| 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 | 32.6 | Very low | 55 | Low | 210 Ų | 210 | 102.7 Ų | 102.7 | 100% | 1.034 | 53% | 0.53 | S | S | * | . | 0 | 52.1 | 0 | -153.3 | 163.4 | 86.7 | 0 | 0 | 107.5 | |||||
| 2 | D | 31.1 | Very low | 56.3 | Low | 158 Ų | 158 | 97.9 Ų | 97.9 | 85% | 0.845 | 52% | 0.524 | S | S | * | . | trans | -123.1 | 26.4 | -146 | -42 | -48.1 | 0 | 0 | 0 | 113.5 | ||||
| 3 | Q | 43.3 | Very low | 57.7 | Low | 139 Ų | 139 | 95.9 Ų | 95.9 | 65% | 0.65 | 51% | 0.505 | S | S | * | . | trans | -121.5 | 19.3 | 177.8 | -72.8 | -171.5 | -13 | 0 | 0 | 113.7 | ||||
| 4 | A | 47.7 | Very low | 59.1 | Low | 85 Ų | 85 | 91.2 Ų | 91.2 | 70% | 0.702 | 48% | 0.48 | S | S | * | . | S | Bend | trans | -99.1 | 106 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||
| 5 | L | 54.3 | Low | 60.1 | Low | 83 Ų | 83 | 87.1 Ų | 87.1 | 44% | 0.435 | 47% | 0.469 | S | S | . | . | trans | 37.8 | 115.1 | 161.8 | -133 | 82.5 | 0 | 0 | 0 | 117.2 | L7 F9 L10 M47 | L5-L7 PolarHBondContact O-N 2.84Å; L5-F9 HydrophobicContact CD1-CD1 4.11Å; L5-F9 HydrophobicContact CD1-CE1 4.12Å; L5-F9 HydrophobicContact CD2-CD1 3.83Å; L5-F9 HydrophobicContact CD2-CE1 4.21Å; L5-F9 HydrophobicContact CG-CD1 3.73Å; L5-F9 HydrophobicContact CG-CE1 4.21Å; L5-L10 HydrophobicContact CD2-CB 4.45Å; L5-L10 HydrophobicContact CD2-CD1 4.22Å; L5-M47 HydrophobicContact CD2-SD 4Å | ||
| 6 | S | 63.8 | Low | 61.2 | Low | 71 Ų | 71 | 81.8 Ų | 81.8 | 50% | 0.497 | 44% | 0.44 | S | S | . | . | trans | -55.5 | 130.5 | 175.3 | 178.8 | 0 | 0 | 0 | 0 | 111 | W8 F9 L10 | S6-W8 PolarHBondContact O-N 3.04Å; S6-W8 VanDerWaalsContact O-N 3.16Å; S6-W8 PolarHBondContact OG-N 3.36Å; S6-F9 WeakPolarHBondContact O-CA 3.02Å; S6-F9 VanDerWaalsContact O-CB 3.24Å; S6-F9 WeakPolarHBondContact O-CB 3.47Å; S6-F9 PolarHBondContact O-N 3.41Å; S6-L10 PolarHBondContact O-N 2.9Å; S6-L10 VanDerWaalsContact O-N 3.09Å | ||
| 7 | L | 64.8 | Low | 62.3 | Low | 46 Ų | 46 | 77.1 Ų | 77.1 | 24% | 0.241 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -53.6 | -36.9 | 175.7 | 177.5 | 61.3 | 0 | 0 | 0 | 111.6 | L5 F9 L10 L11 Y51 | L5-L7 PolarHBondContact O-N 2.84Å; L7-F9 VanDerWaalsContact C-N 3.29Å; L7-F9 PolarHBondContact O-N 2.79Å; L7-L10 PolarHBondContact O-N 2.76Å; L7-L11 HydrophobicContact CD1-CD1 4.37Å; L7-L11 HydrophobicContact CD1-CG 4.3Å; L7-L11 HydrophobicContact CG-CD1 4.08Å; L7-L11 HydrophobicContact CG-CG 4.45Å; L7-L11 WeakPolarHBondContact O-CB 3.35Å; L7-L11 WeakPolarHBondContact O-CG 3.13Å; L7-L11 PolarHBondContact O-N 3.06Å; L7-Y51 HydrophobicContact CD1-CD1 4.15Å; L7-Y51 HydrophobicContact CD1-CE1 3.68Å |
| 8 | W | 63.2 | Low | 63.2 | Low | 206 Ų | 206 | 75.1 Ų | 75.1 | 78% | 0.78 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -64.8 | -33.2 | 175.8 | -64.3 | 109.4 | 0 | 0 | 0 | 113.1 | S6 G12 | S6-W8 PolarHBondContact O-N 3.04Å; S6-W8 VanDerWaalsContact O-N 3.16Å; S6-W8 PolarHBondContact OG-N 3.36Å; W8-G12 PolarHBondContact O-N 2.9Å |
| 9 | F | 66.8 | Low | 63.9 | Low | 53 Ų | 53 | 73.3 Ų | 73.3 | 23% | 0.232 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -69.8 | -42.7 | 174.8 | -179.2 | -94.7 | 0 | 0 | 0 | 110.8 | L5 S6 L7 G12 W13 | L5-F9 HydrophobicContact CD1-CD1 4.11Å; L5-F9 HydrophobicContact CD1-CE1 4.12Å; L5-F9 HydrophobicContact CD2-CD1 3.83Å; L5-F9 HydrophobicContact CD2-CE1 4.21Å; L5-F9 HydrophobicContact CG-CD1 3.73Å; L5-F9 HydrophobicContact CG-CE1 4.21Å; S6-F9 WeakPolarHBondContact O-CA 3.02Å; S6-F9 VanDerWaalsContact O-CB 3.24Å; S6-F9 WeakPolarHBondContact O-CB 3.47Å; S6-F9 PolarHBondContact O-N 3.41Å; L7-F9 VanDerWaalsContact C-N 3.29Å; L7-F9 PolarHBondContact O-N 2.79Å; F9-G12 PolarHBondContact O-N 3.29Å; F9-W13 HydrophobicContact CD1-CE3 4.29Å; F9-W13 AromaticContact CE1-CE3 3.57Å; F9-W13 HydrophobicContact CE1-CE3 3.57Å; F9-W13 AromaticContact CE1-CZ3 3.78Å; F9-W13 HydrophobicContact CE1-CZ3 3.78Å; F9-W13 HydrophobicContact CZ-CE3 4.22Å; F9-W13 HydrophobicContact CZ-CZ3 4.36Å; F9-W13 PolarHBondContact O-N 2.91Å |
| 10 | L | 67.5 | Low | 64.6 | Low | 4 Ų | 4 | 70.6 Ų | 70.6 | 2% | 0.021 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -65.5 | -41.3 | 176.9 | -171.1 | 62.5 | 0 | 0 | 0 | 112.5 | L5 S6 L7 G12 W13 I14 M47 L48 Y51 | L5-L10 HydrophobicContact CD2-CB 4.45Å; L5-L10 HydrophobicContact CD2-CD1 4.22Å; S6-L10 PolarHBondContact O-N 2.9Å; S6-L10 VanDerWaalsContact O-N 3.09Å; L7-L10 PolarHBondContact O-N 2.76Å; L10-G12 VanDerWaalsContact C-N 3.34Å; L10-W13 PolarHBondContact O-N 3.46Å; L10-I14 PolarHBondContact O-N 3.45Å; L10-I14 VanDerWaalsContact O-N 3.1Å; L10-M47 HydrophobicContact CD1-CB 4.2Å; L10-M47 HydrophobicContact CD1-CE 4.2Å; L10-M47 HydrophobicContact CD1-CG 3.9Å; L10-M47 HydrophobicContact CD1-SD 3.5Å; L10-M47 VanDerWaalsContact CD1-SD 3.5Å; L10-L48 HydrophobicContact CD2-CB 4.32Å; L10-L48 HydrophobicContact CD2-CD1 3.65Å; L10-L48 HydrophobicContact CG-CD1 4.18Å; L10-Y51 HydrophobicContact CD2-CG 4.38Å |
| 11 | L | 70.6 | Confident | 65.2 | Low | 75 Ų | 75 | 68.6 Ų | 68.6 | 39% | 0.393 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -65.7 | -37 | 175.5 | -71.7 | 173.5 | 0 | 0 | 0 | 112.4 | L7 W13 I14 G15 | L7-L11 HydrophobicContact CD1-CD1 4.37Å; L7-L11 HydrophobicContact CD1-CG 4.3Å; L7-L11 HydrophobicContact CG-CD1 4.08Å; L7-L11 HydrophobicContact CG-CG 4.45Å; L7-L11 WeakPolarHBondContact O-CB 3.35Å; L7-L11 WeakPolarHBondContact O-CG 3.13Å; L7-L11 PolarHBondContact O-N 3.06Å; L11-W13 VanDerWaalsContact C-N 3.32Å; L11-I14 VanDerWaalsContact O-CG2 3.25Å; L11-I14 WeakPolarHBondContact O-CG2 3.26Å; L11-G15 PolarHBondContact O-N 2.91Å; L11-G15 VanDerWaalsContact O-N 3.12Å |
| 12 | G | 70.6 | Confident | 67.2 | Low | 45 Ų | 45 | 62.8 Ų | 62.8 | 46% | 0.464 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.9 | -35.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | W8 F9 L10 G16 | W8-G12 PolarHBondContact O-N 2.9Å; F9-G12 PolarHBondContact O-N 3.29Å; L10-G12 VanDerWaalsContact C-N 3.34Å; G12-G16 PolarHBondContact O-N 2.83Å |
| 13 | W | 74.4 | Confident | 69 | Low | 72 Ų | 72 | 55.3 Ų | 55.3 | 27% | 0.273 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -66 | -51.1 | 177.9 | -150.9 | -28.9 | 0 | 0 | 0 | 111.3 | F9 L10 L11 G15 G16 D17 | F9-W13 HydrophobicContact CD1-CE3 4.29Å; F9-W13 AromaticContact CE1-CE3 3.57Å; F9-W13 HydrophobicContact CE1-CE3 3.57Å; F9-W13 AromaticContact CE1-CZ3 3.78Å; F9-W13 HydrophobicContact CE1-CZ3 3.78Å; F9-W13 HydrophobicContact CZ-CE3 4.22Å; F9-W13 HydrophobicContact CZ-CZ3 4.36Å; F9-W13 PolarHBondContact O-N 2.91Å; L10-W13 PolarHBondContact O-N 3.46Å; L11-W13 VanDerWaalsContact C-N 3.32Å; W13-G15 VanDerWaalsContact C-N 3.25Å; W13-G15 PolarHBondContact O-N 3.29Å; W13-G16 WeakPolarHBondContact O-CA 3.18Å; W13-G16 PolarHBondContact O-N 3.06Å; W13-D17 VanDerWaalsContact CD1-OD1 3.22Å; W13-D17 PolarHBondContact NE1-OD1 3.47Å; W13-D17 PolarHBondContact O-N 3.27Å |
| 14 | I | 76.8 | Confident | 70.5 | Confident | 30 Ų | 30 | 48.7 Ų | 48.7 | 15% | 0.154 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.5 | -33.3 | 179.3 | -168.9 | 159.4 | 0 | 0 | 0 | 112 | L10 L11 S18 D44 L45 L48 | L10-I14 PolarHBondContact O-N 3.45Å; L10-I14 VanDerWaalsContact O-N 3.1Å; L11-I14 VanDerWaalsContact O-CG2 3.25Å; L11-I14 WeakPolarHBondContact O-CG2 3.26Å; I14-S18 WeakPolarHBondContact O-CB 3.32Å; I14-S18 PolarHBondContact O-N 3.26Å; I14-S18 PolarHBondContact O-OG 2.86Å; I14-D44 WeakPolarHBondContact CA-OD2 3.34Å; I14-D44 HydrophobicContact CB-CB 4.14Å; I14-D44 HydrophobicContact CD1-CB 4.31Å; I14-D44 HydrophobicContact CG1-CB 4.23Å; I14-D44 PolarHBondContact N-OD2 3.02Å; I14-L45 HydrophobicContact CD1-CD2 3.71Å; I14-L45 HydrophobicContact CD1-CG 4.15Å; I14-L48 HydrophobicContact CD1-CD2 4.39Å |
| 15 | G | 75.1 | Confident | 71.7 | Confident | 30 Ų | 30 | 50.3 Ų | 50.3 | 31% | 0.309 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65 | -45.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L11 W13 C19 | L11-G15 PolarHBondContact O-N 2.91Å; L11-G15 VanDerWaalsContact O-N 3.12Å; W13-G15 VanDerWaalsContact C-N 3.25Å; W13-G15 PolarHBondContact O-N 3.29Å; G15-C19 WeakPolarHBondContact O-CB 3.22Å; G15-C19 PolarHBondContact O-N 3.42Å; G15-C19 PolarHBondContact O-SG 3.46Å |
| 16 | G | 77.6 | Confident | 72.2 | Confident | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.01 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.7 | -51.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | G12 W13 S18 C19 N20 S126 | G12-G16 PolarHBondContact O-N 2.83Å; W13-G16 WeakPolarHBondContact O-CA 3.18Å; W13-G16 PolarHBondContact O-N 3.06Å; G16-S18 VanDerWaalsContact C-N 3.31Å; G16-S18 PolarHBondContact O-N 2.91Å; G16-C19 PolarHBondContact O-N 2.86Å; G16-N20 WeakPolarHBondContact O-CB 3.49Å; G16-N20 PolarHBondContact O-N 3.16Å; G16-S126 PolarHBondContact O-OG 3.32Å |
| 17 | D | 79.9 | Confident | 72.2 | Confident | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.011 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.9 | -39.4 | -178.4 | -70.1 | 1.6 | 0 | 0 | 0 | 111.7 | W13 N20 L21 Y40 V41 D44 Y130 | W13-D17 VanDerWaalsContact CD1-OD1 3.22Å; W13-D17 PolarHBondContact NE1-OD1 3.47Å; W13-D17 PolarHBondContact O-N 3.27Å; D17-N20 PolarHBondContact O-N 2.93Å; D17-L21 WeakPolarHBondContact O-CB 3.39Å; D17-L21 PolarHBondContact O-N 3.28Å; D17-Y40 WeakPolarHBondContact OD2-CB 3.24Å; D17-V41 HydrophobicContact CB-CG2 3.82Å; D17-V41 WeakPolarHBondContact O-CG2 3.3Å; D17-D44 VanDerWaalsContact OD2-CG 3.27Å; D17-Y130 VanDerWaalsContact CA-OH 3.32Å; D17-Y130 WeakPolarHBondContact CA-OH 3.48Å; D17-Y130 PolarHBondContact N-OH 3.47Å; D17-Y130 WeakPolarHBondContact OD1-CE1 3.44Å; D17-Y130 VanDerWaalsContact OD1-CZ 3.3Å; D17-Y130 PolarHBondContact OD1-OH 2.72Å |
| 18 | S | 77.1 | Confident | 72.2 | Confident | 42 Ų | 42 | 50.4 Ų | 50.4 | 29% | 0.294 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -65.6 | -45.2 | 175.6 | -60 | 0 | 0 | 0 | 0 | 111.8 | I14 G16 N20 L21 I22 | I14-S18 WeakPolarHBondContact O-CB 3.32Å; I14-S18 PolarHBondContact O-N 3.26Å; I14-S18 PolarHBondContact O-OG 2.86Å; G16-S18 VanDerWaalsContact C-N 3.31Å; G16-S18 PolarHBondContact O-N 2.91Å; S18-N20 VanDerWaalsContact C-N 3.32Å; S18-N20 PolarHBondContact O-N 3.31Å; S18-L21 PolarHBondContact O-N 3.44Å; S18-I22 WeakPolarHBondContact O-CB 3.33Å; S18-I22 WeakPolarHBondContact O-CD1 3.31Å; S18-I22 VanDerWaalsContact O-CG1 3.23Å; S18-I22 WeakPolarHBondContact O-CG1 3.4Å; S18-I22 PolarHBondContact O-N 2.96Å |
| 19 | C | 76.6 | Confident | 72.3 | Confident | 40 Ų | 40 | 41.2 Ų | 41.2 | 27% | 0.27 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -62 | -41.2 | 174.5 | -74.2 | 0 | 0 | 0 | 0 | 111.4 | G15 G16 L21 I22 G23 I122 | G15-C19 WeakPolarHBondContact O-CB 3.22Å; G15-C19 PolarHBondContact O-N 3.42Å; G15-C19 PolarHBondContact O-SG 3.46Å; G16-C19 PolarHBondContact O-N 2.86Å; C19-L21 PolarHBondContact O-N 3.29Å; C19-I22 PolarHBondContact O-N 3.04Å; C19-G23 PolarHBondContact O-N 3.42Å; C19-I122 HydrophobicContact CB-CG2 3.98Å; C19-I122 VanDerWaalsContact O-CG2 3.26Å; C19-I122 WeakPolarHBondContact O-CG2 3.41Å |
| 20 | N | 77.7 | Confident | 72.4 | Confident | 20 Ų | 20 | 40.1 Ų | 40.1 | 11% | 0.107 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.6 | -40.9 | 177.8 | -169.3 | 30.1 | 0 | 0 | 0 | 112 | G16 D17 S18 S24 Y130 W190 | G16-N20 WeakPolarHBondContact O-CB 3.49Å; G16-N20 PolarHBondContact O-N 3.16Å; D17-N20 PolarHBondContact O-N 2.93Å; S18-N20 VanDerWaalsContact C-N 3.32Å; S18-N20 PolarHBondContact O-N 3.31Å; N20-S24 WeakPolarHBondContact O-CB 3.39Å; N20-S24 PolarHBondContact O-N 2.92Å; N20-S24 PolarHBondContact O-OG 3.45Å; N20-Y130 HydrophobicContact CB-CE2 4.45Å; N20-W190 PolarHBondContact OD1-NE1 3.09Å |
| 21 | L | 77 | Confident | 72.3 | Confident | 29 Ų | 29 | 43.9 Ų | 43.9 | 15% | 0.152 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -66.1 | -46.5 | 176 | -177.6 | 60 | 0 | 0 | 0 | 112.2 | D17 S18 C19 G23 S24 F25 A37 V38 V41 | D17-L21 WeakPolarHBondContact O-CB 3.39Å; D17-L21 PolarHBondContact O-N 3.28Å; S18-L21 PolarHBondContact O-N 3.44Å; C19-L21 PolarHBondContact O-N 3.29Å; L21-G23 VanDerWaalsContact C-N 3.32Å; L21-G23 PolarHBondContact O-N 3.09Å; L21-S24 PolarHBondContact O-N 2.86Å; L21-S24 PolarHBondContact O-OG 3.47Å; L21-F25 HydrophobicContact CD1-CD2 3.63Å; L21-F25 HydrophobicContact CD1-CE2 3.39Å; L21-F25 HydrophobicContact CD1-CZ 4.44Å; L21-F25 HydrophobicContact CD2-CE2 4.41Å; L21-F25 HydrophobicContact CG-CD2 3.86Å; L21-F25 HydrophobicContact CG-CE2 3.86Å; L21-F25 VanDerWaalsContact O-CD2 3.3Å; L21-F25 WeakPolarHBondContact O-CD2 3.39Å; L21-F25 PolarHBondContact O-N 2.99Å; L21-A37 HydrophobicContact CB-CB 4.13Å; L21-A37 HydrophobicContact CD1-CB 3.74Å; L21-V38 HydrophobicContact CD1-CB 4.44Å; L21-V38 HydrophobicContact CD1-CG2 3.55Å; L21-V38 HydrophobicContact CD2-CG2 4.37Å; L21-V41 HydrophobicContact CB-CG2 4.14Å; L21-V41 HydrophobicContact CD2-CB 4.42Å; L21-V41 HydrophobicContact CD2-CG2 3.91Å |
| 22 | I | 75.7 | Confident | 72.1 | Confident | 88 Ų | 88 | 45.1 Ų | 45.1 | 45% | 0.451 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.8 | -42.1 | 178.1 | -68.2 | 165.3 | 0 | 0 | 0 | 110.1 | S18 C19 L26 I122 | S18-I22 WeakPolarHBondContact O-CB 3.33Å; S18-I22 WeakPolarHBondContact O-CD1 3.31Å; S18-I22 VanDerWaalsContact O-CG1 3.23Å; S18-I22 WeakPolarHBondContact O-CG1 3.4Å; S18-I22 PolarHBondContact O-N 2.96Å; C19-I22 PolarHBondContact O-N 3.04Å; I22-L26 HydrophobicContact CG2-CD1 3.54Å; I22-L26 HydrophobicContact CG2-CG 4.44Å; I22-L26 WeakPolarHBondContact O-CB 3.49Å; I22-L26 WeakPolarHBondContact O-CD1 3.33Å; I22-L26 VanDerWaalsContact O-CG 3.29Å; I22-L26 WeakPolarHBondContact O-CG 3.24Å; I22-L26 PolarHBondContact O-N 2.82Å; I22-I122 HydrophobicContact CG2-CD1 4.13Å |
