Å; W393-F395 HydrophobicContact CE3-CZ 4.28Å; F395-T397 PolarHBondContact O-N 3.44Å; F395-F422 HydrophobicContact CB-CB 4.1Å; F395-F422 HydrophobicContact CD1-CB 3.91Å; F395-F422 HydrophobicContact CD1-CD2 4.23Å; F395-F422 HydrophobicContact CD1-CG 4.45Å; F395-F422 HydrophobicContact CD2-CB 4.28Å; F395-F422 AromaticContact CD2-CD2 3.58Å; F395-F422 HydrophobicContact CD2-CD2 3.58Å; F395-F422 HydrophobicContact CD2-CE2 4.13Å; F395-F422 HydrophobicContact CD2-CG 4.03Å; F395-F422 HydrophobicContact CE1-CB 4.42Å; F395-F422 HydrophobicContact CE1-CD2 4.11Å; F395-F422 AromaticContact CE2-CD2 3.45Å; F395-F422 HydrophobicContact CE2-CD2 3.45Å; F395-F422 VanDerWaalsContact CE2-CD2 3.45Å; F395-F422 AromaticContact CE2-CE2 3.8Å; F395-F422 HydrophobicContact CE2-CE2 3.8Å; F395-F422 HydrophobicContact CE2-CG 4.33Å; F395-F422 HydrophobicContact CG-CB 3.83Å; F395-F422 AromaticContact CG-CD2 3.99Å; F395-F422 HydrophobicContact CG-CD2 3.99Å; F395-F422 HydrophobicContact CG-CG 4.09Å; F395-F422 AromaticContact CZ-CD2 3.73Å; F395-F422 HydrophobicContact CZ-CD2 3.73Å; F395-F422 HydrophobicContact CZ-CE2 4.32Å; F395-H426 VanDerWaalsContact C-CD2 3.47Å; F395-H426 WeakPolarHBondContact CB-CD2 3.2Å; F395-H426 PolarHBondContact O-CD2 3.37Å | ||
| 396 | T | 71.5 | Confident | 70.5 | Confident | 57 Ų | 57 | 74 Ų | 74 | 35% | 0.35 | 38% | 0.379 | S | S | . | . | trans | -70.3 | 114.8 | 171.6 | 59.3 | 0 | 0 | 0 | 0 | 110.8 | N394 S400 | N394-T396 PolarHBondContact O-N 3.36Å; N394-T396 PolarHBondContact OD1-N 2.87Å; N394-T396 PolarHBondContact OD1-O 3.32Å; N394-T396 PolarHBondContact OD1-OG1 2.92Å; T396-S400 WeakPolarHBondContact CA-OG 3.38Å | ||
| 397 | T | 72.6 | Confident | 70.2 | Confident | 21 Ų | 21 | 76.5 Ų | 76.5 | 13% | 0.129 | 39% | 0.394 | C | S | . | . | trans | -100.3 | 168.7 | 176.1 | 63.6 | 0 | 0 | 0 | 0 | 110.5 | F388 C389 F395 C399 S400 K401 | F388-T397 HydrophobicContact CD1-CG2 4.24Å; F388-T397 HydrophobicContact CE1-CG2 3.65Å; C389-T397 HydrophobicContact CB-CG2 4.42Å; C389-T397 WeakPolarHBondContact SG-CG2 3.3Å; F395-T397 PolarHBondContact O-N 3.44Å; T397-C399 PolarHBondContact O-N 2.98Å; T397-C399 VanDerWaalsContact O-N 3.14Å; T397-S400 PolarHBondContact N-OG 2.74Å; T397-S400 PolarHBondContact O-N 3.5Å; T397-S400 VanDerWaalsContact O-N 3.1Å; T397-S400 PolarHBondContact OG1-N 2.95Å; T397-S400 PolarHBondContact OG1-OG 3.21Å; T397-K401 WeakPolarHBondContact O-CG 3.49Å; T397-K401 PolarHBondContact O-N 2.86Å | ||
| 398 | E | 76.8 | Confident | 69.6 | Low | 163 Ų | 163 | 81.5 Ų | 81.5 | 76% | 0.762 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -30.3 | 174.2 | -166.3 | 136.9 | -140.6 | 0 | 0 | 112.7 | ||
| 399 | C | 81.2 | Confident | 69.3 | Low | 50 Ų | 50 | 79.7 Ų | 79.7 | 34% | 0.338 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -48.5 | 173.1 | 178.8 | 0 | 0 | 0 | 0 | 112.5 | T397 K401 C443 | T397-C399 PolarHBondContact O-N 2.98Å; T397-C399 VanDerWaalsContact O-N 3.14Å; C399-K401 VanDerWaalsContact C-N 3.33Å; C399-K401 PolarHBondContact O-N 3.31Å; C399-C443 HydrophobicContact CB-CB 3.84Å; C399-C443 WeakPolarHBondContact CB-SG 3.25Å; C399-C443 WeakPolarHBondContact SG-CA 3.23Å; C399-C443 WeakPolarHBondContact SG-CB 3.1Å; C399-C443 CovalentContact SG-SG 2.05Å; C399-C443 PolarHBondContact SG-SG 3.28Å |
| 400 | S | 81.3 | Confident | 69.3 | Low | 0 Ų | 0 | 81.1 Ų | 81.1 | 0% | 0 | 41% | 0.411 | C | S | . | . | G | 310 helix | trans | -82 | -7.2 | -174.7 | 71.8 | 0 | 0 | 0 | 0 | 114.4 | T396 T397 Q402 C403 | T396-S400 WeakPolarHBondContact CA-OG 3.38Å; T397-S400 PolarHBondContact N-OG 2.74Å; T397-S400 PolarHBondContact O-N 3.5Å; T397-S400 VanDerWaalsContact O-N 3.1Å; T397-S400 PolarHBondContact OG1-N 2.95Å; T397-S400 PolarHBondContact OG1-OG 3.21Å; S400-Q402 PolarHBondContact O-N 3.21Å; S400-Q402 VanDerWaalsContact O-N 3.14Å; S400-C403 VanDerWaalsContact O-CB 3.24Å; S400-C403 WeakPolarHBondContact O-CB 3.12Å; S400-C403 PolarHBondContact O-N 3.08Å; S400-C403 PolarHBondContact O-SG 3.19Å |
| 401 | K | 78.4 | Confident | 69.9 | Low | 126 Ų | 126 | 79.2 Ų | 79.2 | 55% | 0.548 | 40% | 0.403 | S | S | . | . | G | 310 helix | trans | -52.5 | -32.8 | 173 | -86.9 | 178.1 | -171.8 | 176.5 | 0 | 113 | T397 C399 C403 N404 | T397-K401 WeakPolarHBondContact O-CG 3.49Å; T397-K401 PolarHBondContact O-N 2.86Å; C399-K401 VanDerWaalsContact C-N 3.33Å; C399-K401 PolarHBondContact O-N 3.31Å; K401-C403 PolarHBondContact O-N 3.43Å; K401-N404 PolarHBondContact O-OD1 3.17Å |
| 402 | Q | 77.6 | Confident | 70.5 | Confident | 117 Ų | 117 | 75.8 Ų | 75.8 | 55% | 0.547 | 37% | 0.371 | S | S | . | . | G | 310 helix | trans | -71.6 | -19.2 | -179.6 | -62.6 | 175.1 | -7.5 | 0 | 0 | 112.9 | E127 S400 | E127-Q402 HydrophobicContact CG-CB 4.33Å; S400-Q402 PolarHBondContact O-N 3.21Å; S400-Q402 VanDerWaalsContact O-N 3.14Å |
| 403 | C | 77.9 | Confident | 71.7 | Confident | 8 Ų | 8 | 66 Ų | 66 | 5% | 0.054 | 34% | 0.335 | C | S | . | . | G | 310 helix | trans | -82.9 | -16.1 | -176.5 | -48.9 | 0 | 0 | 0 | 0 | 113.6 | C125 S400 K401 C405 | C125-C403 HydrophobicContact CB-CB 3.65Å; C125-C403 WeakPolarHBondContact CB-SG 3.25Å; C125-C403 WeakPolarHBondContact SG-CB 3.4Å; C125-C403 CovalentContact SG-SG 2.01Å; C125-C403 PolarHBondContact SG-SG 2.77Å; S400-C403 VanDerWaalsContact O-CB 3.24Å; S400-C403 WeakPolarHBondContact O-CB 3.12Å; S400-C403 PolarHBondContact O-N 3.08Å; S400-C403 PolarHBondContact O-SG 3.19Å; K401-C403 PolarHBondContact O-N 3.43Å; C403-C405 VanDerWaalsContact C-N 3.29Å; C403-C405 PolarHBondContact O-N 3.01Å |
| 404 | N | 74.8 | Confident | 72.7 | Confident | 95 Ų | 95 | 59.6 Ų | 59.6 | 51% | 0.508 | 31% | 0.311 | S | S | . | . | trans | 44.3 | 50.2 | -172.9 | -77.2 | -17.8 | 0 | 0 | 0 | 113.3 | M129 K401 | M129-N404 PolarHBondContact O-ND2 2.9Å; K401-N404 PolarHBondContact O-OD1 3.17Å | ||
| 405 | C | 75.5 | Confident | 73.6 | Confident | 16 Ų | 16 | 56.2 Ų | 56.2 | 11% | 0.108 | 29% | 0.294 | C | S | . | . | trans | -58.7 | 139 | -179.1 | -53.3 | 0 | 0 | 0 | 0 | 111.2 | C403 C425 | C403-C405 VanDerWaalsContact C-N 3.29Å; C403-C405 PolarHBondContact O-N 3.01Å; C405-C425 WeakPolarHBondContact CA-SG 3.35Å; C405-C425 HydrophobicContact CB-CB 3.96Å; C405-C425 WeakPolarHBondContact CB-SG 3.46Å; C405-C425 WeakPolarHBondContact SG-CB 3.41Å; C405-C425 CovalentContact SG-SG 2.04Å; C405-C425 PolarHBondContact SG-SG 3.47Å | ||
| 406 | P | 67.3 | Low | 74.5 | Confident | 68 Ų | 68 | 55 Ų | 55 | 44% | 0.442 | 29% | 0.288 | S | S | . | . | trans | -58.5 | 140.5 | 179.4 | -20.1 | 30.4 | 0 | 0 | 0 | 112 | Q408 E409 | P406-Q408 VanDerWaalsContact C-N 3.33Å; P406-Q408 PolarHBondContact O-N 3.02Å; P406-E409 HydrophobicContact CB-CB 4.18Å; P406-E409 WeakPolarHBondContact O-CB 3.34Å; P406-E409 PolarHBondContact O-N 3.49Å | ||
| 407 | T | 61.3 | Low | 75.1 | Confident | 150 Ų | 150 | 55 Ų | 55 | 92% | 0.92 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -28.9 | 179.6 | 48.9 | 0 | 0 | 0 | 0 | 113.2 | ||
| 408 | Q | 58.4 | Low | 75.6 | Confident | 116 Ų | 116 | 60.8 Ų | 60.8 | 54% | 0.542 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | 36 | 175.6 | -66.8 | -176.9 | -13.1 | 0 | 0 | 111.7 | P406 | P406-Q408 VanDerWaalsContact C-N 3.33Å; P406-Q408 PolarHBondContact O-N 3.02Å |
| 409 | E | 61.9 | Low | 76 | Confident | 19 Ų | 19 | 55.7 Ų | 55.7 | 9% | 0.089 | 30% | 0.298 | C | S | . | . | trans | -64.8 | 138.2 | 175.3 | -162.2 | 178.7 | -176.1 | 0 | 0 | 110.5 | P406 F411 F422 S423 H426 | P406-E409 HydrophobicContact CB-CB 4.18Å; P406-E409 WeakPolarHBondContact O-CB 3.34Å; P406-E409 PolarHBondContact O-N 3.49Å; E409-F411 PolarHBondContact O-N 3.3Å; E409-F422 HydrophobicContact CB-CE1 4.38Å; E409-S423 VanDerWaalsContact CD-OG 3.24Å; E409-S423 WeakPolarHBondContact OE1-CB 3.49Å; E409-S423 PolarHBondContact OE1-OG 3.38Å; E409-S423 WeakPolarHBondContact OE2-CB 3.5Å; E409-S423 PolarHBondContact OE2-OG 2.76Å; E409-H426 IonicContact OE2-CE1 3.62Å; E409-H426 IonicContact OE2-ND1 3.21Å | ||
| 410 | K | 62.8 | Low | 76.2 | Confident | 71 Ų | 71 | 53.4 Ų | 53.4 | 31% | 0.309 | 28% | 0.282 | S | S | . | . | trans | -60.8 | 136 | 172 | -173.3 | 175.8 | 179.9 | 179 | 0 | 109.1 | L412 | K410-L412 PolarHBondContact O-N 2.99Å; K410-L412 VanDerWaalsContact O-N 3.1Å | ||
| 411 | F | 71 | Confident | 76.4 | Confident | 26 Ų | 26 | 53.5 Ų | 53.5 | 11% | 0.114 | 28% | 0.282 | C | S | . | . | trans | -63.2 | 114.3 | 175.8 | -176.3 | -108.5 | 0 | 0 | 0 | 110.7 | L387 E409 P413 F422 F454 V541 | L387-F411 HydrophobicContact CD1-CE2 4.02Å; L387-F411 HydrophobicContact CD1-CZ 4.27Å; L387-F411 HydrophobicContact CD2-CE2 4.11Å; L387-F411 HydrophobicContact CD2-CZ 4.1Å; E409-F411 PolarHBondContact O-N 3.3Å; F411-P413 HydrophobicContact CD1-CG 4.2Å; F411-P413 HydrophobicContact CE1-CB 4.02Å; F411-P413 HydrophobicContact CE1-CG 3.68Å; F411-P413 HydrophobicContact CZ-CB 3.94Å; F411-P413 HydrophobicContact CZ-CG 4.13Å; F411-F422 HydrophobicContact CB-CE2 4.41Å; F411-F422 HydrophobicContact CB-CZ 4.16Å; F411-F422 HydrophobicContact CD2-CD1 4.37Å; F411-F422 AromaticContact CD2-CD2 3.46Å; F411-F422 HydrophobicContact CD2-CD2 3.46Å; F411-F422 VanDerWaalsContact CD2-CD2 3.46Å; F411-F422 HydrophobicContact CD2-CE1 4.39Å; F411-F422 AromaticContact CD2-CE2 3.51Å; F411-F422 HydrophobicContact CD2-CE2 3.51Å; F411-F422 AromaticContact CD2-CG 3.91Å; F411-F422 HydrophobicContact CD2-CG 3.91Å; F411-F422 AromaticContact CD2-CZ 3.98Å; F411-F422 HydrophobicContact CD2-CZ 3.98Å; F411-F422 AromaticContact CE2-CD2 3.82Å; F411-F422 HydrophobicContact CE2-CD2 3.82Å; F411-F422 HydrophobicContact CE2-CE2 4.25Å; F411-F422 HydrophobicContact CE2-CG 4.29Å; F411-F422 HydrophobicContact CG-CE2 4.43Å; F411-F454 AromaticContact CE1-CE1 3.86Å; F411-F454 HydrophobicContact CE1-CE1 3.86Å; F411-F454 AromaticContact CE1-CZ 3.77Å; F411-F454 HydrophobicContact CE1-CZ 3.77Å; F411-F454 AromaticContact CZ-CE1 3.85Å; F411-F454 HydrophobicContact CZ-CE1 3.85Å; F411-F454 HydrophobicContact CZ-CZ 4.2Å; F411-V541 HydrophobicContact CB-CG1 3.61Å; F411-V541 HydrophobicContact CB-CG2 4.5Å; F411-V541 HydrophobicContact CD1-CG1 3.03Å; F411-V541 HydrophobicContact CD2-CG1 3.97Å; F411-V541 HydrophobicContact CE1-CG1 3.51Å; F411-V541 HydrophobicContact CE2-CG1 4.36Å; F411-V541 HydrophobicContact CG-CG1 3.27Å; F411-V541 HydrophobicContact CZ-CG1 4.14Å | ||
| 412 | L | 74.5 | Confident | 76.5 | Confident | 27 Ų | 27 | 49.3 Ų | 49.3 | 14% | 0.141 | 26% | 0.264 | C | S | . | . | trans | -134.5 | 73.9 | -175.6 | -72.1 | 171.8 | 0 | 0 | 0 | 108.9 | Y123 Y218 K410 V414 F422 S423 | Y123-L412 HydrophobicContact CD1-CD1 4.39Å; Y218-L412 HydrophobicContact CD1-CD2 3.7Å; Y218-L412 HydrophobicContact CE1-CD2 4.07Å; Y218-L412 HydrophobicContact CG-CD2 4Å; K410-L412 PolarHBondContact O-N 2.99Å; K410-L412 VanDerWaalsContact O-N 3.1Å; L412-V414 PolarHBondContact O-N 3.31Å; L412-F422 CarbonylContact C-O 3.5Å; L412-F422 VanDerWaalsContact C-O 3.25Å; L412-F422 PolarHBondContact N-O 3.46Å; L412-F422 VanDerWaalsContact N-O 3.08Å; L412-S423 VanDerWaalsContact O-CA 3.26Å; L412-S423 WeakPolarHBondContact O-CA 3.35Å | ||
| 413 | P | 79.6 | Confident | 76.7 | Confident | 9 Ų | 9 | 43.7 Ų | 43.7 | 6% | 0.058 | 24% | 0.238 | C | C | . | . | trans | -63.3 | 141 | -168.1 | 26.3 | -34.2 | 0 | 0 | 0 | 111.6 | F411 T420 Y421 G453 F454 | F411-P413 HydrophobicContact CD1-CG 4.2Å; F411-P413 HydrophobicContact CE1-CB 4.02Å; F411-P413 HydrophobicContact CE1-CG 3.68Å; F411-P413 HydrophobicContact CZ-CB 3.94Å; F411-P413 HydrophobicContact CZ-CG 4.13Å; P413-T420 HydrophobicContact CB-CG2 3.78Å; P413-Y421 VanDerWaalsContact CA-O 3.26Å; P413-Y421 WeakPolarHBondContact CA-O 3.49Å; P413-G453 CarbonylContact C-O 3.59Å; P413-G453 WeakPolarHBondContact O-CA 3.33Å; P413-G453 PolarHBondContact O-N 3.35Å; P413-F454 HydrophobicContact CB-CD1 3.89Å; P413-F454 HydrophobicContact CB-CE1 3.66Å; P413-F454 HydrophobicContact CB-CZ 4.45Å; P413-F454 HydrophobicContact CG-CD1 4.08Å; P413-F454 HydrophobicContact CG-CE1 3.66Å; P413-F454 HydrophobicContact CG-CZ 3.96Å | ||
| 414 | V | 84.2 | Confident | 77.1 | Confident | 3 Ų | 3 | 43.6 Ų | 43.6 | 2% | 0.018 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 146.9 | 172.3 | -61.1 | 0 | 0 | 0 | 0 | 110.4 | L412 T420 Y421 A424 A427 W438 A450 E451 G453 | L412-V414 PolarHBondContact O-N 3.31Å; V414-T420 CarbonylContact O-C 3.55Å; V414-T420 WeakPolarHBondContact O-CA 3.33Å; V414-Y421 PolarHBondContact N-O 2.79Å; V414-Y421 PolarHBondContact O-N 3.21Å; V414-A424 HydrophobicContact CG1-CB 4.17Å; V414-A427 HydrophobicContact CG2-CB 3.68Å; V414-W438 HydrophobicContact CG1-CG 4.42Å; V414-A450 HydrophobicContact CB-CB 3.95Å; V414-A450 HydrophobicContact CG2-CB 4.05Å; V414-E451 CarbonylContact C-O 3.23Å; V414-E451 VanDerWaalsContact CA-O 3.26Å; V414-E451 WeakPolarHBondContact CA-O 3.23Å; V414-G453 CarbonylContact C-O 3.49Å |
| 415 | C | 87.1 | Confident | 77.5 | Confident | 9 Ų | 9 | 39.3 Ų | 39.3 | 6% | 0.061 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 126.4 | -176.6 | 174.1 | 0 | 0 | 0 | 0 | 111.6 | G417 R419 A450 E451 G453 C455 | C415-G417 PolarHBondContact O-N 3.48Å; C415-G417 VanDerWaalsContact SG-CA 3.58Å; C415-G417 PolarHBondContact SG-N 3.44Å; C415-R419 WeakPolarHBondContact CA-O 3.2Å; C415-A450 CarbonylContact O-C 3.46Å; C415-A450 WeakPolarHBondContact O-CA 3.22Å; C415-E451 PolarHBondContact N-O 3.19Å; C415-E451 PolarHBondContact O-N 2.99Å; C415-G453 PolarHBondContact N-O 3.19Å; C415-C455 VanDerWaalsContact CA-SG 3.6Å; C415-C455 HydrophobicContact CB-CB 4.03Å; C415-C455 WeakPolarHBondContact CB-SG 3.42Å; C415-C455 WeakPolarHBondContact SG-CA 3.44Å; C415-C455 WeakPolarHBondContact SG-CB 3.28Å; C415-C455 CovalentContact SG-SG 2.02Å; C415-C455 PolarHBondContact SG-SG 2.97Å |
| 416 | D | 88.8 | Confident | 77.9 | Confident | 3 Ų | 3 | 39.2 Ų | 39.2 | 2% | 0.016 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -85 | 13.4 | 173.7 | 75.9 | -8.5 | 0 | 0 | 0 | 114.3 | K418 R419 Y421 A444 E445 Y446 S447 | D416-K418 PolarHBondContact OD1-N 2.92Å; D416-K418 VanDerWaalsContact OD1-N 3.07Å; D416-R419 PolarHBondContact N-O 3.24Å; D416-R419 VanDerWaalsContact N-O 3.11Å; D416-R419 PolarHBondContact OD1-N 2.98Å; D416-Y421 HydrophobicContact CB-CE2 4.2Å; D416-A444 HydrophobicContact CB-CB 3.72Å; D416-E445 PolarHBondContact OD2-N 3.39Å; D416-E445 VanDerWaalsContact OD2-N 3.12Å; D416-Y446 WeakPolarHBondContact OD2-CD2 3.47Å; D416-Y446 PolarHBondContact OD2-N 3.04Å; D416-Y446 VanDerWaalsContact OD2-N 3.12Å; D416-S447 WeakPolarHBondContact O-CB 3.3Å |
| 417 | G | 83.7 | Confident | 78.9 | Confident | 59 Ų | 59 | 36 Ų | 36 | 61% | 0.608 | 19% | 0.192 | S | C | * | . | S | Bend | trans | 101.9 | -24.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | C415 | C415-G417 PolarHBondContact O-N 3.48Å; C415-G417 VanDerWaalsContact SG-CA 3.58Å; C415-G417 PolarHBondContact SG-N 3.44Å |
| 418 | K | 83.4 | Confident | 80.2 | Confident | 141 Ų | 141 | 28.8 Ų | 28.8 | 61% | 0.613 | 15% | 0.148 | S | C | * | . | S | Bend | trans | -137.8 | -30 | 176.2 | -68.4 | -173.2 | -176.8 | 176.1 | 0 | 114.7 | D416 Y446 | D416-K418 PolarHBondContact OD1-N 2.92Å; D416-K418 VanDerWaalsContact OD1-N 3.07Å; K418-Y446 HydrophobicContact CB-CD2 3.74Å; K418-Y446 HydrophobicContact CB-CE2 3.87Å; K418-Y446 HydrophobicContact CB-CG 4.08Å; K418-Y446 HydrophobicContact CD-CD1 3.82Å; K418-Y446 HydrophobicContact CD-CD2 4.44Å; K418-Y446 HydrophobicContact CD-CE1 3.73Å; K418-Y446 HydrophobicContact CD-CE2 4.37Å; K418-Y446 HydrophobicContact CD-CG 4.15Å; K418-Y446 HydrophobicContact CG-CD1 4.49Å; K418-Y446 HydrophobicContact CG-CD2 4.48Å; K418-Y446 HydrophobicContact CG-CG 4.35Å |
| 419 | R | 85.2 | Confident | 81.6 | Confident | 57 Ų | 57 | 23.3 Ų | 23.3 | 22% | 0.215 | 12% | 0.122 | C | C | . | . | trans | -112.9 | 135.3 | 179.4 | -74.9 | 179 | -178.9 | 165.2 | 16.7 | 111 | C415 D416 Y421 E445 Y446 C455 | C415-R419 WeakPolarHBondContact CA-O 3.2Å; D416-R419 PolarHBondContact N-O 3.24Å; D416-R419 VanDerWaalsContact N-O 3.11Å; D416-R419 PolarHBondContact OD1-N 2.98Å; R419-Y421 HydrophobicContact CB-CE2 3.96Å; R419-E445 IonicContact CZ-OE2 3.15Å; R419-E445 IonicContact NH1-OE2 3.85Å; R419-E445 PolarHBondContact NH1-OE2 3.35Å; R419-E445 IonicContact NH2-OE1 3.54Å; R419-E445 IonicContact NH2-OE2 2.8Å; R419-E445 PolarHBondContact NH2-OE2 2.86Å; R419-Y446 HydrophobicContact CG-CD2 4.24Å; R419-Y446 HydrophobicContact CG-CE2 3.79Å; R419-C455 PolarHBondContact N-SG 3.26Å; R419-C455 VanDerWaalsContact N-SG 3.39Å; R419-C455 PolarHBondContact O-SG 3.36Å | ||
| 420 | T | 85.9 | Confident | 82.6 | Confident | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.006 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 129.4 | 174.1 | -54 | 0 | 0 | 0 | 0 | 109.6 | L387 F388 P413 V414 F454 C455 | L387-T420 WeakPolarHBondContact CA-O 3.37Å; L387-T420 HydrophobicContact CD2-CG2 3.71Å; F388-T420 PolarHBondContact N-O 2.99Å; P413-T420 HydrophobicContact CB-CG2 3.78Å; V414-T420 CarbonylContact O-C 3.55Å; V414-T420 WeakPolarHBondContact O-CA 3.33Å; T420-F454 HydrophobicContact CG2-CD1 3.68Å; T420-F454 HydrophobicContact CG2-CE1 4.27Å; T420-C455 PolarHBondContact OG1-N 3.29Å |
| 421 | Y | 85.5 | Confident | 83.4 | Confident | 3 Ų | 3 | 26.5 Ų | 26.5 | 1% | 0.012 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 156.4 | 175.1 | -64.4 | -100.7 | 0 | 0 | 0 | 110.5 | F388 P413 V414 D416 R419 A427 C443 A444 | F388-Y421 HydrophobicContact CB-CD1 4.18Å; F388-Y421 HydrophobicContact CB-CE1 4.16Å; F388-Y421 AromaticContact CD1-CD1 3.81Å; F388-Y421 HydrophobicContact CD1-CD1 3.81Å; F388-Y421 AromaticContact CD1-CE1 3.34Å; F388-Y421 HydrophobicContact CD1-CE1 3.34Å; F388-Y421 AromaticContact CE1-CE1 3.86Å; F388-Y421 HydrophobicContact CE1-CE1 3.86Å; F388-Y421 HydrophobicContact CG-CD1 4.34Å; F388-Y421 AromaticContact CG-CE1 3.91Å; F388-Y421 HydrophobicContact CG-CE1 3.91Å; P413-Y421 VanDerWaalsContact CA-O 3.26Å; P413-Y421 WeakPolarHBondContact CA-O 3.49Å; V414-Y421 PolarHBondContact N-O 2.79Å; V414-Y421 PolarHBondContact O-N 3.21Å; D416-Y421 HydrophobicContact CB-CE2 4.2Å; R419-Y421 HydrophobicContact CB-CE2 3.96Å; Y421-A427 HydrophobicContact CD1-CB 4.04Å; Y421-A427 HydrophobicContact CD2-CB 4.02Å; Y421-A427 HydrophobicContact CG-CB 3.73Å; Y421-C443 PolarHBondContact OH-O 2.85Å; Y421-A444 WeakPolarHBondContact OH-CA 3.46Å |