| 23 | G | 69.4 | Low | 71.9 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64 | -40.8 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | C19 L21 A27 | C19-G23 PolarHBondContact O-N 3.42Å; L21-G23 VanDerWaalsContact C-N 3.32Å; L21-G23 PolarHBondContact O-N 3.09Å; G23-A27 VanDerWaalsContact O-CB 3.25Å; G23-A27 WeakPolarHBondContact O-CB 3.28Å; G23-A27 PolarHBondContact O-N 3.26Å; G23-A27 VanDerWaalsContact O-N 3.08Å |
| 24 | S | 73.8 | Confident | 71.8 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -71.1 | -37.8 | 179.2 | 64.2 | 0 | 0 | 0 | 0 | 112.6 | N20 L21 Q29 | N20-S24 WeakPolarHBondContact O-CB 3.39Å; N20-S24 PolarHBondContact O-N 2.92Å; N20-S24 PolarHBondContact O-OG 3.45Å; L21-S24 PolarHBondContact O-N 2.86Å; L21-S24 PolarHBondContact O-OG 3.47Å; S24-Q29 WeakPolarHBondContact O-CB 3.28Å; S24-Q29 PolarHBondContact O-N 3.37Å |
| 25 | F | 73.5 | Confident | 71.7 | Confident | 120 Ų | 120 | 47.6 Ų | 47.6 | 53% | 0.526 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -66.6 | -40.6 | 172.9 | -87.7 | -63.2 | 0 | 0 | 0 | 112.9 | L21 T34 V38 | L21-F25 HydrophobicContact CD1-CD2 3.63Å; L21-F25 HydrophobicContact CD1-CE2 3.39Å; L21-F25 HydrophobicContact CD1-CZ 4.44Å; L21-F25 HydrophobicContact CD2-CE2 4.41Å; L21-F25 HydrophobicContact CG-CD2 3.86Å; L21-F25 HydrophobicContact CG-CE2 3.86Å; L21-F25 VanDerWaalsContact O-CD2 3.3Å; L21-F25 WeakPolarHBondContact O-CD2 3.39Å; L21-F25 PolarHBondContact O-N 2.99Å; F25-T34 HydrophobicContact CD1-CG2 3.91Å; F25-T34 HydrophobicContact CD2-CG2 4.27Å; F25-T34 HydrophobicContact CE1-CG2 3.5Å; F25-T34 HydrophobicContact CE2-CG2 3.92Å; F25-T34 HydrophobicContact CG-CG2 4.27Å; F25-T34 HydrophobicContact CZ-CG2 3.5Å; F25-V38 HydrophobicContact CE2-CG2 4.4Å |
| 26 | L | 64.8 | Low | 71.6 | Confident | 59 Ų | 59 | 48.6 Ų | 48.6 | 31% | 0.309 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -75.1 | -24.5 | -178.4 | -77 | 165.3 | 0 | 0 | 0 | 113.8 | I22 Q115 I118 I122 | I22-L26 HydrophobicContact CG2-CD1 3.54Å; I22-L26 HydrophobicContact CG2-CG 4.44Å; I22-L26 WeakPolarHBondContact O-CB 3.49Å; I22-L26 WeakPolarHBondContact O-CD1 3.33Å; I22-L26 VanDerWaalsContact O-CG 3.29Å; I22-L26 WeakPolarHBondContact O-CG 3.24Å; I22-L26 PolarHBondContact O-N 2.82Å; L26-Q115 CarbonylContact O-C 3.51Å; L26-I118 HydrophobicContact CD1-CG2 4.22Å; L26-I122 HydrophobicContact CD1-CD1 4Å |
| 27 | A | 64.1 | Low | 71.3 | Confident | 4 Ų | 4 | 48.6 Ų | 48.6 | 3% | 0.033 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 14.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | G23 Q29 W190 | G23-A27 VanDerWaalsContact O-CB 3.25Å; G23-A27 WeakPolarHBondContact O-CB 3.28Å; G23-A27 PolarHBondContact O-N 3.26Å; G23-A27 VanDerWaalsContact O-N 3.08Å; A27-Q29 HydrophobicContact CB-CG 3.94Å; A27-Q29 PolarHBondContact O-N 2.9Å; A27-Q29 VanDerWaalsContact O-N 3.07Å; A27-W190 HydrophobicContact CB-CH2 3.64Å; A27-W190 HydrophobicContact CB-CZ2 4.48Å; A27-W190 HydrophobicContact CB-CZ3 4.36Å |
| 28 | D | 65.1 | Low | 71.1 | Confident | 139 Ų | 139 | 51 Ų | 51 | 74% | 0.743 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 41.8 | 46.8 | -178.1 | -78.7 | -40.8 | 0 | 0 | 0 | 112.8 | ||
| 29 | Q | 64.6 | Low | 71 | Confident | 12 Ų | 12 | 56.2 Ų | 56.2 | 6% | 0.056 | 28% | 0.283 | C | S | . | . | trans | -70.8 | 166 | -175.2 | -78.1 | -73.9 | -33.4 | 0 | 0 | 112.3 | S24 A27 H186 H187 W190 | S24-Q29 WeakPolarHBondContact O-CB 3.28Å; S24-Q29 PolarHBondContact O-N 3.37Å; A27-Q29 HydrophobicContact CB-CG 3.94Å; A27-Q29 PolarHBondContact O-N 2.9Å; A27-Q29 VanDerWaalsContact O-N 3.07Å; Q29-H186 PolarHBondContact NE2-O 3.48Å; Q29-H187 VanDerWaalsContact CD-CE1 3.47Å; Q29-H187 PolarHBondContact NE2-CE1 3.35Å; Q29-H187 PolarHBondContact NE2-ND1 3.35Å; Q29-H187 PolarHBondContact OE1-CE1 3.01Å; Q29-H187 PolarHBondContact OE1-ND1 3.31Å; Q29-W190 HydrophobicContact CG-CE3 4.47Å; Q29-W190 HydrophobicContact CG-CH2 4.02Å; Q29-W190 HydrophobicContact CG-CZ2 4.3Å; Q29-W190 HydrophobicContact CG-CZ3 4.11Å; Q29-W190 VanDerWaalsContact NE2-CZ3 3.35Å | ||
| 30 | L | 67.6 | Low | 71.1 | Confident | 30 Ų | 30 | 58 Ų | 58 | 16% | 0.157 | 28% | 0.284 | C | S | . | . | trans | -50.7 | 140.5 | -178.7 | -75.3 | 104.3 | 0 | 0 | 0 | 112.1 | L32 Q33 T34 K172 H187 | L30-L32 PolarHBondContact O-N 3.12Å; L30-L32 VanDerWaalsContact O-N 3.08Å; L30-Q33 WeakPolarHBondContact O-CB 3.27Å; L30-Q33 PolarHBondContact O-N 3.25Å; L30-T34 PolarHBondContact O-N 3.1Å; L30-K172 HydrophobicContact CD2-CD 3.43Å; L30-K172 VanDerWaalsContact CD2-CD 3.43Å; L30-K172 HydrophobicContact CG-CD 4.35Å; L30-H187 VanDerWaalsContact CD1-CE1 3.43Å; L30-H187 WeakPolarHBondContact CD1-CE1 3.33Å | ||
| 31 | P | 66.7 | Low | 71.1 | Confident | 84 Ų | 84 | 58.1 Ų | 58.1 | 55% | 0.545 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -52.4 | -38.9 | 179.9 | -28.7 | 34.2 | 0 | 0 | 0 | 113.8 | Q33 T34 Y35 | P31-Q33 VanDerWaalsContact C-N 3.29Å; P31-Q33 PolarHBondContact O-N 3.33Å; P31-T34 PolarHBondContact O-N 3.03Å; P31-Y35 HydrophobicContact CB-CD2 4.37Å; P31-Y35 HydrophobicContact CB-CE2 3.92Å; P31-Y35 WeakPolarHBondContact O-CD2 3.39Å; P31-Y35 VanDerWaalsContact O-CG 3.27Å; P31-Y35 PolarHBondContact O-N 3Å |
| 32 | L | 66.8 | Low | 71 | Confident | 101 Ų | 101 | 61 Ų | 61 | 53% | 0.529 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.8 | -37.1 | 178.1 | -175.1 | 133.2 | 0 | 0 | 0 | 112.7 | L30 T36 | L30-L32 PolarHBondContact O-N 3.12Å; L30-L32 VanDerWaalsContact O-N 3.08Å; L32-T36 WeakPolarHBondContact O-CB 3.25Å; L32-T36 PolarHBondContact O-N 3.34Å; L32-T36 PolarHBondContact O-OG1 3.3Å |
| 33 | Q | 65.9 | Low | 71.1 | Confident | 10 Ų | 10 | 58.5 Ų | 58.5 | 5% | 0.047 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -72 | -42.6 | 178.9 | -179.5 | 173.1 | -25.6 | 0 | 0 | 111.3 | L30 P31 T36 A37 Y165 W190 | L30-Q33 WeakPolarHBondContact O-CB 3.27Å; L30-Q33 PolarHBondContact O-N 3.25Å; P31-Q33 VanDerWaalsContact C-N 3.29Å; P31-Q33 PolarHBondContact O-N 3.33Å; Q33-T36 PolarHBondContact O-N 3.04Å; Q33-A37 WeakPolarHBondContact O-CB 3.38Å; Q33-A37 PolarHBondContact O-N 3.37Å; Q33-Y165 HydrophobicContact CB-CE2 4.24Å; Q33-Y165 VanDerWaalsContact CD-OH 3.32Å; Q33-Y165 HydrophobicContact CG-CE2 4.19Å; Q33-Y165 PolarHBondContact OE1-OH 2.87Å; Q33-W190 VanDerWaalsContact NE2-CD2 3.26Å |
| 34 | T | 72.6 | Confident | 71.5 | Confident | 19 Ų | 19 | 58.7 Ų | 58.7 | 12% | 0.117 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.3 | -45.9 | 175.8 | -52.4 | 0 | 0 | 0 | 0 | 110.8 | F25 L30 P31 T36 A37 V38 | F25-T34 HydrophobicContact CD1-CG2 3.91Å; F25-T34 HydrophobicContact CD2-CG2 4.27Å; F25-T34 HydrophobicContact CE1-CG2 3.5Å; F25-T34 HydrophobicContact CE2-CG2 3.92Å; F25-T34 HydrophobicContact CG-CG2 4.27Å; F25-T34 HydrophobicContact CZ-CG2 3.5Å; L30-T34 PolarHBondContact O-N 3.1Å; P31-T34 PolarHBondContact O-N 3.03Å; T34-T36 VanDerWaalsContact C-N 3.33Å; T34-T36 PolarHBondContact O-N 3.45Å; T34-A37 PolarHBondContact O-N 3.26Å; T34-V38 WeakPolarHBondContact O-CG2 3.31Å; T34-V38 PolarHBondContact O-N 3.32Å |
| 35 | Y | 74 | Confident | 71.7 | Confident | 170 Ų | 170 | 62.4 Ų | 62.4 | 67% | 0.667 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -60.9 | -41.1 | 175.8 | -66.7 | -45.5 | 0 | 0 | 0 | 112.9 | P31 V38 Y39 | P31-Y35 HydrophobicContact CB-CD2 4.37Å; P31-Y35 HydrophobicContact CB-CE2 3.92Å; P31-Y35 WeakPolarHBondContact O-CD2 3.39Å; P31-Y35 VanDerWaalsContact O-CG 3.27Å; P31-Y35 PolarHBondContact O-N 3Å; Y35-V38 PolarHBondContact O-N 3.2Å; Y35-Y39 PolarHBondContact O-N 3.02Å |
| 36 | T | 72.5 | Confident | 72 | Confident | 50 Ų | 50 | 59.9 Ų | 59.9 | 31% | 0.307 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -66 | -41.4 | 177.8 | -55.8 | 0 | 0 | 0 | 0 | 111.4 | L32 Q33 T34 Y39 Y40 | L32-T36 WeakPolarHBondContact O-CB 3.25Å; L32-T36 PolarHBondContact O-N 3.34Å; L32-T36 PolarHBondContact O-OG1 3.3Å; Q33-T36 PolarHBondContact O-N 3.04Å; T34-T36 VanDerWaalsContact C-N 3.33Å; T34-T36 PolarHBondContact O-N 3.45Å; T36-Y39 WeakPolarHBondContact O-CB 3.34Å; T36-Y39 PolarHBondContact O-N 2.72Å; T36-Y40 HydrophobicContact CG2-CD2 4Å; T36-Y40 HydrophobicContact CG2-CE2 3.44Å; T36-Y40 VanDerWaalsContact CG2-CE2 3.44Å; T36-Y40 WeakPolarHBondContact O-CD2 3.34Å; T36-Y40 PolarHBondContact O-N 3.27Å |
| 37 | A | 71.4 | Confident | 72.4 | Confident | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.008 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.7 | -40.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L21 Q33 T34 Y39 Y40 V41 | L21-A37 HydrophobicContact CB-CB 4.13Å; L21-A37 HydrophobicContact CD1-CB 3.74Å; Q33-A37 WeakPolarHBondContact O-CB 3.38Å; Q33-A37 PolarHBondContact O-N 3.37Å; T34-A37 PolarHBondContact O-N 3.26Å; A37-Y39 VanDerWaalsContact C-N 3.34Å; A37-Y39 PolarHBondContact O-N 2.92Å; A37-Y40 PolarHBondContact O-N 3.29Å; A37-V41 WeakPolarHBondContact O-CG2 3.48Å; A37-V41 PolarHBondContact O-N 3.24Å; A37-V41 VanDerWaalsContact O-N 3.14Å |
| 38 | V | 75.2 | Confident | 72.9 | Confident | 52 Ų | 52 | 61.2 Ų | 61.2 | 32% | 0.315 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.3 | -45.9 | 173.3 | 172.5 | 0 | 0 | 0 | 0 | 110.6 | L21 F25 T34 Y35 Y40 V41 L42 | L21-V38 HydrophobicContact CD1-CB 4.44Å; L21-V38 HydrophobicContact CD1-CG2 3.55Å; L21-V38 HydrophobicContact CD2-CG2 4.37Å; F25-V38 HydrophobicContact CE2-CG2 4.4Å; T34-V38 WeakPolarHBondContact O-CG2 3.31Å; T34-V38 PolarHBondContact O-N 3.32Å; Y35-V38 PolarHBondContact O-N 3.2Å; V38-Y40 VanDerWaalsContact C-N 3.33Å; V38-Y40 PolarHBondContact O-N 3.36Å; V38-V41 PolarHBondContact O-N 3.23Å; V38-L42 HydrophobicContact CG1-CD1 4.03Å; V38-L42 HydrophobicContact CG1-CG 4.46Å; V38-L42 WeakPolarHBondContact O-CG 3.41Å; V38-L42 PolarHBondContact O-N 3.46Å; V38-L42 VanDerWaalsContact O-N 3.07Å |
| 39 | Y | 76.8 | Confident | 73.5 | Confident | 152 Ų | 152 | 59 Ų | 59 | 60% | 0.596 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -57.7 | -44.6 | 177.9 | 169.2 | -95.7 | 0 | 0 | 0 | 112.1 | Y35 T36 A37 L42 A43 | Y35-Y39 PolarHBondContact O-N 3.02Å; T36-Y39 WeakPolarHBondContact O-CB 3.34Å; T36-Y39 PolarHBondContact O-N 2.72Å; A37-Y39 VanDerWaalsContact C-N 3.34Å; A37-Y39 PolarHBondContact O-N 2.92Å; Y39-L42 PolarHBondContact O-N 2.9Å; Y39-A43 WeakPolarHBondContact O-CB 3.43Å; Y39-A43 PolarHBondContact O-N 3.49Å |
| 40 | Y | 78.6 | Confident | 73.9 | Confident | 78 Ų | 78 | 61.7 Ų | 61.7 | 31% | 0.306 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64 | -45.6 | 179.8 | -70.1 | -36.8 | 0 | 0 | 0 | 112.8 | D17 T36 A37 V38 L42 A43 D44 | D17-Y40 WeakPolarHBondContact OD2-CB 3.24Å; T36-Y40 HydrophobicContact CG2-CD2 4Å; T36-Y40 HydrophobicContact CG2-CE2 3.44Å; T36-Y40 VanDerWaalsContact CG2-CE2 3.44Å; T36-Y40 WeakPolarHBondContact O-CD2 3.34Å; T36-Y40 PolarHBondContact O-N 3.27Å; A37-Y40 PolarHBondContact O-N 3.29Å; V38-Y40 VanDerWaalsContact C-N 3.33Å; V38-Y40 PolarHBondContact O-N 3.36Å; Y40-L42 VanDerWaalsContact C-N 3.3Å; Y40-L42 PolarHBondContact O-N 2.97Å; Y40-A43 PolarHBondContact O-N 2.91Å; Y40-A43 VanDerWaalsContact O-N 3.14Å; Y40-D44 PolarHBondContact O-N 3.47Å |
| 41 | V | 77.4 | Confident | 74.1 | Confident | 22 Ų | 22 | 63.3 Ų | 63.3 | 13% | 0.133 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -58.3 | -41.9 | 174.8 | 173 | 0 | 0 | 0 | 0 | 111.8 | D17 L21 A37 V38 D44 L45 | D17-V41 HydrophobicContact CB-CG2 3.82Å; D17-V41 WeakPolarHBondContact O-CG2 3.3Å; L21-V41 HydrophobicContact CB-CG2 4.14Å; L21-V41 HydrophobicContact CD2-CB 4.42Å; L21-V41 HydrophobicContact CD2-CG2 3.91Å; A37-V41 WeakPolarHBondContact O-CG2 3.48Å; A37-V41 PolarHBondContact O-N 3.24Å; A37-V41 VanDerWaalsContact O-N 3.14Å; V38-V41 PolarHBondContact O-N 3.23Å; V41-D44 PolarHBondContact O-N 3.49Å; V41-L45 HydrophobicContact CG1-CD1 4.29Å; V41-L45 WeakPolarHBondContact O-CG 3.28Å; V41-L45 PolarHBondContact O-N 3.43Å |
| 42 | L | 75.6 | Confident | 74.4 | Confident | 90 Ų | 90 | 63.2 Ų | 63.2 | 47% | 0.471 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -66.1 | -42.5 | 177.1 | -69.7 | 175.2 | 0 | 0 | 0 | 112.2 | V38 Y39 Y40 D44 L45 V46 | V38-L42 HydrophobicContact CG1-CD1 4.03Å; V38-L42 HydrophobicContact CG1-CG 4.46Å; V38-L42 WeakPolarHBondContact O-CG 3.41Å; V38-L42 PolarHBondContact O-N 3.46Å; V38-L42 VanDerWaalsContact O-N 3.07Å; Y39-L42 PolarHBondContact O-N 2.9Å; Y40-L42 VanDerWaalsContact C-N 3.3Å; Y40-L42 PolarHBondContact O-N 2.97Å; L42-D44 VanDerWaalsContact C-N 3.3Å; L42-D44 PolarHBondContact O-N 3.35Å; L42-L45 PolarHBondContact O-N 2.95Å; L42-V46 WeakPolarHBondContact O-CG2 3.37Å; L42-V46 PolarHBondContact O-N 2.85Å |
| 43 | A | 75.8 | Confident | 74.7 | Confident | 35 Ų | 35 | 61.6 Ų | 61.6 | 29% | 0.289 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61 | -41.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y39 Y40 V46 M47 | Y39-A43 WeakPolarHBondContact O-CB 3.43Å; Y39-A43 PolarHBondContact O-N 3.49Å; Y40-A43 PolarHBondContact O-N 2.91Å; Y40-A43 VanDerWaalsContact O-N 3.14Å; A43-V46 PolarHBondContact O-N 3.38Å; A43-M47 WeakPolarHBondContact O-CB 3.45Å; A43-M47 PolarHBondContact O-N 3.42Å |
| 44 | D | 78.7 | Confident | 74.8 | Confident | 4 Ų | 4 | 68.1 Ų | 68.1 | 2% | 0.021 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -66 | -41 | 176.6 | -87.3 | 7.1 | 0 | 0 | 0 | 112.7 | I14 D17 Y40 V41 L42 V46 M47 L48 | I14-D44 WeakPolarHBondContact CA-OD2 3.34Å; I14-D44 HydrophobicContact CB-CB 4.14Å; I14-D44 HydrophobicContact CD1-CB 4.31Å; I14-D44 HydrophobicContact CG1-CB 4.23Å; I14-D44 PolarHBondContact N-OD2 3.02Å; D17-D44 VanDerWaalsContact OD2-CG 3.27Å; Y40-D44 PolarHBondContact O-N 3.47Å; V41-D44 PolarHBondContact O-N 3.49Å; L42-D44 VanDerWaalsContact C-N 3.3Å; L42-D44 PolarHBondContact O-N 3.35Å; D44-V46 VanDerWaalsContact C-N 3.35Å; D44-V46 PolarHBondContact O-N 2.86Å; D44-M47 PolarHBondContact O-N 3.49Å; D44-L48 VanDerWaalsContact O-CB 3.27Å; D44-L48 WeakPolarHBondContact O-CB 3.23Å; D44-L48 PolarHBondContact O-N 2.97Å |
| 45 | L | 78.4 | Confident | 74.6 | Confident | 79 Ų | 79 | 72.4 Ų | 72.4 | 41% | 0.414 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.3 | -41.3 | 174 | -73.5 | 172.4 | 0 | 0 | 0 | 112.1 | I14 V41 L42 T49 | I14-L45 HydrophobicContact CD1-CD2 3.71Å; I14-L45 HydrophobicContact CD1-CG 4.15Å; V41-L45 HydrophobicContact CG1-CD1 4.29Å; V41-L45 WeakPolarHBondContact O-CG 3.28Å; V41-L45 PolarHBondContact O-N 3.43Å; L42-L45 PolarHBondContact O-N 2.95Å; L45-T49 VanDerWaalsContact O-CB 3.32Å; L45-T49 WeakPolarHBondContact O-CB 3.5Å; L45-T49 PolarHBondContact O-N 3.07Å; L45-T49 PolarHBondContact O-OG1 3.31Å |
| 46 | V | 79.5 | Confident | 74.4 | Confident | 66 Ų | 66 | 72 Ų | 72 | 40% | 0.4 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.2 | -46.4 | 174.4 | 170.6 | 0 | 0 | 0 | 0 | 110.2 | L42 A43 D44 L48 T49 L50 L72 | L42-V46 WeakPolarHBondContact O-CG2 3.37Å; L42-V46 PolarHBondContact O-N 2.85Å; A43-V46 PolarHBondContact O-N 3.38Å; D44-V46 VanDerWaalsContact C-N 3.35Å; D44-V46 PolarHBondContact O-N 2.86Å; V46-L48 VanDerWaalsContact C-N 3.35Å; V46-L48 PolarHBondContact O-N 2.95Å; V46-T49 PolarHBondContact O-N 3.32Å; V46-L50 HydrophobicContact CG1-CD1 3.95Å; V46-L50 HydrophobicContact CG1-CG 4.41Å; V46-L50 WeakPolarHBondContact O-CB 3.48Å; V46-L50 WeakPolarHBondContact O-CG 3.31Å; V46-L50 PolarHBondContact O-N 3.45Å; V46-L72 HydrophobicContact CG1-CD1 4.14Å |
| 47 | M | 74.1 | Confident | 73.8 | Confident | 62 Ų | 62 | 76.3 Ų | 76.3 | 31% | 0.305 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.8 | -41.3 | 179.9 | -163.9 | -178.2 | -22.8 | 0 | 0 | 112 | L5 L10 A43 D44 L50 Y51 | L5-M47 HydrophobicContact CD2-SD 4Å; L10-M47 HydrophobicContact CD1-CB 4.2Å; L10-M47 HydrophobicContact CD1-CE 4.2Å; L10-M47 HydrophobicContact CD1-CG 3.9Å; L10-M47 HydrophobicContact CD1-SD 3.5Å; L10-M47 VanDerWaalsContact CD1-SD 3.5Å; A43-M47 WeakPolarHBondContact O-CB 3.45Å; A43-M47 PolarHBondContact O-N 3.42Å; D44-M47 PolarHBondContact O-N 3.49Å; M47-L50 PolarHBondContact O-N 3.45Å; M47-Y51 WeakPolarHBondContact O-CB 3.2Å; M47-Y51 PolarHBondContact O-N 2.93Å |
| 48 | L | 74.4 | Confident | 72.9 | Confident | 30 Ų | 30 | 82.1 Ų | 82.1 | 16% | 0.157 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -65.6 | -42 | 175.4 | -170.2 | 69.1 | 0 | 0 | 0 | 111.7 | L10 I14 D44 V46 Y51 F52 | L10-L48 HydrophobicContact CD2-CB 4.32Å; L10-L48 HydrophobicContact CD2-CD1 3.65Å; L10-L48 HydrophobicContact CG-CD1 4.18Å; I14-L48 HydrophobicContact CD1-CD2 4.39Å; D44-L48 VanDerWaalsContact O-CB 3.27Å; D44-L48 WeakPolarHBondContact O-CB 3.23Å; D44-L48 PolarHBondContact O-N 2.97Å; V46-L48 VanDerWaalsContact C-N 3.35Å; V46-L48 PolarHBondContact O-N 2.95Å; L48-Y51 PolarHBondContact O-N 3.48Å; L48-F52 HydrophobicContact CD1-CD2 4.07Å; L48-F52 HydrophobicContact CD1-CE2 3.53Å; L48-F52 HydrophobicContact CD1-CZ 4.32Å; L48-F52 HydrophobicContact CD2-CE2 4.13Å; L48-F52 HydrophobicContact CG-CD2 3.83Å; L48-F52 HydrophobicContact CG-CE2 3.6Å; L48-F52 VanDerWaalsContact O-CD2 3.24Å; L48-F52 WeakPolarHBondContact O-CD2 3.46Å; L48-F52 PolarHBondContact O-N 2.92Å |
| 49 | T | 76.3 | Confident | 71.6 | Confident | 93 Ų | 93 | 90 Ų | 90 | 57% | 0.571 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -62.7 | -45 | 175.8 | -58.3 | 0 | 0 | 0 | 0 | 110.9 | L45 V46 F52 Y53 | L45-T49 VanDerWaalsContact O-CB 3.32Å; L45-T49 WeakPolarHBondContact O-CB 3.5Å; L45-T49 PolarHBondContact O-N 3.07Å; L45-T49 PolarHBondContact O-OG1 3.31Å; V46-T49 PolarHBondContact O-N 3.32Å; T49-F52 PolarHBondContact O-N 3.14Å; T49-Y53 WeakPolarHBondContact O-CB 3.41Å; T49-Y53 PolarHBondContact O-N 3.14Å |
| 50 | L | 73.3 | Confident | 70.3 | Confident | 68 Ų | 68 | 89 Ų | 89 | 36% | 0.356 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -62.3 | -44.8 | 174.9 | -71.9 | 170.5 | 0 | 0 | 0 | 111.1 | V46 M47 F52 Y53 Y54 | V46-L50 HydrophobicContact CG1-CD1 3.95Å; V46-L50 HydrophobicContact CG1-CG 4.41Å; V46-L50 WeakPolarHBondContact O-CB 3.48Å; V46-L50 WeakPolarHBondContact O-CG 3.31Å; V46-L50 PolarHBondContact O-N 3.45Å; M47-L50 PolarHBondContact O-N 3.45Å; L50-F52 PolarHBondContact O-N 2.67Å; L50-Y53 PolarHBondContact O-N 2.96Å; L50-Y54 HydrophobicContact CD2-CE2 4.28Å; L50-Y54 WeakPolarHBondContact O-CD2 3.15Å; L50-Y54 PolarHBondContact O-N 3.19Å |
| 51 | Y | 71.3 | Confident | 68.9 | Low | 64 Ų | 64 | 88 Ų | 88 | 25% | 0.251 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -57.2 | -51.5 | 177.2 | 175.7 | -92.4 | 0 | 0 | 0 | 111.6 | L7 L10 M47 L48 Y54 K55 | L7-Y51 HydrophobicContact CD1-CD1 4.15Å; L7-Y51 HydrophobicContact CD1-CE1 3.68Å; L10-Y51 HydrophobicContact CD2-CG 4.38Å; M47-Y51 WeakPolarHBondContact O-CB 3.2Å; M47-Y51 PolarHBondContact O-N 2.93Å; L48-Y51 PolarHBondContact O-N 3.48Å; Y51-Y54 PolarHBondContact O-N 3.03Å; Y51-K55 HydrophobicContact CD1-CD 4.47Å; Y51-K55 HydrophobicContact CE1-CD 3.56Å; Y51-K55 WeakPolarHBondContact O-CB 3.32Å; Y51-K55 PolarHBondContact O-N 3.35Å; Y51-K55 PolarHBondContact OH-NZ 2.82Å |
| 52 | F | 74.9 | Confident | 67.8 | Low | 81 Ų | 81 | 95.2 Ų | 95.2 | 36% | 0.355 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -65.8 | -39.8 | 178.2 | -76.6 | -58.2 | 0 | 0 | 0 | 112.1 | L48 T49 L50 Y54 K55 F56 | L48-F52 HydrophobicContact CD1-CD2 4.07Å; L48-F52 HydrophobicContact CD1-CE2 3.53Å; L48-F52 HydrophobicContact CD1-CZ 4.32Å; L48-F52 HydrophobicContact CD2-CE2 4.13Å; L48-F52 HydrophobicContact CG-CD2 3.83Å; L48-F52 HydrophobicContact CG-CE2 3.6Å; L48-F52 VanDerWaalsContact O-CD2 3.24Å; L48-F52 WeakPolarHBondContact O-CD2 3.46Å; L48-F52 PolarHBondContact O-N 2.92Å; T49-F52 PolarHBondContact O-N 3.14Å; L50-F52 PolarHBondContact O-N 2.67Å; F52-Y54 PolarHBondContact O-N 2.93Å; F52-K55 PolarHBondContact O-N 3.29Å; F52-F56 HydrophobicContact CB-CD2 4.14Å; F52-F56 HydrophobicContact CB-CE2 4.42Å; F52-F56 HydrophobicContact CD1-CD2 4.05Å; F52-F56 AromaticContact CD1-CE2 3.57Å; F52-F56 HydrophobicContact CD1-CE2 3.57Å; F52-F56 HydrophobicContact CE1-CE2 4.24Å; F52-F56 HydrophobicContact CG-CE2 4.37Å; F52-F56 WeakPolarHBondContact O-CB 3.32Å; F52-F56 VanDerWaalsContact O-CD2 3.26Å; F52-F56 WeakPolarHBondContact O-CD2 3.48Å; F52-F56 PolarHBondContact O-N 2.94Å |
| 53 | Y | 71.3 | Confident | 66.7 | Low | 68 Ų | 68 | 97.5 Ų | 97.5 | 27% | 0.267 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -57.8 | -48.8 | 176.2 | 176.8 | -93.7 | 0 | 0 | 0 | 111.9 | T49 L50 R57 | T49-Y53 WeakPolarHBondContact O-CB 3.41Å; T49-Y53 PolarHBondContact O-N 3.14Å; L50-Y53 PolarHBondContact O-N 2.96Å; Y53-R57 WeakPolarHBondContact O-CA 3.44Å; Y53-R57 WeakPolarHBondContact O-CB 3.32Å; Y53-R57 PolarHBondContact O-N 3.27Å; Y53-R57 PolarHBondContact OH-NH1 3.05Å |
| 54 | Y | 69.1 | Low | 65.6 | Low | 147 Ų | 147 | 97.3 Ų | 97.3 | 58% | 0.576 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -72.1 | -31.9 | 178 | -79.7 | -76.5 | 0 | 0 | 0 | 113 | L50 Y51 F52 | L50-Y54 HydrophobicContact CD2-CE2 4.28Å; L50-Y54 WeakPolarHBondContact O-CD2 3.15Å; L50-Y54 PolarHBondContact O-N 3.19Å; Y51-Y54 PolarHBondContact O-N 3.03Å; F52-Y54 PolarHBondContact O-N 2.93Å |
| 55 | K | 68.8 | Low | 64.4 | Low | 108 Ų | 108 | 100.3 Ų | 100.3 | 47% | 0.47 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -71.3 | -38.5 | 177.5 | -173.8 | 171.3 | -173.9 | 173.5 | 0 | 112.8 | Y51 F52 | Y51-K55 HydrophobicContact CD1-CD 4.47Å; Y51-K55 HydrophobicContact CE1-CD 3.56Å; Y51-K55 WeakPolarHBondContact O-CB 3.32Å; Y51-K55 PolarHBondContact O-N 3.35Å; Y51-K55 PolarHBondContact OH-NZ 2.82Å; F52-K55 PolarHBondContact O-N 3.29Å |
| 56 | F | 68.3 | Low | 63.2 | Low | 163 Ų | 163 | 100 Ų | 100 | 72% | 0.715 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -89.7 | -25.2 | -179.8 | -76.4 | -72.6 | 0 | 0 | 0 | 113.3 | F52 T58 | F52-F56 HydrophobicContact CB-CD2 4.14Å; F52-F56 HydrophobicContact CB-CE2 4.42Å; F52-F56 HydrophobicContact CD1-CD2 4.05Å; F52-F56 AromaticContact CD1-CE2 3.57Å; F52-F56 HydrophobicContact CD1-CE2 3.57Å; F52-F56 HydrophobicContact CE1-CE2 4.24Å; F52-F56 HydrophobicContact CG-CE2 4.37Å; F52-F56 WeakPolarHBondContact O-CB 3.32Å; F52-F56 VanDerWaalsContact O-CD2 3.26Å; F52-F56 WeakPolarHBondContact O-CD2 3.48Å; F52-F56 PolarHBondContact O-N 2.94Å; F56-T58 PolarHBondContact O-N 3.42Å |
| 57 | R | 60.5 | Low | 62.1 | Low | 139 Ų | 139 | 102.1 Ų | 102.1 | 53% | 0.525 | 52% | 0.515 | S | S | . | . | trans | -100.8 | 65.7 | -178.1 | -149.3 | 177.1 | -166.4 | 174.9 | 7.1 | 111.8 | Y53 R59 | Y53-R57 WeakPolarHBondContact O-CA 3.44Å; Y53-R57 WeakPolarHBondContact O-CB 3.32Å; Y53-R57 PolarHBondContact O-N 3.27Å; Y53-R57 PolarHBondContact OH-NH1 3.05Å; R57-R59 PolarHBondContact O-N 2.44Å | ||
| 58 | T | 53.8 | Low | 61.4 | Low | 124 Ų | 124 | 101.9 Ų | 101.9 | 76% | 0.761 | 52% | 0.515 | S | S | * | . | trans | -75.3 | 59.7 | 169.5 | -29.1 | 0 | 0 | 0 | 0 | 111.7 | F56 | F56-T58 PolarHBondContact O-N 3.42Š| ||
| 59 | R | 47.1 | Very low | 60.6 | Low | 216 Ų | 216 | 104.2 Ų | 104.2 | 82% | 0.815 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -147.7 | 116.8 | 162.8 | -70.2 | -73.6 | 179 | 144.8 | -2.7 | 107.2 | R57 S61 | R57-R59 PolarHBondContact O-N 2.44Å; R59-S61 PolarHBondContact O-N 3.47Å |
| 60 | P | 49.7 | Very low | 59.8 | Low | 131 Ų | 131 | 103.8 Ų | 103.8 | 85% | 0.851 | 53% | 0.531 | S | S | * | . | trans | -78.5 | 118.6 | -175.5 | 31.6 | -30.3 | 0 | 0 | 0 | 109.3 | ||||
| 61 | S | 49.5 | Very low | 59.2 | Low | 59 Ų | 59 | 105.4 Ų | 105.4 | 41% | 0.413 | 54% | 0.539 | S | S | . | . | trans | -103.8 | 109.9 | 160.4 | 51.9 | 0 | 0 | 0 | 0 | 109.2 | R59 L63 S64 | R59-S61 PolarHBondContact O-N 3.47Å; S61-L63 PolarHBondContact O-N 2.9Å; S61-S64 PolarHBondContact O-N 3.39Å; S61-S64 PolarHBondContact OG-OG 3.18Å | ||
| 62 | L | 53.4 | Low | 58.7 | Low | 173 Ų | 173 | 107.5 Ų | 107.5 | 91% | 0.906 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.9 | -19.1 | -179.9 | -111.7 | 121.5 | 0 | 0 | 0 | 114 | ||
| 63 | L | 53 | Low | 58 | Low | 138 Ų | 138 | 110.6 Ų | 110.6 | 72% | 0.723 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | -9.4 | 179 | -85.9 | 144.5 | 0 | 0 | 0 | 114.6 | S61 P66 I67 | S61-L63 PolarHBondContact O-N 2.9Å; L63-P66 WeakPolarHBondContact O-CD 3.34Å; L63-I67 WeakPolarHBondContact O-CD1 3.44Å |
| 64 | S | 52.3 | Low | 57.4 | Low | 31 Ų | 31 | 112.4 Ų | 112.4 | 22% | 0.217 | 58% | 0.582 | C | S | . | * | H | α-helix | trans | -86.2 | -18.4 | -176.4 | -58.5 | 0 | 0 | 0 | 0 | 114.4 | S61 N68 | S61-S64 PolarHBondContact O-N 3.39Å; S61-S64 PolarHBondContact OG-OG 3.18Å; S64-N68 PolarHBondContact O-N 2.67Å |
| 65 | A | 54.2 | Low | 56.8 | Low | 67 Ų | 67 | 111 Ų | 111 | 55% | 0.554 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -65.3 | -45.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114 | S69 | A65-S69 PolarHBondContact O-N 3.41Å |
| 66 | P | 51.8 | Low | 56.2 | Low | 72 Ų | 72 | 108.2 Ų | 108.2 | 47% | 0.468 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -74.2 | -33.4 | 179.9 | 27.8 | -33.9 | 0 | 0 | 0 | 112.6 | L63 S69 V70 | L63-P66 WeakPolarHBondContact O-CD 3.34Å; P66-S69 PolarHBondContact O-N 3.24Å; P66-V70 VanDerWaalsContact O-CG2 3.28Å; P66-V70 WeakPolarHBondContact O-CG2 3.39Å; P66-V70 PolarHBondContact O-N 3.1Å |
| 67 | I | 57.6 | Low | 55.6 | Low | 111 Ų | 111 | 105.7 Ų | 105.7 | 57% | 0.569 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -68.1 | -40.5 | -178.1 | -62 | 172.2 | 0 | 0 | 0 | 111 | L63 L71 | L63-I67 WeakPolarHBondContact O-CD1 3.44Å; I67-L71 WeakPolarHBondContact O-CB 3.33Å; I67-L71 PolarHBondContact O-N 3.5Å |
| 68 | N | 58.1 | Low | 55.2 | Low | 57 Ų | 57 | 101.3 Ų | 101.3 | 31% | 0.305 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -72.3 | -32.8 | 178.1 | -74.6 | -4.4 | 0 | 0 | 0 | 112.8 | S64 L72 | S64-N68 PolarHBondContact O-N 2.67Å; N68-L72 VanDerWaalsContact O-CB 3.28Å; N68-L72 WeakPolarHBondContact O-CB 3.49Å; N68-L72 PolarHBondContact O-N 3.05Å |
| 69 | S | 59 | Low | 55.2 | Low | 78 Ų | 78 | 99.9 Ų | 99.9 | 55% | 0.545 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -70.6 | -38.9 | 175.9 | -178.6 | 0 | 0 | 0 | 0 | 111.9 | A65 P66 L72 F73 | A65-S69 PolarHBondContact O-N 3.41Å; P66-S69 PolarHBondContact O-N 3.24Å; S69-L72 PolarHBondContact O-N 3.39Å; S69-F73 VanDerWaalsContact O-CB 3.31Å; S69-F73 WeakPolarHBondContact O-CB 3.2Å; S69-F73 PolarHBondContact O-N 3.38Å |
| 70 | V | 58.8 | Low | 55.2 | Low | 84 Ų | 84 | 91.8 Ų | 91.8 | 51% | 0.509 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -69.1 | -38.4 | 174.8 | 172.8 | 0 | 0 | 0 | 0 | 111.3 | P66 F73 L74 | P66-V70 VanDerWaalsContact O-CG2 3.28Å; P66-V70 WeakPolarHBondContact O-CG2 3.39Å; P66-V70 PolarHBondContact O-N 3.1Å; V70-F73 PolarHBondContact O-N 3.46Å; V70-L74 HydrophobicContact CG1-CD1 3.77Å; V70-L74 HydrophobicContact CG1-CG 4.29Å; V70-L74 WeakPolarHBondContact O-CB 3.49Å; V70-L74 VanDerWaalsContact O-CG 3.23Å; V70-L74 WeakPolarHBondContact O-CG 3.27Å; V70-L74 PolarHBondContact O-N 3.01Å |
| 71 | L | 60.5 | Low | 55.5 | Low | 102 Ų | 102 | 89.9 Ų | 89.9 | 53% | 0.534 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.5 | -41 | 174.6 | -167.5 | 75.2 | 0 | 0 | 0 | 112.1 | I67 F73 L74 M75 | I67-L71 WeakPolarHBondContact O-CB 3.33Å; I67-L71 PolarHBondContact O-N 3.5Å; L71-F73 VanDerWaalsContact C-N 3.32Å; L71-F73 PolarHBondContact O-N 2.89Å; L71-L74 PolarHBondContact O-N 3.43Å; L71-M75 VanDerWaalsContact O-CB 3.28Å; L71-M75 WeakPolarHBondContact O-CB 3.43Å; L71-M75 PolarHBondContact O-N 3.44Å |