| 422 | F | 80.4 | Confident | 83.5 | Confident | 37 Ų | 37 | 28.5 Ų | 28.5 | 16% | 0.162 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -64.2 | -41.2 | -178.1 | -178 | -81.2 | 0 | 0 | 0 | 113.5 | F395 E409 F411 L412 H426 | F395-F422 HydrophobicContact CB-CB 4.1Å; F395-F422 HydrophobicContact CD1-CB 3.91Å; F395-F422 HydrophobicContact CD1-CD2 4.23Å; F395-F422 HydrophobicContact CD1-CG 4.45Å; F395-F422 HydrophobicContact CD2-CB 4.28Å; F395-F422 AromaticContact CD2-CD2 3.58Å; F395-F422 HydrophobicContact CD2-CD2 3.58Å; F395-F422 HydrophobicContact CD2-CE2 4.13Å; F395-F422 HydrophobicContact CD2-CG 4.03Å; F395-F422 HydrophobicContact CE1-CB 4.42Å; F395-F422 HydrophobicContact CE1-CD2 4.11Å; F395-F422 AromaticContact CE2-CD2 3.45Å; F395-F422 HydrophobicContact CE2-CD2 3.45Å; F395-F422 VanDerWaalsContact CE2-CD2 3.45Å; F395-F422 AromaticContact CE2-CE2 3.8Å; F395-F422 HydrophobicContact CE2-CE2 3.8Å; F395-F422 HydrophobicContact CE2-CG 4.33Å; F395-F422 HydrophobicContact CG-CB 3.83Å; F395-F422 AromaticContact CG-CD2 3.99Å; F395-F422 HydrophobicContact CG-CD2 3.99Å; F395-F422 HydrophobicContact CG-CG 4.09Å; F395-F422 AromaticContact CZ-CD2 3.73Å; F395-F422 HydrophobicContact CZ-CD2 3.73Å; F395-F422 HydrophobicContact CZ-CE2 4.32Å; E409-F422 HydrophobicContact CB-CE1 4.38Å; F411-F422 HydrophobicContact CB-CE2 4.41Å; F411-F422 HydrophobicContact CB-CZ 4.16Å; F411-F422 HydrophobicContact CD2-CD1 4.37Å; F411-F422 AromaticContact CD2-CD2 3.46Å; F411-F422 HydrophobicContact CD2-CD2 3.46Å; F411-F422 VanDerWaalsContact CD2-CD2 3.46Å; F411-F422 HydrophobicContact CD2-CE1 4.39Å; F411-F422 AromaticContact CD2-CE2 3.51Å; F411-F422 HydrophobicContact CD2-CE2 3.51Å; F411-F422 AromaticContact CD2-CG 3.91Å; F411-F422 HydrophobicContact CD2-CG 3.91Å; F411-F422 AromaticContact CD2-CZ 3.98Å; F411-F422 HydrophobicContact CD2-CZ 3.98Å; F411-F422 AromaticContact CE2-CD2 3.82Å; F411-F422 HydrophobicContact CE2-CD2 3.82Å; F411-F422 HydrophobicContact CE2-CE2 4.25Å; F411-F422 HydrophobicContact CE2-CG 4.29Å; F411-F422 HydrophobicContact CG-CE2 4.43Å; L412-F422 CarbonylContact C-O 3.5Å; L412-F422 VanDerWaalsContact C-O 3.25Å; L412-F422 PolarHBondContact N-O 3.46Å; L412-F422 VanDerWaalsContact N-O 3.08Å; F422-H426 HydrophobicContact CB-CB 4.45Å; F422-H426 AromaticContact CD1-CE1 3.71Å; F422-H426 AromaticContact CD1-ND1 3.67Å |
| 423 | S | 82.3 | Confident | 83.6 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -147.5 | 167.4 | 174.4 | 72.7 | 0 | 0 | 0 | 0 | 110.8 | E409 L412 C425 H426 A427 | E409-S423 VanDerWaalsContact CD-OG 3.24Å; E409-S423 WeakPolarHBondContact OE1-CB 3.49Å; E409-S423 PolarHBondContact OE1-OG 3.38Å; E409-S423 WeakPolarHBondContact OE2-CB 3.5Å; E409-S423 PolarHBondContact OE2-OG 2.76Å; L412-S423 VanDerWaalsContact O-CA 3.26Å; L412-S423 WeakPolarHBondContact O-CA 3.35Å; S423-C425 PolarHBondContact O-N 3.35Å; S423-C425 PolarHBondContact OG-N 3.37Å; S423-H426 PolarHBondContact O-N 3.13Å; S423-H426 VanDerWaalsContact O-N 3.1Å; S423-H426 PolarHBondContact OG-N 2.88Å; S423-H426 PolarHBondContact OG-ND1 2.92Å; S423-A427 PolarHBondContact O-N 2.96Å; S423-A427 VanDerWaalsContact O-N 3.12Å |
| 424 | A | 84.6 | Confident | 83 | Confident | 5 Ų | 5 | 34.4 Ų | 34.4 | 4% | 0.041 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -34 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | V414 A427 G428 C429 W438 | V414-A424 HydrophobicContact CG1-CB 4.17Å; A424-A427 CarbonylContact O-C 3.42Å; A424-A427 PolarHBondContact O-N 3.23Å; A424-G428 PolarHBondContact O-N 2.92Å; A424-G428 VanDerWaalsContact O-N 3.15Å; A424-C429 HydrophobicContact CB-CB 4.33Å; A424-C429 PolarHBondContact O-N 3.07Å; A424-W438 HydrophobicContact CB-CD2 3.31Å; A424-W438 VanDerWaalsContact CB-CE2 3.47Å; A424-W438 HydrophobicContact CB-CE3 3.47Å; A424-W438 VanDerWaalsContact CB-CE3 3.47Å; A424-W438 HydrophobicContact CB-CG 3.86Å; A424-W438 HydrophobicContact CB-CH2 3.91Å; A424-W438 HydrophobicContact CB-CZ2 3.78Å; A424-W438 HydrophobicContact CB-CZ3 3.76Å |
| 425 | C | 83.2 | Confident | 82.2 | Confident | 5 Ų | 5 | 40.1 Ų | 40.1 | 3% | 0.034 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -43.5 | 173.1 | -173.1 | 0 | 0 | 0 | 0 | 111.8 | C405 S423 A427 G428 | C405-C425 WeakPolarHBondContact CA-SG 3.35Å; C405-C425 HydrophobicContact CB-CB 3.96Å; C405-C425 WeakPolarHBondContact CB-SG 3.46Å; C405-C425 WeakPolarHBondContact SG-CB 3.41Å; C405-C425 CovalentContact SG-SG 2.04Å; C405-C425 PolarHBondContact SG-SG 3.47Å; S423-C425 PolarHBondContact O-N 3.35Å; S423-C425 PolarHBondContact OG-N 3.37Å; C425-A427 VanDerWaalsContact C-N 3.29Å; C425-A427 PolarHBondContact O-N 3.47Å; C425-G428 WeakPolarHBondContact O-CA 3.39Å; C425-G428 PolarHBondContact O-N 3.35Å |
| 426 | H | 85.5 | Confident | 81.5 | Confident | 14 Ų | 14 | 39.8 Ų | 39.8 | 7% | 0.065 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -27.3 | 177 | -68.3 | 92.1 | 0 | 0 | 0 | 113.4 | F395 E409 F422 S423 G428 | F395-H426 VanDerWaalsContact C-CD2 3.47Å; F395-H426 WeakPolarHBondContact CB-CD2 3.2Å; F395-H426 PolarHBondContact O-CD2 3.37Å; E409-H426 IonicContact OE2-CE1 3.62Å; E409-H426 IonicContact OE2-ND1 3.21Å; F422-H426 HydrophobicContact CB-CB 4.45Å; F422-H426 AromaticContact CD1-CE1 3.71Å; F422-H426 AromaticContact CD1-ND1 3.67Å; S423-H426 PolarHBondContact O-N 3.13Å; S423-H426 VanDerWaalsContact O-N 3.1Å; S423-H426 PolarHBondContact OG-N 2.88Å; S423-H426 PolarHBondContact OG-ND1 2.92Å; H426-G428 VanDerWaalsContact C-N 3.26Å |
| 427 | A | 87.8 | Confident | 81.2 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -6.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | V414 Y421 S423 A424 C425 C429 C443 A444 | V414-A427 HydrophobicContact CG2-CB 3.68Å; Y421-A427 HydrophobicContact CD1-CB 4.04Å; Y421-A427 HydrophobicContact CD2-CB 4.02Å; Y421-A427 HydrophobicContact CG-CB 3.73Å; S423-A427 PolarHBondContact O-N 2.96Å; S423-A427 VanDerWaalsContact O-N 3.12Å; A424-A427 CarbonylContact O-C 3.42Å; A424-A427 PolarHBondContact O-N 3.23Å; C425-A427 VanDerWaalsContact C-N 3.29Å; C425-A427 PolarHBondContact O-N 3.47Å; A427-C429 VanDerWaalsContact C-N 3.34Å; A427-C429 VanDerWaalsContact CB-SG 3.59Å; A427-C443 WeakPolarHBondContact O-CA 3.25Å; A427-C443 WeakPolarHBondContact O-CB 3.31Å; A427-C443 PolarHBondContact O-N 3.29Å; A427-A444 PolarHBondContact O-N 2.74Å |
| 428 | G | 87.6 | Confident | 81.2 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.6 | 24 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | A424 C425 H426 K442 | A424-G428 PolarHBondContact O-N 2.92Å; A424-G428 VanDerWaalsContact O-N 3.15Å; C425-G428 WeakPolarHBondContact O-CA 3.39Å; C425-G428 PolarHBondContact O-N 3.35Å; H426-G428 VanDerWaalsContact C-N 3.26Å; G428-K442 PolarHBondContact O-N 3.23Å; G428-K442 VanDerWaalsContact O-N 3.08Å |
| 429 | C | 88 | Confident | 81.4 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | trans | -81 | 136.7 | -177.5 | -50.7 | 0 | 0 | 0 | 0 | 111.5 | G124 C125 A424 A427 W438 C441 | G124-C429 CarbonylContact C-O 3.49Å; G124-C429 WeakPolarHBondContact CA-O 3.5Å; C125-C429 PolarHBondContact N-O 3.43Å; A424-C429 HydrophobicContact CB-CB 4.33Å; A424-C429 PolarHBondContact O-N 3.07Å; A427-C429 VanDerWaalsContact C-N 3.34Å; A427-C429 VanDerWaalsContact CB-SG 3.59Å; C429-W438 HydrophobicContact CB-CB 3.73Å; C429-W438 HydrophobicContact CB-CD2 4.48Å; C429-W438 HydrophobicContact CB-CE3 4.05Å; C429-W438 HydrophobicContact CB-CG 4.4Å; C429-C441 HydrophobicContact CB-CB 4.07Å; C429-C441 WeakPolarHBondContact CB-SG 3.19Å; C429-C441 WeakPolarHBondContact SG-CB 3.39Å; C429-C441 CovalentContact SG-SG 2.03Å; C429-C441 PolarHBondContact SG-SG 2.92Å | ||
| 430 | S | 83.4 | Confident | 81.4 | Confident | 31 Ų | 31 | 36.9 Ų | 36.9 | 22% | 0.217 | 19% | 0.194 | C | C | . | . | trans | -99.3 | -30.1 | -176.3 | -57.2 | 0 | 0 | 0 | 0 | 114.3 | L439 | S430-L439 PolarHBondContact N-O 3.46Å; S430-L439 VanDerWaalsContact N-O 3.13Å | ||
| 431 | F | 80 | Confident | 81.6 | Confident | 126 Ų | 126 | 37 Ų | 37 | 55% | 0.553 | 20% | 0.195 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 138.9 | -172.5 | -53.3 | -77.6 | 0 | 0 | 0 | 110.7 | W438 L439 N440 | F431-W438 CarbonylContact O-C 3.6Å; F431-W438 WeakPolarHBondContact O-CA 3.49Å; F431-L439 HydrophobicContact CB-CB 4.38Å; F431-L439 PolarHBondContact N-O 2.98Å; F431-L439 PolarHBondContact O-N 3.32Å; F431-N440 HydrophobicContact CD2-CB 4.16Å; F431-N440 HydrophobicContact CE2-CB 4.48Å |
| 432 | E | 73.5 | Confident | 81.7 | Confident | 68 Ų | 68 | 42.5 Ų | 42.5 | 32% | 0.318 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 127.3 | 166.6 | -167 | -177.5 | 167.7 | 0 | 0 | 108.6 | H118 W438 | H118-E432 IonicContact CD2-OE2 3.64Å; H118-E432 PolarHBondContact CD2-OE2 3.02Å; H118-E432 IonicContact NE2-OE2 3.71Å; E432-W438 HydrophobicContact CB-CD2 4.26Å; E432-W438 HydrophobicContact CB-CE3 4.06Å; E432-W438 HydrophobicContact CB-CH2 4.02Å; E432-W438 HydrophobicContact CB-CZ2 4.2Å; E432-W438 HydrophobicContact CB-CZ3 3.96Å; E432-W438 HydrophobicContact CG-CD2 4.32Å; E432-W438 HydrophobicContact CG-CH2 4.39Å; E432-W438 HydrophobicContact CG-CZ2 4.07Å |
| 433 | A | 75.5 | Confident | 82 | Confident | 28 Ų | 28 | 41.5 Ų | 41.5 | 23% | 0.231 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 157.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | N435 N436 T437 L439 | A433-N435 PolarHBondContact O-N 2.99Å; A433-N436 PolarHBondContact O-N 2.92Å; A433-T437 WeakPolarHBondContact CA-O 3.36Å; A433-T437 WeakPolarHBondContact CB-O 3.28Å; A433-T437 PolarHBondContact N-O 2.8Å; A433-L439 HydrophobicContact CB-CD1 3.76Å; A433-L439 HydrophobicContact CB-CD2 4.45Å; A433-L439 HydrophobicContact CB-CG 3.91Å |
| 434 | D | 66.7 | Low | 82.3 | Confident | 133 Ų | 133 | 42.2 Ų | 42.2 | 71% | 0.711 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -49.4 | -36.8 | -173.7 | -84.2 | -47 | 0 | 0 | 0 | 113.1 | K213 N436 | K213-D434 WeakPolarHBondContact CD-O 3.31Å; K213-D434 WeakPolarHBondContact CE-O 3.08Å; K213-D434 VanDerWaalsContact NZ-C 3.35Å; K213-D434 PolarHBondContact NZ-O 3.48Å; K213-D434 IonicContact NZ-OD1 3.78Å; D434-N436 PolarHBondContact O-N 3.47Å |
| 435 | N | 67.9 | Low | 82.4 | Confident | 122 Ų | 122 | 47.9 Ų | 47.9 | 65% | 0.652 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | 30.5 | -172.6 | -80.6 | -3.3 | 0 | 0 | 0 | 116.7 | A433 T437 | A433-N435 PolarHBondContact O-N 2.99Å; N435-T437 HydrophobicContact CB-CG2 4.28Å; N435-T437 PolarHBondContact O-N 2.79Å |
| 436 | N | 73 | Confident | 82.5 | Confident | 3 Ų | 3 | 52.7 Ų | 52.7 | 2% | 0.016 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | 37.4 | -170.9 | -62.4 | -5.4 | 0 | 0 | 0 | 111 | K213 S215 A433 D434 E452 | K213-N436 VanDerWaalsContact CB-ND2 3.28Å; K213-N436 WeakPolarHBondContact CB-ND2 3.46Å; K213-N436 WeakPolarHBondContact CB-OD1 3.32Å; S215-N436 PolarHBondContact OG-ND2 3.22Å; S215-N436 VanDerWaalsContact OG-ND2 3.1Å; A433-N436 PolarHBondContact O-N 2.92Å; D434-N436 PolarHBondContact O-N 3.47Å; N436-E452 HydrophobicContact CB-CB 4.13Å; N436-E452 HydrophobicContact CB-CG 3.96Å; N436-E452 WeakPolarHBondContact O-CG 3.49Å; N436-E452 PolarHBondContact O-N 3.31Å |
| 437 | T | 81.8 | Confident | 82.6 | Confident | 32 Ų | 32 | 53.9 Ų | 53.9 | 20% | 0.196 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 126.8 | -176.8 | 49.3 | 0 | 0 | 0 | 0 | 108.6 | A433 N435 A450 E451 | A433-T437 WeakPolarHBondContact CA-O 3.36Å; A433-T437 WeakPolarHBondContact CB-O 3.28Å; A433-T437 PolarHBondContact N-O 2.8Å; N435-T437 HydrophobicContact CB-CG2 4.28Å; N435-T437 PolarHBondContact O-N 2.79Å; T437-A450 CarbonylContact C-O 3.54Å; T437-A450 WeakPolarHBondContact CA-O 3.25Å; T437-E451 HydrophobicContact CG2-CG 4.27Å |
| 438 | W | 84.7 | Confident | 82.6 | Confident | 18 Ų | 18 | 58.9 Ų | 58.9 | 7% | 0.068 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 135.3 | 173.3 | -67.7 | 84.1 | 0 | 0 | 0 | 109.8 | V414 A424 C429 F431 E432 T449 A450 | V414-W438 HydrophobicContact CG1-CG 4.42Å; A424-W438 HydrophobicContact CB-CD2 3.31Å; A424-W438 VanDerWaalsContact CB-CE2 3.47Å; A424-W438 HydrophobicContact CB-CE3 3.47Å; A424-W438 VanDerWaalsContact CB-CE3 3.47Å; A424-W438 HydrophobicContact CB-CG 3.86Å; A424-W438 HydrophobicContact CB-CH2 3.91Å; A424-W438 HydrophobicContact CB-CZ2 3.78Å; A424-W438 HydrophobicContact CB-CZ3 3.76Å; C429-W438 HydrophobicContact CB-CB 3.73Å; C429-W438 HydrophobicContact CB-CD2 4.48Å; C429-W438 HydrophobicContact CB-CE3 4.05Å; C429-W438 HydrophobicContact CB-CG 4.4Å; F431-W438 CarbonylContact O-C 3.6Å; F431-W438 WeakPolarHBondContact O-CA 3.49Å; E432-W438 HydrophobicContact CB-CD2 4.26Å; E432-W438 HydrophobicContact CB-CE3 4.06Å; E432-W438 HydrophobicContact CB-CH2 4.02Å; E432-W438 HydrophobicContact CB-CZ2 4.2Å; E432-W438 HydrophobicContact CB-CZ3 3.96Å; E432-W438 HydrophobicContact CG-CD2 4.32Å; E432-W438 HydrophobicContact CG-CH2 4.39Å; E432-W438 HydrophobicContact CG-CZ2 4.07Å; W438-T449 CarbonylContact O-C 3.5Å; W438-T449 WeakPolarHBondContact O-CA 3.17Å; W438-T449 WeakPolarHBondContact O-CB 3.49Å; W438-A450 HydrophobicContact CB-CB 4.41Å; W438-A450 PolarHBondContact N-O 3.2Å; W438-A450 PolarHBondContact O-N 3.42Å |
| 439 | L | 86.1 | Confident | 82.6 | Confident | 69 Ų | 69 | 61.5 Ų | 61.5 | 36% | 0.361 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 157.6 | -178.7 | -57 | 180 | 0 | 0 | 0 | 110.8 | S430 F431 A433 T449 | S430-L439 PolarHBondContact N-O 3.46Å; S430-L439 VanDerWaalsContact N-O 3.13Å; F431-L439 HydrophobicContact CB-CB 4.38Å; F431-L439 PolarHBondContact N-O 2.98Å; F431-L439 PolarHBondContact O-N 3.32Å; A433-L439 HydrophobicContact CB-CD1 3.76Å; A433-L439 HydrophobicContact CB-CD2 4.45Å; A433-L439 HydrophobicContact CB-CG 3.91Å; L439-T449 HydrophobicContact CD2-CG2 3.46Å; L439-T449 VanDerWaalsContact CD2-CG2 3.46Å |
| 440 | N | 86.8 | Confident | 82.5 | Confident | 79 Ų | 79 | 61.5 Ų | 61.5 | 42% | 0.422 | 32% | 0.322 | S | S | . | . | trans | 60.5 | 42.6 | 175.9 | -159.2 | 28.2 | 0 | 0 | 0 | 112.9 | F431 K442 T448 | F431-N440 HydrophobicContact CD2-CB 4.16Å; F431-N440 HydrophobicContact CE2-CB 4.48Å; N440-K442 PolarHBondContact O-N 3.32Å; N440-T448 PolarHBondContact N-O 2.69Å; N440-T448 VanDerWaalsContact N-O 3.11Å | ||
| 441 | C | 88.9 | Confident | 82.6 | Confident | 4 Ų | 4 | 66.2 Ų | 66.2 | 3% | 0.027 | 34% | 0.341 | C | S | . | . | trans | -76.9 | 98.8 | 178.1 | -54.6 | 0 | 0 | 0 | 0 | 110.5 | C429 C443 A444 T448 | C429-C441 HydrophobicContact CB-CB 4.07Å; C429-C441 WeakPolarHBondContact CB-SG 3.19Å; C429-C441 WeakPolarHBondContact SG-CB 3.39Å; C429-C441 CovalentContact SG-SG 2.03Å; C429-C441 PolarHBondContact SG-SG 2.92Å; C441-C443 VanDerWaalsContact C-N 3.34Å; C441-C443 PolarHBondContact O-N 3.31Å; C441-A444 HydrophobicContact CB-CB 3.69Å; C441-T448 PolarHBondContact N-O 3.04Å | ||
| 442 | K | 88.2 | Confident | 82.6 | Confident | 118 Ų | 118 | 61.3 Ų | 61.3 | 51% | 0.513 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -24.7 | -176.7 | -66.2 | -175.5 | -175.9 | 179.6 | 0 | 114 | E127 G428 N440 | E127-K442 IonicContact OE1-NZ 2.9Å; E127-K442 PolarHBondContact OE1-NZ 3.32Å; G428-K442 PolarHBondContact O-N 3.23Å; G428-K442 VanDerWaalsContact O-N 3.08Å; N440-K442 PolarHBondContact O-N 3.32Å |
| 443 | C | 87.3 | Confident | 82.8 | Confident | 16 Ų | 16 | 58.4 Ų | 58.4 | 11% | 0.108 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | -1.7 | -177.3 | -51 | 0 | 0 | 0 | 0 | 113.2 | C399 Y421 A427 C441 | C399-C443 HydrophobicContact CB-CB 3.84Å; C399-C443 WeakPolarHBondContact CB-SG 3.25Å; C399-C443 WeakPolarHBondContact SG-CA 3.23Å; C399-C443 WeakPolarHBondContact SG-CB 3.1Å; C399-C443 CovalentContact SG-SG 2.05Å; C399-C443 PolarHBondContact SG-SG 3.28Å; Y421-C443 PolarHBondContact OH-O 2.85Å; A427-C443 WeakPolarHBondContact O-CA 3.25Å; A427-C443 WeakPolarHBondContact O-CB 3.31Å; A427-C443 PolarHBondContact O-N 3.29Å; C441-C443 VanDerWaalsContact C-N 3.34Å; C441-C443 PolarHBondContact O-N 3.31Å |
| 444 | A | 87.8 | Confident | 82.9 | Confident | 16 Ų | 16 | 59 Ų | 59 | 13% | 0.132 | 31% | 0.305 | C | S | . | . | trans | -75.8 | 129.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110 | D416 Y421 A427 C441 S447 | D416-A444 HydrophobicContact CB-CB 3.72Å; Y421-A444 WeakPolarHBondContact OH-CA 3.46Å; A427-A444 PolarHBondContact O-N 2.74Å; C441-A444 HydrophobicContact CB-CB 3.69Å; A444-S447 WeakPolarHBondContact CB-O 3.44Å | ||
| 445 | E | 85.8 | Confident | 83.6 | Confident | 123 Ų | 123 | 53.2 Ų | 53.2 | 58% | 0.575 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -88.2 | -35.9 | -175.4 | -173.6 | 176.4 | 142.8 | 0 | 0 | 111.5 | D416 R419 | D416-E445 PolarHBondContact OD2-N 3.39Å; D416-E445 VanDerWaalsContact OD2-N 3.12Å; R419-E445 IonicContact CZ-OE2 3.15Å; R419-E445 IonicContact NH1-OE2 3.85Å; R419-E445 PolarHBondContact NH1-OE2 3.35Å; R419-E445 IonicContact NH2-OE1 3.54Å; R419-E445 IonicContact NH2-OE2 2.8Å; R419-E445 PolarHBondContact NH2-OE2 2.86Å |
| 446 | Y | 86.5 | Confident | 83.9 | Confident | 107 Ų | 107 | 56.8 Ų | 56.8 | 42% | 0.42 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -96.9 | -24.6 | -169.7 | -64.6 | -76.2 | 0 | 0 | 0 | 114.4 | D416 K418 R419 | D416-Y446 WeakPolarHBondContact OD2-CD2 3.47Å; D416-Y446 PolarHBondContact OD2-N 3.04Å; D416-Y446 VanDerWaalsContact OD2-N 3.12Å; K418-Y446 HydrophobicContact CB-CD2 3.74Å; K418-Y446 HydrophobicContact CB-CE2 3.87Å; K418-Y446 HydrophobicContact CB-CG 4.08Å; K418-Y446 HydrophobicContact CD-CD1 3.82Å; K418-Y446 HydrophobicContact CD-CD2 4.44Å; K418-Y446 HydrophobicContact CD-CE1 3.73Å; K418-Y446 HydrophobicContact CD-CE2 4.37Å; K418-Y446 HydrophobicContact CD-CG 4.15Å; K418-Y446 HydrophobicContact CG-CD1 4.49Å; K418-Y446 HydrophobicContact CG-CD2 4.48Å; K418-Y446 HydrophobicContact CG-CG 4.35Å; R419-Y446 HydrophobicContact CG-CD2 4.24Å; R419-Y446 HydrophobicContact CG-CE2 3.79Å |
| 447 | S | 87.5 | Confident | 83.8 | Confident | 39 Ų | 39 | 59.7 Ų | 59.7 | 27% | 0.273 | 30% | 0.303 | S | S | . | . | trans | -149.1 | 146.1 | -179.9 | -178.1 | 0 | 0 | 0 | 0 | 110.1 | D416 A444 T449 | D416-S447 WeakPolarHBondContact O-CB 3.3Å; A444-S447 WeakPolarHBondContact CB-O 3.44Å; S447-T449 VanDerWaalsContact CB-O 3.23Å; S447-T449 WeakPolarHBondContact CB-O 3.08Å; S447-T449 PolarHBondContact O-N 3.03Å; S447-T449 PolarHBondContact OG-N 3.5Å; S447-T449 VanDerWaalsContact OG-N 3.16Å; S447-T449 PolarHBondContact OG-O 3.37Å; S447-T449 PolarHBondContact OG-OG1 3.31Å; S447-T449 VanDerWaalsContact OG-OG1 3.11Å | ||
| 448 | T | 87.2 | Confident | 83.3 | Confident | 105 Ų | 105 | 62.1 Ų | 62.1 | 64% | 0.644 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -77.8 | -3.8 | 171.8 | 54 | 0 | 0 | 0 | 0 | 112.7 | N440 C441 | N440-T448 PolarHBondContact N-O 2.69Å; N440-T448 VanDerWaalsContact N-O 3.11Å; C441-T448 PolarHBondContact N-O 3.04Å |
| 449 | T | 87.4 | Confident | 83.1 | Confident | 54 Ų | 54 | 63.3 Ų | 63.3 | 33% | 0.331 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 144 | 175.3 | 66.1 | 0 | 0 | 0 | 0 | 110 | W438 L439 S447 | W438-T449 CarbonylContact O-C 3.5Å; W438-T449 WeakPolarHBondContact O-CA 3.17Å; W438-T449 WeakPolarHBondContact O-CB 3.49Å; L439-T449 HydrophobicContact CD2-CG2 3.46Å; L439-T449 VanDerWaalsContact CD2-CG2 3.46Å; S447-T449 VanDerWaalsContact CB-O 3.23Å; S447-T449 WeakPolarHBondContact CB-O 3.08Å; S447-T449 PolarHBondContact O-N 3.03Å; S447-T449 PolarHBondContact OG-N 3.5Å; S447-T449 VanDerWaalsContact OG-N 3.16Å; S447-T449 PolarHBondContact OG-O 3.37Å; S447-T449 PolarHBondContact OG-OG1 3.31Å; S447-T449 VanDerWaalsContact OG-OG1 3.11Å |
| 450 | A | 87 | Confident | 83.1 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 135.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | V414 C415 T437 W438 | V414-A450 HydrophobicContact CB-CB 3.95Å; V414-A450 HydrophobicContact CG2-CB 4.05Å; C415-A450 CarbonylContact O-C 3.46Å; C415-A450 WeakPolarHBondContact O-CA 3.22Å; T437-A450 CarbonylContact C-O 3.54Å; T437-A450 WeakPolarHBondContact CA-O 3.25Å; W438-A450 HydrophobicContact CB-CB 4.41Å; W438-A450 PolarHBondContact N-O 3.2Å; W438-A450 PolarHBondContact O-N 3.42Å |