| 72 | L | 61 | Low | 55.6 | Low | 108 Ų | 108 | 91.4 Ų | 91.4 | 57% | 0.565 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65.2 | -36.6 | 175.6 | -167.2 | 71.5 | 0 | 0 | 0 | 111.6 | V46 N68 S69 G76 | V46-L72 HydrophobicContact CG1-CD1 4.14Å; N68-L72 VanDerWaalsContact O-CB 3.28Å; N68-L72 WeakPolarHBondContact O-CB 3.49Å; N68-L72 PolarHBondContact O-N 3.05Å; S69-L72 PolarHBondContact O-N 3.39Å; L72-G76 PolarHBondContact O-N 3.28Å |
| 73 | F | 60.4 | Low | 55.4 | Low | 147 Ų | 147 | 90.8 Ų | 90.8 | 65% | 0.645 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -70.9 | -42.4 | 175.4 | -170.3 | -99.5 | 0 | 0 | 0 | 112.4 | S69 V70 L71 G76 M77 | S69-F73 VanDerWaalsContact O-CB 3.31Å; S69-F73 WeakPolarHBondContact O-CB 3.2Å; S69-F73 PolarHBondContact O-N 3.38Å; V70-F73 PolarHBondContact O-N 3.46Å; L71-F73 VanDerWaalsContact C-N 3.32Å; L71-F73 PolarHBondContact O-N 2.89Å; F73-G76 PolarHBondContact O-N 3Å; F73-M77 HydrophobicContact CE1-CG 4.4Å; F73-M77 WeakPolarHBondContact O-CG 2.98Å; F73-M77 PolarHBondContact O-N 3.3Å |
| 74 | L | 57.6 | Low | 55.1 | Low | 106 Ų | 106 | 91.4 Ų | 91.4 | 56% | 0.555 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -68.3 | -36.6 | 176.4 | -73 | 170.2 | 0 | 0 | 0 | 112.2 | V70 L71 M77 A78 | V70-L74 HydrophobicContact CG1-CD1 3.77Å; V70-L74 HydrophobicContact CG1-CG 4.29Å; V70-L74 WeakPolarHBondContact O-CB 3.49Å; V70-L74 VanDerWaalsContact O-CG 3.23Å; V70-L74 WeakPolarHBondContact O-CG 3.27Å; V70-L74 PolarHBondContact O-N 3.01Å; L71-L74 PolarHBondContact O-N 3.43Å; L74-M77 PolarHBondContact O-N 3.3Å; L74-A78 WeakPolarHBondContact O-CB 3.45Å; L74-A78 PolarHBondContact O-N 3.25Å |
| 75 | M | 56.5 | Low | 54.8 | Low | 118 Ų | 118 | 94.8 Ų | 94.8 | 58% | 0.581 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -74.8 | -33.7 | 176.4 | -149.9 | 65.7 | 94.3 | 0 | 0 | 111.9 | L71 M77 A78 C79 | L71-M75 VanDerWaalsContact O-CB 3.28Å; L71-M75 WeakPolarHBondContact O-CB 3.43Å; L71-M75 PolarHBondContact O-N 3.44Å; M75-M77 VanDerWaalsContact C-N 3.35Å; M75-A78 PolarHBondContact O-N 3.14Å; M75-C79 PolarHBondContact O-N 3.43Å |
| 76 | G | 56.6 | Low | 54.5 | Low | 48 Ų | 48 | 95.4 Ų | 95.4 | 50% | 0.495 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -62.9 | -38 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L72 F73 | L72-G76 PolarHBondContact O-N 3.28Å; F73-G76 PolarHBondContact O-N 3Å |
| 77 | M | 55.2 | Low | 54 | Low | 110 Ų | 110 | 96.5 Ų | 96.5 | 54% | 0.542 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -75.3 | -33.4 | 174.9 | -76.7 | -61.6 | -68.3 | 0 | 0 | 113.1 | F73 L74 M75 C79 A80 | F73-M77 HydrophobicContact CE1-CG 4.4Å; F73-M77 WeakPolarHBondContact O-CG 2.98Å; F73-M77 PolarHBondContact O-N 3.3Å; L74-M77 PolarHBondContact O-N 3.3Å; M75-M77 VanDerWaalsContact C-N 3.35Å; M77-C79 VanDerWaalsContact C-N 3.32Å; M77-C79 PolarHBondContact O-N 2.97Å; M77-A80 PolarHBondContact O-N 3.14Å |
| 78 | A | 53.4 | Low | 53.5 | Low | 48 Ų | 48 | 93.2 Ų | 93.2 | 40% | 0.397 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -64.5 | -35.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L74 M75 A80 T81 | L74-A78 WeakPolarHBondContact O-CB 3.45Å; L74-A78 PolarHBondContact O-N 3.25Å; M75-A78 PolarHBondContact O-N 3.14Å; A78-A80 VanDerWaalsContact C-N 3.33Å; A78-A80 PolarHBondContact O-N 2.97Å; A78-T81 PolarHBondContact O-N 3.29Å; A78-T81 PolarHBondContact O-OG1 3.19Å |
| 79 | C | 53.8 | Low | 52.9 | Low | 94 Ų | 94 | 97 Ų | 97 | 64% | 0.635 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | -14.1 | 174.8 | -72.3 | 0 | 0 | 0 | 0 | 114.6 | M75 M77 P82 | M75-C79 PolarHBondContact O-N 3.43Å; M77-C79 VanDerWaalsContact C-N 3.32Å; M77-C79 PolarHBondContact O-N 2.97Å; C79-P82 VanDerWaalsContact O-CD 3.25Å; C79-P82 WeakPolarHBondContact O-CD 3.42Å |
| 80 | A | 46.7 | Very low | 52.1 | Low | 46 Ų | 46 | 99.4 Ų | 99.4 | 38% | 0.38 | 61% | 0.613 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.4 | -12.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | M77 A78 P82 L83 | M77-A80 PolarHBondContact O-N 3.14Å; A78-A80 VanDerWaalsContact C-N 3.33Å; A78-A80 PolarHBondContact O-N 2.97Å; A80-P82 VanDerWaalsContact C-CD 3.46Å; A80-L83 WeakPolarHBondContact O-CB 3.41Å; A80-L83 PolarHBondContact O-N 3.09Å; A80-L83 VanDerWaalsContact O-N 3.12Å |
| 81 | T | 55.6 | Low | 51.1 | Low | 90 Ų | 90 | 99.8 Ų | 99.8 | 55% | 0.552 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -66.8 | -28.1 | -177.1 | 61.5 | 0 | 0 | 0 | 0 | 115.9 | A78 L83 L84 S85 | A78-T81 PolarHBondContact O-N 3.29Å; A78-T81 PolarHBondContact O-OG1 3.19Å; T81-L83 PolarHBondContact O-N 3.43Å; T81-L84 PolarHBondContact O-N 2.92Å; T81-S85 PolarHBondContact O-N 3.46Å |
| 82 | P | 52.3 | Low | 50 | Low | 92 Ų | 92 | 98.8 Ų | 98.8 | 60% | 0.597 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -70.2 | -20.4 | 171.8 | -14.3 | 29.5 | 0 | 0 | 0 | 112.7 | C79 A80 | C79-P82 VanDerWaalsContact O-CD 3.25Å; C79-P82 WeakPolarHBondContact O-CD 3.42Å; A80-P82 VanDerWaalsContact C-CD 3.46Å |
| 83 | L | 48.8 | Very low | 48.8 | Very low | 160 Ų | 160 | 99.3 Ų | 99.3 | 84% | 0.838 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -80.6 | -21.1 | -179.6 | -147.9 | 76.9 | 0 | 0 | 0 | 112.7 | A80 T81 | A80-L83 WeakPolarHBondContact O-CB 3.41Å; A80-L83 PolarHBondContact O-N 3.09Å; A80-L83 VanDerWaalsContact O-N 3.12Å; T81-L83 PolarHBondContact O-N 3.43Å |
| 84 | L | 47.1 | Very low | 47.9 | Very low | 150 Ų | 150 | 103.9 Ų | 103.9 | 79% | 0.785 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -95.6 | -23.9 | 173.6 | -120.2 | 84.8 | 0 | 0 | 0 | 113.3 | T81 | T81-L84 PolarHBondContact O-N 2.92Å |
| 85 | S | 46 | Very low | 47.1 | Very low | 103 Ų | 103 | 107.3 Ų | 107.3 | 72% | 0.72 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | 1.2 | -178.8 | -164 | 0 | 0 | 0 | 0 | 114.6 | T81 A87 | T81-S85 PolarHBondContact O-N 3.46Å; S85-A87 PolarHBondContact O-N 3.38Å |
| 86 | A | 46.6 | Very low | 46 | Very low | 79 Ų | 79 | 105.7 Ų | 105.7 | 65% | 0.653 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | 5.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | G88 | A86-G88 PolarHBondContact O-N 3.47Š|
| 87 | A | 42.9 | Very low | 45.3 | Very low | 96 Ų | 96 | 113.3 Ų | 113.3 | 79% | 0.793 | 69% | 0.692 | S | S | * | * | trans | -82.2 | 29.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | S85 | S85-A87 PolarHBondContact O-N 3.38Š| ||
| 88 | G | 45.6 | Very low | 44.6 | Very low | 41 Ų | 41 | 118.6 Ų | 118.6 | 42% | 0.423 | 71% | 0.706 | S | S | . | * | S | Bend | trans | -79.4 | 150.7 | 162.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | A86 V90 | A86-G88 PolarHBondContact O-N 3.47Å; G88-V90 VanDerWaalsContact C-N 3.27Å; G88-V90 PolarHBondContact O-N 2.98Å |
| 89 | P | 47.2 | Very low | 43.8 | Very low | 138 Ų | 138 | 118.8 Ų | 118.8 | 90% | 0.896 | 71% | 0.713 | S | S | * | * | trans | -71.8 | 86.3 | 178 | 30.3 | -31.9 | 0 | 0 | 0 | 109.1 | A91 | P89-A91 PolarHBondContact O-N 3.41Š| ||
| 90 | V | 40.6 | Very low | 44 | Very low | 128 Ų | 128 | 126.2 Ų | 126.2 | 78% | 0.776 | 73% | 0.727 | S | S | * | * | trans | -74 | 114 | 166.2 | 178.8 | 0 | 0 | 0 | 0 | 106.1 | G88 A92 | G88-V90 VanDerWaalsContact C-N 3.27Å; G88-V90 PolarHBondContact O-N 2.98Å; V90-A92 PolarHBondContact O-N 3.45Å | ||
| 91 | A | 38.2 | Very low | 43.5 | Very low | 91 Ų | 91 | 128.6 Ų | 128.6 | 75% | 0.752 | 75% | 0.748 | S | S | * | * | trans | -50.1 | 115.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | P89 P93 | P89-A91 PolarHBondContact O-N 3.41Å; A91-P93 WeakPolarHBondContact O-CD 3.23Å | ||
| 92 | A | 36.8 | Very low | 43.3 | Very low | 82 Ų | 82 | 132 Ų | 132 | 68% | 0.678 | 76% | 0.761 | S | S | * | * | trans | -60.6 | 129.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | V90 R94 | V90-A92 PolarHBondContact O-N 3.45Å; A92-R94 PolarHBondContact O-N 3.01Å; A92-R94 VanDerWaalsContact O-N 3.13Å | ||
| 93 | P | 36.6 | Very low | 43.1 | Very low | 119 Ų | 119 | 135 Ų | 135 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | trans | -61.5 | 113.5 | 151.3 | -12.2 | 27.7 | 0 | 0 | 0 | 106.3 | A91 E95 | A91-P93 WeakPolarHBondContact O-CD 3.23Å; P93-E95 PolarHBondContact O-N 3.5Å | ||
| 94 | R | 41.5 | Very low | 42.6 | Very low | 243 Ų | 243 | 132.2 Ų | 132.2 | 92% | 0.917 | 77% | 0.766 | S | S | * | * | trans | -69 | 86.3 | 166.7 | -80.1 | 179.7 | 167.2 | 158.5 | -3.4 | 107.7 | A92 | A92-R94 PolarHBondContact O-N 3.01Å; A92-R94 VanDerWaalsContact O-N 3.13Å | ||
| 95 | E | 41.6 | Very low | 42.5 | Very low | 178 Ų | 178 | 131 Ų | 131 | 83% | 0.832 | 76% | 0.764 | S | S | * | * | trans | -98.1 | 114.4 | 158.8 | -79.1 | -64 | 157.6 | 0 | 0 | 107.7 | P93 F97 | P93-E95 PolarHBondContact O-N 3.5Å; E95-F97 PolarHBondContact O-N 3.27Å | ||
| 96 | A | 33.5 | Very low | 42.2 | Very low | 83 Ų | 83 | 133.5 Ų | 133.5 | 69% | 0.686 | 76% | 0.764 | S | S | * | * | trans | -65.2 | 132.1 | -173.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | R98 | A96-R98 PolarHBondContact O-N 3.4Š| ||
| 97 | F | 41.8 | Very low | 42 | Very low | 209 Ų | 209 | 135.2 Ų | 135.2 | 92% | 0.917 | 77% | 0.771 | S | S | * | * | trans | -59.2 | 87.3 | 159.6 | -176.3 | -99.1 | 0 | 0 | 0 | 108.5 | E95 G99 | E95-F97 PolarHBondContact O-N 3.27Å; F97-G99 PolarHBondContact O-N 3.41Å | ||
| 98 | R | 39.3 | Very low | 41.7 | Very low | 221 Ų | 221 | 133 Ų | 133 | 83% | 0.834 | 76% | 0.758 | S | S | * | * | trans | -98.7 | 84.7 | 175.1 | -158.5 | 175.4 | -162.6 | -175.8 | 3.9 | 107.9 | A96 R100 | A96-R98 PolarHBondContact O-N 3.4Å; R98-R100 PolarHBondContact O-N 3.41Å | ||
| 99 | G | 37.9 | Very low | 41.5 | Very low | 52 Ų | 52 | 136 Ų | 136 | 54% | 0.536 | 77% | 0.773 | S | S | . | * | trans | -52.8 | 125 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | F97 | F97-G99 PolarHBondContact O-N 3.41Š| ||
| 100 | R | 56.8 | Low | 41.8 | Very low | 249 Ų | 249 | 137.5 Ų | 137.5 | 94% | 0.94 | 77% | 0.765 | S | S | * | * | trans | 68.8 | 95.6 | 164.8 | -54.9 | 177.5 | 171.7 | -173 | -4 | 115.1 | R98 | R98-R100 PolarHBondContact O-N 3.41Š| ||
| 101 | A | 35.9 | Very low | 42.6 | Very low | 97 Ų | 97 | 136.8 Ų | 136.8 | 80% | 0.802 | 76% | 0.763 | S | S | * | * | trans | -131.3 | 108.7 | 150.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 102 | L | 53.3 | Low | 43.6 | Very low | 161 Ų | 161 | 137.4 Ų | 137.4 | 84% | 0.843 | 75% | 0.749 | S | S | * | * | trans | -76 | 144.3 | 175.1 | -112.8 | 161.9 | 0 | 0 | 0 | 109.9 | ||||
| 103 | L | 46.3 | Very low | 45.2 | Very low | 154 Ų | 154 | 137.1 Ų | 137.1 | 81% | 0.806 | 74% | 0.739 | S | S | * | * | trans | 64.2 | 80.2 | 163.1 | -64.5 | 167 | 0 | 0 | 0 | 117.4 | ||||
| 104 | S | 38.3 | Very low | 46.7 | Very low | 103 Ų | 103 | 141.4 Ų | 141.4 | 72% | 0.72 | 74% | 0.74 | S | S | * | * | trans | -129.9 | 99.4 | 139.8 | -175 | 0 | 0 | 0 | 0 | 108.6 | E106 | S104-E106 VanDerWaalsContact C-N 3.32Å; S104-E106 PolarHBondContact O-N 2.97Å | ||
| 105 | V | 45.9 | Very low | 47.9 | Very low | 123 Ų | 123 | 135.8 Ų | 135.8 | 75% | 0.745 | 72% | 0.723 | S | S | * | * | trans | -79.1 | 90.4 | 162.4 | 171.5 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 106 | E | 40 | Very low | 49.2 | Very low | 156 Ų | 156 | 129.2 Ų | 129.2 | 73% | 0.729 | 69% | 0.693 | S | S | * | * | trans | -90.7 | 97.4 | 155.7 | -105.1 | 178.3 | 158.7 | 0 | 0 | 107.1 | S104 G108 | S104-E106 VanDerWaalsContact C-N 3.32Å; S104-E106 PolarHBondContact O-N 2.97Å; E106-G108 PolarHBondContact O-N 3.03Å | ||
| 107 | S | 41.5 | Very low | 51 | Low | 115 Ų | 115 | 128.4 Ų | 128.4 | 80% | 0.804 | 68% | 0.679 | S | S | * | * | trans | -67.2 | 71.5 | 165.7 | -82.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 108 | G | 38.2 | Very low | 52.5 | Low | 49 Ų | 49 | 122.4 Ų | 122.4 | 51% | 0.505 | 66% | 0.656 | S | S | . | * | trans | -98.5 | 74.9 | 167.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | E106 K110 | E106-G108 PolarHBondContact O-N 3.03Å; G108-K110 VanDerWaalsContact C-N 3.3Å; G108-K110 PolarHBondContact O-N 3.34Å | ||
| 109 | S | 41.4 | Very low | 54.1 | Low | 105 Ų | 105 | 111.9 Ų | 111.9 | 73% | 0.734 | 62% | 0.616 | S | S | * | * | trans | -61.9 | 94.3 | 166.6 | 57.4 | 0 | 0 | 0 | 0 | 108.3 | P111 | S109-P111 WeakPolarHBondContact O-CD 3.49Å; S109-P111 VanDerWaalsContact O-N 3.12Å | ||
| 110 | K | 52.9 | Low | 55.9 | Low | 170 Ų | 170 | 112.6 Ų | 112.6 | 74% | 0.739 | 61% | 0.605 | S | S | * | * | trans | -59.3 | 114.5 | 166.5 | -74.4 | 179.6 | 179.7 | 172.7 | 0 | 106.6 | G108 | G108-K110 VanDerWaalsContact C-N 3.3Å; G108-K110 PolarHBondContact O-N 3.34Å | ||
| 111 | P | 57.8 | Low | 56.8 | Low | 112 Ų | 112 | 104.4 Ų | 104.4 | 73% | 0.727 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 142.6 | -178.8 | 26.1 | -31.3 | 0 | 0 | 0 | 109.4 | S109 T113 | S109-P111 WeakPolarHBondContact O-CD 3.49Å; S109-P111 VanDerWaalsContact O-N 3.12Å; P111-T113 PolarHBondContact O-N 3.43Å |
| 112 | F | 58.2 | Low | 58.6 | Low | 105 Ų | 105 | 101.7 Ų | 101.7 | 46% | 0.461 | 55% | 0.554 | S | S | . | * | P | Polyproline II helix | trans | -50.9 | 122.7 | 176 | -69.8 | -84.3 | 0 | 0 | 0 | 110.8 | V117 H186 | F112-V117 HydrophobicContact CB-CG2 3.7Å; F112-V117 HydrophobicContact CG-CG2 4.44Å; F112-H186 AromaticContact CD1-CE1 3.54Å; F112-H186 AromaticContact CD1-ND1 3.98Å; F112-H186 AromaticContact CE1-CE1 3.4Å; F112-H186 WeakPolarHBondContact CE1-CE1 3.42Å; F112-H186 AromaticContact CE1-ND1 3.34Å; F112-H186 VanDerWaalsContact CE1-ND1 3.34Å; F112-H186 WeakPolarHBondContact CE1-ND1 3.42Å |