| 451 | E | 85.5 | Confident | 83.3 | Confident | 131 Ų | 131 | 62.1 Ų | 62.1 | 61% | 0.612 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 145.6 | 174.5 | -65.3 | -176.3 | 175.5 | 0 | 0 | 110.1 | V414 C415 T437 | V414-E451 CarbonylContact C-O 3.23Å; V414-E451 VanDerWaalsContact CA-O 3.26Å; V414-E451 WeakPolarHBondContact CA-O 3.23Å; C415-E451 PolarHBondContact N-O 3.19Å; C415-E451 PolarHBondContact O-N 2.99Å; T437-E451 HydrophobicContact CG2-CG 4.27Å |
| 452 | E | 79.9 | Confident | 83.5 | Confident | 23 Ų | 23 | 62.9 Ų | 62.9 | 11% | 0.107 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 140.2 | 170.3 | -72.1 | -169 | 154.8 | 0 | 0 | 112.1 | S216 N436 | S216-E452 VanDerWaalsContact CB-OE2 3.25Å; S216-E452 WeakPolarHBondContact CB-OE2 3.09Å; N436-E452 HydrophobicContact CB-CB 4.13Å; N436-E452 HydrophobicContact CB-CG 3.96Å; N436-E452 WeakPolarHBondContact O-CG 3.49Å; N436-E452 PolarHBondContact O-N 3.31Å |
| 453 | G | 77.3 | Confident | 83.7 | Confident | 6 Ų | 6 | 61.2 Ų | 61.2 | 6% | 0.062 | 35% | 0.349 | C | S | . | . | S | Bend | trans | 100.2 | -168 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | P413 V414 C415 | P413-G453 CarbonylContact C-O 3.59Å; P413-G453 WeakPolarHBondContact O-CA 3.33Å; P413-G453 PolarHBondContact O-N 3.35Å; V414-G453 CarbonylContact C-O 3.49Å; C415-G453 PolarHBondContact N-O 3.19Å |
| 454 | F | 78.4 | Confident | 84.1 | Confident | 41 Ų | 41 | 64.8 Ų | 64.8 | 18% | 0.18 | 37% | 0.366 | C | S | . | . | trans | -82.8 | 148.7 | -179.9 | -60.7 | -58.2 | 0 | 0 | 0 | 111.4 | H217 L385 F411 P413 T420 K456 | H217-F454 AromaticContact CD2-CE2 3.66Å; H217-F454 AromaticContact CE1-CD2 3.79Å; H217-F454 AromaticContact CE1-CE2 3.47Å; H217-F454 VanDerWaalsContact CE1-CE2 3.47Å; H217-F454 WeakPolarHBondContact CE1-CE2 3.44Å; H217-F454 AromaticContact ND1-CD2 3.89Å; H217-F454 AromaticContact ND1-CE2 3.9Å; H217-F454 AromaticContact NE2-CE2 3.32Å; H217-F454 VanDerWaalsContact NE2-CE2 3.32Å; H217-F454 WeakPolarHBondContact NE2-CE2 3.09Å; L385-F454 HydrophobicContact CD1-CB 3.88Å; L385-F454 HydrophobicContact CD1-CD1 3.83Å; L385-F454 HydrophobicContact CD1-CG 4.03Å; L385-F454 HydrophobicContact CD2-CD1 3.17Å; L385-F454 HydrophobicContact CD2-CE1 3.15Å; L385-F454 HydrophobicContact CD2-CG 3.96Å; L385-F454 HydrophobicContact CD2-CZ 3.92Å; L385-F454 HydrophobicContact CG-CD1 4.1Å; L385-F454 HydrophobicContact CG-CE1 4.46Å; F411-F454 AromaticContact CE1-CE1 3.86Å; F411-F454 HydrophobicContact CE1-CE1 3.86Å; F411-F454 AromaticContact CE1-CZ 3.77Å; F411-F454 HydrophobicContact CE1-CZ 3.77Å; F411-F454 AromaticContact CZ-CE1 3.85Å; F411-F454 HydrophobicContact CZ-CE1 3.85Å; F411-F454 HydrophobicContact CZ-CZ 4.2Å; P413-F454 HydrophobicContact CB-CD1 3.89Å; P413-F454 HydrophobicContact CB-CE1 3.66Å; P413-F454 HydrophobicContact CB-CZ 4.45Å; P413-F454 HydrophobicContact CG-CD1 4.08Å; P413-F454 HydrophobicContact CG-CE1 3.66Å; P413-F454 HydrophobicContact CG-CZ 3.96Å; T420-F454 HydrophobicContact CG2-CD1 3.68Å; T420-F454 HydrophobicContact CG2-CE1 4.27Å; F454-K456 PolarHBondContact O-N 3.37Å | ||
| 455 | C | 80.1 | Confident | 84.4 | Confident | 12 Ų | 12 | 64 Ų | 64 | 8% | 0.081 | 36% | 0.359 | C | S | . | . | trans | -65.2 | 122.8 | 167.5 | -64.1 | 0 | 0 | 0 | 0 | 109.7 | C415 R419 T420 T457 | C415-C455 VanDerWaalsContact CA-SG 3.6Å; C415-C455 HydrophobicContact CB-CB 4.03Å; C415-C455 WeakPolarHBondContact CB-SG 3.42Å; C415-C455 WeakPolarHBondContact SG-CA 3.44Å; C415-C455 WeakPolarHBondContact SG-CB 3.28Å; C415-C455 CovalentContact SG-SG 2.02Å; C415-C455 PolarHBondContact SG-SG 2.97Å; R419-C455 PolarHBondContact N-SG 3.26Å; R419-C455 VanDerWaalsContact N-SG 3.39Å; R419-C455 PolarHBondContact O-SG 3.36Å; T420-C455 PolarHBondContact OG1-N 3.29Å; C455-T457 PolarHBondContact O-N 3.33Å | ||
| 456 | K | 75.4 | Confident | 84.9 | Confident | 197 Ų | 197 | 59.2 Ų | 59.2 | 86% | 0.857 | 34% | 0.338 | S | S | * | . | trans | -57.3 | 111 | 175.2 | -67.5 | -177.6 | -178.8 | 175.6 | 0 | 109.3 | F454 | F454-K456 PolarHBondContact O-N 3.37Š| ||
| 457 | T | 70 | Confident | 85.3 | Confident | 63 Ų | 63 | 58.3 Ų | 58.3 | 39% | 0.387 | 34% | 0.343 | S | S | . | . | trans | -70.6 | 136.4 | 164.3 | 41.9 | 0 | 0 | 0 | 0 | 108.1 | E320 C455 C459 | E320-T457 VanDerWaalsContact CD-OG1 3.28Å; E320-T457 PolarHBondContact OE1-OG1 3.17Å; E320-T457 PolarHBondContact OE2-N 2.9Å; E320-T457 PolarHBondContact OE2-OG1 2.72Å; C455-T457 PolarHBondContact O-N 3.33Å; T457-C459 PolarHBondContact O-N 3.18Å | ||
| 458 | G | 71 | Confident | 85.7 | Confident | 83 Ų | 83 | 58 Ų | 58 | 86% | 0.856 | 34% | 0.34 | S | S | * | . | trans | -69.9 | 42.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | T460 | G458-T460 PolarHBondContact O-N 3.03Š| ||
| 459 | C | 81.6 | Confident | 86.1 | Confident | 43 Ų | 43 | 53 Ų | 53 | 29% | 0.291 | 31% | 0.309 | S | S | . | . | trans | -74.6 | 115.5 | -171.7 | -175.2 | 0 | 0 | 0 | 0 | 111.1 | C382 T457 A461 | C382-C459 VanDerWaalsContact CA-SG 3.55Å; C382-C459 HydrophobicContact CB-CB 3.82Å; C382-C459 WeakPolarHBondContact CB-SG 3.38Å; C382-C459 WeakPolarHBondContact SG-CB 3.37Å; C382-C459 CovalentContact SG-SG 2.03Å; C382-C459 PolarHBondContact SG-SG 3.26Å; T457-C459 PolarHBondContact O-N 3.18Å; C459-A461 VanDerWaalsContact C-N 3.35Å | ||
| 460 | T | 86.2 | Confident | 86.6 | Confident | 112 Ų | 112 | 53.5 Ų | 53.5 | 69% | 0.687 | 31% | 0.307 | S | S | * | . | trans | -92.8 | 5.6 | 177.5 | 58 | 0 | 0 | 0 | 0 | 113.1 | G458 P463 | G458-T460 PolarHBondContact O-N 3.03Å; T460-P463 WeakPolarHBondContact O-CD 3.31Å | ||
| 461 | A | 91.2 | Very high | 87 | Confident | 12 Ų | 12 | 56.8 Ų | 56.8 | 10% | 0.099 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -77 | -22.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | F319 C459 M464 Y465 | F319-A461 HydrophobicContact CE1-CB 4.14Å; C459-A461 VanDerWaalsContact C-N 3.35Å; A461-M464 HydrophobicContact CB-CE 4.32Å; A461-M464 PolarHBondContact O-N 3.06Å; A461-Y465 WeakPolarHBondContact O-CB 3.46Å; A461-Y465 PolarHBondContact O-N 3.21Å |
| 462 | L | 91.8 | Very high | 87.6 | Confident | 20 Ų | 20 | 50.8 Ų | 50.8 | 11% | 0.105 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -57.5 | -51.4 | -175.2 | 174.3 | 67.4 | 0 | 0 | 0 | 113.3 | I315 F319 Q321 Y329 M464 Y465 I466 | I315-L462 HydrophobicContact CG2-CD1 4.44Å; F319-L462 HydrophobicContact CB-CB 4.37Å; F319-L462 HydrophobicContact CB-CD1 3.83Å; F319-L462 HydrophobicContact CB-CG 4.47Å; F319-L462 HydrophobicContact CD1-CB 3.64Å; F319-L462 HydrophobicContact CD1-CD1 3.93Å; F319-L462 HydrophobicContact CD1-CG 4.39Å; F319-L462 HydrophobicContact CD2-CD1 3.87Å; F319-L462 HydrophobicContact CE1-CB 4.18Å; F319-L462 HydrophobicContact CE1-CD1 4.47Å; F319-L462 HydrophobicContact CE2-CD1 4.42Å; F319-L462 HydrophobicContact CG-CB 4.14Å; F319-L462 HydrophobicContact CG-CD1 3.61Å; F319-L462 HydrophobicContact CG-CG 4.42Å; Q321-L462 HydrophobicContact CG-CD2 4.02Å; Y329-L462 HydrophobicContact CD2-CD1 4.47Å; Y329-L462 HydrophobicContact CE2-CD2 4Å; L462-M464 VanDerWaalsContact C-N 3.32Å; L462-M464 PolarHBondContact O-N 3Å; L462-Y465 PolarHBondContact O-N 3.41Å; L462-I466 HydrophobicContact CD1-CD1 3.76Å; L462-I466 HydrophobicContact CD1-CG1 4.08Å; L462-I466 HydrophobicContact CG-CD1 3.86Å; L462-I466 WeakPolarHBondContact O-CG1 3.46Å; L462-I466 PolarHBondContact O-N 2.84Å |
| 463 | P | 93.6 | Very high | 88.3 | Confident | 82 Ų | 82 | 49.9 Ų | 49.9 | 53% | 0.532 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.6 | -39.5 | 176.9 | -24.1 | 34.8 | 0 | 0 | 0 | 113.1 | T460 Y465 I466 T467 | T460-P463 WeakPolarHBondContact O-CD 3.31Å; P463-Y465 PolarHBondContact O-N 2.99Å; P463-I466 PolarHBondContact O-N 2.59Å; P463-T467 WeakPolarHBondContact O-CB 3.5Å; P463-T467 PolarHBondContact O-N 3.38Å; P463-T467 PolarHBondContact O-OG1 3.14Å; P463-T467 VanDerWaalsContact O-OG1 3.07Å |
| 464 | M | 94 | Very high | 89.2 | Confident | 91 Ų | 91 | 51.6 Ų | 51.6 | 45% | 0.448 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.2 | -41.4 | 178.2 | -64.3 | -173.2 | -71.6 | 0 | 0 | 111.6 | F380 A461 L462 T468 | F380-M464 HydrophobicContact CD1-CB 4Å; F380-M464 HydrophobicContact CE1-CB 4.09Å; F380-M464 HydrophobicContact CE1-SD 4.4Å; A461-M464 HydrophobicContact CB-CE 4.32Å; A461-M464 PolarHBondContact O-N 3.06Å; L462-M464 VanDerWaalsContact C-N 3.32Å; L462-M464 PolarHBondContact O-N 3Å; M464-T468 VanDerWaalsContact O-CB 3.29Å; M464-T468 WeakPolarHBondContact O-CB 3.36Å; M464-T468 PolarHBondContact O-N 3.04Å; M464-T468 PolarHBondContact O-OG1 2.61Å |
| 465 | Y | 95.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.2 | -51.5 | 174.3 | 177.2 | -97.1 | 0 | 0 | 0 | 111.2 | Y307 F314 I315 F319 I333 F380 A461 L462 P463 T467 T468 M469 H553 | Y307-Y465 PolarHBondContact OH-OH 3.08Å; F314-Y465 HydrophobicContact CE1-CE1 4.25Å; F314-Y465 AromaticContact CE1-CE2 3.83Å; F314-Y465 HydrophobicContact CE1-CE2 3.83Å; F314-Y465 AromaticContact CE1-CZ 3.54Å; F314-Y465 VanDerWaalsContact CE1-OH 3.28Å; F314-Y465 WeakPolarHBondContact CE1-OH 3.33Å; I315-Y465 HydrophobicContact CD1-CE1 4.48Å; I315-Y465 HydrophobicContact CG1-CE1 4.23Å; F319-Y465 AromaticContact CE2-CD1 3.66Å; F319-Y465 HydrophobicContact CE2-CD1 3.66Å; F319-Y465 HydrophobicContact CE2-CD2 4.25Å; F319-Y465 HydrophobicContact CE2-CE1 4.03Å; F319-Y465 AromaticContact CE2-CG 3.79Å; F319-Y465 HydrophobicContact CE2-CG 3.79Å; F319-Y465 AromaticContact CZ-CD1 3.84Å; F319-Y465 HydrophobicContact CZ-CD1 3.84Å; F319-Y465 AromaticContact CZ-CD2 3.92Å; F319-Y465 HydrophobicContact CZ-CD2 3.92Å; F319-Y465 AromaticContact CZ-CG 3.48Å; F319-Y465 HydrophobicContact CZ-CG 3.48Å; F319-Y465 VanDerWaalsContact CZ-CG 3.48Å; I333-Y465 HydrophobicContact CD1-CD1 4.5Å; I333-Y465 HydrophobicContact CD1-CE1 4.15Å; F380-Y465 HydrophobicContact CB-CD2 4.1Å; A461-Y465 WeakPolarHBondContact O-CB 3.46Å; A461-Y465 PolarHBondContact O-N 3.21Å; L462-Y465 PolarHBondContact O-N 3.41Å; P463-Y465 PolarHBondContact O-N 2.99Å; Y465-T467 PolarHBondContact O-N 3.35Å; Y465-T468 PolarHBondContact O-N 2.71Å; Y465-M469 HydrophobicContact CD1-CG 4.23Å; Y465-M469 HydrophobicContact CD2-CG 4.03Å; Y465-M469 HydrophobicContact CE1-CG 3.88Å; Y465-M469 HydrophobicContact CE2-CE 4.31Å; Y465-M469 HydrophobicContact CE2-CG 3.65Å; Y465-M469 HydrophobicContact CE2-SD 4.09Å; Y465-M469 HydrophobicContact CG-CG 4.3Å; Y465-M469 WeakPolarHBondContact O-CB 3.3Å; Y465-M469 VanDerWaalsContact O-CG 3.28Å; Y465-M469 WeakPolarHBondContact O-CG 3.28Å; Y465-M469 PolarHBondContact O-N 3.07Å; Y465-H553 AromaticContact CE2-CE1 3.75Å; Y465-H553 AromaticContact CE2-NE2 3.78Å; Y465-H553 PolarHBondContact OH-CE1 2.81Å |
| 466 | I | 95.6 | Very high | 90.8 | Very high | 23 Ų | 23 | 52.6 Ų | 52.6 | 12% | 0.118 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.8 | -49.8 | -179.4 | -65.7 | 165.6 | 0 | 0 | 0 | 110.8 | Y329 I333 L462 P463 T468 M469 F470 | Y329-I466 HydrophobicContact CD1-CD1 3.55Å; Y329-I466 HydrophobicContact CD1-CG1 4.5Å; Y329-I466 HydrophobicContact CD2-CD1 4.12Å; Y329-I466 HydrophobicContact CE1-CD1 3.77Å; Y329-I466 HydrophobicContact CE2-CD1 4.31Å; Y329-I466 HydrophobicContact CG-CD1 3.74Å; Y329-I466 HydrophobicContact CG-CG1 4.46Å; I333-I466 HydrophobicContact CD1-CB 4.42Å; I333-I466 HydrophobicContact CD1-CG1 4.2Å; I333-I466 HydrophobicContact CD1-CG2 4.38Å; I333-I466 HydrophobicContact CG1-CG2 4.34Å; L462-I466 HydrophobicContact CD1-CD1 3.76Å; L462-I466 HydrophobicContact CD1-CG1 4.08Å; L462-I466 HydrophobicContact CG-CD1 3.86Å; L462-I466 WeakPolarHBondContact O-CG1 3.46Å; L462-I466 PolarHBondContact O-N 2.84Å; P463-I466 PolarHBondContact O-N 2.59Å; I466-T468 PolarHBondContact O-N 2.9Å; I466-M469 PolarHBondContact O-N 3.25Å; I466-F470 WeakPolarHBondContact O-CB 3.32Å; I466-F470 PolarHBondContact O-N 2.83Å |
| 467 | T | 95.7 | Very high | 91.7 | Very high | 87 Ų | 87 | 43.5 Ų | 43.5 | 53% | 0.534 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.6 | -44.8 | -179.4 | -58.8 | 0 | 0 | 0 | 0 | 111.5 | P463 Y465 V471 | P463-T467 WeakPolarHBondContact O-CB 3.5Å; P463-T467 PolarHBondContact O-N 3.38Å; P463-T467 PolarHBondContact O-OG1 3.14Å; P463-T467 VanDerWaalsContact O-OG1 3.07Å; Y465-T467 PolarHBondContact O-N 3.35Å; T467-V471 HydrophobicContact CG2-CG2 4.3Å; T467-V471 WeakPolarHBondContact O-CB 3.36Å; T467-V471 VanDerWaalsContact O-CG2 3.29Å; T467-V471 WeakPolarHBondContact O-CG2 3.43Å; T467-V471 PolarHBondContact O-N 2.97Å |
| 468 | T | 95.9 | Very high | 92.9 | Very high | 33 Ų | 33 | 41.6 Ų | 41.6 | 20% | 0.202 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.5 | -47.9 | -179.9 | -56.7 | 0 | 0 | 0 | 0 | 111.3 | L376 F380 M464 Y465 I466 G472 | L376-T468 HydrophobicContact CB-CG2 4.05Å; L376-T468 HydrophobicContact CD2-CG2 4.01Å; F380-T468 HydrophobicContact CD2-CG2 4.39Å; F380-T468 HydrophobicContact CE2-CG2 3.91Å; F380-T468 WeakPolarHBondContact CE2-OG1 3.3Å; M464-T468 VanDerWaalsContact O-CB 3.29Å; M464-T468 WeakPolarHBondContact O-CB 3.36Å; M464-T468 PolarHBondContact O-N 3.04Å; M464-T468 PolarHBondContact O-OG1 2.61Å; Y465-T468 PolarHBondContact O-N 2.71Å; I466-T468 PolarHBondContact O-N 2.9Å; T468-G472 PolarHBondContact O-N 3.49Å |
| 469 | M | 95.8 | Very high | 94 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.8 | -44.7 | 179 | -69.4 | -61.7 | 110.2 | 0 | 0 | 111.5 | I333 T373 Y465 I466 L473 | I333-M469 HydrophobicContact CD1-CB 4.16Å; I333-M469 HydrophobicContact CG1-CB 4.29Å; I333-M469 HydrophobicContact CG2-CB 3.68Å; T373-M469 HydrophobicContact CG2-CE 3.73Å; T373-M469 HydrophobicContact CG2-SD 4.08Å; T373-M469 WeakPolarHBondContact O-CE 3.5Å; Y465-M469 HydrophobicContact CD1-CG 4.23Å; Y465-M469 HydrophobicContact CD2-CG 4.03Å; Y465-M469 HydrophobicContact CE1-CG 3.88Å; Y465-M469 HydrophobicContact CE2-CE 4.31Å; Y465-M469 HydrophobicContact CE2-CG 3.65Å; Y465-M469 HydrophobicContact CE2-SD 4.09Å; Y465-M469 HydrophobicContact CG-CG 4.3Å; Y465-M469 WeakPolarHBondContact O-CB 3.3Å; Y465-M469 VanDerWaalsContact O-CG 3.28Å; Y465-M469 WeakPolarHBondContact O-CG 3.28Å; Y465-M469 PolarHBondContact O-N 3.07Å; I466-M469 PolarHBondContact O-N 3.25Å; M469-L473 VanDerWaalsContact O-CB 3.25Å; M469-L473 WeakPolarHBondContact O-CB 3.43Å; M469-L473 WeakPolarHBondContact O-CG 3.39Å; M469-L473 PolarHBondContact O-N 3.39Å |
| 470 | F | 96.2 | Very high | 94.4 | Very high | 64 Ų | 64 | 38.4 Ų | 38.4 | 28% | 0.281 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -62.7 | -51.9 | 179.8 | 179.9 | -91.8 | 0 | 0 | 0 | 111.7 | L332 I466 G472 F474 | L332-F470 HydrophobicContact CD1-CD2 4.32Å; L332-F470 HydrophobicContact CD1-CE2 3.97Å; L332-F470 HydrophobicContact CG-CD2 4.09Å; L332-F470 HydrophobicContact CG-CE2 4.25Å; L332-F470 WeakPolarHBondContact O-CD2 3.48Å; I466-F470 WeakPolarHBondContact O-CB 3.32Å; I466-F470 PolarHBondContact O-N 2.83Å; F470-G472 PolarHBondContact O-N 3.14Å; F470-F474 WeakPolarHBondContact O-CB 3.17Å; F470-F474 PolarHBondContact O-N 2.98Å |
| 471 | V | 96.9 | Very high | 94.6 | Very high | 69 Ų | 69 | 37 Ų | 37 | 42% | 0.418 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -64.3 | -44 | -178.9 | 173.2 | 0 | 0 | 0 | 0 | 110.7 | T467 F474 L475 | T467-V471 HydrophobicContact CG2-CG2 4.3Å; T467-V471 WeakPolarHBondContact O-CB 3.36Å; T467-V471 VanDerWaalsContact O-CG2 3.29Å; T467-V471 WeakPolarHBondContact O-CG2 3.43Å; T467-V471 PolarHBondContact O-N 2.97Å; V471-F474 PolarHBondContact O-N 3.24Å; V471-L475 HydrophobicContact CG1-CD1 3.89Å; V471-L475 HydrophobicContact CG1-CG 4.37Å; V471-L475 WeakPolarHBondContact O-CB 3.3Å; V471-L475 WeakPolarHBondContact O-CG 3.46Å; V471-L475 PolarHBondContact O-N 2.95Å |
| 472 | G | 96.7 | Very high | 94.6 | Very high | 6 Ų | 6 | 36.5 Ų | 36.5 | 6% | 0.062 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.4 | -45.4 | 180 | 0 | 0 | 0 | 0 | 0 | 113.3 | T373 T468 F470 G476 | T373-G472 WeakPolarHBondContact OG1-CA 3.33Å; T468-G472 PolarHBondContact O-N 3.49Å; F470-G472 PolarHBondContact O-N 3.14Å; G472-G476 WeakPolarHBondContact O-CA 3.5Å; G472-G476 PolarHBondContact O-N 3.19Å |
| 473 | L | 95.3 | Very high | 94.6 | Very high | 4 Ų | 4 | 35.6 Ų | 35.6 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -71.2 | -34.5 | 176.1 | -65.9 | 179.4 | 0 | 0 | 0 | 112.4 | L303 I333 S337 I370 Y374 M469 G476 N477 | L303-L473 HydrophobicContact CD2-CD2 4.5Å; I333-L473 HydrophobicContact CG2-CD1 3.65Å; S337-L473 WeakPolarHBondContact OG-CB 3.47Å; I370-L473 HydrophobicContact CG2-CD2 4.32Å; Y374-L473 HydrophobicContact CE1-CD2 4.22Å; Y374-L473 WeakPolarHBondContact OH-CD2 2.93Å; M469-L473 VanDerWaalsContact O-CB 3.25Å; M469-L473 WeakPolarHBondContact O-CB 3.43Å; M469-L473 WeakPolarHBondContact O-CG 3.39Å; M469-L473 PolarHBondContact O-N 3.39Å; L473-G476 PolarHBondContact O-N 3.28Å; L473-N477 WeakPolarHBondContact O-CB 3.35Å; L473-N477 PolarHBondContact O-N 3.3Å; L473-N477 PolarHBondContact O-ND2 2.9Å |
| 474 | F | 95.9 | Very high | 94.4 | Very high | 42 Ų | 42 | 33.8 Ų | 33.8 | 18% | 0.184 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.9 | -54 | 174.8 | -179.4 | -86.8 | 0 | 0 | 0 | 111.3 | V340 S341 L344 F470 V471 G476 N477 L478 | V340-F474 HydrophobicContact CB-CE2 3.93Å; V340-F474 HydrophobicContact CG1-CE2 3.73Å; V340-F474 HydrophobicContact CG1-CZ 4.41Å; S341-F474 WeakPolarHBondContact CB-O 3.38Å; L344-F474 HydrophobicContact CD2-CE1 4.28Å; L344-F474 HydrophobicContact CD2-CZ 3.9Å; F470-F474 WeakPolarHBondContact O-CB 3.17Å; F470-F474 PolarHBondContact O-N 2.98Å; V471-F474 PolarHBondContact O-N 3.24Å; F474-G476 PolarHBondContact O-N 2.98Å; F474-N477 PolarHBondContact O-N 3.44Å; F474-L478 PolarHBondContact O-N 2.79Å |
| 475 | L | 97.1 | Very high | 94.1 | Very high | 74 Ų | 74 | 31.7 Ų | 31.7 | 39% | 0.387 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -64.3 | -35.4 | 177.9 | -66.8 | 177.3 | 0 | 0 | 0 | 111.3 | T366 I369 V471 N477 L478 | T366-L475 WeakPolarHBondContact CB-O 3.18Å; T366-L475 VanDerWaalsContact CG2-O 3.26Å; T366-L475 WeakPolarHBondContact CG2-O 3.38Å; I369-L475 HydrophobicContact CD1-CB 4.47Å; I369-L475 HydrophobicContact CG2-CB 4.33Å; V471-L475 HydrophobicContact CG1-CD1 3.89Å; V471-L475 HydrophobicContact CG1-CG 4.37Å; V471-L475 WeakPolarHBondContact O-CB 3.3Å; V471-L475 WeakPolarHBondContact O-CG 3.46Å; V471-L475 PolarHBondContact O-N 2.95Å; L475-N477 PolarHBondContact O-N 3.24Å; L475-L478 HydrophobicContact CD2-CD1 3.99Å; L475-L478 WeakPolarHBondContact O-CD1 3.49Å |
| 476 | G | 95.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.3 | -33.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | T366 I370 G472 L473 F474 | T366-G476 WeakPolarHBondContact CB-O 3.43Å; T366-G476 VanDerWaalsContact O-CA 3.32Å; T366-G476 WeakPolarHBondContact O-CA 3.35Å; T366-G476 PolarHBondContact OG1-O 3.38Å; T366-G476 VanDerWaalsContact OG1-O 3.09Å; I370-G476 VanDerWaalsContact CG1-CA 3.4Å; G472-G476 WeakPolarHBondContact O-CA 3.5Å; G472-G476 PolarHBondContact O-N 3.19Å; L473-G476 PolarHBondContact O-N 3.28Å; F474-G476 PolarHBondContact O-N 2.98Å |
| 477 | N | 94.5 | Very high | 93.6 | Very high | 6 Ų | 6 | 30.7 Ų | 30.7 | 3% | 0.032 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -98.5 | 1.2 | -175.1 | -74.3 | -68.9 | 0 | 0 | 0 | 114.5 | V338 S341 L473 F474 L475 F479 F480 | V338-N477 HydrophobicContact CG2-CB 4.5Å; S341-N477 WeakPolarHBondContact OG-CB 3.27Å; L473-N477 WeakPolarHBondContact O-CB 3.35Å; L473-N477 PolarHBondContact O-N 3.3Å; L473-N477 PolarHBondContact O-ND2 2.9Å; F474-N477 PolarHBondContact O-N 3.44Å; L475-N477 PolarHBondContact O-N 3.24Å; N477-F479 PolarHBondContact O-N 3.49Å; N477-F480 VanDerWaalsContact O-CB 3.3Å; N477-F480 WeakPolarHBondContact O-CB 3.49Å; N477-F480 PolarHBondContact O-N 3.25Å; N477-F480 VanDerWaalsContact O-N 3.14Å |