| 113 | T | 69.6 | Low | 59.7 | Low | 75 Ų | 75 | 94 Ų | 94 | 46% | 0.46 | 51% | 0.513 | S | S | . | . | P | Polyproline II helix | trans | -69.4 | 143.2 | 171.9 | -53.9 | 0 | 0 | 0 | 0 | 108.3 | P111 Q115 E116 V117 | P111-T113 PolarHBondContact O-N 3.43Å; T113-Q115 HydrophobicContact CG2-CB 4.43Å; T113-Q115 PolarHBondContact O-N 3.03Å; T113-E116 WeakPolarHBondContact CB-OE2 3.36Å; T113-E116 PolarHBondContact N-OE2 2.91Å; T113-E116 WeakPolarHBondContact O-CB 3.48Å; T113-E116 PolarHBondContact O-N 3.49Å; T113-E116 PolarHBondContact OG1-OE2 3.36Å; T113-V117 PolarHBondContact O-N 3.03Å; T113-V117 VanDerWaalsContact O-N 3.13Å |
| 114 | R | 70 | Confident | 61.1 | Low | 210 Ų | 210 | 88.3 Ų | 88.3 | 79% | 0.792 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -53.8 | -32.3 | -179.1 | -167.7 | -177.3 | -68.3 | -151.4 | 0.1 | 112.6 | I118 | R114-I118 HydrophobicContact CG-CD1 4.42Å; R114-I118 WeakPolarHBondContact O-CD1 3.23Å; R114-I118 VanDerWaalsContact O-CG1 3.26Å; R114-I118 WeakPolarHBondContact O-CG1 3.3Å; R114-I118 PolarHBondContact O-N 2.95Å |
| 115 | Q | 66.1 | Low | 63 | Low | 124 Ų | 124 | 87.8 Ų | 87.8 | 58% | 0.579 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -68.4 | -42.4 | 176 | -68.7 | 175.7 | -16.9 | 0 | 0 | 112.4 | L26 T113 V117 I118 G119 | L26-Q115 CarbonylContact O-C 3.51Å; T113-Q115 HydrophobicContact CG2-CB 4.43Å; T113-Q115 PolarHBondContact O-N 3.03Å; Q115-V117 VanDerWaalsContact C-N 3.34Å; Q115-V117 PolarHBondContact O-N 2.97Å; Q115-I118 PolarHBondContact O-N 3.37Å; Q115-G119 PolarHBondContact O-N 3.48Å |
| 116 | E | 68.3 | Low | 64.5 | Low | 40 Ų | 40 | 81.9 Ų | 81.9 | 19% | 0.187 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -63.9 | -39.5 | 176.7 | -61.7 | 172.7 | 124.5 | 0 | 0 | 111.6 | T113 I118 G119 F120 H186 | T113-E116 WeakPolarHBondContact CB-OE2 3.36Å; T113-E116 PolarHBondContact N-OE2 2.91Å; T113-E116 WeakPolarHBondContact O-CB 3.48Å; T113-E116 PolarHBondContact O-N 3.49Å; T113-E116 PolarHBondContact OG1-OE2 3.36Å; E116-I118 VanDerWaalsContact C-N 3.32Å; E116-I118 PolarHBondContact O-N 3.4Å; E116-G119 PolarHBondContact O-N 3.37Å; E116-F120 VanDerWaalsContact O-CB 3.31Å; E116-F120 WeakPolarHBondContact O-CB 3.4Å; E116-F120 PolarHBondContact O-N 2.83Å; E116-H186 IonicContact OE1-CD2 3.9Å; E116-H186 IonicContact OE1-CE1 3.76Å; E116-H186 IonicContact OE1-NE2 2.88Å; E116-H186 PolarHBondContact OE1-NE2 3.35Å; E116-H186 IonicContact OE2-NE2 3.8Å |
| 117 | V | 72.3 | Confident | 66.3 | Low | 67 Ų | 67 | 74.9 Ų | 74.9 | 41% | 0.406 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.5 | -41.4 | 175.5 | 180 | 0 | 0 | 0 | 0 | 111 | F112 T113 Q115 F120 V121 | F112-V117 HydrophobicContact CB-CG2 3.7Å; F112-V117 HydrophobicContact CG-CG2 4.44Å; T113-V117 PolarHBondContact O-N 3.03Å; T113-V117 VanDerWaalsContact O-N 3.13Å; Q115-V117 VanDerWaalsContact C-N 3.34Å; Q115-V117 PolarHBondContact O-N 2.97Å; V117-F120 PolarHBondContact O-N 2.92Å; V117-V121 VanDerWaalsContact O-CG2 3.32Å; V117-V121 WeakPolarHBondContact O-CG2 3.44Å; V117-V121 PolarHBondContact O-N 2.93Å |
| 118 | I | 72.9 | Confident | 68.1 | Low | 83 Ų | 83 | 73.1 Ų | 73.1 | 43% | 0.426 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -65.2 | -45.1 | 176.6 | -66.2 | 163.3 | 0 | 0 | 0 | 110.1 | L26 R114 Q115 E116 F120 V121 I122 | L26-I118 HydrophobicContact CD1-CG2 4.22Å; R114-I118 HydrophobicContact CG-CD1 4.42Å; R114-I118 WeakPolarHBondContact O-CD1 3.23Å; R114-I118 VanDerWaalsContact O-CG1 3.26Å; R114-I118 WeakPolarHBondContact O-CG1 3.3Å; R114-I118 PolarHBondContact O-N 2.95Å; Q115-I118 PolarHBondContact O-N 3.37Å; E116-I118 VanDerWaalsContact C-N 3.32Å; E116-I118 PolarHBondContact O-N 3.4Å; I118-F120 VanDerWaalsContact C-N 3.33Å; I118-F120 PolarHBondContact O-N 3.31Å; I118-V121 PolarHBondContact O-N 3.35Å; I118-I122 HydrophobicContact CG2-CD1 3.71Å; I118-I122 HydrophobicContact CG2-CG1 4.42Å; I118-I122 VanDerWaalsContact O-CG1 3.29Å; I118-I122 WeakPolarHBondContact O-CG1 3.46Å; I118-I122 PolarHBondContact O-N 3.04Å |
| 119 | G | 73.2 | Confident | 69.9 | Low | 0 Ų | 0 | 74.6 Ų | 74.6 | 0% | 0 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -59.6 | -41.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q115 E116 I122 G123 | Q115-G119 PolarHBondContact O-N 3.48Å; E116-G119 PolarHBondContact O-N 3.37Å; G119-I122 PolarHBondContact O-N 2.89Å; G119-G123 PolarHBondContact O-N 3.3Å |
| 120 | F | 74.4 | Confident | 71.5 | Confident | 67 Ų | 67 | 71.5 Ų | 71.5 | 29% | 0.294 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.6 | -45.6 | 175.8 | -177.1 | -79.5 | 0 | 0 | 0 | 112.3 | E116 V117 I118 S124 L185 L188 P189 | E116-F120 VanDerWaalsContact O-CB 3.31Å; E116-F120 WeakPolarHBondContact O-CB 3.4Å; E116-F120 PolarHBondContact O-N 2.83Å; V117-F120 PolarHBondContact O-N 2.92Å; I118-F120 VanDerWaalsContact C-N 3.33Å; I118-F120 PolarHBondContact O-N 3.31Å; F120-S124 WeakPolarHBondContact O-CB 3.39Å; F120-S124 PolarHBondContact O-N 3Å; F120-S124 PolarHBondContact O-OG 3.49Å; F120-L185 WeakPolarHBondContact CE2-O 3.5Å; F120-L188 HydrophobicContact CE2-CB 4.48Å; F120-P189 HydrophobicContact CD1-CG 3.99Å; F120-P189 HydrophobicContact CD2-CG 3.36Å; F120-P189 HydrophobicContact CE1-CG 3.85Å; F120-P189 HydrophobicContact CE2-CG 3.23Å; F120-P189 HydrophobicContact CG-CG 3.76Å; F120-P189 HydrophobicContact CZ-CG 3.47Å; F120-P189 VanDerWaalsContact CZ-CG 3.47Å |
| 121 | V | 75.6 | Confident | 72.8 | Confident | 76 Ų | 76 | 65.4 Ų | 65.4 | 46% | 0.461 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -65.3 | -45.6 | 179 | 171.5 | 0 | 0 | 0 | 0 | 110.6 | V117 I118 S124 I125 | V117-V121 VanDerWaalsContact O-CG2 3.32Å; V117-V121 WeakPolarHBondContact O-CG2 3.44Å; V117-V121 PolarHBondContact O-N 2.93Å; I118-V121 PolarHBondContact O-N 3.35Å; V121-S124 WeakPolarHBondContact O-CB 3.3Å; V121-S124 PolarHBondContact O-N 2.81Å; V121-I125 HydrophobicContact CG1-CD1 4.05Å; V121-I125 WeakPolarHBondContact O-CG1 3.36Å; V121-I125 PolarHBondContact O-N 3.28Å |
| 122 | I | 75.3 | Confident | 73.7 | Confident | 40 Ų | 40 | 64.6 Ų | 64.6 | 21% | 0.205 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.2 | -44.1 | 178.5 | -65.2 | 171.1 | 0 | 0 | 0 | 110.8 | C19 I22 L26 I118 G119 S124 I125 S126 | C19-I122 HydrophobicContact CB-CG2 3.98Å; C19-I122 VanDerWaalsContact O-CG2 3.26Å; C19-I122 WeakPolarHBondContact O-CG2 3.41Å; I22-I122 HydrophobicContact CG2-CD1 4.13Å; L26-I122 HydrophobicContact CD1-CD1 4Å; I118-I122 HydrophobicContact CG2-CD1 3.71Å; I118-I122 HydrophobicContact CG2-CG1 4.42Å; I118-I122 VanDerWaalsContact O-CG1 3.29Å; I118-I122 WeakPolarHBondContact O-CG1 3.46Å; I118-I122 PolarHBondContact O-N 3.04Å; G119-I122 PolarHBondContact O-N 2.89Å; I122-S124 VanDerWaalsContact C-N 3.33Å; I122-S124 PolarHBondContact O-N 3.15Å; I122-I125 PolarHBondContact O-N 2.99Å; I122-S126 PolarHBondContact O-N 2.96Å |
| 123 | G | 75.3 | Confident | 74.6 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.7 | -40.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | G119 I125 S126 S127 | G119-G123 PolarHBondContact O-N 3.3Å; G123-I125 PolarHBondContact O-N 3.5Å; G123-S126 WeakPolarHBondContact O-CB 3.29Å; G123-S126 PolarHBondContact O-N 3Å; G123-S127 PolarHBondContact O-N 3.4Å; G123-S127 PolarHBondContact O-OG 3.43Å |
| 124 | S | 76.3 | Confident | 74.8 | Confident | 35 Ų | 35 | 58.8 Ų | 58.8 | 25% | 0.245 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.3 | -43.7 | 175.7 | -60.3 | 0 | 0 | 0 | 0 | 112.2 | F120 V121 I122 S126 S127 V128 P189 | F120-S124 WeakPolarHBondContact O-CB 3.39Å; F120-S124 PolarHBondContact O-N 3Å; F120-S124 PolarHBondContact O-OG 3.49Å; V121-S124 WeakPolarHBondContact O-CB 3.3Å; V121-S124 PolarHBondContact O-N 2.81Å; I122-S124 VanDerWaalsContact C-N 3.33Å; I122-S124 PolarHBondContact O-N 3.15Å; S124-S126 VanDerWaalsContact C-N 3.32Å; S124-S126 PolarHBondContact O-N 3.45Å; S124-S127 PolarHBondContact O-N 3.16Å; S124-V128 WeakPolarHBondContact O-CG2 3.38Å; S124-V128 PolarHBondContact O-N 3.47Å; S124-P189 WeakPolarHBondContact OG-CB 3.47Å; S124-P189 WeakPolarHBondContact OG-CG 3.46Å |
| 125 | I | 77.3 | Confident | 75.2 | Confident | 91 Ų | 91 | 52.9 Ų | 52.9 | 47% | 0.467 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.8 | -44.3 | 175.6 | -67.5 | 164.9 | 0 | 0 | 0 | 110 | V121 I122 G123 S127 V128 L129 | V121-I125 HydrophobicContact CG1-CD1 4.05Å; V121-I125 WeakPolarHBondContact O-CG1 3.36Å; V121-I125 PolarHBondContact O-N 3.28Å; I122-I125 PolarHBondContact O-N 2.99Å; G123-I125 PolarHBondContact O-N 3.5Å; I125-S127 PolarHBondContact O-N 2.93Å; I125-V128 PolarHBondContact O-N 2.84Å; I125-L129 HydrophobicContact CG2-CD1 4.09Å; I125-L129 HydrophobicContact CG2-CG 4.45Å; I125-L129 WeakPolarHBondContact O-CG 3.28Å; I125-L129 PolarHBondContact O-N 3.45Å |
| 126 | S | 77.8 | Confident | 75.5 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59 | -47.2 | 176.2 | -170.9 | 0 | 0 | 0 | 0 | 112.4 | G16 I122 G123 S124 V128 L129 Y130 | G16-S126 PolarHBondContact O-OG 3.32Å; I122-S126 PolarHBondContact O-N 2.96Å; G123-S126 WeakPolarHBondContact O-CB 3.29Å; G123-S126 PolarHBondContact O-N 3Å; S124-S126 VanDerWaalsContact C-N 3.32Å; S124-S126 PolarHBondContact O-N 3.45Å; S126-V128 VanDerWaalsContact C-N 3.31Å; S126-V128 PolarHBondContact O-N 3.28Å; S126-L129 PolarHBondContact O-N 3.49Å; S126-L129 VanDerWaalsContact O-N 3.16Å; S126-Y130 WeakPolarHBondContact O-CD2 3.33Å; S126-Y130 PolarHBondContact O-N 2.94Å; S126-Y130 WeakPolarHBondContact OG-CE2 3.26Å |
| 127 | S | 77.3 | Confident | 75.5 | Confident | 8 Ų | 8 | 51.3 Ų | 51.3 | 6% | 0.056 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.4 | -42 | 178.5 | -69.8 | 0 | 0 | 0 | 0 | 112.2 | G123 S124 I125 Y130 L131 P189 G193 | G123-S127 PolarHBondContact O-N 3.4Å; G123-S127 PolarHBondContact O-OG 3.43Å; S124-S127 PolarHBondContact O-N 3.16Å; I125-S127 PolarHBondContact O-N 2.93Å; S127-Y130 PolarHBondContact O-N 3.3Å; S127-L131 WeakPolarHBondContact O-CG 3.46Å; S127-L131 PolarHBondContact O-N 3.24Å; S127-P189 WeakPolarHBondContact CB-O 3.46Å; S127-P189 PolarHBondContact OG-O 3.32Å; S127-G193 WeakPolarHBondContact OG-CA 3.19Å |
| 128 | V | 79.2 | Confident | 75.8 | Confident | 79 Ų | 79 | 49.4 Ų | 49.4 | 48% | 0.479 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.1 | -43.5 | 175.2 | 172.3 | 0 | 0 | 0 | 0 | 111 | S124 I125 S126 Y130 L131 L132 | S124-V128 WeakPolarHBondContact O-CG2 3.38Å; S124-V128 PolarHBondContact O-N 3.47Å; I125-V128 PolarHBondContact O-N 2.84Å; S126-V128 VanDerWaalsContact C-N 3.31Å; S126-V128 PolarHBondContact O-N 3.28Å; V128-Y130 PolarHBondContact O-N 3.22Å; V128-L131 PolarHBondContact O-N 3.46Å; V128-L132 HydrophobicContact CG1-CD1 3.79Å; V128-L132 HydrophobicContact CG1-CG 4.17Å; V128-L132 WeakPolarHBondContact O-CB 3.5Å; V128-L132 VanDerWaalsContact O-CG 3.27Å; V128-L132 WeakPolarHBondContact O-CG 3.38Å; V128-L132 PolarHBondContact O-N 3.04Å |
| 129 | L | 76.9 | Confident | 75.8 | Confident | 80 Ų | 80 | 54 Ų | 54 | 42% | 0.419 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.6 | -41.9 | 177.3 | -71.7 | 174.1 | 0 | 0 | 0 | 112.1 | I125 S126 L132 S133 | I125-L129 HydrophobicContact CG2-CD1 4.09Å; I125-L129 HydrophobicContact CG2-CG 4.45Å; I125-L129 WeakPolarHBondContact O-CG 3.28Å; I125-L129 PolarHBondContact O-N 3.45Å; S126-L129 PolarHBondContact O-N 3.49Å; S126-L129 VanDerWaalsContact O-N 3.16Å; L129-L132 PolarHBondContact O-N 3.32Å; L129-S133 WeakPolarHBondContact O-CB 3.26Å; L129-S133 PolarHBondContact O-N 2.95Å |
| 130 | Y | 75.8 | Confident | 75.8 | Confident | 39 Ų | 39 | 56.5 Ų | 56.5 | 15% | 0.153 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.6 | -45.3 | 175 | -72.1 | -57.5 | 0 | 0 | 0 | 112.2 | D17 N20 S126 S127 V128 L132 S133 R134 | D17-Y130 VanDerWaalsContact CA-OH 3.32Å; D17-Y130 WeakPolarHBondContact CA-OH 3.48Å; D17-Y130 PolarHBondContact N-OH 3.47Å; D17-Y130 WeakPolarHBondContact OD1-CE1 3.44Å; D17-Y130 VanDerWaalsContact OD1-CZ 3.3Å; D17-Y130 PolarHBondContact OD1-OH 2.72Å; N20-Y130 HydrophobicContact CB-CE2 4.45Å; S126-Y130 WeakPolarHBondContact O-CD2 3.33Å; S126-Y130 PolarHBondContact O-N 2.94Å; S126-Y130 WeakPolarHBondContact OG-CE2 3.26Å; S127-Y130 PolarHBondContact O-N 3.3Å; V128-Y130 PolarHBondContact O-N 3.22Å; Y130-L132 PolarHBondContact O-N 3.48Å; Y130-S133 WeakPolarHBondContact O-CB 3.29Å; Y130-S133 PolarHBondContact O-N 3.46Å; Y130-S133 PolarHBondContact O-OG 2.88Å; Y130-R134 PolarHBondContact O-N 3.42Å |
| 131 | L | 78.8 | Confident | 75.6 | Confident | 43 Ų | 43 | 53.5 Ų | 53.5 | 23% | 0.225 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.2 | -48.4 | 176 | -79.3 | 162.6 | 0 | 0 | 0 | 111.4 | S127 V128 S133 R134 G196 V197 L200 | S127-L131 WeakPolarHBondContact O-CG 3.46Å; S127-L131 PolarHBondContact O-N 3.24Å; V128-L131 PolarHBondContact O-N 3.46Å; L131-S133 VanDerWaalsContact C-N 3.28Å; L131-S133 PolarHBondContact O-N 3.04Å; L131-R134 PolarHBondContact O-N 3.37Å; L131-G196 VanDerWaalsContact CD2-C 3.47Å; L131-V197 HydrophobicContact CD2-CG2 4.5Å; L131-L200 HydrophobicContact CD2-CD1 3.66Å; L131-L200 HydrophobicContact CD2-CG 4.38Å; L131-L200 WeakPolarHBondContact O-CD1 3.37Å |
| 132 | L | 77.5 | Confident | 75.7 | Confident | 95 Ų | 95 | 55.3 Ų | 55.3 | 50% | 0.497 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -65.3 | -31.7 | 179.2 | -68.4 | 177.8 | 0 | 0 | 0 | 112.1 | V128 L129 Y130 R134 L135 P136 | V128-L132 HydrophobicContact CG1-CD1 3.79Å; V128-L132 HydrophobicContact CG1-CG 4.17Å; V128-L132 WeakPolarHBondContact O-CB 3.5Å; V128-L132 VanDerWaalsContact O-CG 3.27Å; V128-L132 WeakPolarHBondContact O-CG 3.38Å; V128-L132 PolarHBondContact O-N 3.04Å; L129-L132 PolarHBondContact O-N 3.32Å; Y130-L132 PolarHBondContact O-N 3.48Å; L132-R134 PolarHBondContact O-N 2.88Å; L132-L135 HydrophobicContact CD2-CD1 4.03Å; L132-L135 PolarHBondContact O-N 3.21Å; L132-P136 WeakPolarHBondContact O-CD 3.32Å |