| 478 | L | 94.3 | Very high | 93.1 | Very high | 22 Ų | 22 | 29.1 Ų | 29.1 | 12% | 0.115 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47.7 | -55.7 | 176.4 | -85 | 157.7 | 0 | 0 | 0 | 111.7 | L344 G345 L348 T366 F474 L475 F480 | L344-L478 HydrophobicContact CB-CD2 4.32Å; L344-L478 HydrophobicContact CD2-CD2 3.88Å; L344-L478 HydrophobicContact CG-CD2 3.98Å; G345-L478 WeakPolarHBondContact CA-O 3.38Å; L348-L478 HydrophobicContact CD1-CD2 4.14Å; T366-L478 HydrophobicContact CG2-CB 4.49Å; F474-L478 PolarHBondContact O-N 2.79Å; L475-L478 HydrophobicContact CD2-CD1 3.99Å; L475-L478 WeakPolarHBondContact O-CD1 3.49Å; L478-F480 VanDerWaalsContact C-N 3.34Å; L478-F480 PolarHBondContact O-N 3.24Å |
| 479 | F | 94.2 | Very high | 92.6 | Very high | 22 Ų | 22 | 31.5 Ų | 31.5 | 10% | 0.096 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | 17.8 | -175.6 | -62.1 | -73 | 0 | 0 | 0 | 114.1 | L348 L349 I354 L362 L363 T366 N477 M481 T482 | L348-F479 HydrophobicContact CB-CE1 4.45Å; L348-F479 HydrophobicContact CD1-CZ 4.46Å; L349-F479 HydrophobicContact CD1-CD1 4.36Å; L349-F479 HydrophobicContact CD2-CD1 3.86Å; L349-F479 HydrophobicContact CD2-CE1 4.19Å; L349-F479 HydrophobicContact CG-CD1 3.95Å; L349-F479 HydrophobicContact CG-CE1 4.25Å; I354-F479 HydrophobicContact CD1-CE1 4.36Å; L362-F479 HydrophobicContact CB-CD1 4.31Å; L362-F479 HydrophobicContact CB-CD2 3.64Å; L362-F479 HydrophobicContact CB-CE1 4.49Å; L362-F479 HydrophobicContact CB-CE2 3.85Å; L362-F479 HydrophobicContact CB-CG 3.89Å; L362-F479 HydrophobicContact CB-CZ 4.28Å; L362-F479 HydrophobicContact CD1-CD1 4.41Å; L362-F479 HydrophobicContact CD1-CE1 3.92Å; L362-F479 HydrophobicContact CD1-CE2 4.18Å; L362-F479 HydrophobicContact CD1-CZ 3.8Å; L362-F479 HydrophobicContact CD2-CE2 4.29Å; L362-F479 HydrophobicContact CG-CE2 4.33Å; L362-F479 HydrophobicContact CG-CZ 4.44Å; L363-F479 HydrophobicContact CB-CB 4.37Å; L363-F479 WeakPolarHBondContact CD1-O 3.45Å; T366-F479 HydrophobicContact CG2-CD2 3.67Å; T366-F479 HydrophobicContact CG2-CE2 4.25Å; N477-F479 PolarHBondContact O-N 3.49Å; F479-M481 PolarHBondContact O-N 3.12Å; F479-M481 VanDerWaalsContact O-N 3.12Å; F479-T482 WeakPolarHBondContact O-CB 3.38Å; F479-T482 PolarHBondContact O-N 3.33Å; F479-T482 PolarHBondContact O-OG1 2.92Å; F479-T482 VanDerWaalsContact O-OG1 3.09Å |
| 480 | F | 91.6 | Very high | 92.3 | Very high | 38 Ų | 38 | 31.6 Ų | 31.6 | 17% | 0.167 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -36.1 | -179.1 | 176.9 | -109.3 | 0 | 0 | 0 | 112.8 | W297 T342 N477 L478 T482 T483 | W297-F480 AromaticContact NE1-CZ 4Å; T342-F480 HydrophobicContact CG2-CB 4.13Å; T342-F480 HydrophobicContact CG2-CD1 4.02Å; N477-F480 VanDerWaalsContact O-CB 3.3Å; N477-F480 WeakPolarHBondContact O-CB 3.49Å; N477-F480 PolarHBondContact O-N 3.25Å; N477-F480 VanDerWaalsContact O-N 3.14Å; L478-F480 VanDerWaalsContact C-N 3.34Å; L478-F480 PolarHBondContact O-N 3.24Å; F480-T482 PolarHBondContact O-N 2.91Å; F480-T482 VanDerWaalsContact O-N 3.09Å; F480-T483 HydrophobicContact CD2-CG2 4.36Å; F480-T483 HydrophobicContact CE2-CG2 4.42Å; F480-T483 WeakPolarHBondContact O-CB 3.49Å; F480-T483 VanDerWaalsContact O-CG2 3.31Å; F480-T483 WeakPolarHBondContact O-CG2 3.5Å; F480-T483 PolarHBondContact O-N 3.29Å; F480-T483 PolarHBondContact O-OG1 3.36Å |
| 481 | M | 89.2 | Confident | 91.8 | Very high | 82 Ų | 82 | 28.9 Ų | 28.9 | 40% | 0.404 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -19.9 | 177.1 | -71.2 | -171.3 | 72.2 | 0 | 0 | 114.4 | L349 F479 T483 M484 T485 | L349-M481 HydrophobicContact CD1-CB 4.31Å; F479-M481 PolarHBondContact O-N 3.12Å; F479-M481 VanDerWaalsContact O-N 3.12Å; M481-T483 PolarHBondContact O-N 2.66Å; M481-M484 PolarHBondContact O-N 3.02Å; M481-M484 VanDerWaalsContact O-N 3.08Å; M481-T485 PolarHBondContact O-N 2.64Å; M481-T485 VanDerWaalsContact O-N 3.13Å; M481-T485 PolarHBondContact O-OG1 3.22Å |
| 482 | T | 91.8 | Very high | 90.9 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.006 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -57.6 | -29.3 | 173.5 | -61.5 | 0 | 0 | 0 | 0 | 111.8 | A359 L363 F479 F480 M484 T485 V486 | A359-T482 HydrophobicContact CB-CG2 3.72Å; L363-T482 HydrophobicContact CB-CG2 4.39Å; L363-T482 HydrophobicContact CD2-CG2 4.28Å; F479-T482 WeakPolarHBondContact O-CB 3.38Å; F479-T482 PolarHBondContact O-N 3.33Å; F479-T482 PolarHBondContact O-OG1 2.92Å; F479-T482 VanDerWaalsContact O-OG1 3.09Å; F480-T482 PolarHBondContact O-N 2.91Å; F480-T482 VanDerWaalsContact O-N 3.09Å; T482-M484 PolarHBondContact O-N 2.82Å; T482-T485 PolarHBondContact O-N 2.88Å; T482-V486 HydrophobicContact CG2-CG2 3.93Å; T482-V486 WeakPolarHBondContact O-CB 3.35Å; T482-V486 VanDerWaalsContact O-CG2 3.3Å; T482-V486 WeakPolarHBondContact O-CG2 3.36Å; T482-V486 PolarHBondContact O-N 3.04Å |
| 483 | T | 92.2 | Very high | 89.8 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.006 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -55.3 | -50 | 172.8 | 59.9 | 0 | 0 | 0 | 0 | 112 | M293 L363 W367 F480 M481 V487 | M293-T483 HydrophobicContact CE-CG2 3.42Å; M293-T483 VanDerWaalsContact CE-CG2 3.42Å; L363-T483 HydrophobicContact CD2-CG2 4Å; W367-T483 HydrophobicContact CZ2-CG2 4.1Å; F480-T483 HydrophobicContact CD2-CG2 4.36Å; F480-T483 HydrophobicContact CE2-CG2 4.42Å; F480-T483 WeakPolarHBondContact O-CB 3.49Å; F480-T483 VanDerWaalsContact O-CG2 3.31Å; F480-T483 WeakPolarHBondContact O-CG2 3.5Å; F480-T483 PolarHBondContact O-N 3.29Å; F480-T483 PolarHBondContact O-OG1 3.36Å; M481-T483 PolarHBondContact O-N 2.66Å; T483-V487 VanDerWaalsContact O-CG2 3.31Å; T483-V487 WeakPolarHBondContact O-CG2 3.01Å; T483-V487 PolarHBondContact O-N 2.94Å; T483-V487 VanDerWaalsContact O-N 3.17Å |
| 484 | M | 88.3 | Confident | 88.8 | Confident | 45 Ų | 45 | 41 Ų | 41 | 22% | 0.222 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.4 | -45.7 | 176.7 | -67.2 | -46.2 | 96.7 | 0 | 0 | 111 | W297 M481 T482 V486 V487 L488 L500 | W297-M484 HydrophobicContact CD2-CE 3.55Å; W297-M484 HydrophobicContact CE3-CE 3.41Å; W297-M484 VanDerWaalsContact CE3-CE 3.41Å; W297-M484 HydrophobicContact CE3-SD 4.47Å; W297-M484 HydrophobicContact CH2-CE 3.01Å; W297-M484 HydrophobicContact CH2-SD 3.26Å; W297-M484 WeakPolarHBondContact CH2-SD 3.06Å; W297-M484 HydrophobicContact CZ2-CE 3.14Å; W297-M484 HydrophobicContact CZ2-SD 3.82Å; W297-M484 HydrophobicContact CZ3-CE 3.14Å; W297-M484 HydrophobicContact CZ3-SD 3.63Å; M481-M484 PolarHBondContact O-N 3.02Å; M481-M484 VanDerWaalsContact O-N 3.08Å; T482-M484 PolarHBondContact O-N 2.82Å; M484-V486 VanDerWaalsContact C-N 3.34Å; M484-V486 PolarHBondContact O-N 3.15Å; M484-V487 PolarHBondContact O-N 3.4Å; M484-L488 WeakPolarHBondContact O-CG 3.32Å; M484-L488 PolarHBondContact O-N 2.94Å; M484-L500 HydrophobicContact SD-CD1 3.7Å |
| 485 | T | 87.5 | Confident | 87.8 | Confident | 46 Ų | 46 | 41.6 Ų | 41.6 | 28% | 0.282 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -61.6 | -41.9 | -177 | -52.4 | 0 | 0 | 0 | 0 | 111.9 | M481 T482 R489 | M481-T485 PolarHBondContact O-N 2.64Å; M481-T485 VanDerWaalsContact O-N 3.13Å; M481-T485 PolarHBondContact O-OG1 3.22Å; T482-T485 PolarHBondContact O-N 2.88Å; T485-R489 HydrophobicContact CG2-CG 4.47Å; T485-R489 WeakPolarHBondContact O-CB 3.45Å; T485-R489 VanDerWaalsContact O-CG 3.31Å; T485-R489 WeakPolarHBondContact O-CG 3.42Å; T485-R489 PolarHBondContact O-N 3.49Å |
| 486 | V | 91 | Very high | 87 | Confident | 2 Ų | 2 | 40.8 Ų | 40.8 | 1% | 0.012 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.1 | -46.5 | 177.7 | 171.7 | 0 | 0 | 0 | 0 | 110.5 | V289 M293 T360 T482 M484 L488 R489 C490 T570 | V289-V486 HydrophobicContact CG1-CG1 3.95Å; M293-V486 HydrophobicContact CB-CG1 4.17Å; M293-V486 HydrophobicContact CG-CB 4.05Å; M293-V486 HydrophobicContact CG-CG1 3.81Å; M293-V486 HydrophobicContact SD-CB 4.2Å; M293-V486 HydrophobicContact SD-CG1 3.99Å; T360-V486 WeakPolarHBondContact OG1-CG2 3.44Å; T482-V486 HydrophobicContact CG2-CG2 3.93Å; T482-V486 WeakPolarHBondContact O-CB 3.35Å; T482-V486 VanDerWaalsContact O-CG2 3.3Å; T482-V486 WeakPolarHBondContact O-CG2 3.36Å; T482-V486 PolarHBondContact O-N 3.04Å; M484-V486 VanDerWaalsContact C-N 3.34Å; M484-V486 PolarHBondContact O-N 3.15Å; V486-L488 VanDerWaalsContact C-N 3.3Å; V486-L488 PolarHBondContact O-N 3.45Å; V486-R489 PolarHBondContact O-N 3.45Å; V486-C490 WeakPolarHBondContact O-CB 3.41Å; V486-C490 PolarHBondContact O-N 2.93Å; V486-C490 PolarHBondContact O-SG 3.05Å; V486-T570 HydrophobicContact CG1-CG2 4.45Å |
| 487 | V | 89.5 | Confident | 85.9 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.2 | -42 | 178.4 | 166 | 0 | 0 | 0 | 0 | 112 | Y290 M293 V294 T483 M484 C490 | Y290-V487 HydrophobicContact CD2-CG1 4.13Å; Y290-V487 HydrophobicContact CE2-CG1 3.83Å; M293-V487 HydrophobicContact CB-CG2 4.2Å; M293-V487 HydrophobicContact CG-CG2 3.97Å; V294-V487 HydrophobicContact CG2-CG2 4.3Å; T483-V487 VanDerWaalsContact O-CG2 3.31Å; T483-V487 WeakPolarHBondContact O-CG2 3.01Å; T483-V487 PolarHBondContact O-N 2.94Å; T483-V487 VanDerWaalsContact O-N 3.17Å; M484-V487 PolarHBondContact O-N 3.4Å; V487-C490 PolarHBondContact O-SG 2.88Å; V487-C490 VanDerWaalsContact O-SG 3.36Å |
| 488 | L | 85.1 | Confident | 85.1 | Confident | 55 Ų | 55 | 46.6 Ų | 46.6 | 29% | 0.288 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -76.3 | -31.8 | -179.4 | -68.2 | 172.9 | 0 | 0 | 0 | 113.6 | M484 V486 R496 | M484-L488 WeakPolarHBondContact O-CG 3.32Å; M484-L488 PolarHBondContact O-N 2.94Å; V486-L488 VanDerWaalsContact C-N 3.3Å; V486-L488 PolarHBondContact O-N 3.45Å; L488-R496 HydrophobicContact CD2-CB 3.87Å; L488-R496 HydrophobicContact CD2-CG 4.08Å; L488-R496 PolarHBondContact O-NE 3.18Å; L488-R496 PolarHBondContact O-NH2 2.72Å |
| 489 | R | 87.2 | Confident | 84.5 | Confident | 83 Ų | 83 | 45.5 Ų | 45.5 | 31% | 0.313 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -81.1 | -28.3 | -178.7 | -75.7 | -176.2 | 173.8 | 165.7 | -0.4 | 113 | T485 V486 V491 Y579 | T485-R489 HydrophobicContact CG2-CG 4.47Å; T485-R489 WeakPolarHBondContact O-CB 3.45Å; T485-R489 VanDerWaalsContact O-CG 3.31Å; T485-R489 WeakPolarHBondContact O-CG 3.42Å; T485-R489 PolarHBondContact O-N 3.49Å; V486-R489 PolarHBondContact O-N 3.45Å; R489-V491 PolarHBondContact O-N 2.71Å; R489-Y579 HydrophobicContact CB-CD1 4.02Å; R489-Y579 HydrophobicContact CB-CE1 4.07Å; R489-Y579 WeakPolarHBondContact O-CD1 3.18Å |
| 490 | C | 88.7 | Confident | 83.7 | Confident | 2 Ų | 2 | 47.7 Ų | 47.7 | 1% | 0.014 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | 4.7 | -179.1 | 69.9 | 0 | 0 | 0 | 0 | 114.2 | N287 V289 V486 V487 F577 | N287-C490 PolarHBondContact ND2-O 2.62Å; V289-C490 HydrophobicContact CB-CB 4.23Å; V289-C490 HydrophobicContact CG1-CB 3.84Å; V486-C490 WeakPolarHBondContact O-CB 3.41Å; V486-C490 PolarHBondContact O-N 2.93Å; V486-C490 PolarHBondContact O-SG 3.05Å; V487-C490 PolarHBondContact O-SG 2.88Å; V487-C490 VanDerWaalsContact O-SG 3.36Å; C490-F577 HydrophobicContact CB-CE1 3.87Å; C490-F577 HydrophobicContact CB-CZ 3.91Å; C490-F577 WeakPolarHBondContact O-CZ 3.33Å |
| 491 | V | 85.3 | Confident | 83.3 | Confident | 7 Ų | 7 | 49.4 Ų | 49.4 | 4% | 0.042 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -129.5 | 156.3 | 179.3 | -58.7 | 0 | 0 | 0 | 0 | 110.2 | Y290 R489 R496 A499 | Y290-V491 HydrophobicContact CD2-CG1 4.06Å; R489-V491 PolarHBondContact O-N 2.71Å; V491-R496 HydrophobicContact CG2-CG 3.86Å; V491-A499 HydrophobicContact CB-CB 4.39Å; V491-A499 HydrophobicContact CG1-CB 4.01Å; V491-A499 HydrophobicContact CG2-CB 3.82Å |
| 492 | D | 79.1 | Confident | 83.2 | Confident | 82 Ų | 82 | 46.4 Ų | 46.4 | 44% | 0.439 | 25% | 0.246 | S | C | . | . | trans | -63.1 | 150.8 | 177.7 | -61.6 | -36.6 | 0 | 0 | 0 | 111.3 | Q494 E495 R496 P580 | D492-Q494 PolarHBondContact O-N 3.32Å; D492-Q494 VanDerWaalsContact O-N 3.12Å; D492-E495 PolarHBondContact O-N 2.97Å; D492-R496 PolarHBondContact O-N 3.21Å; D492-P580 WeakPolarHBondContact OD1-CB 2.99Å; D492-P580 WeakPolarHBondContact OD1-CG 3.28Å | ||
| 493 | V | 73.6 | Confident | 83.2 | Confident | 80 Ų | 80 | 46.3 Ų | 46.3 | 49% | 0.485 | 25% | 0.246 | S | C | . | . | G | 310 helix | trans | -55.2 | -37.3 | -175.2 | 179.3 | 0 | 0 | 0 | 0 | 112.1 | E495 | V493-E495 VanDerWaalsContact C-N 3.27Å; V493-E495 PolarHBondContact O-N 2.93Å |
| 494 | Q | 72.6 | Confident | 83 | Confident | 172 Ų | 172 | 48.8 Ų | 48.8 | 80% | 0.804 | 26% | 0.263 | S | S | * | . | G | 310 helix | trans | -70.1 | -23.9 | -179.8 | -57.5 | 180 | 18.5 | 0 | 0 | 112.9 | D492 | D492-Q494 PolarHBondContact O-N 3.32Å; D492-Q494 VanDerWaalsContact O-N 3.12Å |
| 495 | E | 76.1 | Confident | 83 | Confident | 53 Ų | 53 | 50.2 Ų | 50.2 | 25% | 0.248 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -98.5 | -8.4 | -174.4 | -72.6 | -161 | 164.3 | 0 | 0 | 113.5 | M284 D492 V493 S497 L498 A499 | M284-E495 HydrophobicContact CE-CB 3.53Å; M284-E495 HydrophobicContact CE-CG 4.09Å; M284-E495 WeakPolarHBondContact CE-O 3.35Å; M284-E495 WeakPolarHBondContact CE-OE2 3.23Å; D492-E495 PolarHBondContact O-N 2.97Å; V493-E495 VanDerWaalsContact C-N 3.27Å; V493-E495 PolarHBondContact O-N 2.93Å; E495-S497 VanDerWaalsContact C-N 3.32Å; E495-S497 PolarHBondContact O-N 2.69Å; E495-L498 WeakPolarHBondContact O-CB 3.44Å; E495-L498 PolarHBondContact O-N 3.43Å; E495-L498 VanDerWaalsContact O-N 3.09Å; E495-A499 WeakPolarHBondContact O-CB 3.03Å; E495-A499 PolarHBondContact O-N 3.47Å |
| 496 | R | 80.3 | Confident | 83.3 | Confident | 57 Ų | 57 | 49.7 Ų | 49.7 | 22% | 0.215 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -53.5 | -42.4 | -176.5 | -76.8 | 178.1 | 173.6 | 177.8 | -3.3 | 114.8 | L488 V491 D492 A499 L500 E581 | L488-R496 HydrophobicContact CD2-CB 3.87Å; L488-R496 HydrophobicContact CD2-CG 4.08Å; L488-R496 PolarHBondContact O-NE 3.18Å; L488-R496 PolarHBondContact O-NH2 2.72Å; V491-R496 HydrophobicContact CG2-CG 3.86Å; D492-R496 PolarHBondContact O-N 3.21Å; R496-A499 PolarHBondContact O-N 2.81Å; R496-L500 WeakPolarHBondContact O-CB 2.99Å; R496-L500 PolarHBondContact O-N 3.49Å; R496-E581 IonicContact CZ-OE1 2.77Å; R496-E581 IonicContact NH1-OE1 3.54Å; R496-E581 PolarHBondContact NH1-OE1 3.39Å; R496-E581 IonicContact NH2-OE1 3.69Å; R496-E581 PolarHBondContact NH2-OE1 3.02Å; R496-E581 IonicContact NH2-OE2 2.61Å |
| 497 | S | 71.9 | Confident | 83.4 | Confident | 85 Ų | 85 | 49.7 Ų | 49.7 | 59% | 0.594 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -66.2 | -42.1 | 179.3 | 55.9 | 0 | 0 | 0 | 0 | 111.4 | E495 S501 | E495-S497 VanDerWaalsContact C-N 3.32Å; E495-S497 PolarHBondContact O-N 2.69Å; S497-S501 VanDerWaalsContact O-CB 3.31Å; S497-S501 WeakPolarHBondContact O-CB 3.41Å; S497-S501 PolarHBondContact O-N 3.35Å; S497-S501 PolarHBondContact O-OG 2.88Å |
| 498 | L | 78.1 | Confident | 83.5 | Confident | 43 Ų | 43 | 50.7 Ų | 50.7 | 23% | 0.225 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66 | -43.2 | 175.2 | 175.8 | 63.8 | 0 | 0 | 0 | 111 | L277 A280 M284 E495 S501 L502 | L277-L498 HydrophobicContact CD1-CD1 3.67Å; L277-L498 HydrophobicContact CD1-CD2 4.09Å; A280-L498 HydrophobicContact CB-CD2 3.75Å; M284-L498 HydrophobicContact CE-CB 3.88Å; M284-L498 HydrophobicContact CE-CD2 3.66Å; M284-L498 HydrophobicContact CE-CG 3.7Å; M284-L498 HydrophobicContact SD-CD2 4.07Å; M284-L498 HydrophobicContact SD-CG 3.92Å; E495-L498 WeakPolarHBondContact O-CB 3.44Å; E495-L498 PolarHBondContact O-N 3.43Å; E495-L498 VanDerWaalsContact O-N 3.09Å; L498-S501 PolarHBondContact O-N 3.21Å; L498-L502 VanDerWaalsContact O-CB 3.27Å; L498-L502 WeakPolarHBondContact O-CB 3.47Å; L498-L502 PolarHBondContact O-N 3.41Å |
| 499 | A | 80.6 | Confident | 83.9 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.8 | -48.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | M284 Y290 V491 E495 R496 S501 L502 A503 | M284-A499 HydrophobicContact CE-CB 3.95Å; M284-A499 HydrophobicContact SD-CB 4.2Å; Y290-A499 HydrophobicContact CD2-CB 4.43Å; Y290-A499 HydrophobicContact CE2-CB 3.76Å; Y290-A499 PolarHBondContact OH-O 3.21Å; V491-A499 HydrophobicContact CB-CB 4.39Å; V491-A499 HydrophobicContact CG1-CB 4.01Å; V491-A499 HydrophobicContact CG2-CB 3.82Å; E495-A499 WeakPolarHBondContact O-CB 3.03Å; E495-A499 PolarHBondContact O-N 3.47Å; R496-A499 PolarHBondContact O-N 2.81Å; A499-S501 VanDerWaalsContact C-N 3.33Å; A499-S501 PolarHBondContact O-N 2.6Å; A499-L502 PolarHBondContact O-N 3.31Å; A499-A503 VanDerWaalsContact O-CB 3.3Å; A499-A503 WeakPolarHBondContact O-CB 3.38Å; A499-A503 PolarHBondContact O-N 2.95Å |
| 500 | L | 78.9 | Confident | 84.3 | Confident | 67 Ų | 67 | 51.6 Ų | 51.6 | 35% | 0.351 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64 | -40.1 | 176.9 | -174.7 | 63.1 | 0 | 0 | 0 | 111.8 | W297 M484 R496 A503 S504 | W297-L500 HydrophobicContact CH2-CD1 4.1Å; W297-L500 HydrophobicContact CZ3-CD1 4.28Å; M484-L500 HydrophobicContact SD-CD1 3.7Å; R496-L500 WeakPolarHBondContact O-CB 2.99Å; R496-L500 PolarHBondContact O-N 3.49Å; L500-A503 PolarHBondContact O-N 2.92Å; L500-S504 VanDerWaalsContact O-CB 3.3Å; L500-S504 WeakPolarHBondContact O-CB 3.46Å; L500-S504 PolarHBondContact O-N 3.23Å |
| 501 | S | 82.4 | Confident | 84.5 | Confident | 75 Ų | 75 | 51.5 Ų | 51.5 | 52% | 0.524 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -66.6 | -42.8 | 178.5 | -58.7 | 0 | 0 | 0 | 0 | 111.8 | S497 L498 A499 S504 F505 | S497-S501 VanDerWaalsContact O-CB 3.31Å; S497-S501 WeakPolarHBondContact O-CB 3.41Å; S497-S501 PolarHBondContact O-N 3.35Å; S497-S501 PolarHBondContact O-OG 2.88Å; L498-S501 PolarHBondContact O-N 3.21Å; A499-S501 VanDerWaalsContact C-N 3.33Å; A499-S501 PolarHBondContact O-N 2.6Å; S501-S504 PolarHBondContact O-N 3.49Å; S501-F505 WeakPolarHBondContact O-CB 3.18Å; S501-F505 PolarHBondContact O-N 3.16Å |
| 502 | L | 87.4 | Confident | 84.9 | Confident | 18 Ų | 18 | 53.6 Ų | 53.6 | 9% | 0.094 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.6 | -43.6 | 176.4 | 177.4 | 63.3 | 0 | 0 | 0 | 111 | I281 M284 L285 Y290 L498 A499 F505 L506 | I281-L502 HydrophobicContact CG2-CD1 4.31Å; I281-L502 HydrophobicContact CG2-CD2 4.07Å; M284-L502 HydrophobicContact CB-CD2 4.29Å; M284-L502 HydrophobicContact SD-CD2 4.07Å; L285-L502 HydrophobicContact CD2-CD2 4.43Å; L285-L502 HydrophobicContact CG-CD2 4.44Å; Y290-L502 HydrophobicContact CE1-CD2 4.09Å; Y290-L502 WeakPolarHBondContact OH-CB 3.33Å; Y290-L502 WeakPolarHBondContact OH-CD2 3.36Å; Y290-L502 WeakPolarHBondContact OH-CG 3.37Å; L498-L502 VanDerWaalsContact O-CB 3.27Å; L498-L502 WeakPolarHBondContact O-CB 3.47Å; L498-L502 PolarHBondContact O-N 3.41Å; A499-L502 PolarHBondContact O-N 3.31Å; L502-F505 PolarHBondContact O-N 2.88Å; L502-L506 HydrophobicContact CD1-CD1 4.05Å; L502-L506 HydrophobicContact CD1-CG 4.16Å; L502-L506 HydrophobicContact CG-CD1 4.04Å; L502-L506 WeakPolarHBondContact O-CB 3.32Å; L502-L506 VanDerWaalsContact O-CG 3.26Å; L502-L506 WeakPolarHBondContact O-CG 3.24Å; L502-L506 PolarHBondContact O-N 3.32Å |
| 503 | A | 91.2 | Very high | 85.6 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.9 | -46.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | Y290 V294 W297 A499 L500 L506 T507 | Y290-A503 PolarHBondContact OH-N 2.85Å; V294-A503 HydrophobicContact CG1-CB 4.29Å; V294-A503 HydrophobicContact CG2-CB 3.64Å; W297-A503 HydrophobicContact CE3-CB 3.98Å; W297-A503 HydrophobicContact CZ3-CB 3.61Å; A499-A503 VanDerWaalsContact O-CB 3.3Å; A499-A503 WeakPolarHBondContact O-CB 3.38Å; A499-A503 PolarHBondContact O-N 2.95Å; L500-A503 PolarHBondContact O-N 2.92Å; A503-L506 PolarHBondContact O-N 3.18Å; A503-T507 WeakPolarHBondContact O-CB 3.33Å; A503-T507 PolarHBondContact O-N 3.03Å; A503-T507 PolarHBondContact O-OG1 3.36Å |
| 504 | S | 87.7 | Confident | 86.6 | Confident | 52 Ų | 52 | 48.7 Ų | 48.7 | 36% | 0.364 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.6 | -45.9 | 175.8 | -179.2 | 0 | 0 | 0 | 0 | 111.9 | L500 S501 L506 T507 N508 | L500-S504 VanDerWaalsContact O-CB 3.3Å; L500-S504 WeakPolarHBondContact O-CB 3.46Å; L500-S504 PolarHBondContact O-N 3.23Å; S501-S504 PolarHBondContact O-N 3.49Å; S504-L506 PolarHBondContact O-N 2.02Å; S504-T507 PolarHBondContact O-N 2.89Å; S504-N508 PolarHBondContact O-N 3.45Å; S504-N508 PolarHBondContact O-ND2 3.32Å |
| 505 | F | 89.9 | Confident | 87.6 | Confident | 76 Ų | 76 | 40.5 Ų | 40.5 | 33% | 0.333 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -57.8 | -48.8 | 176.4 | 175 | -96.8 | 0 | 0 | 0 | 112.2 | T63 S501 L502 N508 I509 | T63-F505 HydrophobicContact CG2-CD2 3.54Å; T63-F505 HydrophobicContact CG2-CE2 3.84Å; T63-F505 HydrophobicContact CG2-CG 4.49Å; S501-F505 WeakPolarHBondContact O-CB 3.18Å; S501-F505 PolarHBondContact O-N 3.16Å; L502-F505 PolarHBondContact O-N 2.88Å; F505-N508 PolarHBondContact O-N 3.36Å; F505-I509 HydrophobicContact CD1-CD1 4.07Å; F505-I509 HydrophobicContact CD2-CD1 4.15Å; F505-I509 HydrophobicContact CE1-CD1 3.47Å; F505-I509 VanDerWaalsContact CE1-CD1 3.47Å; F505-I509 HydrophobicContact CE2-CD1 3.56Å; F505-I509 HydrophobicContact CG-CD1 4.38Å; F505-I509 HydrophobicContact CZ-CD1 3.18Å; F505-I509 WeakPolarHBondContact O-CG1 3.47Å; F505-I509 PolarHBondContact O-N 3.39Å; F505-I509 VanDerWaalsContact O-N 3.1Å |
| 506 | L | 93.1 | Very high | 88.5 | Confident | 35 Ų | 35 | 38.1 Ų | 38.1 | 18% | 0.183 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65 | -39.3 | 177.7 | -69.3 | 171.7 | 0 | 0 | 0 | 111.8 | L285 V294 I298 L502 A503 S504 N508 I509 L510 | L285-L506 HydrophobicContact CD2-CD1 4.22Å; V294-L506 HydrophobicContact CG1-CB 4.26Å; V294-L506 HydrophobicContact CG1-CD1 3.99Å; I298-L506 HydrophobicContact CD1-CB 4.21Å; L502-L506 HydrophobicContact CD1-CD1 4.05Å; L502-L506 HydrophobicContact CD1-CG 4.16Å; L502-L506 HydrophobicContact CG-CD1 4.04Å; L502-L506 WeakPolarHBondContact O-CB 3.32Å; L502-L506 VanDerWaalsContact O-CG 3.26Å; L502-L506 WeakPolarHBondContact O-CG 3.24Å; L502-L506 PolarHBondContact O-N 3.32Å; A503-L506 PolarHBondContact O-N 3.18Å; S504-L506 PolarHBondContact O-N 2.02Å; L506-N508 VanDerWaalsContact C-N 3.35Å; L506-I509 PolarHBondContact O-N 3.07Å; L506-L510 HydrophobicContact CD2-CD1 4.47Å; L506-L510 WeakPolarHBondContact O-CB 3.21Å; L506-L510 PolarHBondContact O-N 3.2Å |
| 507 | T | 93.4 | Very high | 89.2 | Confident | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.9 | -35.8 | 177.2 | -54.2 | 0 | 0 | 0 | 0 | 112 | A503 S504 G511 F512 | A503-T507 WeakPolarHBondContact O-CB 3.33Å; A503-T507 PolarHBondContact O-N 3.03Å; A503-T507 PolarHBondContact O-OG1 3.36Å; S504-T507 PolarHBondContact O-N 2.89Å; T507-G511 CarbonylContact O-C 3.5Å; T507-G511 WeakPolarHBondContact O-CA 3.1Å; T507-G511 PolarHBondContact O-N 3.34Å; T507-F512 HydrophobicContact CG2-CD2 3.98Å; T507-F512 HydrophobicContact CG2-CE2 3.77Å; T507-F512 PolarHBondContact O-N 3.16Å |
| 508 | N | 91.7 | Very high | 90.3 | Very high | 21 Ų | 21 | 36.1 Ų | 36.1 | 11% | 0.112 | 20% | 0.196 | C | C | . | . | I | π-helix | trans | -67.6 | -48.5 | 174 | -70.3 | -24.4 | 0 | 0 | 0 | 111.6 | T63 S504 F505 L506 F512 I513 | T63-N508 HydrophobicContact CG2-CB 4.22Å; T63-N508 VanDerWaalsContact OG1-CB 3.26Å; T63-N508 WeakPolarHBondContact OG1-CB 3.39Å; T63-N508 PolarHBondContact OG1-ND2 3.16Å; S504-N508 PolarHBondContact O-N 3.45Å; S504-N508 PolarHBondContact O-ND2 3.32Å; F505-N508 PolarHBondContact O-N 3.36Å; L506-N508 VanDerWaalsContact C-N 3.35Å; N508-F512 PolarHBondContact O-N 2.89Å; N508-F512 VanDerWaalsContact OD1-CD2 3.3Å; N508-F512 WeakPolarHBondContact OD1-CD2 3.09Å; N508-I513 WeakPolarHBondContact O-CB 3.15Å; N508-I513 WeakPolarHBondContact O-CD1 3.49Å; N508-I513 VanDerWaalsContact O-CG1 3.24Å; N508-I513 WeakPolarHBondContact O-CG1 3.25Å; N508-I513 PolarHBondContact O-N 2.93Å |
| 509 | I | 93 | Very high | 91.2 | Very high | 70 Ų | 70 | 34.1 Ų | 34.1 | 36% | 0.359 | 19% | 0.185 | S | C | . | . | I | π-helix | trans | -69 | -42.9 | -176.3 | -67.4 | 179.5 | 0 | 0 | 0 | 112.8 | T63 F505 L506 P514 | T63-I509 HydrophobicContact CG2-CD1 4.49Å; T63-I509 HydrophobicContact CG2-CG1 4.24Å; F505-I509 HydrophobicContact CD1-CD1 4.07Å; F505-I509 HydrophobicContact CD2-CD1 4.15Å; F505-I509 HydrophobicContact CE1-CD1 3.47Å; F505-I509 VanDerWaalsContact CE1-CD1 3.47Å; F505-I509 HydrophobicContact CE2-CD1 3.56Å; F505-I509 HydrophobicContact CG-CD1 4.38Å; F505-I509 HydrophobicContact CZ-CD1 3.18Å; F505-I509 WeakPolarHBondContact O-CG1 3.47Å; F505-I509 PolarHBondContact O-N 3.39Å; F505-I509 VanDerWaalsContact O-N 3.1Å; L506-I509 PolarHBondContact O-N 3.07Å; I509-P514 VanDerWaalsContact O-CD 3.27Å; I509-P514 WeakPolarHBondContact O-CD 3.31Å |
| 510 | L | 94.9 | Very high | 91.8 | Very high | 88 Ų | 88 | 34.1 Ų | 34.1 | 46% | 0.461 | 19% | 0.185 | S | C | . | . | I | π-helix | trans | -103 | -10.5 | -172.2 | -59.3 | 176.2 | 0 | 0 | 0 | 113.3 | I298 Y302 L506 P514 | I298-L510 HydrophobicContact CD1-CB 4.2Å; I298-L510 HydrophobicContact CD1-CD1 4.01Å; I298-L510 HydrophobicContact CG2-CB 3.82Å; Y302-L510 WeakPolarHBondContact CE2-O 3.29Å; Y302-L510 PolarHBondContact OH-O 3.21Å; L506-L510 HydrophobicContact CD2-CD1 4.47Å; L506-L510 WeakPolarHBondContact O-CB 3.21Å; L506-L510 PolarHBondContact O-N 3.2Å; L510-P514 VanDerWaalsContact C-CG 3.42Å; L510-P514 WeakPolarHBondContact O-CG 3.42Å |
| 511 | G | 94.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | I | π-helix | trans | -115.5 | -77.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | S301 T507 I513 P514 S515 | S301-G511 VanDerWaalsContact OG-CA 3.26Å; S301-G511 WeakPolarHBondContact OG-CA 3.06Å; T507-G511 CarbonylContact O-C 3.5Å; T507-G511 WeakPolarHBondContact O-CA 3.1Å; T507-G511 PolarHBondContact O-N 3.34Å; G511-I513 PolarHBondContact O-N 2.98Å; G511-P514 WeakPolarHBondContact O-CD 3.31Å; G511-S515 WeakPolarHBondContact O-CB 3.34Å; G511-S515 PolarHBondContact O-N 3.21Å |
| 512 | F | 92.6 | Very high | 93.1 | Very high | 50 Ų | 50 | 33.7 Ų | 33.7 | 22% | 0.219 | 18% | 0.177 | C | C | . | . | I | π-helix | trans | -62.8 | -36.9 | -172.1 | -72.3 | -72.7 | 0 | 0 | 0 | 114.2 | I304 T507 N508 P516 | I304-F512 HydrophobicContact CB-CE1 4.19Å; I304-F512 HydrophobicContact CG2-CE1 4.09Å; T507-F512 HydrophobicContact CG2-CD2 3.98Å; T507-F512 HydrophobicContact CG2-CE2 3.77Å; T507-F512 PolarHBondContact O-N 3.16Å; N508-F512 PolarHBondContact O-N 2.89Å; N508-F512 VanDerWaalsContact OD1-CD2 3.3Å; N508-F512 WeakPolarHBondContact OD1-CD2 3.09Å; F512-P516 WeakPolarHBondContact O-CD 3.28Å; F512-P516 WeakPolarHBondContact O-CG 3.28Å |
| 513 | I | 93 | Very high | 93.4 | Very high | 28 Ų | 28 | 32.8 Ų | 32.8 | 14% | 0.144 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -55.1 | 178.4 | -71.3 | 165.6 | 0 | 0 | 0 | 112.8 | A56 D59 I60 N508 G511 S515 | A56-I513 HydrophobicContact CB-CG2 4.26Å; D59-I513 HydrophobicContact CB-CD1 4.35Å; D59-I513 HydrophobicContact CB-CG1 3.75Å; I60-I513 HydrophobicContact CB-CD1 4.38Å; I60-I513 HydrophobicContact CD1-CG2 4.23Å; I60-I513 HydrophobicContact CG1-CD1 3.48Å; I60-I513 VanDerWaalsContact CG1-CD1 3.48Å; I60-I513 HydrophobicContact CG1-CG1 3.87Å; I60-I513 HydrophobicContact CG1-CG2 4.19Å; N508-I513 WeakPolarHBondContact O-CB 3.15Å; N508-I513 WeakPolarHBondContact O-CD1 3.49Å; N508-I513 VanDerWaalsContact O-CG1 3.24Å; N508-I513 WeakPolarHBondContact O-CG1 3.25Å; N508-I513 PolarHBondContact O-N 2.93Å; G511-I513 PolarHBondContact O-N 2.98Å; I513-S515 PolarHBondContact O-N 3.26Å |
| 514 | P | 94.9 | Very high | 93.5 | Very high | 31 Ų | 31 | 33.6 Ų | 33.6 | 20% | 0.201 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -74.6 | -24.2 | -177.3 | 27 | -35.6 | 0 | 0 | 0 | 113.5 | Y302 I509 L510 G511 I517 I518 | Y302-P514 WeakPolarHBondContact OH-CG 3.34Å; I509-P514 VanDerWaalsContact O-CD 3.27Å; I509-P514 WeakPolarHBondContact O-CD 3.31Å; L510-P514 VanDerWaalsContact C-CG 3.42Å; L510-P514 WeakPolarHBondContact O-CG 3.42Å; G511-P514 WeakPolarHBondContact O-CD 3.31Å; P514-I517 PolarHBondContact O-N 3.45Å; P514-I518 HydrophobicContact CB-CD1 4.1Å; P514-I518 WeakPolarHBondContact O-CB 3.46Å; P514-I518 VanDerWaalsContact O-CG1 3.3Å; P514-I518 WeakPolarHBondContact O-CG1 3.3Å; P514-I518 PolarHBondContact O-N 2.91Å |
| 515 | S | 95 | Very high | 93.7 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63 | -53.2 | -171.7 | 179.2 | 0 | 0 | 0 | 0 | 114.2 | Y302 G306 G511 I513 I517 I518 F519 | Y302-S515 WeakPolarHBondContact CA-OG 3.22Å; Y302-S515 VanDerWaalsContact CD1-OG 3.32Å; Y302-S515 WeakPolarHBondContact CD1-OG 3.47Å; Y302-S515 PolarHBondContact O-OG 3.36Å; G306-S515 WeakPolarHBondContact CA-OG 3.4Å; G306-S515 PolarHBondContact N-OG 3.37Å; G511-S515 WeakPolarHBondContact O-CB 3.34Å; G511-S515 PolarHBondContact O-N 3.21Å; I513-S515 PolarHBondContact O-N 3.26Å; S515-I517 VanDerWaalsContact C-N 3.27Å; S515-I517 PolarHBondContact O-N 2.9Å; S515-I518 PolarHBondContact O-N 3.25Å; S515-F519 WeakPolarHBondContact O-CD2 2.81Å; S515-F519 PolarHBondContact O-N 3.38Å |
| 516 | P | 93.4 | Very high | 93.8 | Very high | 3 Ų | 3 | 30.7 Ų | 30.7 | 2% | 0.019 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -57.4 | -39.4 | 174.2 | -19.1 | 26.6 | 0 | 0 | 0 | 112.5 | G305 Y310 F512 F519 G520 | G305-P516 WeakPolarHBondContact O-CG 3.26Å; Y310-P516 HydrophobicContact CE2-CB 4.39Å; Y310-P516 VanDerWaalsContact CE2-O 3.25Å; Y310-P516 WeakPolarHBondContact CE2-O 3.44Å; Y310-P516 PolarHBondContact OH-O 3.05Å; F512-P516 WeakPolarHBondContact O-CD 3.28Å; F512-P516 WeakPolarHBondContact O-CG 3.28Å; P516-F519 PolarHBondContact O-N 2.98Å; P516-G520 PolarHBondContact O-N 2.98Å |
| 517 | I | 94.9 | Very high | 93.6 | Very high | 47 Ų | 47 | 30 Ų | 30 | 24% | 0.241 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.2 | -47.2 | -179.4 | -57.9 | 172.9 | 0 | 0 | 0 | 110.5 | A56 P514 S515 G520 L521 | A56-I517 HydrophobicContact CB-CD1 4.22Å; A56-I517 HydrophobicContact CB-CG1 4.48Å; P514-I517 PolarHBondContact O-N 3.45Å; S515-I517 VanDerWaalsContact C-N 3.27Å; S515-I517 PolarHBondContact O-N 2.9Å; I517-G520 PolarHBondContact O-N 3.19Å; I517-L521 HydrophobicContact CG2-CD1 4.47Å; I517-L521 WeakPolarHBondContact O-CG 3.11Å; I517-L521 PolarHBondContact O-N 3.45Å |
| 518 | I | 96.2 | Very high | 93.1 | Very high | 54 Ų | 54 | 32.1 Ų | 32.1 | 28% | 0.277 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -63.3 | -46.5 | 178.9 | -71.5 | 164.9 | 0 | 0 | 0 | 110.8 | Y302 P514 S515 G520 L521 I522 F559 | Y302-I518 HydrophobicContact CE1-CD1 3.81Å; P514-I518 HydrophobicContact CB-CD1 4.1Å; P514-I518 WeakPolarHBondContact O-CB 3.46Å; P514-I518 VanDerWaalsContact O-CG1 3.3Å; P514-I518 WeakPolarHBondContact O-CG1 3.3Å; P514-I518 PolarHBondContact O-N 2.91Å; S515-I518 PolarHBondContact O-N 3.25Å; I518-G520 VanDerWaalsContact C-N 3.32Å; I518-G520 PolarHBondContact O-N 3Å; I518-L521 PolarHBondContact O-N 3.1Å; I518-I522 HydrophobicContact CG2-CD1 3.92Å; I518-I522 HydrophobicContact CG2-CG1 4.48Å; I518-I522 VanDerWaalsContact O-CG1 3.31Å; I518-I522 WeakPolarHBondContact O-CG1 3.46Å; I518-I522 PolarHBondContact O-N 3.08Å; I518-F559 HydrophobicContact CG2-CE2 4.3Å; I518-F559 HydrophobicContact CG2-CZ 4.22Å |
| 519 | F | 95.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.8 | -36.4 | 177.4 | -87 | -89.6 | 0 | 0 | 0 | 112.1 | Y302 Y307 Y310 S515 P516 L521 I522 I523 Y552 N556 F559 | Y302-F519 HydrophobicContact CD1-CE2 4.2Å; Y307-F519 HydrophobicContact CD2-CE1 4.43Å; Y310-F519 HydrophobicContact CD2-CB 3.73Å; Y310-F519 HydrophobicContact CE2-CB 3.92Å; S515-F519 WeakPolarHBondContact O-CD2 2.81Å; S515-F519 PolarHBondContact O-N 3.38Å; P516-F519 PolarHBondContact O-N 2.98Å; F519-L521 VanDerWaalsContact C-N 3.35Å; F519-L521 PolarHBondContact O-N 3.06Å; F519-I522 PolarHBondContact O-N 3.32Å; F519-I523 WeakPolarHBondContact O-CB 3.47Å; F519-I523 WeakPolarHBondContact O-CD1 2.91Å; F519-I523 WeakPolarHBondContact O-CG1 2.9Å; F519-I523 PolarHBondContact O-N 3.07Å; F519-Y552 AromaticContact CD1-CD2 3.69Å; F519-Y552 HydrophobicContact CD1-CD2 3.69Å; F519-Y552 AromaticContact CD1-CE2 3.64Å; F519-Y552 HydrophobicContact CD1-CE2 3.64Å; F519-Y552 AromaticContact CE1-CD2 3.97Å; F519-Y552 HydrophobicContact CE1-CD2 3.97Å; F519-Y552 AromaticContact CE1-CE2 4Å; F519-Y552 HydrophobicContact CE1-CE2 4Å; F519-N556 HydrophobicContact CE1-CB 4.12Å; F519-N556 HydrophobicContact CZ-CB 3.73Å; F519-F559 HydrophobicContact CE2-CD2 4.23Å; F519-F559 HydrophobicContact CE2-CE2 4.25Å; F519-F559 HydrophobicContact CZ-CD2 4.43Å |
| 520 | G | 93.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -57.3 | -46.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | P516 I517 I518 I522 I523 D524 | P516-G520 PolarHBondContact O-N 2.98Å; I517-G520 PolarHBondContact O-N 3.19Å; I518-G520 VanDerWaalsContact C-N 3.32Å; I518-G520 PolarHBondContact O-N 3Å; G520-I522 PolarHBondContact O-N 3.23Å; G520-I523 PolarHBondContact O-N 3.14Å; G520-D524 WeakPolarHBondContact O-CB 3.12Å; G520-D524 PolarHBondContact O-N 2.01Å |
| 521 | L | 94.6 | Very high | 90.4 | Very high | 98 Ų | 98 | 31.1 Ų | 31.1 | 51% | 0.513 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -64.1 | -38.9 | 175.1 | -68.6 | 170.7 | 0 | 0 | 0 | 112.9 | I517 I518 F519 I523 S525 | I517-L521 HydrophobicContact CG2-CD1 4.47Å; I517-L521 WeakPolarHBondContact O-CG 3.11Å; I517-L521 PolarHBondContact O-N 3.45Å; I518-L521 PolarHBondContact O-N 3.1Å; F519-L521 VanDerWaalsContact C-N 3.35Å; F519-L521 PolarHBondContact O-N 3.06Å; L521-I523 VanDerWaalsContact C-N 3.34Å; L521-S525 WeakPolarHBondContact O-CB 3.02Å; L521-S525 PolarHBondContact O-N 3.44Å |
| 522 | I | 95.4 | Very high | 89 | Confident | 35 Ų | 35 | 32.9 Ų | 32.9 | 18% | 0.179 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61 | -45.5 | 175.9 | -71.5 | 169.1 | 0 | 0 | 0 | 110.3 | I518 F519 G520 S525 K551 | I518-I522 HydrophobicContact CG2-CD1 3.92Å; I518-I522 HydrophobicContact CG2-CG1 4.48Å; I518-I522 VanDerWaalsContact O-CG1 3.31Å; I518-I522 WeakPolarHBondContact O-CG1 3.46Å; I518-I522 PolarHBondContact O-N 3.08Å; F519-I522 PolarHBondContact O-N 3.32Å; G520-I522 PolarHBondContact O-N 3.23Å; I522-S525 WeakPolarHBondContact O-CB 3.32Å; I522-S525 PolarHBondContact O-N 2.89Å; I522-S525 PolarHBondContact O-OG 3.25Å; I522-K551 HydrophobicContact CG2-CB 3.81Å |
| 523 | I | 93.4 | Very high | 87.3 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.8 | -47.4 | 179.7 | -66.9 | 166.5 | 0 | 0 | 0 | 110.7 | Y310 F519 G520 L521 S525 A526 Y543 F548 Y552 | Y310-I523 HydrophobicContact CD1-CD1 3.59Å; Y310-I523 HydrophobicContact CD2-CD1 3.81Å; Y310-I523 HydrophobicContact CE1-CD1 4.3Å; Y310-I523 HydrophobicContact CE2-CD1 4.49Å; Y310-I523 HydrophobicContact CG-CD1 3.3Å; F519-I523 WeakPolarHBondContact O-CB 3.47Å; F519-I523 WeakPolarHBondContact O-CD1 2.91Å; F519-I523 WeakPolarHBondContact O-CG1 2.9Å; F519-I523 PolarHBondContact O-N 3.07Å; G520-I523 PolarHBondContact O-N 3.14Å; L521-I523 VanDerWaalsContact C-N 3.34Å; I523-S525 PolarHBondContact O-N 2.84Å; I523-A526 WeakPolarHBondContact O-CB 3.32Å; I523-A526 PolarHBondContact O-N 3.46Å; I523-Y543 HydrophobicContact CG2-CD1 4.22Å; I523-Y543 HydrophobicContact CG2-CE1 3.52Å; I523-F548 HydrophobicContact CB-CE2 4.38Å; I523-F548 HydrophobicContact CD1-CE2 4.25Å; I523-F548 HydrophobicContact CD1-CZ 4.33Å; I523-F548 HydrophobicContact CG1-CD2 4.41Å; I523-F548 HydrophobicContact CG1-CE2 3.62Å; I523-F548 HydrophobicContact CG1-CZ 3.98Å; I523-F548 HydrophobicContact CG2-CE1 4.24Å; I523-F548 HydrophobicContact CG2-CE2 4.17Å; I523-F548 HydrophobicContact CG2-CZ 3.84Å; I523-Y552 HydrophobicContact CD1-CD2 4.4Å; I523-Y552 HydrophobicContact CD1-CE2 4.39Å; I523-Y552 HydrophobicContact CG1-CD2 4.33Å |
| 524 | D | 92 | Very high | 85.9 | Confident | 17 Ų | 17 | 31.7 Ų | 31.7 | 9% | 0.091 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -57.5 | -32.8 | 177.5 | -70.7 | -16.5 | 0 | 0 | 0 | 111.1 | S48 S49 G520 A526 C527 W530 | S48-D524 WeakPolarHBondContact CB-OD1 3.35Å; S48-D524 PolarHBondContact N-OD1 3.36Å; S48-D524 PolarHBondContact N-OD2 2.89Å; S48-D524 PolarHBondContact OG-OD1 3.08Å; S49-D524 WeakPolarHBondContact CB-OD2 3.5Å; S49-D524 PolarHBondContact N-OD2 2.77Å; S49-D524 PolarHBondContact OG-OD2 3.41Å; G520-D524 WeakPolarHBondContact O-CB 3.12Å; G520-D524 PolarHBondContact O-N 2.01Å; D524-A526 PolarHBondContact O-N 2.83Å; D524-C527 WeakPolarHBondContact O-CB 3.44Å; D524-C527 PolarHBondContact O-N 2.98Å; D524-C527 VanDerWaalsContact O-N 3.08Å; D524-W530 HydrophobicContact CB-CH2 3.74Å; D524-W530 HydrophobicContact CB-CZ2 4.05Å |
| 525 | S | 92.4 | Very high | 84.3 | Confident | 63 Ų | 63 | 37.5 Ų | 37.5 | 44% | 0.441 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -14.2 | 176.1 | 86.2 | 0 | 0 | 0 | 0 | 114.9 | L521 I522 I523 K551 | L521-S525 WeakPolarHBondContact O-CB 3.02Å; L521-S525 PolarHBondContact O-N 3.44Å; I522-S525 WeakPolarHBondContact O-CB 3.32Å; I522-S525 PolarHBondContact O-N 2.89Å; I522-S525 PolarHBondContact O-OG 3.25Å; I523-S525 PolarHBondContact O-N 2.84Å; S525-K551 PolarHBondContact O-NZ 2.96Å; S525-K551 WeakPolarHBondContact OG-CD 3.34Å; S525-K551 PolarHBondContact OG-NZ 2.93Å |
| 526 | A | 92.1 | Very high | 82.9 | Confident | 3 Ų | 3 | 42.1 Ų | 42.1 | 3% | 0.025 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 2.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112 | I523 D524 I528 Y543 D544 F548 | I523-A526 WeakPolarHBondContact O-CB 3.32Å; I523-A526 PolarHBondContact O-N 3.46Å; D524-A526 PolarHBondContact O-N 2.83Å; A526-I528 PolarHBondContact O-N 3.39Å; A526-Y543 WeakPolarHBondContact O-CA 3.36Å; A526-D544 PolarHBondContact O-N 3.47Å; A526-F548 HydrophobicContact CB-CB 3.76Å; A526-F548 HydrophobicContact CB-CG 4.36Å |
| 527 | C | 88.6 | Confident | 81.5 | Confident | 22 Ų | 22 | 45.6 Ų | 45.6 | 15% | 0.149 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 130.9 | 175.8 | -172.7 | 0 | 0 | 0 | 0 | 111.1 | D524 A529 W530 C540 Y543 | D524-C527 WeakPolarHBondContact O-CB 3.44Å; D524-C527 PolarHBondContact O-N 2.98Å; D524-C527 VanDerWaalsContact O-N 3.08Å; C527-A529 PolarHBondContact SG-O 3.36Å; C527-A529 VanDerWaalsContact SG-O 3.36Å; C527-W530 HydrophobicContact CB-CD2 4.43Å; C527-W530 HydrophobicContact CB-CH2 4.34Å; C527-W530 HydrophobicContact CB-CZ2 3.67Å; C527-W530 VanDerWaalsContact SG-CE2 3.52Å; C527-C540 WeakPolarHBondContact CA-SG 3.38Å; C527-C540 HydrophobicContact CB-CB 3.68Å; C527-C540 WeakPolarHBondContact CB-SG 3.34Å; C527-C540 WeakPolarHBondContact SG-CB 3.16Å; C527-C540 CovalentContact SG-SG 2.01Å; C527-C540 PolarHBondContact SG-SG 3.12Å; C527-Y543 HydrophobicContact CB-CD1 4.5Å; C527-Y543 HydrophobicContact CB-CE1 4.48Å |