| 133 | S | 76.4 | Confident | 75.6 | Confident | 34 Ų | 34 | 59.2 Ų | 59.2 | 24% | 0.238 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.2 | -27.1 | 177.8 | 81.2 | 0 | 0 | 0 | 0 | 113.5 | L129 Y130 L131 | L129-S133 WeakPolarHBondContact O-CB 3.26Å; L129-S133 PolarHBondContact O-N 2.95Å; Y130-S133 WeakPolarHBondContact O-CB 3.29Å; Y130-S133 PolarHBondContact O-N 3.46Å; Y130-S133 PolarHBondContact O-OG 2.88Å; L131-S133 VanDerWaalsContact C-N 3.28Å; L131-S133 PolarHBondContact O-N 3.04Å |
| 134 | R | 73.7 | Confident | 75.4 | Confident | 23 Ų | 23 | 66.8 Ų | 66.8 | 9% | 0.087 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -82.8 | -27.6 | -177.2 | -66.8 | -67.7 | -173.1 | -101 | 3.7 | 112.9 | Y130 L131 L132 Q137 I138 L200 D201 | Y130-R134 PolarHBondContact O-N 3.42Å; L131-R134 PolarHBondContact O-N 3.37Å; L132-R134 PolarHBondContact O-N 2.88Å; R134-Q137 WeakPolarHBondContact O-CB 3.14Å; R134-Q137 PolarHBondContact O-N 3.5Å; R134-I138 WeakPolarHBondContact O-CG1 3.18Å; R134-I138 PolarHBondContact O-N 2.92Å; R134-I138 VanDerWaalsContact O-N 3.14Å; R134-L200 HydrophobicContact CB-CB 4.14Å; R134-L200 HydrophobicContact CB-CD1 3.75Å; R134-L200 HydrophobicContact CG-CD1 4.46Å; R134-D201 WeakPolarHBondContact CD-OD1 3.46Å; R134-D201 IonicContact NE-OD1 3.04Å; R134-D201 PolarHBondContact NE-OD1 2.82Å |
| 135 | L | 78.8 | Confident | 75.2 | Confident | 87 Ų | 87 | 70.6 Ų | 70.6 | 46% | 0.455 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.5 | -45.1 | -177.9 | -62.7 | 175.6 | 0 | 0 | 0 | 114.2 | L132 Q137 I138 R139 L200 | L132-L135 HydrophobicContact CD2-CD1 4.03Å; L132-L135 PolarHBondContact O-N 3.21Å; L135-Q137 PolarHBondContact O-N 3.24Å; L135-I138 PolarHBondContact O-N 3.08Å; L135-R139 PolarHBondContact O-N 3.23Å; L135-L200 HydrophobicContact CD2-CD1 4.48Å; L135-L200 HydrophobicContact CD2-CD2 4.21Å |
| 136 | P | 71.8 | Confident | 74.6 | Confident | 76 Ų | 76 | 68.1 Ų | 68.1 | 49% | 0.494 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -58.5 | -35.6 | 174.8 | -25.3 | 33.5 | 0 | 0 | 0 | 112.7 | L132 R139 T140 | L132-P136 WeakPolarHBondContact O-CD 3.32Å; P136-R139 PolarHBondContact O-N 3.45Å; P136-T140 VanDerWaalsContact O-CB 3.31Å; P136-T140 WeakPolarHBondContact O-CB 3.47Å; P136-T140 PolarHBondContact O-N 3.31Å; P136-T140 PolarHBondContact O-OG1 3.3Å |
| 137 | Q | 69.8 | Low | 73.9 | Confident | 55 Ų | 55 | 69 Ų | 69 | 26% | 0.257 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -66.9 | -47.5 | 179.3 | -161.8 | 65.9 | 45.6 | 0 | 0 | 111 | R134 L135 R139 T140 N141 I150 | R134-Q137 WeakPolarHBondContact O-CB 3.14Å; R134-Q137 PolarHBondContact O-N 3.5Å; L135-Q137 PolarHBondContact O-N 3.24Å; Q137-R139 VanDerWaalsContact C-N 3.33Å; Q137-R139 PolarHBondContact O-N 3.23Å; Q137-T140 PolarHBondContact O-N 3.2Å; Q137-N141 WeakPolarHBondContact O-CB 3.39Å; Q137-N141 PolarHBondContact O-N 3.16Å; Q137-N141 PolarHBondContact O-OD1 2.95Å; Q137-I150 HydrophobicContact CG-CD1 4.32Å |
| 138 | I | 77.2 | Confident | 73 | Confident | 26 Ų | 26 | 76.1 Ų | 76.1 | 13% | 0.133 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -58.2 | -46.4 | 175.9 | -67.7 | 169.2 | 0 | 0 | 0 | 110.8 | R134 L135 N141 F142 L200 I203 I204 | R134-I138 WeakPolarHBondContact O-CG1 3.18Å; R134-I138 PolarHBondContact O-N 2.92Å; R134-I138 VanDerWaalsContact O-N 3.14Å; L135-I138 PolarHBondContact O-N 3.08Å; I138-N141 PolarHBondContact O-N 3.03Å; I138-F142 WeakPolarHBondContact O-CB 3.39Å; I138-F142 PolarHBondContact O-N 3.47Å; I138-L200 HydrophobicContact CD1-CB 4.21Å; I138-L200 HydrophobicContact CD1-CD2 3.99Å; I138-I203 HydrophobicContact CD1-CG2 4.43Å; I138-I203 HydrophobicContact CG2-CG2 4.32Å; I138-I204 HydrophobicContact CD1-CD1 4.37Å; I138-I204 HydrophobicContact CD1-CG1 4.13Å; I138-I204 HydrophobicContact CG1-CD1 3.85Å; I138-I204 HydrophobicContact CG1-CG1 3.44Å; I138-I204 VanDerWaalsContact CG1-CG1 3.44Å |
| 139 | R | 74.4 | Confident | 71.9 | Confident | 181 Ų | 181 | 75.3 Ų | 75.3 | 68% | 0.683 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -62.9 | -44.8 | 179 | -174.3 | 179.9 | 179.5 | -178.5 | 0.3 | 111.4 | L135 P136 Q137 F142 L143 | L135-R139 PolarHBondContact O-N 3.23Å; P136-R139 PolarHBondContact O-N 3.45Å; Q137-R139 VanDerWaalsContact C-N 3.33Å; Q137-R139 PolarHBondContact O-N 3.23Å; R139-F142 PolarHBondContact O-N 3Å; R139-L143 HydrophobicContact CG-CD1 4Å; R139-L143 HydrophobicContact CG-CG 4.45Å; R139-L143 WeakPolarHBondContact O-CB 3.4Å; R139-L143 VanDerWaalsContact O-CG 3.3Å; R139-L143 WeakPolarHBondContact O-CG 3.43Å; R139-L143 PolarHBondContact O-N 3Å |
| 140 | T | 71.9 | Confident | 71.2 | Confident | 51 Ų | 51 | 73.6 Ų | 73.6 | 31% | 0.313 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -65.4 | -43.1 | -178.9 | -57.6 | 0 | 0 | 0 | 0 | 111.2 | P136 Q137 F142 L143 R144 | P136-T140 VanDerWaalsContact O-CB 3.31Å; P136-T140 WeakPolarHBondContact O-CB 3.47Å; P136-T140 PolarHBondContact O-N 3.31Å; P136-T140 PolarHBondContact O-OG1 3.3Å; Q137-T140 PolarHBondContact O-N 3.2Å; T140-F142 VanDerWaalsContact C-N 3.33Å; T140-F142 PolarHBondContact O-N 3.32Å; T140-L143 PolarHBondContact O-N 3.05Å; T140-R144 HydrophobicContact CG2-CG 4.27Å; T140-R144 WeakPolarHBondContact O-CB 3.37Å; T140-R144 VanDerWaalsContact O-CG 3.31Å; T140-R144 WeakPolarHBondContact O-CG 3.38Å; T140-R144 PolarHBondContact O-N 2.65Å |
| 141 | N | 71.8 | Confident | 70.9 | Confident | 5 Ų | 5 | 74.8 Ų | 74.8 | 3% | 0.027 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -60.9 | -42.9 | 174.6 | -70.6 | -2.1 | 0 | 0 | 0 | 111.3 | Q137 I138 R144 K145 Y211 | Q137-N141 WeakPolarHBondContact O-CB 3.39Å; Q137-N141 PolarHBondContact O-N 3.16Å; Q137-N141 PolarHBondContact O-OD1 2.95Å; I138-N141 PolarHBondContact O-N 3.03Å; N141-R144 PolarHBondContact O-N 3.12Å; N141-K145 PolarHBondContact O-N 3.3Å; N141-Y211 WeakPolarHBondContact O-CE2 3.43Å |
| 142 | F | 76.6 | Confident | 70.4 | Confident | 113 Ų | 113 | 77 Ų | 77 | 50% | 0.496 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64.2 | -41.3 | 177.9 | -174.9 | -95.4 | 0 | 0 | 0 | 113 | I138 R139 T140 K145 | I138-F142 WeakPolarHBondContact O-CB 3.39Å; I138-F142 PolarHBondContact O-N 3.47Å; R139-F142 PolarHBondContact O-N 3Å; T140-F142 VanDerWaalsContact C-N 3.33Å; T140-F142 PolarHBondContact O-N 3.32Å; F142-K145 WeakPolarHBondContact O-CD 3.46Å; F142-K145 WeakPolarHBondContact O-CE 3.42Å |
| 143 | L | 74.3 | Confident | 70 | Confident | 122 Ų | 122 | 76.2 Ų | 76.2 | 64% | 0.639 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -70.3 | -39.2 | 178.2 | -71.6 | 172.5 | 0 | 0 | 0 | 112.3 | R139 T140 | R139-L143 HydrophobicContact CG-CD1 4Å; R139-L143 HydrophobicContact CG-CG 4.45Å; R139-L143 WeakPolarHBondContact O-CB 3.4Å; R139-L143 VanDerWaalsContact O-CG 3.3Å; R139-L143 WeakPolarHBondContact O-CG 3.43Å; R139-L143 PolarHBondContact O-N 3Å; T140-L143 PolarHBondContact O-N 3.05Å |
| 144 | R | 71.2 | Confident | 69.7 | Low | 160 Ų | 160 | 80.1 Ų | 80.1 | 60% | 0.604 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -80.1 | -18.6 | -178.8 | -69.2 | -177.4 | -178.6 | -155.1 | -0.3 | 113.6 | T140 N141 S146 | T140-R144 HydrophobicContact CG2-CG 4.27Å; T140-R144 WeakPolarHBondContact O-CB 3.37Å; T140-R144 VanDerWaalsContact O-CG 3.31Å; T140-R144 WeakPolarHBondContact O-CG 3.38Å; T140-R144 PolarHBondContact O-N 2.65Å; N141-R144 PolarHBondContact O-N 3.12Å; R144-S146 PolarHBondContact O-N 3.21Å |
| 145 | K | 71.6 | Confident | 69.7 | Low | 114 Ų | 114 | 80.4 Ų | 80.4 | 50% | 0.496 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.2 | 25 | -172.8 | -59.2 | -68.2 | -176.3 | -176.9 | 0 | 113.3 | N141 F142 Y211 | N141-K145 PolarHBondContact O-N 3.3Å; F142-K145 WeakPolarHBondContact O-CD 3.46Å; F142-K145 WeakPolarHBondContact O-CE 3.42Å; K145-Y211 HydrophobicContact CB-CE1 4.34Å; K145-Y211 HydrophobicContact CD-CE1 3.72Å |
| 146 | S | 63.3 | Low | 69.4 | Low | 40 Ų | 40 | 78.1 Ų | 78.1 | 28% | 0.28 | 41% | 0.407 | S | S | . | . | trans | -148.7 | 141.5 | -175.7 | 175.4 | 0 | 0 | 0 | 0 | 109 | R144 Q148 | R144-S146 PolarHBondContact O-N 3.21Å; S146-Q148 PolarHBondContact OG-N 3.4Å | ||
| 147 | T | 64.1 | Low | 69.5 | Low | 17 Ų | 17 | 80 Ų | 80 | 10% | 0.104 | 41% | 0.412 | C | S | . | . | trans | -106.3 | 17.9 | 175.7 | 55.5 | 0 | 0 | 0 | 0 | 112.8 | G149 I150 F208 Y211 | T147-G149 PolarHBondContact O-N 3.04Å; T147-I150 PolarHBondContact O-N 3.32Å; T147-F208 VanDerWaalsContact CB-CD2 3.43Å; T147-F208 HydrophobicContact CG2-CB 4.28Å; T147-F208 HydrophobicContact CG2-CD2 3.69Å; T147-F208 HydrophobicContact CG2-CE2 4.39Å; T147-F208 HydrophobicContact CG2-CG 4.28Å; T147-F208 WeakPolarHBondContact OG1-CD2 3.26Å; T147-F208 VanDerWaalsContact OG1-CE2 3.32Å; T147-F208 WeakPolarHBondContact OG1-CE2 3.29Å; T147-Y211 HydrophobicContact CG2-CD2 3.93Å | ||
| 148 | Q | 58.2 | Low | 69.7 | Low | 158 Ų | 158 | 79.2 Ų | 79.2 | 74% | 0.738 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | 125.4 | 177.2 | -74.1 | -156.8 | -14.5 | 0 | 0 | 111.3 | S146 | S146-Q148 PolarHBondContact OG-N 3.4Š|
| 149 | G | 56.7 | Low | 69.7 | Low | 63 Ų | 63 | 79.6 Ų | 79.6 | 65% | 0.649 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 110.6 | -2.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | T147 | T147-G149 PolarHBondContact O-N 3.04Š|
| 150 | I | 61.1 | Low | 69.9 | Low | 44 Ų | 44 | 75.7 Ų | 75.7 | 23% | 0.226 | 40% | 0.404 | C | S | . | . | trans | -122.8 | 128.6 | -179.4 | -53.2 | 169.9 | 0 | 0 | 0 | 110.3 | Q137 T147 Y152 F155 | Q137-I150 HydrophobicContact CG-CD1 4.32Å; T147-I150 PolarHBondContact O-N 3.32Å; I150-Y152 PolarHBondContact O-N 2.92Å; I150-F155 HydrophobicContact CG2-CD2 3.82Å; I150-F155 HydrophobicContact CG2-CE2 3.57Å | ||
| 151 | S | 70.2 | Confident | 70 | Confident | 64 Ų | 64 | 74.5 Ų | 74.5 | 45% | 0.448 | 40% | 0.403 | S | S | . | . | trans | -79.5 | 116.1 | 174.5 | 178.6 | 0 | 0 | 0 | 0 | 110.9 | S153 L154 | S151-S153 VanDerWaalsContact C-N 3.27Å; S151-S153 PolarHBondContact O-N 3.26Å; S151-L154 PolarHBondContact O-N 3.17Å | ||
| 152 | Y | 68 | Low | 70.5 | Confident | 89 Ų | 89 | 75.6 Ų | 75.6 | 35% | 0.349 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -61.8 | -33.3 | 177.6 | -178.4 | -105.1 | 0 | 0 | 0 | 112.9 | I150 L154 F155 A156 F208 | I150-Y152 PolarHBondContact O-N 2.92Å; Y152-L154 VanDerWaalsContact C-N 3.27Å; Y152-L154 PolarHBondContact O-N 3.18Å; Y152-F155 PolarHBondContact O-N 2.72Å; Y152-F155 VanDerWaalsContact O-N 3.15Å; Y152-A156 HydrophobicContact CE1-CB 4.45Å; Y152-A156 PolarHBondContact O-N 2.9Å; Y152-F208 HydrophobicContact CD2-CB 4.15Å; Y152-F208 AromaticContact CD2-CD1 3.71Å; Y152-F208 HydrophobicContact CD2-CD1 3.71Å; Y152-F208 HydrophobicContact CD2-CD2 4.31Å; Y152-F208 HydrophobicContact CD2-CE1 4.21Å; Y152-F208 AromaticContact CD2-CG 3.79Å; Y152-F208 HydrophobicContact CD2-CG 3.79Å; Y152-F208 HydrophobicContact CE2-CB 4.42Å; Y152-F208 HydrophobicContact CE2-CD1 4.37Å; Y152-F208 HydrophobicContact CE2-CG 4.48Å; Y152-F208 HydrophobicContact CG-CD1 4.09Å; Y152-F208 HydrophobicContact CG-CE1 4.12Å; Y152-F208 HydrophobicContact CG-CG 4.49Å |
| 153 | S | 69.6 | Low | 70.4 | Confident | 78 Ų | 78 | 73.3 Ų | 73.3 | 55% | 0.545 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -61.6 | -34.4 | -179.7 | -56.4 | 0 | 0 | 0 | 0 | 112.8 | S151 L157 | S151-S153 VanDerWaalsContact C-N 3.27Å; S151-S153 PolarHBondContact O-N 3.26Å; S153-L157 WeakPolarHBondContact O-CB 3.49Å; S153-L157 WeakPolarHBondContact O-CG 3.49Å; S153-L157 PolarHBondContact O-N 2.99Å |
| 154 | L | 70.7 | Confident | 70.5 | Confident | 116 Ų | 116 | 72.4 Ų | 72.4 | 61% | 0.607 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -66.1 | -44.2 | 175.4 | -82.1 | 167.9 | 0 | 0 | 0 | 111.4 | S151 Y152 L157 V158 | S151-L154 PolarHBondContact O-N 3.17Å; Y152-L154 VanDerWaalsContact C-N 3.27Å; Y152-L154 PolarHBondContact O-N 3.18Å; L154-L157 PolarHBondContact O-N 2.91Å; L154-V158 VanDerWaalsContact O-CG2 3.3Å; L154-V158 WeakPolarHBondContact O-CG2 3.4Å; L154-V158 PolarHBondContact O-N 3.23Å |
| 155 | F | 72.1 | Confident | 70.7 | Confident | 29 Ų | 29 | 66.5 Ų | 66.5 | 13% | 0.127 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -63.2 | -44.3 | 175.9 | -91.2 | -87.7 | 0 | 0 | 0 | 111.9 | I150 Y152 L157 V158 M159 D201 I204 | I150-F155 HydrophobicContact CG2-CD2 3.82Å; I150-F155 HydrophobicContact CG2-CE2 3.57Å; Y152-F155 PolarHBondContact O-N 2.72Å; Y152-F155 VanDerWaalsContact O-N 3.15Å; F155-L157 VanDerWaalsContact C-N 3.33Å; F155-L157 PolarHBondContact O-N 3.25Å; F155-V158 PolarHBondContact O-N 3.4Å; F155-M159 WeakPolarHBondContact O-CB 3.48Å; F155-M159 VanDerWaalsContact O-CG 3.28Å; F155-M159 WeakPolarHBondContact O-CG 3.4Å; F155-M159 PolarHBondContact O-N 3.27Å; F155-D201 HydrophobicContact CD1-CB 4.18Å; F155-D201 WeakPolarHBondContact CE1-OD1 3.34Å; F155-I204 HydrophobicContact CD1-CD1 4.5Å; F155-I204 HydrophobicContact CD1-CG2 4.21Å; F155-I204 HydrophobicContact CE1-CB 4.33Å; F155-I204 HydrophobicContact CE1-CD1 3.55Å; F155-I204 HydrophobicContact CE1-CG2 3.99Å; F155-I204 HydrophobicContact CZ-CD1 3.96Å; F155-I204 HydrophobicContact CZ-CG2 4.18Å |
| 156 | A | 73 | Confident | 70.7 | Confident | 39 Ų | 39 | 61.6 Ų | 61.6 | 32% | 0.322 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -61.5 | -39.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y152 M159 L160 | Y152-A156 HydrophobicContact CE1-CB 4.45Å; Y152-A156 PolarHBondContact O-N 2.9Å; A156-M159 PolarHBondContact O-N 2.91Å; A156-L160 WeakPolarHBondContact O-CB 3.41Å; A156-L160 PolarHBondContact O-N 3.45Å |