| 528 | I | 83.9 | Confident | 80.5 | Confident | 44 Ų | 44 | 43.8 Ų | 43.8 | 23% | 0.226 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | -50.6 | 170.4 | -59.7 | 162.1 | 0 | 0 | 0 | 109.4 | F390 W393 A526 L542 Y543 D544 | F390-I528 HydrophobicContact CE2-CD1 4.25Å; F390-I528 HydrophobicContact CE2-CG2 3.77Å; F390-I528 HydrophobicContact CZ-CD1 3.85Å; F390-I528 HydrophobicContact CZ-CG2 3.77Å; W393-I528 HydrophobicContact CH2-CG2 3.59Å; W393-I528 WeakPolarHBondContact CH2-O 3.23Å; W393-I528 HydrophobicContact CZ2-CG2 3.25Å; W393-I528 WeakPolarHBondContact CZ2-O 3.18Å; A526-I528 PolarHBondContact O-N 3.39Å; I528-L542 WeakPolarHBondContact CB-O 3.18Å; I528-L542 HydrophobicContact CD1-CD2 4.42Å; I528-L542 HydrophobicContact CD1-CG 4.35Å; I528-L542 PolarHBondContact N-O 3.11Å; I528-Y543 VanDerWaalsContact CD1-C 3.48Å; I528-D544 VanDerWaalsContact CD1-CA 3.47Å; I528-D544 HydrophobicContact CD1-CB 3.66Å; I528-D544 VanDerWaalsContact CD1-N 3.28Å; I528-D544 HydrophobicContact CG1-CB 3.8Å |
| 529 | A | 76.4 | Confident | 79.7 | Confident | 16 Ų | 16 | 42 Ų | 42 | 13% | 0.132 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 114.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | W393 C527 C540 V541 L542 | W393-A529 HydrophobicContact CH2-CB 3.5Å; W393-A529 VanDerWaalsContact CH2-CB 3.5Å; W393-A529 HydrophobicContact CZ3-CB 3.69Å; C527-A529 PolarHBondContact SG-O 3.36Å; C527-A529 VanDerWaalsContact SG-O 3.36Å; A529-C540 PolarHBondContact O-SG 2.81Å; A529-C540 VanDerWaalsContact O-SG 3.39Å; A529-V541 PolarHBondContact O-N 3.04Å; A529-L542 HydrophobicContact CB-CB 3.92Å; A529-L542 PolarHBondContact N-O 2.75Å; A529-L542 VanDerWaalsContact N-O 3.14Å; A529-L542 PolarHBondContact O-N 3.05Å |
| 530 | W | 77.1 | Confident | 79.1 | Confident | 90 Ų | 90 | 42.3 Ų | 42.3 | 34% | 0.341 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 137.2 | 168.1 | -66 | 96.2 | 0 | 0 | 0 | 110.1 | D524 C527 S532 G538 C540 | D524-W530 HydrophobicContact CB-CH2 3.74Å; D524-W530 HydrophobicContact CB-CZ2 4.05Å; C527-W530 HydrophobicContact CB-CD2 4.43Å; C527-W530 HydrophobicContact CB-CH2 4.34Å; C527-W530 HydrophobicContact CB-CZ2 3.67Å; C527-W530 VanDerWaalsContact SG-CE2 3.52Å; W530-S532 PolarHBondContact O-N 3.12Å; W530-G538 VanDerWaalsContact CE3-O 3.22Å; W530-G538 WeakPolarHBondContact CZ3-O 2.82Å; W530-C540 HydrophobicContact CD2-CB 4.33Å; W530-C540 HydrophobicContact CE3-CB 3.88Å; W530-C540 HydrophobicContact CH2-CB 4.24Å; W530-C540 HydrophobicContact CZ3-CB 3.81Å |
| 531 | Y | 68.6 | Low | 78.3 | Confident | 52 Ų | 52 | 44.2 Ų | 44.2 | 20% | 0.204 | 25% | 0.249 | C | C | . | . | trans | -82.5 | 112 | 157.7 | -169.8 | -114.8 | 0 | 0 | 0 | 107.6 | E45 P533 N539 V541 | E45-Y531 HydrophobicContact CG-CD1 4.13Å; E45-Y531 HydrophobicContact CG-CE1 4.47Å; E45-Y531 WeakPolarHBondContact OE1-CE1 3.5Å; E45-Y531 WeakPolarHBondContact OE2-CD1 3.26Å; E45-Y531 WeakPolarHBondContact OE2-CE1 3.31Å; Y531-P533 HydrophobicContact CD1-CG 4.31Å; Y531-P533 HydrophobicContact CE1-CB 4.36Å; Y531-P533 HydrophobicContact CE1-CG 3.9Å; Y531-N539 PolarHBondContact N-O 3.49Å; Y531-V541 VanDerWaalsContact CB-CG2 3.47Å; Y531-V541 HydrophobicContact CG-CG2 4.47Å | ||
| 532 | S | 65.1 | Low | 77.7 | Confident | 37 Ų | 37 | 40.1 Ų | 40.1 | 26% | 0.259 | 23% | 0.228 | S | C | . | . | trans | -133.2 | 76.1 | -175.2 | -70.1 | 0 | 0 | 0 | 0 | 108.7 | W530 C534 D536 | W530-S532 PolarHBondContact O-N 3.12Å; S532-C534 PolarHBondContact O-N 2.82Å; S532-D536 WeakPolarHBondContact CB-O 3.42Å; S532-D536 PolarHBondContact OG-O 3.34Å | ||
| 533 | P | 57.3 | Low | 77.3 | Confident | 31 Ų | 31 | 38.9 Ų | 38.9 | 20% | 0.201 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -18.1 | 177.7 | 22.8 | -30.9 | 0 | 0 | 0 | 112 | E45 Y531 | E45-P533 WeakPolarHBondContact OE2-CD 3.1Å; E45-P533 WeakPolarHBondContact OE2-CG 3.39Å; Y531-P533 HydrophobicContact CD1-CG 4.31Å; Y531-P533 HydrophobicContact CE1-CB 4.36Å; Y531-P533 HydrophobicContact CE1-CG 3.9Å |
| 534 | C | 63.9 | Low | 77.1 | Confident | 23 Ų | 23 | 41.1 Ų | 41.1 | 16% | 0.155 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -133 | 29.2 | -172.3 | -44.1 | 0 | 0 | 0 | 0 | 115.5 | C138 K140 S532 D536 | C138-C534 HydrophobicContact CB-CB 4.08Å; C138-C534 WeakPolarHBondContact CB-SG 3.37Å; C138-C534 WeakPolarHBondContact SG-CB 3.38Å; C138-C534 CovalentContact SG-SG 1.99Å; C138-C534 PolarHBondContact SG-SG 2.87Å; K140-C534 HydrophobicContact CD-CB 4.27Å; K140-C534 HydrophobicContact CG-CB 4.18Å; K140-C534 PolarHBondContact NZ-O 3.28Å; S532-C534 PolarHBondContact O-N 2.82Å; C534-D536 PolarHBondContact O-N 3.41Å; C534-D536 VanDerWaalsContact O-N 3.08Å |
| 535 | N | 61.8 | Low | 77 | Confident | 152 Ų | 152 | 40.8 Ų | 40.8 | 81% | 0.813 | 23% | 0.231 | S | C | * | . | S | Bend | trans | 61.5 | 2.3 | -177.8 | -77.2 | -13.5 | 0 | 0 | 0 | 117 | ||
| 536 | D | 64.3 | Low | 76.9 | Confident | 98 Ų | 98 | 42.4 Ų | 42.4 | 52% | 0.524 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -93.4 | 148.9 | 170 | -64 | -38.4 | 0 | 0 | 0 | 110.3 | K140 S532 C534 G538 | K140-D536 WeakPolarHBondContact CE-OD2 3.13Å; K140-D536 IonicContact NZ-OD2 2.66Å; K140-D536 PolarHBondContact NZ-OD2 3.38Å; S532-D536 WeakPolarHBondContact CB-O 3.42Å; S532-D536 PolarHBondContact OG-O 3.34Å; C534-D536 PolarHBondContact O-N 3.41Å; C534-D536 VanDerWaalsContact O-N 3.08Å; D536-G538 PolarHBondContact O-N 2.82Å |
| 537 | S | 64.9 | Low | 76.9 | Confident | 76 Ų | 76 | 44.2 Ų | 44.2 | 53% | 0.531 | 25% | 0.246 | S | C | . | . | trans | -66.5 | 103 | 176.1 | 54.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 538 | G | 73.9 | Confident | 77.1 | Confident | 8 Ų | 8 | 43.2 Ų | 43.2 | 8% | 0.082 | 24% | 0.239 | C | C | . | . | trans | -88.4 | -131.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | E45 S47 W530 D536 | E45-G538 CarbonylContact O-C 3.25Å; E45-G538 VanDerWaalsContact O-C 3.23Å; E45-G538 WeakPolarHBondContact O-CA 3.45Å; S47-G538 VanDerWaalsContact CA-O 3.32Å; S47-G538 WeakPolarHBondContact CA-O 3.49Å; S47-G538 PolarHBondContact N-O 3.49Å; W530-G538 VanDerWaalsContact CE3-O 3.22Å; W530-G538 WeakPolarHBondContact CZ3-O 2.82Å; D536-G538 PolarHBondContact O-N 2.82Å | ||
| 539 | N | 78.8 | Confident | 77.6 | Confident | 18 Ų | 18 | 42 Ų | 42 | 10% | 0.096 | 23% | 0.232 | C | C | . | . | trans | -81.6 | 140.6 | 168.4 | 176.5 | 40.5 | 0 | 0 | 0 | 110.5 | E45 Y531 | E45-N539 PolarHBondContact O-N 2.79Å; Y531-N539 PolarHBondContact N-O 3.49Å | ||
| 540 | C | 82.6 | Confident | 78.5 | Confident | 5 Ų | 5 | 48.3 Ų | 48.3 | 3% | 0.034 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 126.7 | 173.4 | -179.3 | 0 | 0 | 0 | 0 | 110.9 | C527 A529 W530 L542 Y543 | C527-C540 WeakPolarHBondContact CA-SG 3.38Å; C527-C540 HydrophobicContact CB-CB 3.68Å; C527-C540 WeakPolarHBondContact CB-SG 3.34Å; C527-C540 WeakPolarHBondContact SG-CB 3.16Å; C527-C540 CovalentContact SG-SG 2.01Å; C527-C540 PolarHBondContact SG-SG 3.12Å; A529-C540 PolarHBondContact O-SG 2.81Å; A529-C540 VanDerWaalsContact O-SG 3.39Å; W530-C540 HydrophobicContact CD2-CB 4.33Å; W530-C540 HydrophobicContact CE3-CB 3.88Å; W530-C540 HydrophobicContact CH2-CB 4.24Å; W530-C540 HydrophobicContact CZ3-CB 3.81Å; C540-L542 PolarHBondContact SG-O 3.25Å; C540-Y543 HydrophobicContact CB-CE1 3.74Å; C540-Y543 HydrophobicContact CB-CE2 4.04Å; C540-Y543 VanDerWaalsContact CB-CZ 3.46Å; C540-Y543 WeakPolarHBondContact CB-OH 3.49Å; C540-Y543 WeakPolarHBondContact O-CE2 3.41Å |
| 541 | V | 77.5 | Confident | 79.4 | Confident | 40 Ų | 40 | 47.5 Ų | 47.5 | 24% | 0.242 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | -38.5 | -175.2 | 177.1 | 0 | 0 | 0 | 0 | 111.7 | F411 A529 Y531 | F411-V541 HydrophobicContact CB-CG1 3.61Å; F411-V541 HydrophobicContact CB-CG2 4.5Å; F411-V541 HydrophobicContact CD1-CG1 3.03Å; F411-V541 HydrophobicContact CD2-CG1 3.97Å; F411-V541 HydrophobicContact CE1-CG1 3.51Å; F411-V541 HydrophobicContact CE2-CG1 4.36Å; F411-V541 HydrophobicContact CG-CG1 3.27Å; F411-V541 HydrophobicContact CZ-CG1 4.14Å; A529-V541 PolarHBondContact O-N 3.04Å; Y531-V541 VanDerWaalsContact CB-CG2 3.47Å; Y531-V541 HydrophobicContact CG-CG2 4.47Å |
| 542 | L | 80.9 | Confident | 80.7 | Confident | 12 Ų | 12 | 45 Ų | 45 | 6% | 0.063 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 125.2 | -176.1 | -175.2 | 69.8 | 0 | 0 | 0 | 110.1 | L385 L387 F390 I528 A529 C540 | L385-L542 HydrophobicContact CD2-CD1 4.08Å; L387-L542 HydrophobicContact CD1-CD2 3.63Å; L387-L542 HydrophobicContact CG-CD2 4.41Å; F390-L542 HydrophobicContact CD2-CD2 4.06Å; F390-L542 HydrophobicContact CE2-CD2 3.6Å; I528-L542 WeakPolarHBondContact CB-O 3.18Å; I528-L542 HydrophobicContact CD1-CD2 4.42Å; I528-L542 HydrophobicContact CD1-CG 4.35Å; I528-L542 PolarHBondContact N-O 3.11Å; A529-L542 HydrophobicContact CB-CB 3.92Å; A529-L542 PolarHBondContact N-O 2.75Å; A529-L542 VanDerWaalsContact N-O 3.14Å; A529-L542 PolarHBondContact O-N 3.05Å; C540-L542 PolarHBondContact SG-O 3.25Å |
| 543 | Y | 87.4 | Confident | 82.2 | Confident | 9 Ų | 9 | 43.3 Ų | 43.3 | 4% | 0.035 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 152.4 | 176.3 | -61.1 | -93 | 0 | 0 | 0 | 110.4 | K313 T317 Q384 I523 A526 C527 I528 C540 N545 F548 | K313-Y543 WeakPolarHBondContact CE-OH 3.42Å; K313-Y543 PolarHBondContact NZ-OH 3.4Å; T317-Y543 HydrophobicContact CG2-CD2 3.93Å; T317-Y543 HydrophobicContact CG2-CE2 4.14Å; Q384-Y543 PolarHBondContact NE2-O 2.76Å; I523-Y543 HydrophobicContact CG2-CD1 4.22Å; I523-Y543 HydrophobicContact CG2-CE1 3.52Å; A526-Y543 WeakPolarHBondContact O-CA 3.36Å; C527-Y543 HydrophobicContact CB-CD1 4.5Å; C527-Y543 HydrophobicContact CB-CE1 4.48Å; I528-Y543 VanDerWaalsContact CD1-C 3.48Å; C540-Y543 HydrophobicContact CB-CE1 3.74Å; C540-Y543 HydrophobicContact CB-CE2 4.04Å; C540-Y543 VanDerWaalsContact CB-CZ 3.46Å; C540-Y543 WeakPolarHBondContact CB-OH 3.49Å; C540-Y543 WeakPolarHBondContact O-CE2 3.41Å; Y543-N545 PolarHBondContact O-N 3.39Å; Y543-F548 HydrophobicContact CD1-CD1 4.04Å; Y543-F548 HydrophobicContact CD1-CE1 4.22Å; Y543-F548 HydrophobicContact CD2-CE1 4.5Å; Y543-F548 AromaticContact CG-CD1 3.88Å; Y543-F548 HydrophobicContact CG-CD1 3.88Å; Y543-F548 HydrophobicContact CG-CE1 4.14Å |
| 544 | D | 89.5 | Confident | 84 | Confident | 48 Ų | 48 | 43.4 Ų | 43.4 | 26% | 0.257 | 23% | 0.231 | S | C | . | . | trans | -76.9 | 110.3 | 164.5 | 175.3 | -12.5 | 0 | 0 | 0 | 107.9 | A526 I528 M546 S547 F548 | A526-D544 PolarHBondContact O-N 3.47Å; I528-D544 VanDerWaalsContact CD1-CA 3.47Å; I528-D544 HydrophobicContact CD1-CB 3.66Å; I528-D544 VanDerWaalsContact CD1-N 3.28Å; I528-D544 HydrophobicContact CG1-CB 3.8Å; D544-M546 VanDerWaalsContact C-N 3.29Å; D544-M546 PolarHBondContact O-N 3.16Å; D544-M546 WeakPolarHBondContact OD1-CB 3.37Å; D544-M546 PolarHBondContact OD1-N 3.05Å; D544-S547 VanDerWaalsContact CG-CB 3.49Å; D544-S547 PolarHBondContact O-N 2.87Å; D544-S547 PolarHBondContact OD1-N 2.99Å; D544-S547 VanDerWaalsContact OD1-N 3.07Å; D544-S547 VanDerWaalsContact OD2-CB 3.27Å; D544-S547 WeakPolarHBondContact OD2-CB 3.21Å; D544-S547 PolarHBondContact OD2-OG 2.73Å; D544-F548 WeakPolarHBondContact O-CB 3.34Å; D544-F548 PolarHBondContact O-N 2.64Å | ||
| 545 | N | 89.2 | Confident | 85.5 | Confident | 9 Ų | 9 | 43 Ų | 43 | 5% | 0.048 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.1 | -39.8 | -177.8 | -75 | -9.6 | 0 | 0 | 0 | 111.8 | Q318 D383 Y543 R549 | Q318-N545 VanDerWaalsContact NE2-CA 3.28Å; Q318-N545 PolarHBondContact NE2-O 2.98Å; Q318-N545 PolarHBondContact OE1-O 3.11Å; D383-N545 PolarHBondContact O-ND2 2.82Å; Y543-N545 PolarHBondContact O-N 3.39Å; N545-R549 WeakPolarHBondContact O-CB 3.04Å; N545-R549 PolarHBondContact O-N 3.1Å |
| 546 | M | 90.7 | Very high | 87.1 | Confident | 97 Ų | 97 | 35.8 Ų | 35.8 | 48% | 0.478 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -70.4 | -48.6 | -179.9 | -70.2 | -61.1 | -62.1 | 0 | 0 | 110.9 | D544 R549 Y550 | D544-M546 VanDerWaalsContact C-N 3.29Å; D544-M546 PolarHBondContact O-N 3.16Å; D544-M546 WeakPolarHBondContact OD1-CB 3.37Å; D544-M546 PolarHBondContact OD1-N 3.05Å; M546-R549 PolarHBondContact O-N 2.96Å; M546-R549 PolarHBondContact SD-NH2 3.4Å; M546-Y550 WeakPolarHBondContact O-CB 3.16Å; M546-Y550 PolarHBondContact O-N 2.77Å |
| 547 | S | 92 | Very high | 88.6 | Confident | 42 Ų | 42 | 31.3 Ų | 31.3 | 29% | 0.294 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -65.7 | -41 | 179 | -67.7 | 0 | 0 | 0 | 0 | 112 | D544 K551 | D544-S547 VanDerWaalsContact CG-CB 3.49Å; D544-S547 PolarHBondContact O-N 2.87Å; D544-S547 PolarHBondContact OD1-N 2.99Å; D544-S547 VanDerWaalsContact OD1-N 3.07Å; D544-S547 VanDerWaalsContact OD2-CB 3.27Å; D544-S547 WeakPolarHBondContact OD2-CB 3.21Å; D544-S547 PolarHBondContact OD2-OG 2.73Å; S547-K551 VanDerWaalsContact O-CB 3.25Å; S547-K551 WeakPolarHBondContact O-CB 3.4Å; S547-K551 WeakPolarHBondContact O-CG 3.26Å; S547-K551 PolarHBondContact O-N 2.96Å |
| 548 | F | 93.6 | Very high | 90.2 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 0% | 0.004 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.2 | -53 | 176.7 | -171.8 | 173.3 | 0 | 0 | 0 | 109.4 | F314 T317 I523 A526 Y543 D544 Y550 K551 Y552 | F314-F548 HydrophobicContact CB-CZ 4.32Å; F314-F548 HydrophobicContact CD2-CD2 4.1Å; F314-F548 AromaticContact CD2-CE2 3.74Å; F314-F548 HydrophobicContact CD2-CE2 3.74Å; F314-F548 HydrophobicContact CD2-CZ 4.07Å; F314-F548 HydrophobicContact CE2-CD2 4.49Å; T317-F548 HydrophobicContact CG2-CE1 4.4Å; T317-F548 VanDerWaalsContact OG1-CE1 3.23Å; T317-F548 WeakPolarHBondContact OG1-CE1 3.43Å; I523-F548 HydrophobicContact CB-CE2 4.38Å; I523-F548 HydrophobicContact CD1-CE2 4.25Å; I523-F548 HydrophobicContact CD1-CZ 4.33Å; I523-F548 HydrophobicContact CG1-CD2 4.41Å; I523-F548 HydrophobicContact CG1-CE2 3.62Å; I523-F548 HydrophobicContact CG1-CZ 3.98Å; I523-F548 HydrophobicContact CG2-CE1 4.24Å; I523-F548 HydrophobicContact CG2-CE2 4.17Å; I523-F548 HydrophobicContact CG2-CZ 3.84Å; A526-F548 HydrophobicContact CB-CB 3.76Å; A526-F548 HydrophobicContact CB-CG 4.36Å; Y543-F548 HydrophobicContact CD1-CD1 4.04Å; Y543-F548 HydrophobicContact CD1-CE1 4.22Å; Y543-F548 HydrophobicContact CD2-CE1 4.5Å; Y543-F548 AromaticContact CG-CD1 3.88Å; Y543-F548 HydrophobicContact CG-CD1 3.88Å; Y543-F548 HydrophobicContact CG-CE1 4.14Å; D544-F548 WeakPolarHBondContact O-CB 3.34Å; D544-F548 PolarHBondContact O-N 2.64Å; F548-Y550 PolarHBondContact O-N 3.43Å; F548-K551 PolarHBondContact O-N 3.39Å; F548-Y552 HydrophobicContact CD2-CG 4.46Å; F548-Y552 HydrophobicContact CE2-CD2 4.24Å; F548-Y552 HydrophobicContact CE2-CG 4.08Å; F548-Y552 WeakPolarHBondContact O-CB 3.13Å; F548-Y552 PolarHBondContact O-N 2.59Å |
| 549 | R | 94.3 | Very high | 91.2 | Very high | 19 Ų | 19 | 32.1 Ų | 32.1 | 7% | 0.072 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -57.3 | -47.9 | 179 | -172.7 | 167.9 | 72.3 | -128.1 | 11.1 | 112.8 | F314 I378 C382 N545 M546 H553 | F314-R549 HydrophobicContact CE2-CB 4.32Å; F314-R549 HydrophobicContact CE2-CG 4.46Å; F314-R549 HydrophobicContact CZ-CB 4.46Å; F314-R549 HydrophobicContact CZ-CG 4.16Å; I378-R549 WeakPolarHBondContact O-CD 3.25Å; I378-R549 PolarHBondContact O-NE 3.2Å; C382-R549 PolarHBondContact O-NH1 3.03Å; N545-R549 WeakPolarHBondContact O-CB 3.04Å; N545-R549 PolarHBondContact O-N 3.1Å; M546-R549 PolarHBondContact O-N 2.96Å; M546-R549 PolarHBondContact SD-NH2 3.4Å; R549-H553 PolarHBondContact O-CD2 3.15Å; R549-H553 VanDerWaalsContact O-CD2 3.23Å; R549-H553 PolarHBondContact O-N 3.19Å |
| 550 | Y | 95.4 | Very high | 92.1 | Very high | 148 Ų | 148 | 31.4 Ų | 31.4 | 58% | 0.58 | 17% | 0.168 | S | C | * | . | H | α-helix | trans | -62.5 | -53.3 | 179.1 | -174 | -93.6 | 0 | 0 | 0 | 111.5 | I378 M546 F548 Y552 S554 | I378-Y550 HydrophobicContact CG2-CD2 4.22Å; M546-Y550 WeakPolarHBondContact O-CB 3.16Å; M546-Y550 PolarHBondContact O-N 2.77Å; F548-Y550 PolarHBondContact O-N 3.43Å; Y550-Y552 PolarHBondContact O-N 2.94Å; Y550-S554 WeakPolarHBondContact O-CB 3.33Å; Y550-S554 PolarHBondContact O-N 3.48Å; Y550-S554 PolarHBondContact O-OG 2.63Å |
| 551 | K | 96 | Very high | 92.8 | Very high | 73 Ų | 73 | 34.8 Ų | 34.8 | 32% | 0.317 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -65.8 | -40.6 | -175.5 | -69.3 | 176.5 | 177.5 | -176 | 0 | 112.6 | I522 S525 S547 F548 G555 | I522-K551 HydrophobicContact CG2-CB 3.81Å; S525-K551 PolarHBondContact O-NZ 2.96Å; S525-K551 WeakPolarHBondContact OG-CD 3.34Å; S525-K551 PolarHBondContact OG-NZ 2.93Å; S547-K551 VanDerWaalsContact O-CB 3.25Å; S547-K551 WeakPolarHBondContact O-CB 3.4Å; S547-K551 WeakPolarHBondContact O-CG 3.26Å; S547-K551 PolarHBondContact O-N 2.96Å; F548-K551 PolarHBondContact O-N 3.39Å; K551-G555 WeakPolarHBondContact O-CA 3.1Å; K551-G555 PolarHBondContact O-N 2.8Å |
| 552 | Y | 95.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -67.6 | -51.2 | -177.6 | -178.2 | -112.7 | 0 | 0 | 0 | 112.2 | Y307 L311 F314 F519 I523 F548 Y550 N556 | Y307-Y552 HydrophobicContact CD2-CD1 4.21Å; Y307-Y552 AromaticContact CD2-CE1 3.56Å; Y307-Y552 HydrophobicContact CD2-CE1 3.56Å; Y307-Y552 HydrophobicContact CD2-CE2 4.08Å; Y307-Y552 AromaticContact CD2-CZ 3.48Å; Y307-Y552 VanDerWaalsContact CD2-CZ 3.48Å; Y307-Y552 AromaticContact CE2-CD1 3.77Å; Y307-Y552 HydrophobicContact CE2-CD1 3.77Å; Y307-Y552 AromaticContact CE2-CE1 3.2Å; Y307-Y552 HydrophobicContact CE2-CE1 3.2Å; Y307-Y552 AromaticContact CE2-CZ 3.65Å; Y307-Y552 HydrophobicContact CG-CE1 4.41Å; Y307-Y552 AromaticContact CZ-CE1 3.8Å; Y307-Y552 PolarHBondContact O-OH 3.27Å; L311-Y552 WeakPolarHBondContact CA-OH 3.49Å; L311-Y552 PolarHBondContact N-OH 3.32Å; F314-Y552 HydrophobicContact CB-CD1 4.39Å; F314-Y552 HydrophobicContact CB-CE1 3.91Å; F314-Y552 HydrophobicContact CD1-CE1 4.34Å; F314-Y552 AromaticContact CD2-CD1 3.46Å; F314-Y552 HydrophobicContact CD2-CD1 3.46Å; F314-Y552 VanDerWaalsContact CD2-CD1 3.46Å; F314-Y552 AromaticContact CD2-CE1 3.81Å; F314-Y552 HydrophobicContact CD2-CE1 3.81Å; F314-Y552 HydrophobicContact CD2-CG 4.15Å; F314-Y552 AromaticContact CE2-CD1 3.78Å; F314-Y552 HydrophobicContact CE2-CD1 3.78Å; F314-Y552 HydrophobicContact CE2-CE1 4.42Å; F314-Y552 AromaticContact CG-CD1 3.9Å; F314-Y552 HydrophobicContact CG-CD1 3.9Å; F314-Y552 AromaticContact CG-CE1 3.75Å; F314-Y552 HydrophobicContact CG-CE1 3.75Å; F314-Y552 HydrophobicContact CZ-CD1 4.47Å; F519-Y552 AromaticContact CD1-CD2 3.69Å; F519-Y552 HydrophobicContact CD1-CD2 3.69Å; F519-Y552 AromaticContact CD1-CE2 3.64Å; F519-Y552 HydrophobicContact CD1-CE2 3.64Å; F519-Y552 AromaticContact CE1-CD2 3.97Å; F519-Y552 HydrophobicContact CE1-CD2 3.97Å; F519-Y552 AromaticContact CE1-CE2 4Å; F519-Y552 HydrophobicContact CE1-CE2 4Å; I523-Y552 HydrophobicContact CD1-CD2 4.4Å; I523-Y552 HydrophobicContact CD1-CE2 4.39Å; I523-Y552 HydrophobicContact CG1-CD2 4.33Å; F548-Y552 HydrophobicContact CD2-CG 4.46Å; F548-Y552 HydrophobicContact CE2-CD2 4.24Å; F548-Y552 HydrophobicContact CE2-CG 4.08Å; F548-Y552 WeakPolarHBondContact O-CB 3.13Å; F548-Y552 PolarHBondContact O-N 2.59Å; Y550-Y552 PolarHBondContact O-N 2.94Å; Y552-N556 PolarHBondContact O-N 3.24Å |