| 157 | L | 74.6 | Confident | 71.2 | Confident | 115 Ų | 115 | 63.7 Ų | 63.7 | 60% | 0.602 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -66.7 | -41.4 | 175.6 | -78.2 | 165.8 | 0 | 0 | 0 | 112.3 | S153 L154 F155 L160 G161 | S153-L157 WeakPolarHBondContact O-CB 3.49Å; S153-L157 WeakPolarHBondContact O-CG 3.49Å; S153-L157 PolarHBondContact O-N 2.99Å; L154-L157 PolarHBondContact O-N 2.91Å; F155-L157 VanDerWaalsContact C-N 3.33Å; F155-L157 PolarHBondContact O-N 3.25Å; L157-L160 PolarHBondContact O-N 3.35Å; L157-G161 PolarHBondContact O-N 3.04Å |
| 158 | V | 74 | Confident | 71.5 | Confident | 39 Ų | 39 | 64.9 Ų | 64.9 | 24% | 0.236 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -64.6 | -42.7 | 175.9 | 171 | 0 | 0 | 0 | 0 | 111 | L154 F155 L160 G161 N162 | L154-V158 VanDerWaalsContact O-CG2 3.3Å; L154-V158 WeakPolarHBondContact O-CG2 3.4Å; L154-V158 PolarHBondContact O-N 3.23Å; F155-V158 PolarHBondContact O-N 3.4Å; V158-L160 PolarHBondContact O-N 2.95Å; V158-G161 PolarHBondContact O-N 3.08Å; V158-N162 PolarHBondContact O-N 2.94Å; V158-N162 PolarHBondContact O-ND2 3.44Å |
| 159 | M | 76.8 | Confident | 72 | Confident | 35 Ų | 35 | 57.7 Ų | 57.7 | 17% | 0.172 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61 | -43.9 | 174.5 | -71.6 | 177.2 | 69 | 0 | 0 | 112 | F155 A156 N162 T163 L198 D201 T202 S205 | F155-M159 WeakPolarHBondContact O-CB 3.48Å; F155-M159 VanDerWaalsContact O-CG 3.28Å; F155-M159 WeakPolarHBondContact O-CG 3.4Å; F155-M159 PolarHBondContact O-N 3.27Å; A156-M159 PolarHBondContact O-N 2.91Å; M159-N162 PolarHBondContact O-N 3.33Å; M159-T163 WeakPolarHBondContact O-CB 3.35Å; M159-T163 PolarHBondContact O-N 3.48Å; M159-T163 PolarHBondContact O-OG1 3.24Å; M159-L198 HydrophobicContact CB-CD1 3.92Å; M159-L198 HydrophobicContact CE-CD1 4.28Å; M159-L198 HydrophobicContact CG-CD1 4.14Å; M159-D201 HydrophobicContact CG-CB 3.54Å; M159-D201 HydrophobicContact SD-CB 3.94Å; M159-T202 WeakPolarHBondContact CE-OG1 3.43Å; M159-S205 PolarHBondContact SD-OG 3.19Å |
| 160 | L | 78.1 | Confident | 72.6 | Confident | 98 Ų | 98 | 60.5 Ų | 60.5 | 51% | 0.513 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.2 | -44.1 | 176 | -178.7 | 64.6 | 0 | 0 | 0 | 111.1 | A156 L157 V158 T163 L164 | A156-L160 WeakPolarHBondContact O-CB 3.41Å; A156-L160 PolarHBondContact O-N 3.45Å; L157-L160 PolarHBondContact O-N 3.35Å; V158-L160 PolarHBondContact O-N 2.95Å; L160-T163 PolarHBondContact O-N 2.96Å; L160-L164 HydrophobicContact CD1-CD1 4.32Å; L160-L164 HydrophobicContact CD1-CG 4.36Å; L160-L164 HydrophobicContact CG-CD1 4.06Å; L160-L164 WeakPolarHBondContact O-CB 3.25Å; L160-L164 VanDerWaalsContact O-CG 3.29Å; L160-L164 WeakPolarHBondContact O-CG 3.46Å; L160-L164 PolarHBondContact O-N 3.02Å |
| 161 | G | 74.7 | Confident | 72.8 | Confident | 27 Ų | 27 | 64.3 Ų | 64.3 | 28% | 0.278 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -59.5 | -48.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L157 V158 T163 L164 Y165 | L157-G161 PolarHBondContact O-N 3.04Å; V158-G161 PolarHBondContact O-N 3.08Å; G161-T163 VanDerWaalsContact C-N 3.3Å; G161-T163 PolarHBondContact O-N 3.49Å; G161-L164 PolarHBondContact O-N 3.41Å; G161-Y165 WeakPolarHBondContact O-CB 3.49Å; G161-Y165 PolarHBondContact O-N 3.28Å |
| 162 | N | 81 | Confident | 72.5 | Confident | 27 Ų | 27 | 64.6 Ų | 64.6 | 14% | 0.144 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.4 | -36.5 | 177.2 | -74.2 | -31.6 | 0 | 0 | 0 | 112.2 | V158 M159 G166 S194 L198 | V158-N162 PolarHBondContact O-N 2.94Å; V158-N162 PolarHBondContact O-ND2 3.44Å; M159-N162 PolarHBondContact O-N 3.33Å; N162-G166 PolarHBondContact O-N 2.72Å; N162-S194 WeakPolarHBondContact CB-OG 3.45Å; N162-S194 PolarHBondContact O-OG 2.9Å; N162-S194 VanDerWaalsContact O-OG 3.07Å; N162-L198 HydrophobicContact CB-CB 4.44Å; N162-L198 HydrophobicContact CB-CD1 4.49Å |
| 163 | T | 74.6 | Confident | 72 | Confident | 66 Ų | 66 | 67 Ų | 67 | 41% | 0.405 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -66.5 | -46.5 | 175.6 | -54.8 | 0 | 0 | 0 | 0 | 111.2 | M159 L160 G161 Y165 G166 L167 | M159-T163 WeakPolarHBondContact O-CB 3.35Å; M159-T163 PolarHBondContact O-N 3.48Å; M159-T163 PolarHBondContact O-OG1 3.24Å; L160-T163 PolarHBondContact O-N 2.96Å; G161-T163 VanDerWaalsContact C-N 3.3Å; G161-T163 PolarHBondContact O-N 3.49Å; T163-Y165 VanDerWaalsContact C-N 3.34Å; T163-Y165 PolarHBondContact O-N 3.46Å; T163-G166 PolarHBondContact O-N 3.27Å; T163-L167 VanDerWaalsContact O-CB 3.26Å; T163-L167 WeakPolarHBondContact O-CB 3.39Å; T163-L167 PolarHBondContact O-N 3.24Å |
| 164 | L | 75.9 | Confident | 71.4 | Confident | 102 Ų | 102 | 65.3 Ų | 65.3 | 53% | 0.534 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.5 | -38.5 | 177.4 | -71.1 | 171.9 | 0 | 0 | 0 | 111.7 | L160 G161 S168 | L160-L164 HydrophobicContact CD1-CD1 4.32Å; L160-L164 HydrophobicContact CD1-CG 4.36Å; L160-L164 HydrophobicContact CG-CD1 4.06Å; L160-L164 WeakPolarHBondContact O-CB 3.25Å; L160-L164 VanDerWaalsContact O-CG 3.29Å; L160-L164 WeakPolarHBondContact O-CG 3.46Å; L160-L164 PolarHBondContact O-N 3.02Å; G161-L164 PolarHBondContact O-N 3.41Å; L164-S168 WeakPolarHBondContact O-CB 3.31Å; L164-S168 PolarHBondContact O-N 2.82Å |
| 165 | Y | 76.3 | Confident | 70.5 | Confident | 36 Ų | 36 | 66.1 Ų | 66.1 | 14% | 0.141 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -64.2 | -51.2 | 174.1 | 175.1 | -103.9 | 0 | 0 | 0 | 111.6 | Q33 G161 T163 L167 S168 V169 W190 | Q33-Y165 HydrophobicContact CB-CE2 4.24Å; Q33-Y165 VanDerWaalsContact CD-OH 3.32Å; Q33-Y165 HydrophobicContact CG-CE2 4.19Å; Q33-Y165 PolarHBondContact OE1-OH 2.87Å; G161-Y165 WeakPolarHBondContact O-CB 3.49Å; G161-Y165 PolarHBondContact O-N 3.28Å; T163-Y165 VanDerWaalsContact C-N 3.34Å; T163-Y165 PolarHBondContact O-N 3.46Å; Y165-L167 VanDerWaalsContact C-N 3.26Å; Y165-L167 PolarHBondContact O-N 3.13Å; Y165-S168 WeakPolarHBondContact O-CB 3.32Å; Y165-S168 PolarHBondContact O-N 2.96Å; Y165-S168 PolarHBondContact O-OG 3.42Å; Y165-V169 HydrophobicContact CD2-CG2 4.48Å; Y165-V169 HydrophobicContact CE1-CG2 4.14Å; Y165-V169 HydrophobicContact CE2-CG2 3.99Å; Y165-V169 PolarHBondContact O-N 2.91Å; Y165-W190 HydrophobicContact CE1-CB 4.21Å; Y165-W190 WeakPolarHBondContact OH-CB 3.38Å |
| 166 | G | 72.2 | Confident | 69.1 | Low | 12 Ų | 12 | 74.8 Ų | 74.8 | 12% | 0.124 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -57.5 | -41.6 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | N162 T163 V169 L170 | N162-G166 PolarHBondContact O-N 2.72Å; T163-G166 PolarHBondContact O-N 3.27Å; G166-V169 PolarHBondContact O-N 3.49Å; G166-L170 VanDerWaalsContact O-CG 3.29Å; G166-L170 WeakPolarHBondContact O-CG 3.44Å; G166-L170 PolarHBondContact O-N 3.38Å; G166-L170 VanDerWaalsContact O-N 3.08Å |
| 167 | L | 72.7 | Confident | 68.1 | Low | 84 Ų | 84 | 75.6 Ų | 75.6 | 44% | 0.44 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -66.1 | -39.2 | 175.1 | -172.1 | 62.8 | 0 | 0 | 0 | 112.1 | T163 Y165 V169 L170 L171 | T163-L167 VanDerWaalsContact O-CB 3.26Å; T163-L167 WeakPolarHBondContact O-CB 3.39Å; T163-L167 PolarHBondContact O-N 3.24Å; Y165-L167 VanDerWaalsContact C-N 3.26Å; Y165-L167 PolarHBondContact O-N 3.13Å; L167-V169 VanDerWaalsContact C-N 3.31Å; L167-V169 PolarHBondContact O-N 2.86Å; L167-L170 PolarHBondContact O-N 3.38Å; L167-L171 HydrophobicContact CD1-CD1 3.85Å; L167-L171 HydrophobicContact CD1-CD2 4.37Å; L167-L171 HydrophobicContact CD1-CG 3.83Å; L167-L171 HydrophobicContact CD2-CD1 4.13Å; L167-L171 HydrophobicContact CG-CD1 3.61Å; L167-L171 HydrophobicContact CG-CG 4Å; L167-L171 VanDerWaalsContact O-CB 3.29Å; L167-L171 WeakPolarHBondContact O-CB 3.25Å; L167-L171 VanDerWaalsContact O-CG 3.26Å; L167-L171 WeakPolarHBondContact O-CG 3.43Å; L167-L171 PolarHBondContact O-N 2.66Å |
| 168 | S | 70.8 | Confident | 67 | Low | 42 Ų | 42 | 73.4 Ų | 73.4 | 29% | 0.294 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.6 | -36 | 177.3 | 76 | 0 | 0 | 0 | 0 | 112.8 | L164 Y165 K172 | L164-S168 WeakPolarHBondContact O-CB 3.31Å; L164-S168 PolarHBondContact O-N 2.82Å; Y165-S168 WeakPolarHBondContact O-CB 3.32Å; Y165-S168 PolarHBondContact O-N 2.96Å; Y165-S168 PolarHBondContact O-OG 3.42Å; S168-K172 WeakPolarHBondContact O-CB 3.37Å; S168-K172 PolarHBondContact O-N 2.85Å |
| 169 | V | 70 | Confident | 66.1 | Low | 6 Ų | 6 | 75.9 Ų | 75.9 | 4% | 0.036 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -71.3 | -38.5 | 176 | 174.8 | 0 | 0 | 0 | 0 | 110.7 | Y165 G166 L167 H187 L191 | Y165-V169 HydrophobicContact CD2-CG2 4.48Å; Y165-V169 HydrophobicContact CE1-CG2 4.14Å; Y165-V169 HydrophobicContact CE2-CG2 3.99Å; Y165-V169 PolarHBondContact O-N 2.91Å; G166-V169 PolarHBondContact O-N 3.49Å; L167-V169 VanDerWaalsContact C-N 3.31Å; L167-V169 PolarHBondContact O-N 2.86Å; V169-H187 HydrophobicContact CG1-CB 4.22Å; V169-L191 HydrophobicContact CG1-CD1 4.42Å |
| 170 | L | 68.6 | Low | 65.2 | Low | 123 Ų | 123 | 81.2 Ų | 81.2 | 64% | 0.644 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -73.4 | -34.3 | 178 | -71.1 | 171.2 | 0 | 0 | 0 | 113.6 | G166 L167 | G166-L170 VanDerWaalsContact O-CG 3.29Å; G166-L170 WeakPolarHBondContact O-CG 3.44Å; G166-L170 PolarHBondContact O-N 3.38Å; G166-L170 VanDerWaalsContact O-N 3.08Å; L167-L170 PolarHBondContact O-N 3.38Å |
| 171 | L | 64.8 | Low | 64.3 | Low | 123 Ų | 123 | 78.3 Ų | 78.3 | 64% | 0.644 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -85 | -16.1 | -178.5 | -70.3 | 179.8 | 0 | 0 | 0 | 113.3 | L167 N173 | L167-L171 HydrophobicContact CD1-CD1 3.85Å; L167-L171 HydrophobicContact CD1-CD2 4.37Å; L167-L171 HydrophobicContact CD1-CG 3.83Å; L167-L171 HydrophobicContact CD2-CD1 4.13Å; L167-L171 HydrophobicContact CG-CD1 3.61Å; L167-L171 HydrophobicContact CG-CG 4Å; L167-L171 VanDerWaalsContact O-CB 3.29Å; L167-L171 WeakPolarHBondContact O-CB 3.25Å; L167-L171 VanDerWaalsContact O-CG 3.26Å; L167-L171 WeakPolarHBondContact O-CG 3.43Å; L167-L171 PolarHBondContact O-N 2.66Å; L171-N173 PolarHBondContact O-N 3.19Å |
| 172 | K | 64.8 | Low | 63.6 | Low | 71 Ų | 71 | 79 Ų | 79 | 31% | 0.309 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -74.7 | 113 | 176.8 | -177.2 | 166.3 | 169.2 | -168.3 | 0 | 109.4 | L30 S168 Y183 | L30-K172 HydrophobicContact CD2-CD 3.43Å; L30-K172 VanDerWaalsContact CD2-CD 3.43Å; L30-K172 HydrophobicContact CG-CD 4.35Å; S168-K172 WeakPolarHBondContact O-CB 3.37Å; S168-K172 PolarHBondContact O-N 2.85Å; K172-Y183 VanDerWaalsContact CD-OH 3.29Å; K172-Y183 WeakPolarHBondContact CD-OH 3.41Å |
| 173 | N | 56.8 | Low | 62.9 | Low | 140 Ų | 140 | 78.5 Ų | 78.5 | 75% | 0.749 | 44% | 0.436 | S | S | * | . | P | Polyproline II helix | trans | -61.3 | 136.9 | 170.8 | -71.3 | -45.8 | 0 | 0 | 0 | 109.7 | L171 | L171-N173 PolarHBondContact O-N 3.19Š|
| 174 | P | 58.1 | Low | 62.4 | Low | 41 Ų | 41 | 78.9 Ų | 78.9 | 27% | 0.266 | 44% | 0.435 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 143.4 | 175.8 | 26.4 | -33.3 | 0 | 0 | 0 | 110.4 | E180 | P174-E180 HydrophobicContact CG-CG 4.2Š|
| 175 | E | 50.2 | Low | 62 | Low | 133 Ų | 133 | 78.3 Ų | 78.3 | 62% | 0.621 | 43% | 0.432 | S | S | * | . | P | Polyproline II helix | trans | -64.3 | 148.8 | 177 | -68.8 | -178.1 | -175.3 | 0 | 0 | 111 | G177 Q178 | E175-G177 PolarHBondContact O-N 3.41Å; E175-Q178 PolarHBondContact O-N 3.49Å; E175-Q178 VanDerWaalsContact O-N 3.16Å |
| 176 | E | 43.5 | Very low | 61.5 | Low | 211 Ų | 211 | 78.2 Ų | 78.2 | 99% | 0.986 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | 108.5 | -176.8 | -62.1 | -165.5 | 165.8 | 0 | 0 | 110.9 | ||
| 177 | G | 51.6 | Low | 61.4 | Low | 56 Ų | 56 | 78.2 Ų | 78.2 | 58% | 0.577 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 112.2 | -1.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | E175 | E175-G177 PolarHBondContact O-N 3.41Š|
| 178 | Q | 51.6 | Low | 61.5 | Low | 70 Ų | 70 | 76.9 Ų | 76.9 | 33% | 0.327 | 42% | 0.423 | S | S | . | . | trans | -102.9 | 130.6 | 171.3 | -72.1 | -175.3 | -15.4 | 0 | 0 | 111.7 | E175 | E175-Q178 PolarHBondContact O-N 3.49Å; E175-Q178 VanDerWaalsContact O-N 3.16Å | ||
| 179 | S | 55.8 | Low | 61.7 | Low | 91 Ų | 91 | 75.2 Ų | 75.2 | 64% | 0.636 | 41% | 0.411 | S | S | * | . | trans | -60.8 | 135.8 | 169.9 | 176.8 | 0 | 0 | 0 | 0 | 109.8 | G181 S182 Y183 | S179-G181 PolarHBondContact O-N 2.76Å; S179-S182 PolarHBondContact O-N 2.97Å; S179-Y183 PolarHBondContact O-N 3.29Å | ||
| 180 | E | 57.9 | Low | 61.8 | Low | 146 Ų | 146 | 75.5 Ų | 75.5 | 68% | 0.682 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -48.4 | -36.2 | -177.9 | -56.4 | -168.7 | 142.8 | 0 | 0 | 112 | P174 L184 | P174-E180 HydrophobicContact CG-CG 4.2Å; E180-L184 PolarHBondContact O-N 3.31Å |
| 181 | G | 58.1 | Low | 62.2 | Low | 37 Ų | 37 | 70.9 Ų | 70.9 | 38% | 0.381 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -67.8 | -40.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114 | S179 Y183 L184 L185 | S179-G181 PolarHBondContact O-N 2.76Å; G181-Y183 VanDerWaalsContact C-N 3.32Å; G181-Y183 PolarHBondContact O-N 3.43Å; G181-L184 PolarHBondContact O-N 2.89Å; G181-L185 WeakPolarHBondContact O-CB 3.4Å; G181-L185 WeakPolarHBondContact O-CG 3.31Å; G181-L185 PolarHBondContact O-N 3.36Å |
| 182 | S | 61.5 | Low | 62.9 | Low | 41 Ų | 41 | 69 Ų | 69 | 29% | 0.287 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -66.3 | -37.3 | -178.9 | -167.5 | 0 | 0 | 0 | 0 | 111.9 | S179 H186 | S179-S182 PolarHBondContact O-N 2.97Å; S182-H186 PolarHBondContact O-N 3.15Å; S182-H186 VanDerWaalsContact O-N 3.11Å |