| 553 | H | 96.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -74.1 | -40.7 | 179.2 | -68 | -58.3 | 0 | 0 | 0 | 113.1 | Y307 F314 G377 I378 Y465 R549 G555 N556 A557 | Y307-H553 AromaticContact CE2-ND1 3.64Å; Y307-H553 AromaticContact CZ-ND1 3.98Å; Y307-H553 PolarHBondContact OH-CE1 2.59Å; Y307-H553 PolarHBondContact OH-ND1 3.02Å; F314-H553 AromaticContact CE1-NE2 3.65Å; F314-H553 AromaticContact CE2-NE2 3.9Å; F314-H553 AromaticContact CZ-CE1 3.87Å; F314-H553 AromaticContact CZ-NE2 3.15Å; F314-H553 WeakPolarHBondContact CZ-NE2 3.46Å; G377-H553 PolarHBondContact O-NE2 3.44Å; I378-H553 HydrophobicContact CD1-CB 4.1Å; I378-H553 HydrophobicContact CG1-CB 3.46Å; I378-H553 VanDerWaalsContact CG1-CB 3.46Å; Y465-H553 AromaticContact CE2-CE1 3.75Å; Y465-H553 AromaticContact CE2-NE2 3.78Å; Y465-H553 PolarHBondContact OH-CE1 2.81Å; R549-H553 PolarHBondContact O-CD2 3.15Å; R549-H553 VanDerWaalsContact O-CD2 3.23Å; R549-H553 PolarHBondContact O-N 3.19Å; H553-G555 VanDerWaalsContact C-N 3.32Å; H553-G555 PolarHBondContact O-N 3.27Å; H553-N556 PolarHBondContact O-N 3.12Å; H553-A557 WeakPolarHBondContact O-CB 3.41Å; H553-A557 PolarHBondContact O-N 3.08Å |
| 554 | S | 95.6 | Very high | 95 | Very high | 33 Ų | 33 | 33.9 Ų | 33.9 | 23% | 0.231 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -67.1 | -35.5 | 177.9 | 66.8 | 0 | 0 | 0 | 0 | 111.9 | Y550 A557 A558 | Y550-S554 WeakPolarHBondContact O-CB 3.33Å; Y550-S554 PolarHBondContact O-N 3.48Å; Y550-S554 PolarHBondContact O-OG 2.63Å; S554-A557 PolarHBondContact O-N 3.04Å; S554-A558 WeakPolarHBondContact O-CB 3.26Å; S554-A558 PolarHBondContact O-N 3.49Å |
| 555 | G | 95.1 | Very high | 95.4 | Very high | 14 Ų | 14 | 37 Ų | 37 | 14% | 0.144 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.6 | -48.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | K551 H553 A558 F559 | K551-G555 WeakPolarHBondContact O-CA 3.1Å; K551-G555 PolarHBondContact O-N 2.8Å; H553-G555 VanDerWaalsContact C-N 3.32Å; H553-G555 PolarHBondContact O-N 3.27Å; G555-A558 WeakPolarHBondContact O-CB 3.1Å; G555-A558 PolarHBondContact O-N 3.45Å; G555-F559 WeakPolarHBondContact O-CD2 2.98Å; G555-F559 PolarHBondContact O-N 3.1Å |
| 556 | N | 95 | Very high | 95.8 | Very high | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.011 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -69.3 | -36.9 | 177.5 | -157 | 43.1 | 0 | 0 | 0 | 113 | Y307 Y374 F519 Y552 H553 A558 F559 Q560 | Y307-N556 HydrophobicContact CD2-CB 3.84Å; Y307-N556 HydrophobicContact CG-CB 4.49Å; Y374-N556 HydrophobicContact CD2-CB 4.47Å; Y374-N556 VanDerWaalsContact CE1-ND2 3.33Å; Y374-N556 WeakPolarHBondContact CE1-ND2 3.4Å; Y374-N556 WeakPolarHBondContact CE2-ND2 3.35Å; Y374-N556 PolarHBondContact OH-ND2 3.47Å; Y374-N556 VanDerWaalsContact OH-ND2 3.09Å; F519-N556 HydrophobicContact CE1-CB 4.12Å; F519-N556 HydrophobicContact CZ-CB 3.73Å; Y552-N556 PolarHBondContact O-N 3.24Å; H553-N556 PolarHBondContact O-N 3.12Å; N556-A558 VanDerWaalsContact C-N 3.26Å; N556-A558 PolarHBondContact O-N 3.12Å; N556-F559 PolarHBondContact O-N 3.33Å; N556-Q560 WeakPolarHBondContact O-CB 3.06Å; N556-Q560 PolarHBondContact O-N 3.1Å |
| 557 | A | 96.7 | Very high | 96 | Very high | 3 Ų | 3 | 33 Ų | 33 | 3% | 0.025 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.2 | -35.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | F371 L375 H553 S554 Q560 L561 | F371-A557 HydrophobicContact CD2-CB 4.04Å; F371-A557 VanDerWaalsContact CD2-O 3.32Å; F371-A557 WeakPolarHBondContact CD2-O 3.31Å; F371-A557 HydrophobicContact CE2-CB 4Å; L375-A557 HydrophobicContact CD2-CB 4.15Å; H553-A557 WeakPolarHBondContact O-CB 3.41Å; H553-A557 PolarHBondContact O-N 3.08Å; S554-A557 PolarHBondContact O-N 3.04Å; A557-Q560 PolarHBondContact O-N 3.37Å; A557-L561 WeakPolarHBondContact O-CB 3.4Å; A557-L561 PolarHBondContact O-N 3.39Å |
| 558 | A | 96.8 | Very high | 96.3 | Very high | 59 Ų | 59 | 33 Ų | 33 | 49% | 0.488 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -67 | -45.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | S554 G555 N556 Q560 L561 A562 | S554-A558 WeakPolarHBondContact O-CB 3.26Å; S554-A558 PolarHBondContact O-N 3.49Å; G555-A558 WeakPolarHBondContact O-CB 3.1Å; G555-A558 PolarHBondContact O-N 3.45Å; N556-A558 VanDerWaalsContact C-N 3.26Å; N556-A558 PolarHBondContact O-N 3.12Å; A558-Q560 VanDerWaalsContact C-N 3.32Å; A558-Q560 PolarHBondContact O-N 3.14Å; A558-L561 PolarHBondContact O-N 3.11Å; A558-A562 PolarHBondContact O-N 3.39Å |
| 559 | F | 96.5 | Very high | 96.4 | Very high | 42 Ų | 42 | 37.7 Ų | 37.7 | 18% | 0.184 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.3 | -40.5 | 173.4 | -71.9 | -64 | 0 | 0 | 0 | 111.8 | F299 Y302 I518 F519 G555 N556 L561 A562 A563 | F299-F559 HydrophobicContact CD1-CD1 4.05Å; F299-F559 HydrophobicContact CE1-CD1 4.4Å; Y302-F559 HydrophobicContact CD1-CD1 4.06Å; Y302-F559 AromaticContact CD1-CD2 3.87Å; Y302-F559 HydrophobicContact CD1-CD2 3.87Å; Y302-F559 AromaticContact CD1-CE1 3.94Å; Y302-F559 HydrophobicContact CD1-CE1 3.94Å; Y302-F559 AromaticContact CD1-CE2 3.74Å; Y302-F559 HydrophobicContact CD1-CE2 3.74Å; Y302-F559 HydrophobicContact CD1-CG 4.04Å; Y302-F559 AromaticContact CD1-CZ 3.78Å; Y302-F559 HydrophobicContact CD1-CZ 3.78Å; Y302-F559 HydrophobicContact CD2-CD1 4.48Å; Y302-F559 HydrophobicContact CE1-CD1 4.27Å; Y302-F559 AromaticContact CE1-CE1 3.74Å; Y302-F559 HydrophobicContact CE1-CE1 3.74Å; Y302-F559 HydrophobicContact CE1-CE2 4.03Å; Y302-F559 AromaticContact CE1-CZ 3.61Å; Y302-F559 HydrophobicContact CE1-CZ 3.61Å; Y302-F559 HydrophobicContact CG-CD1 4.17Å; Y302-F559 HydrophobicContact CG-CD2 4.31Å; Y302-F559 HydrophobicContact CG-CE1 4.45Å; Y302-F559 HydrophobicContact CG-CG 4.11Å; I518-F559 HydrophobicContact CG2-CE2 4.3Å; I518-F559 HydrophobicContact CG2-CZ 4.22Å; F519-F559 HydrophobicContact CE2-CD2 4.23Å; F519-F559 HydrophobicContact CE2-CE2 4.25Å; F519-F559 HydrophobicContact CZ-CD2 4.43Å; G555-F559 WeakPolarHBondContact O-CD2 2.98Å; G555-F559 PolarHBondContact O-N 3.1Å; N556-F559 PolarHBondContact O-N 3.33Å; F559-L561 PolarHBondContact O-N 3.49Å; F559-A562 WeakPolarHBondContact O-CB 3.28Å; F559-A562 PolarHBondContact O-N 3.27Å; F559-A563 PolarHBondContact O-N 2.93Å |
| 560 | Q | 96.3 | Very high | 96.5 | Very high | 4 Ų | 4 | 36.8 Ų | 36.8 | 2% | 0.019 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.3 | -40.5 | 175.2 | -175.8 | 63.2 | 14.5 | 0 | 0 | 112.1 | W367 I370 F371 N556 A557 A558 A563 I564 | W367-Q560 PolarHBondContact O-NE2 2.87Å; I370-Q560 HydrophobicContact CB-CG 4.33Å; I370-Q560 HydrophobicContact CG2-CG 3.93Å; F371-Q560 HydrophobicContact CB-CG 3.97Å; N556-Q560 WeakPolarHBondContact O-CB 3.06Å; N556-Q560 PolarHBondContact O-N 3.1Å; A557-Q560 PolarHBondContact O-N 3.37Å; A558-Q560 VanDerWaalsContact C-N 3.32Å; A558-Q560 PolarHBondContact O-N 3.14Å; Q560-A563 WeakPolarHBondContact O-CB 3.07Å; Q560-A563 PolarHBondContact O-N 3.11Å; Q560-I564 HydrophobicContact CG-CD1 4.17Å; Q560-I564 VanDerWaalsContact O-CG1 3.28Å; Q560-I564 WeakPolarHBondContact O-CG1 3.11Å; Q560-I564 PolarHBondContact O-N 2.03Å |
| 561 | L | 97.7 | Very high | 96.5 | Very high | 76 Ų | 76 | 32.7 Ų | 32.7 | 40% | 0.398 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -62.5 | -43.3 | 175.1 | -178.2 | 63.6 | 0 | 0 | 0 | 111.2 | F371 A557 A558 F559 A563 I564 L565 | F371-L561 HydrophobicContact CD2-CB 4.15Å; F371-L561 HydrophobicContact CE2-CB 4Å; F371-L561 HydrophobicContact CE2-CD1 4.49Å; A557-L561 WeakPolarHBondContact O-CB 3.4Å; A557-L561 PolarHBondContact O-N 3.39Å; A558-L561 PolarHBondContact O-N 3.11Å; F559-L561 PolarHBondContact O-N 3.49Å; L561-A563 VanDerWaalsContact C-N 3.31Å; L561-A563 PolarHBondContact O-N 3.04Å; L561-I564 PolarHBondContact O-N 2.89Å; L561-L565 HydrophobicContact CG-CD1 4.41Å; L561-L565 VanDerWaalsContact O-CG 3.32Å; L561-L565 WeakPolarHBondContact O-CG 3.4Å; L561-L565 PolarHBondContact O-N 3.15Å |
| 562 | A | 97.5 | Very high | 96.4 | Very high | 28 Ų | 28 | 36.4 Ų | 36.4 | 23% | 0.231 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.2 | -43.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | F299 A558 F559 I564 L565 V566 | F299-A562 HydrophobicContact CD1-CB 4.16Å; F299-A562 HydrophobicContact CD2-CB 4.11Å; F299-A562 HydrophobicContact CE1-CB 4.2Å; F299-A562 HydrophobicContact CE2-CB 4.14Å; F299-A562 HydrophobicContact CG-CB 4.12Å; F299-A562 HydrophobicContact CZ-CB 4.19Å; A558-A562 PolarHBondContact O-N 3.39Å; F559-A562 WeakPolarHBondContact O-CB 3.28Å; F559-A562 PolarHBondContact O-N 3.27Å; A562-I564 PolarHBondContact O-N 3.13Å; A562-L565 PolarHBondContact O-N 2.64Å; A562-V566 VanDerWaalsContact O-CG2 3.3Å; A562-V566 WeakPolarHBondContact O-CG2 3.34Å; A562-V566 PolarHBondContact O-N 2.84Å; A562-V566 VanDerWaalsContact O-N 3.08Å |
| 563 | A | 97 | Very high | 96.3 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.2 | -46.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | F299 W367 F559 Q560 L561 V566 V567 | F299-A563 HydrophobicContact CB-CB 3.58Å; W367-A563 HydrophobicContact CE3-CB 3.81Å; W367-A563 HydrophobicContact CH2-CB 4.2Å; W367-A563 HydrophobicContact CZ3-CB 3.38Å; F559-A563 PolarHBondContact O-N 2.93Å; Q560-A563 WeakPolarHBondContact O-CB 3.07Å; Q560-A563 PolarHBondContact O-N 3.11Å; L561-A563 VanDerWaalsContact C-N 3.31Å; L561-A563 PolarHBondContact O-N 3.04Å; A563-V566 PolarHBondContact O-N 2.79Å; A563-V567 WeakPolarHBondContact O-CG2 3.39Å; A563-V567 PolarHBondContact O-N 2.9Å |
| 564 | I | 97.5 | Very high | 96 | Very high | 14 Ų | 14 | 40.2 Ų | 40.2 | 7% | 0.072 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.4 | -48.5 | 177.2 | -67.9 | 161.3 | 0 | 0 | 0 | 110.9 | W367 V368 F371 Q560 L561 A562 V566 V567 V568 | W367-I564 HydrophobicContact CB-CD1 4.46Å; W367-I564 HydrophobicContact CB-CG1 3.84Å; W367-I564 HydrophobicContact CE3-CG1 4.46Å; V368-I564 HydrophobicContact CG2-CD1 4.04Å; V368-I564 HydrophobicContact CG2-CG2 4.23Å; F371-I564 HydrophobicContact CB-CD1 3.87Å; F371-I564 HydrophobicContact CG-CD1 4.49Å; Q560-I564 HydrophobicContact CG-CD1 4.17Å; Q560-I564 VanDerWaalsContact O-CG1 3.28Å; Q560-I564 WeakPolarHBondContact O-CG1 3.11Å; Q560-I564 PolarHBondContact O-N 2.03Å; L561-I564 PolarHBondContact O-N 2.89Å; A562-I564 PolarHBondContact O-N 3.13Å; I564-V566 VanDerWaalsContact C-N 3.26Å; I564-V566 PolarHBondContact O-N 3.37Å; I564-V567 PolarHBondContact O-N 2.98Å; I564-V568 HydrophobicContact CG2-CG2 4.14Å; I564-V568 WeakPolarHBondContact O-CB 3.47Å; I564-V568 VanDerWaalsContact O-CG2 3.25Å; I564-V568 WeakPolarHBondContact O-CG2 3.04Å; I564-V568 PolarHBondContact O-N 2.76Å |
| 565 | L | 97.9 | Very high | 95.7 | Very high | 112 Ų | 112 | 44.1 Ų | 44.1 | 59% | 0.586 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -58.9 | -40.6 | -179.4 | -70.1 | 174.3 | 0 | 0 | 0 | 111.6 | L561 A562 F569 | L561-L565 HydrophobicContact CG-CD1 4.41Å; L561-L565 VanDerWaalsContact O-CG 3.32Å; L561-L565 WeakPolarHBondContact O-CG 3.4Å; L561-L565 PolarHBondContact O-N 3.15Å; A562-L565 PolarHBondContact O-N 2.64Å; L565-F569 PolarHBondContact O-N 3.4Å |
| 566 | V | 97.2 | Very high | 95.1 | Very high | 23 Ų | 23 | 50.8 Ų | 50.8 | 14% | 0.139 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -67.7 | -43.7 | 177.4 | 173.7 | 0 | 0 | 0 | 0 | 111.5 | S292 L295 F299 A562 A563 I564 F569 T570 | S292-V566 WeakPolarHBondContact O-CG1 3.34Å; L295-V566 HydrophobicContact CB-CG1 3.99Å; L295-V566 HydrophobicContact CD2-CG1 4.16Å; L295-V566 HydrophobicContact CD2-CG2 3.87Å; L295-V566 HydrophobicContact CG-CG1 4.15Å; L295-V566 HydrophobicContact CG-CG2 4.16Å; F299-V566 HydrophobicContact CD2-CG2 4.31Å; F299-V566 HydrophobicContact CE2-CG2 4.19Å; A562-V566 VanDerWaalsContact O-CG2 3.3Å; A562-V566 WeakPolarHBondContact O-CG2 3.34Å; A562-V566 PolarHBondContact O-N 2.84Å; A562-V566 VanDerWaalsContact O-N 3.08Å; A563-V566 PolarHBondContact O-N 2.79Å; I564-V566 VanDerWaalsContact C-N 3.26Å; I564-V566 PolarHBondContact O-N 3.37Å; V566-F569 WeakPolarHBondContact O-CB 3.36Å; V566-F569 PolarHBondContact O-N 3.43Å; V566-T570 PolarHBondContact O-N 2.98Å; V566-T570 PolarHBondContact O-OG1 2.87Å; V566-T570 VanDerWaalsContact O-OG1 3.1Å |
| 567 | V | 96.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -70 | -33.5 | 178.6 | 176.7 | 0 | 0 | 0 | 0 | 112 | M293 T360 L363 I364 W367 A563 I564 F569 T570 Y571 | M293-V567 HydrophobicContact CE-CG2 4.36Å; T360-V567 HydrophobicContact CG2-CG1 3.89Å; L363-V567 HydrophobicContact CD2-CG1 4.04Å; I364-V567 HydrophobicContact CD1-CG1 4.2Å; I364-V567 HydrophobicContact CG1-CB 4.37Å; I364-V567 HydrophobicContact CG1-CG1 3.63Å; W367-V567 HydrophobicContact CE3-CG2 3.96Å; W367-V567 HydrophobicContact CH2-CG2 3.97Å; W367-V567 HydrophobicContact CZ3-CB 4.39Å; W367-V567 HydrophobicContact CZ3-CG2 3.37Å; A563-V567 WeakPolarHBondContact O-CG2 3.39Å; A563-V567 PolarHBondContact O-N 2.9Å; I564-V567 PolarHBondContact O-N 2.98Å; V567-F569 VanDerWaalsContact C-N 3.3Å; V567-F569 PolarHBondContact O-N 3.08Å; V567-T570 WeakPolarHBondContact O-CB 3.4Å; V567-T570 PolarHBondContact O-N 2.69Å; V567-T570 VanDerWaalsContact O-N 3.17Å; V567-Y571 PolarHBondContact O-N 2.05Å |
| 568 | V | 97.3 | Very high | 93.9 | Very high | 42 Ų | 42 | 55.8 Ų | 55.8 | 26% | 0.255 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60.5 | -42.8 | 170.1 | 167.9 | 0 | 0 | 0 | 0 | 110.3 | I364 I564 T570 Y571 Y572 | I364-V568 HydrophobicContact CD1-CG2 3.95Å; I364-V568 HydrophobicContact CG1-CG2 4.24Å; I364-V568 HydrophobicContact CG2-CG2 3.97Å; I564-V568 HydrophobicContact CG2-CG2 4.14Å; I564-V568 WeakPolarHBondContact O-CB 3.47Å; I564-V568 VanDerWaalsContact O-CG2 3.25Å; I564-V568 WeakPolarHBondContact O-CG2 3.04Å; I564-V568 PolarHBondContact O-N 2.76Å; V568-T570 PolarHBondContact O-N 2.98Å; V568-Y571 WeakPolarHBondContact O-CB 3.08Å; V568-Y571 PolarHBondContact O-N 3.27Å; V568-Y572 HydrophobicContact CG1-CD2 4Å; V568-Y572 HydrophobicContact CG1-CE2 3.56Å; V568-Y572 WeakPolarHBondContact O-CD2 3.09Å; V568-Y572 PolarHBondContact O-N 3.37Å |
| 569 | F | 96.5 | Very high | 93.1 | Very high | 100 Ų | 100 | 54.6 Ų | 54.6 | 44% | 0.439 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.5 | -42.3 | 172.5 | 175.8 | -94.9 | 0 | 0 | 0 | 112 | L565 V566 V567 Y571 Y572 K573 | L565-F569 PolarHBondContact O-N 3.4Å; V566-F569 WeakPolarHBondContact O-CB 3.36Å; V566-F569 PolarHBondContact O-N 3.43Å; V567-F569 VanDerWaalsContact C-N 3.3Å; V567-F569 PolarHBondContact O-N 3.08Å; F569-Y571 VanDerWaalsContact C-N 3.32Å; F569-Y571 PolarHBondContact O-N 3.47Å; F569-Y572 PolarHBondContact O-N 2.79Å; F569-K573 HydrophobicContact CD1-CG 4.25Å; F569-K573 HydrophobicContact CE1-CG 3.84Å; F569-K573 HydrophobicContact CE2-CG 4.3Å; F569-K573 HydrophobicContact CZ-CD 4.24Å; F569-K573 HydrophobicContact CZ-CG 3.88Å; F569-K573 WeakPolarHBondContact O-CG 3.45Å; F569-K573 PolarHBondContact O-N 1.99Å; F569-K573 VanDerWaalsContact O-N 3.08Å |
| 570 | T | 95.6 | Very high | 92 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -56.7 | -45.3 | 173.1 | -50.1 | 0 | 0 | 0 | 0 | 111.5 | V289 S292 M293 V486 V566 V567 V568 Y572 K573 Q574 | V289-T570 HydrophobicContact CG1-CG2 3.97Å; S292-T570 VanDerWaalsContact CB-OG1 3.22Å; S292-T570 WeakPolarHBondContact CB-OG1 3.3Å; S292-T570 WeakPolarHBondContact OG-CB 3.32Å; S292-T570 PolarHBondContact OG-OG1 2.89Å; M293-T570 HydrophobicContact CB-CG2 4.33Å; M293-T570 HydrophobicContact SD-CG2 4.02Å; V486-T570 HydrophobicContact CG1-CG2 4.45Å; V566-T570 PolarHBondContact O-N 2.98Å; V566-T570 PolarHBondContact O-OG1 2.87Å; V566-T570 VanDerWaalsContact O-OG1 3.1Å; V567-T570 WeakPolarHBondContact O-CB 3.4Å; V567-T570 PolarHBondContact O-N 2.69Å; V567-T570 VanDerWaalsContact O-N 3.17Å; V568-T570 PolarHBondContact O-N 2.98Å; T570-Y572 VanDerWaalsContact C-N 3.35Å; T570-Y572 PolarHBondContact O-N 3.47Å; T570-K573 PolarHBondContact O-N 3Å; T570-K573 VanDerWaalsContact O-N 3.08Å; T570-Q574 HydrophobicContact CG2-CG 4.45Å; T570-Q574 WeakPolarHBondContact O-CG 3.49Å; T570-Q574 PolarHBondContact O-N 3.23Å |
| 571 | Y | 95.8 | Very high | 90.3 | Very high | 62 Ų | 62 | 56.4 Ų | 56.4 | 24% | 0.243 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.4 | -40.8 | 179.3 | 175.5 | -97.2 | 0 | 0 | 0 | 113.2 | R357 T360 L361 I364 V567 V568 F569 | R357-Y571 HydrophobicContact CB-CE2 4.37Å; R357-Y571 WeakPolarHBondContact O-CE2 2.89Å; T360-Y571 HydrophobicContact CG2-CD2 4.38Å; L361-Y571 HydrophobicContact CB-CE2 4.04Å; I364-Y571 HydrophobicContact CD1-CG 4.21Å; V567-Y571 PolarHBondContact O-N 2.05Å; V568-Y571 WeakPolarHBondContact O-CB 3.08Å; V568-Y571 PolarHBondContact O-N 3.27Å; F569-Y571 VanDerWaalsContact C-N 3.32Å; F569-Y571 PolarHBondContact O-N 3.47Å |
| 572 | Y | 94.6 | Very high | 88.4 | Confident | 151 Ų | 151 | 55.5 Ų | 55.5 | 59% | 0.592 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -67.8 | -36.3 | 174.1 | -74 | -64.8 | 0 | 0 | 0 | 112.4 | V568 F569 T570 E575 | V568-Y572 HydrophobicContact CG1-CD2 4Å; V568-Y572 HydrophobicContact CG1-CE2 3.56Å; V568-Y572 WeakPolarHBondContact O-CD2 3.09Å; V568-Y572 PolarHBondContact O-N 3.37Å; F569-Y572 PolarHBondContact O-N 2.79Å; T570-Y572 VanDerWaalsContact C-N 3.35Å; T570-Y572 PolarHBondContact O-N 3.47Å; Y572-E575 WeakPolarHBondContact O-CB 3.08Å; Y572-E575 PolarHBondContact O-N 3.39Å |
| 573 | K | 93 | Very high | 86.3 | Confident | 76 Ų | 76 | 59.2 Ų | 59.2 | 33% | 0.33 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -72.4 | -28.1 | 178.4 | -68.3 | -61.6 | -177.9 | 168.7 | 0 | 113.5 | Q288 V289 F569 T570 E575 | Q288-K573 HydrophobicContact CB-CG 4.45Å; Q288-K573 VanDerWaalsContact OE1-CD 3.29Å; V289-K573 HydrophobicContact CG2-CB 3.99Å; F569-K573 HydrophobicContact CD1-CG 4.25Å; F569-K573 HydrophobicContact CE1-CG 3.84Å; F569-K573 HydrophobicContact CE2-CG 4.3Å; F569-K573 HydrophobicContact CZ-CD 4.24Å; F569-K573 HydrophobicContact CZ-CG 3.88Å; F569-K573 WeakPolarHBondContact O-CG 3.45Å; F569-K573 PolarHBondContact O-N 1.99Å; F569-K573 VanDerWaalsContact O-N 3.08Å; T570-K573 PolarHBondContact O-N 3Å; T570-K573 VanDerWaalsContact O-N 3.08Å; K573-E575 PolarHBondContact O-N 2.96Å |
| 574 | Q | 91 | Very high | 84.1 | Confident | 3 Ų | 3 | 63 Ų | 63 | 1% | 0.014 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -64.4 | -17.9 | 174.5 | -73.7 | 173.8 | -15.7 | 0 | 0 | 113.8 | V289 R357 T360 T570 | V289-Q574 HydrophobicContact CG1-CG 4.12Å; V289-Q574 HydrophobicContact CG2-CG 4.47Å; R357-Q574 HydrophobicContact CG-CB 4.03Å; T360-Q574 PolarHBondContact OG1-NE2 2.73Å; T360-Q574 PolarHBondContact OG1-OE1 3.08Å; T570-Q574 HydrophobicContact CG2-CG 4.45Å; T570-Q574 WeakPolarHBondContact O-CG 3.49Å; T570-Q574 PolarHBondContact O-N 3.23Å |
| 575 | E | 87.9 | Confident | 81.9 | Confident | 116 Ų | 116 | 69.2 Ų | 69.2 | 54% | 0.542 | 34% | 0.343 | S | S | . | . | G | 310 helix | trans | -63.7 | -43.3 | 179 | -169.7 | 147.1 | 167 | 0 | 0 | 113.5 | R357 Y572 K573 | R357-E575 VanDerWaalsContact CZ-CA 3.47Å; R357-E575 IonicContact CZ-OE2 3.35Å; R357-E575 VanDerWaalsContact NH1-CG 3.32Å; R357-E575 IonicContact NH1-OE2 2.69Å; R357-E575 VanDerWaalsContact NH2-CB 3.33Å; R357-E575 IonicContact NH2-OE2 2.59Å; R357-E575 PolarHBondContact NH2-OE2 3.15Å; Y572-E575 WeakPolarHBondContact O-CB 3.08Å; Y572-E575 PolarHBondContact O-N 3.39Å; K573-E575 PolarHBondContact O-N 2.96Å |
| 576 | N | 84.1 | Confident | 79.7 | Confident | 153 Ų | 153 | 68.4 Ų | 68.4 | 82% | 0.818 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -102.4 | 12.9 | -176 | -61.8 | -42.5 | 0 | 0 | 0 | 111.6 | ||
| 577 | F | 85.7 | Confident | 77.5 | Confident | 48 Ų | 48 | 71 Ų | 71 | 21% | 0.211 | 35% | 0.353 | C | S | . | . | trans | -95.7 | 113.8 | -176.2 | -169.9 | -93.5 | 0 | 0 | 0 | 109.8 | N287 V289 C490 Y579 | N287-F577 WeakPolarHBondContact OD1-CE2 3.12Å; V289-F577 HydrophobicContact CB-CD2 4.26Å; V289-F577 HydrophobicContact CB-CE2 4.4Å; V289-F577 HydrophobicContact CG2-CB 4.02Å; V289-F577 HydrophobicContact CG2-CD1 4.48Å; V289-F577 HydrophobicContact CG2-CD2 3.56Å; V289-F577 HydrophobicContact CG2-CE2 4.17Å; V289-F577 HydrophobicContact CG2-CG 3.75Å; C490-F577 HydrophobicContact CB-CE1 3.87Å; C490-F577 HydrophobicContact CB-CZ 3.91Å; C490-F577 WeakPolarHBondContact O-CZ 3.33Å; F577-Y579 AromaticContact CD1-CD1 3.94Å; F577-Y579 HydrophobicContact CD1-CD1 3.94Å; F577-Y579 HydrophobicContact CD1-CD2 4.3Å; F577-Y579 AromaticContact CD1-CE1 3.98Å; F577-Y579 HydrophobicContact CD1-CE1 3.98Å; F577-Y579 HydrophobicContact CD1-CE2 4.33Å; F577-Y579 HydrophobicContact CD1-CG 4.12Å; F577-Y579 AromaticContact CE1-CD1 3.92Å; F577-Y579 HydrophobicContact CE1-CD1 3.92Å; F577-Y579 HydrophobicContact CE1-CE1 4.19Å; F577-Y579 HydrophobicContact CE1-CG 4.34Å; F577-Y579 PolarHBondContact O-N 3.39Å | ||
| 578 | A | 80.7 | Confident | 75.4 | Confident | 62 Ų | 62 | 75.9 Ų | 75.9 | 51% | 0.512 | 38% | 0.378 | S | S | . | . | trans | -74.2 | 121.1 | 168.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 579 | Y | 79.8 | Confident | 73.1 | Confident | 35 Ų | 35 | 77.5 Ų | 77.5 | 14% | 0.137 | 39% | 0.386 | C | S | . | . | trans | -81 | 131.7 | 177.7 | -74 | -83.5 | 0 | 0 | 0 | 109.7 | P356 R489 F577 E581 S582 | P356-Y579 HydrophobicContact CB-CE2 4.42Å; P356-Y579 HydrophobicContact CG-CE2 4.47Å; R489-Y579 HydrophobicContact CB-CD1 4.02Å; R489-Y579 HydrophobicContact CB-CE1 4.07Å; R489-Y579 WeakPolarHBondContact O-CD1 3.18Å; F577-Y579 AromaticContact CD1-CD1 3.94Å; F577-Y579 HydrophobicContact CD1-CD1 3.94Å; F577-Y579 HydrophobicContact CD1-CD2 4.3Å; F577-Y579 AromaticContact CD1-CE1 3.98Å; F577-Y579 HydrophobicContact CD1-CE1 3.98Å; F577-Y579 HydrophobicContact CD1-CE2 4.33Å; F577-Y579 HydrophobicContact CD1-CG 4.12Å; F577-Y579 AromaticContact CE1-CD1 3.92Å; F577-Y579 HydrophobicContact CE1-CD1 3.92Å; F577-Y579 HydrophobicContact CE1-CE1 4.19Å; F577-Y579 HydrophobicContact CE1-CG 4.34Å; F577-Y579 PolarHBondContact O-N 3.39Å; Y579-E581 VanDerWaalsContact C-N 3.29Å; Y579-E581 PolarHBondContact O-N 3.38Å; Y579-S582 PolarHBondContact O-N 2.68Å; Y579-S582 VanDerWaalsContact O-N 3.16Å; Y579-S582 PolarHBondContact O-OG 2.89Å | ||
| 580 | P | 71.7 | Confident | 71.1 | Confident | 20 Ų | 20 | 77.3 Ų | 77.3 | 13% | 0.13 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -59.2 | -37.1 | 180 | -25.2 | 33 | 0 | 0 | 0 | 113.7 | D492 S582 E583 D584 | D492-P580 WeakPolarHBondContact OD1-CB 2.99Å; D492-P580 WeakPolarHBondContact OD1-CG 3.28Å; P580-S582 VanDerWaalsContact C-N 3.27Å; P580-S582 PolarHBondContact O-N 3.26Å; P580-E583 PolarHBondContact O-N 2.91Å; P580-D584 PolarHBondContact O-N 3.27Å |
| 581 | E | 61.9 | Low | 69.2 | Low | 63 Ų | 63 | 85.1 Ų | 85.1 | 29% | 0.294 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -60.5 | -33.3 | 178.3 | -85.8 | -174.8 | 162.3 | 0 | 0 | 113.4 | R496 Y579 E583 F585 | R496-E581 IonicContact CZ-OE1 2.77Å; R496-E581 IonicContact NH1-OE1 3.54Å; R496-E581 PolarHBondContact NH1-OE1 3.39Å; R496-E581 IonicContact NH2-OE1 3.69Å; R496-E581 PolarHBondContact NH2-OE1 3.02Å; R496-E581 IonicContact NH2-OE2 2.61Å; Y579-E581 VanDerWaalsContact C-N 3.29Å; Y579-E581 PolarHBondContact O-N 3.38Å; E581-E583 VanDerWaalsContact C-N 3.35Å; E581-F585 WeakPolarHBondContact O-CD2 3.45Å; E581-F585 PolarHBondContact O-N 3.43Å |
| 582 | S | 57.5 | Low | 67.1 | Low | 58 Ų | 58 | 87.9 Ų | 87.9 | 41% | 0.406 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -68.5 | -37.1 | 175.3 | 29.8 | 0 | 0 | 0 | 0 | 111.5 | Y579 P580 D586 | Y579-S582 PolarHBondContact O-N 2.68Å; Y579-S582 VanDerWaalsContact O-N 3.16Å; Y579-S582 PolarHBondContact O-OG 2.89Å; P580-S582 VanDerWaalsContact C-N 3.27Å; P580-S582 PolarHBondContact O-N 3.26Å; S582-D586 WeakPolarHBondContact O-CB 3.29Å; S582-D586 VanDerWaalsContact O-CG 3.23Å; S582-D586 PolarHBondContact O-N 2.79Å |
| 583 | E | 52.5 | Low | 65.2 | Low | 106 Ų | 106 | 88.5 Ų | 88.5 | 50% | 0.495 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -71.1 | -38.3 | -180 | -64.1 | -175.3 | 177.3 | 0 | 0 | 112.1 | P580 E581 N587 | P580-E583 PolarHBondContact O-N 2.91Å; E581-E583 VanDerWaalsContact C-N 3.35Å; E583-N587 WeakPolarHBondContact O-CB 3.21Å; E583-N587 PolarHBondContact O-N 2.64Å; E583-N587 PolarHBondContact O-ND2 3.05Å |
| 584 | D | 52.4 | Low | 63.6 | Low | 80 Ų | 80 | 91.1 Ų | 91.1 | 43% | 0.428 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -66.4 | -42.1 | 176.1 | -76.7 | -26.7 | 0 | 0 | 0 | 111.9 | P580 N587 D588 | P580-D584 PolarHBondContact O-N 3.27Å; D584-N587 PolarHBondContact O-N 3.3Å; D584-D588 WeakPolarHBondContact O-CB 3.49Å; D584-D588 PolarHBondContact O-N 3.32Å |
| 585 | F | 51.5 | Low | 61.9 | Low | 143 Ų | 143 | 96.4 Ų | 96.4 | 63% | 0.627 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -66.9 | -39.8 | 176.3 | -97.3 | -85.7 | 0 | 0 | 0 | 112.8 | E581 N589 | E581-F585 WeakPolarHBondContact O-CD2 3.45Å; E581-F585 PolarHBondContact O-N 3.43Å; F585-N589 WeakPolarHBondContact O-CB 3.05Å; F585-N589 VanDerWaalsContact O-CG 3.24Å; F585-N589 PolarHBondContact O-N 2.75Å; F585-N589 PolarHBondContact O-ND2 3.11Å |
| 586 | D | 50 | Low | 60.7 | Low | 96 Ų | 96 | 94.7 Ų | 94.7 | 51% | 0.513 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -68.1 | -42.2 | 176.3 | -70.9 | -25.1 | 0 | 0 | 0 | 110.6 | S582 N589 D590 | S582-D586 WeakPolarHBondContact O-CB 3.29Å; S582-D586 VanDerWaalsContact O-CG 3.23Å; S582-D586 PolarHBondContact O-N 2.79Å; D586-N589 PolarHBondContact O-N 2.79Å; D586-D590 WeakPolarHBondContact O-CB 3.34Å; D586-D590 PolarHBondContact O-N 2.75Å |
| 587 | N | 51.2 | Low | 59.6 | Low | 78 Ų | 78 | 94.3 Ų | 94.3 | 42% | 0.417 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -65.4 | -40.2 | 175.4 | -77.5 | -38.5 | 0 | 0 | 0 | 113.3 | E583 D584 D590 R591 | E583-N587 WeakPolarHBondContact O-CB 3.21Å; E583-N587 PolarHBondContact O-N 2.64Å; E583-N587 PolarHBondContact O-ND2 3.05Å; D584-N587 PolarHBondContact O-N 3.3Å; N587-D590 PolarHBondContact O-N 3.48Å; N587-R591 WeakPolarHBondContact O-CB 3.11Å; N587-R591 VanDerWaalsContact O-CG 3.26Å; N587-R591 WeakPolarHBondContact O-CG 3.18Å; N587-R591 PolarHBondContact O-N 2.95Å |
| 588 | D | 53 | Low | 58.5 | Low | 101 Ų | 101 | 95.9 Ų | 95.9 | 54% | 0.54 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -68.9 | -36.8 | 176.1 | -85.6 | -14.2 | 0 | 0 | 0 | 111.3 | D584 M592 | D584-D588 WeakPolarHBondContact O-CB 3.49Å; D584-D588 PolarHBondContact O-N 3.32Å; D588-M592 VanDerWaalsContact O-CB 3.3Å; D588-M592 WeakPolarHBondContact O-CB 3.42Å; D588-M592 PolarHBondContact O-N 2.7Å |
| 589 | N | 49.6 | Very low | 57.5 | Low | 76 Ų | 76 | 98 Ų | 98 | 41% | 0.406 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.7 | -47.2 | 171.6 | -78 | -29.4 | 0 | 0 | 0 | 111.2 | F585 D586 R591 M592 Y593 | F585-N589 WeakPolarHBondContact O-CB 3.05Å; F585-N589 VanDerWaalsContact O-CG 3.24Å; F585-N589 PolarHBondContact O-N 2.75Å; F585-N589 PolarHBondContact O-ND2 3.11Å; D586-N589 PolarHBondContact O-N 2.79Å; N589-R591 VanDerWaalsContact C-N 3.34Å; N589-R591 PolarHBondContact O-N 2.99Å; N589-M592 CarbonylContact O-C 3.57Å; N589-M592 WeakPolarHBondContact O-CB 2.84Å; N589-M592 PolarHBondContact O-N 3.48Å; N589-M592 VanDerWaalsContact O-N 3.11Å; N589-Y593 HydrophobicContact CB-CD2 4.48Å; N589-Y593 HydrophobicContact CB-CE2 4.47Å; N589-Y593 WeakPolarHBondContact O-CD2 3.49Å; N589-Y593 PolarHBondContact O-N 3.23Å |
| 590 | D | 53.4 | Low | 56.5 | Low | 97 Ų | 97 | 98.8 Ų | 98.8 | 52% | 0.519 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.2 | -41.5 | 178.2 | -77.7 | -15.8 | 0 | 0 | 0 | 111.6 | D586 N587 Y593 E594 | D586-D590 WeakPolarHBondContact O-CB 3.34Å; D586-D590 PolarHBondContact O-N 2.75Å; N587-D590 PolarHBondContact O-N 3.48Å; D590-Y593 PolarHBondContact O-N 2.66Å; D590-E594 PolarHBondContact O-N 3.42Å |
| 591 | R | 56.3 | Low | 55.9 | Low | 163 Ų | 163 | 100.4 Ų | 100.4 | 62% | 0.615 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.6 | -37.6 | 172.7 | -74.6 | 177.3 | -171.6 | 173.1 | 6.9 | 112.4 | N587 N589 H595 | N587-R591 WeakPolarHBondContact O-CB 3.11Å; N587-R591 VanDerWaalsContact O-CG 3.26Å; N587-R591 WeakPolarHBondContact O-CG 3.18Å; N587-R591 PolarHBondContact O-N 2.95Å; N589-R591 VanDerWaalsContact C-N 3.34Å; N589-R591 PolarHBondContact O-N 2.99Å; R591-H595 WeakPolarHBondContact O-CB 3.43Å; R591-H595 PolarHBondContact O-N 3.1Å |
| 592 | M | 51.6 | Low | 55.4 | Low | 121 Ų | 121 | 101.9 Ų | 101.9 | 60% | 0.596 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.5 | -42.3 | 174.6 | -170.9 | 110.9 | 103.2 | 0 | 0 | 110.7 | D588 N589 H595 D596 | D588-M592 VanDerWaalsContact O-CB 3.3Å; D588-M592 WeakPolarHBondContact O-CB 3.42Å; D588-M592 PolarHBondContact O-N 2.7Å; N589-M592 CarbonylContact O-C 3.57Å; N589-M592 WeakPolarHBondContact O-CB 2.84Å; N589-M592 PolarHBondContact O-N 3.48Å; N589-M592 VanDerWaalsContact O-N 3.11Å; M592-H595 PolarHBondContact O-N 3.14Å; M592-D596 WeakPolarHBondContact O-CB 3.04Å; M592-D596 PolarHBondContact O-N 2.96Å |
| 593 | Y | 54.8 | Low | 55.1 | Low | 163 Ų | 163 | 106.4 Ų | 106.4 | 64% | 0.639 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.8 | -47.4 | 173.9 | -81.6 | -69.7 | 0 | 0 | 0 | 111.6 | N589 D590 H595 D596 E597 | N589-Y593 HydrophobicContact CB-CD2 4.48Å; N589-Y593 HydrophobicContact CB-CE2 4.47Å; N589-Y593 WeakPolarHBondContact O-CD2 3.49Å; N589-Y593 PolarHBondContact O-N 3.23Å; D590-Y593 PolarHBondContact O-N 2.66Å; Y593-H595 VanDerWaalsContact C-N 3.29Å; Y593-H595 PolarHBondContact O-N 3.46Å; Y593-D596 PolarHBondContact O-N 3.49Å; Y593-E597 WeakPolarHBondContact O-CB 3.36Å; Y593-E597 WeakPolarHBondContact O-CG 3.24Å; Y593-E597 PolarHBondContact O-N 2.01Å |
| 594 | E | 58.9 | Low | 54.9 | Low | 131 Ų | 131 | 108 Ų | 108 | 61% | 0.612 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -58.3 | -42.5 | 173.2 | -83 | -173.8 | 154.7 | 0 | 0 | 111.4 | D590 D596 E597 V598 | D590-E594 PolarHBondContact O-N 3.42Å; E594-D596 VanDerWaalsContact C-N 3.34Å; E594-D596 PolarHBondContact O-N 2.94Å; E594-E597 PolarHBondContact O-N 2.04Å; E594-V598 WeakPolarHBondContact O-CB 3.47Å; E594-V598 VanDerWaalsContact O-CG2 3.25Å; E594-V598 WeakPolarHBondContact O-CG2 3.05Å; E594-V598 PolarHBondContact O-N 2.8Å |
| 595 | H | 55.5 | Low | 54.6 | Low | 114 Ų | 114 | 111.9 Ų | 111.9 | 53% | 0.528 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -69.9 | -31.5 | -178.9 | -154.5 | -46 | 0 | 0 | 0 | 112.6 | R591 M592 Y593 K599 | R591-H595 WeakPolarHBondContact O-CB 3.43Å; R591-H595 PolarHBondContact O-N 3.1Å; M592-H595 PolarHBondContact O-N 3.14Å; Y593-H595 VanDerWaalsContact C-N 3.29Å; Y593-H595 PolarHBondContact O-N 3.46Å; H595-K599 WeakPolarHBondContact O-CG 3.44Å; H595-K599 PolarHBondContact O-N 3.19Å; H595-K599 VanDerWaalsContact O-N 3.15Å |
| 596 | D | 63.7 | Low | 54 | Low | 81 Ų | 81 | 110.4 Ų | 110.4 | 43% | 0.433 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -78.9 | -34.4 | 174.6 | -76.4 | -18.1 | 0 | 0 | 0 | 112.1 | M592 Y593 E594 K599 A600 | M592-D596 WeakPolarHBondContact O-CB 3.04Å; M592-D596 PolarHBondContact O-N 2.96Å; Y593-D596 PolarHBondContact O-N 3.49Å; E594-D596 VanDerWaalsContact C-N 3.34Å; E594-D596 PolarHBondContact O-N 2.94Å; D596-K599 PolarHBondContact O-N 3.14Å; D596-K599 IonicContact OD1-NZ 2.65Å; D596-A600 WeakPolarHBondContact O-CB 3Å; D596-A600 PolarHBondContact O-N 3.47Å |
| 597 | E | 60.2 | Low | 53.3 | Low | 144 Ų | 144 | 108.2 Ų | 108.2 | 67% | 0.673 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -62.8 | -43.5 | 169.5 | -78.7 | -167.3 | 167 | 0 | 0 | 111.6 | Y593 E594 K599 A600 A601 | Y593-E597 WeakPolarHBondContact O-CB 3.36Å; Y593-E597 WeakPolarHBondContact O-CG 3.24Å; Y593-E597 PolarHBondContact O-N 2.01Å; E594-E597 PolarHBondContact O-N 2.04Å; E597-K599 VanDerWaalsContact C-N 3.33Å; E597-K599 PolarHBondContact O-N 3.26Å; E597-A600 PolarHBondContact O-N 2.7Å; E597-A601 WeakPolarHBondContact O-CB 3.48Å; E597-A601 PolarHBondContact O-N 3.31Å |
| 598 | V | 63.3 | Low | 52.7 | Low | 81 Ų | 81 | 110.2 Ų | 110.2 | 49% | 0.491 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -63.8 | -38.8 | 175.5 | 171.2 | 0 | 0 | 0 | 0 | 111.4 | E594 N602 | E594-V598 WeakPolarHBondContact O-CB 3.47Å; E594-V598 VanDerWaalsContact O-CG2 3.25Å; E594-V598 WeakPolarHBondContact O-CG2 3.05Å; E594-V598 PolarHBondContact O-N 2.8Å; V598-N602 WeakPolarHBondContact O-CB 3.03Å; V598-N602 VanDerWaalsContact O-CG 3.29Å; V598-N602 PolarHBondContact O-N 2.77Å; V598-N602 PolarHBondContact O-ND2 2.66Å |
| 599 | K | 59.2 | Low | 51.9 | Low | 108 Ų | 108 | 113.5 Ų | 113.5 | 47% | 0.47 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -66.2 | -41.2 | 173.6 | -78.1 | 172.5 | -172.9 | 159.1 | 0 | 112.1 | H595 D596 E597 N602 M603 | H595-K599 WeakPolarHBondContact O-CG 3.44Å; H595-K599 PolarHBondContact O-N 3.19Å; H595-K599 VanDerWaalsContact O-N 3.15Å; D596-K599 PolarHBondContact O-N 3.14Å; D596-K599 IonicContact OD1-NZ 2.65Å; E597-K599 VanDerWaalsContact C-N 3.33Å; E597-K599 PolarHBondContact O-N 3.26Å; K599-N602 PolarHBondContact O-N 3.49Å; K599-M603 WeakPolarHBondContact O-CB 2.89Å; K599-M603 WeakPolarHBondContact O-CG 3.37Å; K599-M603 PolarHBondContact O-N 3.38Å |
| 600 | A | 58.3 | Low | 51.2 | Low | 50 Ų | 50 | 118.1 Ų | 118.1 | 41% | 0.413 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -65.7 | -40.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | D596 E597 M603 N604 | D596-A600 WeakPolarHBondContact O-CB 3Å; D596-A600 PolarHBondContact O-N 3.47Å; E597-A600 PolarHBondContact O-N 2.7Å; A600-M603 PolarHBondContact O-N 2.84Å; A600-N604 PolarHBondContact O-N 2.78Å; A600-N604 VanDerWaalsContact O-N 3.15Å; A600-N604 PolarHBondContact O-ND2 2.75Å |
| 601 | A | 59.9 | Low | 50.2 | Low | 54 Ų | 54 | 123.1 Ų | 123.1 | 45% | 0.446 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -61.4 | -46.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | E597 M603 N604 E605 | E597-A601 WeakPolarHBondContact O-CB 3.48Å; E597-A601 PolarHBondContact O-N 3.31Å; A601-M603 PolarHBondContact O-N 2.82Å; A601-N604 PolarHBondContact O-N 2.81Å; A601-E605 PolarHBondContact O-N 3.21Å |
| 602 | N | 50.1 | Low | 49.1 | Very low | 95 Ų | 95 | 123 Ų | 123 | 51% | 0.508 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -67.9 | -31.4 | 178.2 | -73.5 | -17 | 0 | 0 | 0 | 113.4 | V598 K599 N604 E605 | V598-N602 WeakPolarHBondContact O-CB 3.03Å; V598-N602 VanDerWaalsContact O-CG 3.29Å; V598-N602 PolarHBondContact O-N 2.77Å; V598-N602 PolarHBondContact O-ND2 2.66Å; K599-N602 PolarHBondContact O-N 3.49Å; N602-N604 VanDerWaalsContact C-N 3.35Å; N602-E605 PolarHBondContact O-N 3.47Å |
| 603 | M | 51.1 | Low | 48.6 | Very low | 152 Ų | 152 | 126.3 Ų | 126.3 | 75% | 0.749 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -70 | -31.8 | 174.6 | -83.8 | -176.7 | 168.5 | 0 | 0 | 112.5 | K599 A600 A601 E605 C606 | K599-M603 WeakPolarHBondContact O-CB 2.89Å; K599-M603 WeakPolarHBondContact O-CG 3.37Å; K599-M603 PolarHBondContact O-N 3.38Å; A600-M603 PolarHBondContact O-N 2.84Å; A601-M603 PolarHBondContact O-N 2.82Å; M603-E605 VanDerWaalsContact C-N 3.33Å; M603-C606 PolarHBondContact O-N 2.83Å |
| 604 | N | 48.4 | Very low | 47.5 | Very low | 140 Ų | 140 | 123 Ų | 123 | 75% | 0.749 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -74.7 | -22.3 | 176 | -72.4 | -21.6 | 0 | 0 | 0 | 113 | A600 A601 N602 | A600-N604 PolarHBondContact O-N 2.78Å; A600-N604 VanDerWaalsContact O-N 3.15Å; A600-N604 PolarHBondContact O-ND2 2.75Å; A601-N604 PolarHBondContact O-N 2.81Å; N602-N604 VanDerWaalsContact C-N 3.35Å |
| 605 | E | 47.6 | Very low | 46.4 | Very low | 162 Ų | 162 | 126 Ų | 126 | 76% | 0.757 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -79 | -19.9 | 174.1 | -71.2 | -169.1 | 165.8 | 0 | 0 | 113.4 | A601 N602 M603 G607 | A601-E605 PolarHBondContact O-N 3.21Å; N602-E605 PolarHBondContact O-N 3.47Å; M603-E605 VanDerWaalsContact C-N 3.33Å; E605-G607 VanDerWaalsContact C-N 3.26Å; E605-G607 PolarHBondContact O-N 2.97Å |
| 606 | C | 37.4 | Very low | 45.5 | Very low | 111 Ų | 111 | 134.1 Ų | 134.1 | 75% | 0.75 | 71% | 0.706 | S | S | * | * | trans | -90.8 | 49.2 | 172.7 | -76.7 | 0 | 0 | 0 | 0 | 112.2 | M603 | M603-C606 PolarHBondContact O-N 2.83Š| ||
| 607 | G | 35.9 | Very low | 44.5 | Very low | 50 Ų | 50 | 136.8 Ų | 136.8 | 52% | 0.515 | 72% | 0.72 | S | S | . | * | trans | -75.8 | 134.9 | 162.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | E605 N609 | E605-G607 VanDerWaalsContact C-N 3.26Å; E605-G607 PolarHBondContact O-N 2.97Å; G607-N609 PolarHBondContact O-N 2.92Å | ||
| 608 | P | 39.5 | Very low | 43.7 | Very low | 120 Ų | 120 | 136.4 Ų | 136.4 | 78% | 0.779 | 72% | 0.722 | S | S | * | * | trans | -76.6 | 100.5 | -164.3 | 30.7 | -33.8 | 0 | 0 | 0 | 111.8 | E610 | P608-E610 PolarHBondContact O-N 2.9Å; P608-E610 VanDerWaalsContact O-N 3.12Å | ||
| 609 | N | 34.9 | Very low | 42.6 | Very low | 170 Ų | 170 | 139.4 Ų | 139.4 | 91% | 0.909 | 74% | 0.735 | S | S | * | * | trans | -80.1 | 58.7 | 155.1 | -89.4 | -18.4 | 0 | 0 | 0 | 110 | G607 | G607-N609 PolarHBondContact O-N 2.92Š| ||
| 610 | E | 35.3 | Very low | 41.7 | Very low | 174 Ų | 174 | 141.3 Ų | 141.3 | 81% | 0.813 | 75% | 0.751 | S | S | * | * | trans | -114.4 | 80.5 | 158.2 | -92.2 | -168.4 | 158.1 | 0 | 0 | 107.6 | P608 | P608-E610 PolarHBondContact O-N 2.9Å; P608-E610 VanDerWaalsContact O-N 3.12Å | ||
| 611 | K | 33.4 | Very low | 40.6 | Very low | 201 Ų | 201 | 147 Ų | 147 | 87% | 0.874 | 77% | 0.772 | S | S | * | * | trans | -166.7 | 136.3 | 155.3 | -104.1 | 158 | -163 | -174.4 | 0 | 109.1 | ||||
| 612 | M | 32.9 | Very low | 39.3 | Very low | 162 Ų | 162 | 153.2 Ų | 153.2 | 80% | 0.798 | 79% | 0.794 | S | S | * | * | trans | 80.2 | 77 | 169.8 | -68.9 | 177.9 | 156.5 | 0 | 0 | 117.6 | ||||
| 613 | L | 39.8 | Very low | 38.6 | Very low | 189 Ų | 189 | 157.4 Ų | 157.4 | 99% | 0.99 | 81% | 0.814 | S | S | * | * | -105.9 | 82.6 | 126.6 | -93.5 | 156.5 | 0 | 0 | 0 | 108.1 | |||||
| 614 | T | 32.6 | Very low | 37.6 | Very low | 93 Ų | 93 | 157.8 Ų | 157.8 | 57% | 0.571 | 82% | 0.819 | S | S | * | * | trans | -93.3 | 125.4 | 158.8 | 42.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 615 | Q | 36.7 | Very low | 36.7 | Very low | 194 Ų | 194 | 159.3 Ų | 159.3 | 91% | 0.907 | 83% | 0.825 | S | S | * | * | 177 | 145.8 | 114.1 | -99.3 | 175.2 | -23.3 | 0 | 0 | 111.6 | |||||
| 616 | K | 34.7 | Very low | 35.7 | Very low | 285 Ų | 285 | 159 Ų | 159 | 100% | 1.239 | 83% | 0.831 | S | S | * | * | trans | -46.9 | 0 | 177.5 | -82.9 | 170.7 | 165.7 | 176.6 | 0 | 114.9 |
Retrieved 616 of 616 residues in 847.4 ms
(Link to these results)