| 183 | Y | 64.3 | Low | 63.6 | Low | 18 Ų | 18 | 65.9 Ų | 65.9 | 7% | 0.071 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -65.2 | -48.1 | 174.5 | 174.9 | -99 | 0 | 0 | 0 | 111.1 | K172 S179 G181 L185 H186 H187 | K172-Y183 VanDerWaalsContact CD-OH 3.29Å; K172-Y183 WeakPolarHBondContact CD-OH 3.41Å; S179-Y183 PolarHBondContact O-N 3.29Å; G181-Y183 VanDerWaalsContact C-N 3.32Å; G181-Y183 PolarHBondContact O-N 3.43Å; Y183-L185 VanDerWaalsContact C-N 3.29Å; Y183-L185 PolarHBondContact O-N 3Å; Y183-H186 WeakPolarHBondContact O-CB 3.28Å; Y183-H186 PolarHBondContact O-N 3.44Å; Y183-H186 VanDerWaalsContact O-N 3.14Å; Y183-H187 AromaticContact CD2-CD2 3.9Å; Y183-H187 AromaticContact CD2-NE2 3.72Å; Y183-H187 AromaticContact CE1-CD2 3.79Å; Y183-H187 AromaticContact CE2-CD2 3.54Å; Y183-H187 AromaticContact CE2-NE2 3.13Å; Y183-H187 WeakPolarHBondContact CE2-NE2 3.29Å; Y183-H187 AromaticContact CZ-CD2 3.46Å; Y183-H187 VanDerWaalsContact CZ-CD2 3.46Å; Y183-H187 AromaticContact CZ-NE2 3.41Å; Y183-H187 PolarHBondContact O-CD2 3.08Å; Y183-H187 PolarHBondContact O-N 3.21Å |
| 184 | L | 65.4 | Low | 64.8 | Low | 74 Ų | 74 | 59.7 Ų | 59.7 | 39% | 0.387 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.5 | -38.9 | 177.7 | -131.1 | 127.6 | 0 | 0 | 0 | 111.8 | E180 G181 H187 L188 L191 | E180-L184 PolarHBondContact O-N 3.31Å; G181-L184 PolarHBondContact O-N 2.89Å; L184-H187 CarbonylContact O-C 3.54Å; L184-H187 PolarHBondContact O-N 3.44Å; L184-L188 HydrophobicContact CD2-CD2 4.44Å; L184-L188 WeakPolarHBondContact O-CG 3.33Å; L184-L188 PolarHBondContact O-N 3.07Å; L184-L191 HydrophobicContact CD2-CD2 3.91Å |
| 185 | L | 66.6 | Low | 65.9 | Low | 90 Ų | 90 | 62.6 Ų | 62.6 | 47% | 0.471 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.1 | -40.2 | 174.7 | -72.7 | 177.1 | 0 | 0 | 0 | 112.2 | F120 G181 Y183 H187 L188 | F120-L185 WeakPolarHBondContact CE2-O 3.5Å; G181-L185 WeakPolarHBondContact O-CB 3.4Å; G181-L185 WeakPolarHBondContact O-CG 3.31Å; G181-L185 PolarHBondContact O-N 3.36Å; Y183-L185 VanDerWaalsContact C-N 3.29Å; Y183-L185 PolarHBondContact O-N 3Å; L185-H187 PolarHBondContact O-N 3.34Å; L185-L188 HydrophobicContact CD2-CD1 3.39Å; L185-L188 HydrophobicContact CD2-CG 4.26Å; L185-L188 PolarHBondContact O-N 3.13Å |
| 186 | H | 66.8 | Low | 67.5 | Low | 33 Ų | 33 | 57 Ų | 57 | 15% | 0.153 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.6 | -30.9 | 175.3 | -109.5 | 76.5 | 0 | 0 | 0 | 112.8 | Q29 F112 E116 S182 Y183 W190 | Q29-H186 PolarHBondContact NE2-O 3.48Å; F112-H186 AromaticContact CD1-CE1 3.54Å; F112-H186 AromaticContact CD1-ND1 3.98Å; F112-H186 AromaticContact CE1-CE1 3.4Å; F112-H186 WeakPolarHBondContact CE1-CE1 3.42Å; F112-H186 AromaticContact CE1-ND1 3.34Å; F112-H186 VanDerWaalsContact CE1-ND1 3.34Å; F112-H186 WeakPolarHBondContact CE1-ND1 3.42Å; E116-H186 IonicContact OE1-CD2 3.9Å; E116-H186 IonicContact OE1-CE1 3.76Å; E116-H186 IonicContact OE1-NE2 2.88Å; E116-H186 PolarHBondContact OE1-NE2 3.35Å; E116-H186 IonicContact OE2-NE2 3.8Å; S182-H186 PolarHBondContact O-N 3.15Å; S182-H186 VanDerWaalsContact O-N 3.11Å; Y183-H186 WeakPolarHBondContact O-CB 3.28Å; Y183-H186 PolarHBondContact O-N 3.44Å; Y183-H186 VanDerWaalsContact O-N 3.14Å; H186-W190 WeakPolarHBondContact O-CZ3 3.49Å |
| 187 | H | 69.3 | Low | 69.4 | Low | 13 Ų | 13 | 47.4 Ų | 47.4 | 6% | 0.06 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -98.5 | -2.7 | -178.7 | -62.6 | -63.8 | 0 | 0 | 0 | 114.2 | Q29 L30 V169 Y183 L184 L185 W190 L191 | Q29-H187 VanDerWaalsContact CD-CE1 3.47Å; Q29-H187 PolarHBondContact NE2-CE1 3.35Å; Q29-H187 PolarHBondContact NE2-ND1 3.35Å; Q29-H187 PolarHBondContact OE1-CE1 3.01Å; Q29-H187 PolarHBondContact OE1-ND1 3.31Å; L30-H187 VanDerWaalsContact CD1-CE1 3.43Å; L30-H187 WeakPolarHBondContact CD1-CE1 3.33Å; V169-H187 HydrophobicContact CG1-CB 4.22Å; Y183-H187 AromaticContact CD2-CD2 3.9Å; Y183-H187 AromaticContact CD2-NE2 3.72Å; Y183-H187 AromaticContact CE1-CD2 3.79Å; Y183-H187 AromaticContact CE2-CD2 3.54Å; Y183-H187 AromaticContact CE2-NE2 3.13Å; Y183-H187 WeakPolarHBondContact CE2-NE2 3.29Å; Y183-H187 AromaticContact CZ-CD2 3.46Å; Y183-H187 VanDerWaalsContact CZ-CD2 3.46Å; Y183-H187 AromaticContact CZ-NE2 3.41Å; Y183-H187 PolarHBondContact O-CD2 3.08Å; Y183-H187 PolarHBondContact O-N 3.21Å; L184-H187 CarbonylContact O-C 3.54Å; L184-H187 PolarHBondContact O-N 3.44Å; L185-H187 PolarHBondContact O-N 3.34Å; H187-W190 PolarHBondContact O-N 2.88Å; H187-L191 PolarHBondContact O-N 2.93Å |
| 188 | L | 75.1 | Confident | 71 | Confident | 56 Ų | 56 | 46.6 Ų | 46.6 | 29% | 0.293 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -53.1 | -47.3 | -171.9 | -95 | -173.5 | 0 | 0 | 0 | 115 | F120 L184 L185 W190 L191 V192 | F120-L188 HydrophobicContact CE2-CB 4.48Å; L184-L188 HydrophobicContact CD2-CD2 4.44Å; L184-L188 WeakPolarHBondContact O-CG 3.33Å; L184-L188 PolarHBondContact O-N 3.07Å; L185-L188 HydrophobicContact CD2-CD1 3.39Å; L185-L188 HydrophobicContact CD2-CG 4.26Å; L185-L188 PolarHBondContact O-N 3.13Å; L188-W190 VanDerWaalsContact C-N 3.26Å; L188-W190 PolarHBondContact O-N 2.62Å; L188-L191 PolarHBondContact O-N 3.37Å; L188-V192 HydrophobicContact CD2-CG2 4.43Å; L188-V192 WeakPolarHBondContact O-CB 3.5Å; L188-V192 VanDerWaalsContact O-CG2 3.25Å; L188-V192 WeakPolarHBondContact O-CG2 3.39Å; L188-V192 PolarHBondContact O-N 2.89Å |
| 189 | P | 74.9 | Confident | 72.6 | Confident | 7 Ų | 7 | 48.4 Ų | 48.4 | 5% | 0.045 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.8 | -40.4 | -176.3 | -27.5 | 36.7 | 0 | 0 | 0 | 112.5 | F120 S124 S127 G193 | F120-P189 HydrophobicContact CD1-CG 3.99Å; F120-P189 HydrophobicContact CD2-CG 3.36Å; F120-P189 HydrophobicContact CE1-CG 3.85Å; F120-P189 HydrophobicContact CE2-CG 3.23Å; F120-P189 HydrophobicContact CG-CG 3.76Å; F120-P189 HydrophobicContact CZ-CG 3.47Å; F120-P189 VanDerWaalsContact CZ-CG 3.47Å; S124-P189 WeakPolarHBondContact OG-CB 3.47Å; S124-P189 WeakPolarHBondContact OG-CG 3.46Å; S127-P189 WeakPolarHBondContact CB-O 3.46Å; S127-P189 PolarHBondContact OG-O 3.32Å; P189-G193 PolarHBondContact O-N 2.73Å |
| 190 | W | 71.9 | Confident | 73.9 | Confident | 11 Ų | 11 | 45.3 Ų | 45.3 | 4% | 0.042 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -78.7 | -34 | -179.7 | -62.5 | -82.8 | 0 | 0 | 0 | 112.1 | N20 A27 Q29 Q33 Y165 H186 H187 L188 G193 S194 | N20-W190 PolarHBondContact OD1-NE1 3.09Å; A27-W190 HydrophobicContact CB-CH2 3.64Å; A27-W190 HydrophobicContact CB-CZ2 4.48Å; A27-W190 HydrophobicContact CB-CZ3 4.36Å; Q29-W190 HydrophobicContact CG-CE3 4.47Å; Q29-W190 HydrophobicContact CG-CH2 4.02Å; Q29-W190 HydrophobicContact CG-CZ2 4.3Å; Q29-W190 HydrophobicContact CG-CZ3 4.11Å; Q29-W190 VanDerWaalsContact NE2-CZ3 3.35Å; Q33-W190 VanDerWaalsContact NE2-CD2 3.26Å; Y165-W190 HydrophobicContact CE1-CB 4.21Å; Y165-W190 WeakPolarHBondContact OH-CB 3.38Å; H186-W190 WeakPolarHBondContact O-CZ3 3.49Å; H187-W190 PolarHBondContact O-N 2.88Å; L188-W190 VanDerWaalsContact C-N 3.26Å; L188-W190 PolarHBondContact O-N 2.62Å; W190-G193 PolarHBondContact O-N 2.72Å; W190-S194 VanDerWaalsContact O-CB 3.28Å; W190-S194 WeakPolarHBondContact O-CB 3.47Å; W190-S194 PolarHBondContact O-N 2.9Å |
| 191 | L | 77.9 | Confident | 75.2 | Confident | 27 Ų | 27 | 38.3 Ų | 38.3 | 14% | 0.141 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.7 | -46.3 | 173 | -172.5 | 66.2 | 0 | 0 | 0 | 111.3 | V169 L184 H187 L188 S194 L195 | V169-L191 HydrophobicContact CG1-CD1 4.42Å; L184-L191 HydrophobicContact CD2-CD2 3.91Å; H187-L191 PolarHBondContact O-N 2.93Å; L188-L191 PolarHBondContact O-N 3.37Å; L191-S194 PolarHBondContact O-N 2.87Å; L191-L195 VanDerWaalsContact O-CB 3.24Å; L191-L195 WeakPolarHBondContact O-CB 3.42Å; L191-L195 PolarHBondContact O-N 3.3Å |
| 192 | V | 79.8 | Confident | 76.4 | Confident | 82 Ų | 82 | 39.2 Ų | 39.2 | 50% | 0.497 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -62.7 | -43.2 | 175.7 | 171.4 | 0 | 0 | 0 | 0 | 110.6 | L188 G196 | L188-V192 HydrophobicContact CD2-CG2 4.43Å; L188-V192 WeakPolarHBondContact O-CB 3.5Å; L188-V192 VanDerWaalsContact O-CG2 3.25Å; L188-V192 WeakPolarHBondContact O-CG2 3.39Å; L188-V192 PolarHBondContact O-N 2.89Å; V192-G196 WeakPolarHBondContact O-CA 3.38Å; V192-G196 PolarHBondContact O-N 3.2Å |
| 193 | G | 79 | Confident | 77.5 | Confident | 6 Ų | 6 | 41 Ų | 41 | 6% | 0.062 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.1 | -52.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | S127 P189 W190 V197 | S127-G193 WeakPolarHBondContact OG-CA 3.19Å; P189-G193 PolarHBondContact O-N 2.73Å; W190-G193 PolarHBondContact O-N 2.72Å; G193-V197 VanDerWaalsContact O-CB 3.31Å; G193-V197 WeakPolarHBondContact O-CB 2.97Å; G193-V197 WeakPolarHBondContact O-CG2 3.29Å; G193-V197 PolarHBondContact O-N 3.41Å |
| 194 | S | 81.2 | Confident | 78.4 | Confident | 10 Ų | 10 | 40.4 Ų | 40.4 | 7% | 0.07 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62 | -51.2 | -179.7 | 178 | 0 | 0 | 0 | 0 | 112.5 | N162 W190 L191 G196 V197 L198 | N162-S194 WeakPolarHBondContact CB-OG 3.45Å; N162-S194 PolarHBondContact O-OG 2.9Å; N162-S194 VanDerWaalsContact O-OG 3.07Å; W190-S194 VanDerWaalsContact O-CB 3.28Å; W190-S194 WeakPolarHBondContact O-CB 3.47Å; W190-S194 PolarHBondContact O-N 2.9Å; L191-S194 PolarHBondContact O-N 2.87Å; S194-G196 PolarHBondContact O-N 3.49Å; S194-V197 PolarHBondContact O-N 3.41Å; S194-L198 VanDerWaalsContact O-CB 3.29Å; S194-L198 WeakPolarHBondContact O-CB 3.46Å; S194-L198 PolarHBondContact O-N 3.07Å |
| 195 | L | 82.1 | Confident | 79.3 | Confident | 103 Ų | 103 | 37.3 Ų | 37.3 | 54% | 0.539 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -66.6 | -40.3 | -178.1 | -171.7 | 118.1 | 0 | 0 | 0 | 111.6 | L191 L198 L199 | L191-L195 VanDerWaalsContact O-CB 3.24Å; L191-L195 WeakPolarHBondContact O-CB 3.42Å; L191-L195 PolarHBondContact O-N 3.3Å; L195-L198 WeakPolarHBondContact O-CB 3.42Å; L195-L198 PolarHBondContact O-N 2.7Å; L195-L199 HydrophobicContact CD2-CD1 4.31Å; L195-L199 WeakPolarHBondContact O-CG 3.17Å; L195-L199 PolarHBondContact O-N 3.19Å |
| 196 | G | 83.1 | Confident | 80.1 | Confident | 14 Ų | 14 | 37.8 Ų | 37.8 | 14% | 0.144 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.5 | -42.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | L131 V192 S194 L199 L200 | L131-G196 VanDerWaalsContact CD2-C 3.47Å; V192-G196 WeakPolarHBondContact O-CA 3.38Å; V192-G196 PolarHBondContact O-N 3.2Å; S194-G196 PolarHBondContact O-N 3.49Å; G196-L199 PolarHBondContact O-N 3.34Å; G196-L200 WeakPolarHBondContact O-CG 3.42Å; G196-L200 PolarHBondContact O-N 2.88Å; G196-L200 VanDerWaalsContact O-N 3.13Å |
| 197 | V | 83.9 | Confident | 80.8 | Confident | 11 Ų | 11 | 37.2 Ų | 37.2 | 7% | 0.067 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64 | -41.1 | 173.3 | 171.6 | 0 | 0 | 0 | 0 | 110.8 | L131 G193 S194 L199 L200 D201 | L131-V197 HydrophobicContact CD2-CG2 4.5Å; G193-V197 VanDerWaalsContact O-CB 3.31Å; G193-V197 WeakPolarHBondContact O-CB 2.97Å; G193-V197 WeakPolarHBondContact O-CG2 3.29Å; G193-V197 PolarHBondContact O-N 3.41Å; S194-V197 PolarHBondContact O-N 3.41Å; V197-L199 VanDerWaalsContact C-N 3.32Å; V197-L199 PolarHBondContact O-N 3.3Å; V197-L200 PolarHBondContact O-N 2.92Å; V197-D201 WeakPolarHBondContact CG1-OD2 3.37Å; V197-D201 WeakPolarHBondContact O-CB 3.44Å; V197-D201 VanDerWaalsContact O-CG 3.28Å; V197-D201 PolarHBondContact O-N 3.22Å |
| 198 | L | 84.6 | Confident | 81.3 | Confident | 39 Ų | 39 | 38.2 Ų | 38.2 | 20% | 0.204 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.7 | -41.6 | 176.1 | -177 | 66.4 | 0 | 0 | 0 | 112.4 | M159 N162 S194 L195 T202 | M159-L198 HydrophobicContact CB-CD1 3.92Å; M159-L198 HydrophobicContact CE-CD1 4.28Å; M159-L198 HydrophobicContact CG-CD1 4.14Å; N162-L198 HydrophobicContact CB-CB 4.44Å; N162-L198 HydrophobicContact CB-CD1 4.49Å; S194-L198 VanDerWaalsContact O-CB 3.29Å; S194-L198 WeakPolarHBondContact O-CB 3.46Å; S194-L198 PolarHBondContact O-N 3.07Å; L195-L198 WeakPolarHBondContact O-CB 3.42Å; L195-L198 PolarHBondContact O-N 2.7Å; L198-T202 WeakPolarHBondContact O-CB 3.36Å; L198-T202 PolarHBondContact O-N 2.88Å; L198-T202 PolarHBondContact O-OG1 2.84Å |
| 199 | L | 86.3 | Confident | 81.6 | Confident | 107 Ų | 107 | 40.4 Ų | 40.4 | 56% | 0.56 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -62.5 | -47 | 174.6 | -77.4 | 170.4 | 0 | 0 | 0 | 111.7 | L195 G196 V197 T202 I203 | L195-L199 HydrophobicContact CD2-CD1 4.31Å; L195-L199 WeakPolarHBondContact O-CG 3.17Å; L195-L199 PolarHBondContact O-N 3.19Å; G196-L199 PolarHBondContact O-N 3.34Å; V197-L199 VanDerWaalsContact C-N 3.32Å; V197-L199 PolarHBondContact O-N 3.3Å; L199-T202 WeakPolarHBondContact O-CB 3.41Å; L199-T202 PolarHBondContact O-N 3.21Å; L199-I203 WeakPolarHBondContact O-CG1 3.35Å; L199-I203 PolarHBondContact O-N 3.3Å; L199-I203 VanDerWaalsContact O-N 3.15Å |
| 200 | L | 83.1 | Confident | 82 | Confident | 26 Ų | 26 | 44 Ų | 44 | 14% | 0.136 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65 | -41.1 | 178.9 | -64.9 | -178.3 | 0 | 0 | 0 | 112.1 | L131 R134 L135 I138 G196 V197 T202 I203 I204 | L131-L200 HydrophobicContact CD2-CD1 3.66Å; L131-L200 HydrophobicContact CD2-CG 4.38Å; L131-L200 WeakPolarHBondContact O-CD1 3.37Å; R134-L200 HydrophobicContact CB-CB 4.14Å; R134-L200 HydrophobicContact CB-CD1 3.75Å; R134-L200 HydrophobicContact CG-CD1 4.46Å; L135-L200 HydrophobicContact CD2-CD1 4.48Å; L135-L200 HydrophobicContact CD2-CD2 4.21Å; I138-L200 HydrophobicContact CD1-CB 4.21Å; I138-L200 HydrophobicContact CD1-CD2 3.99Å; G196-L200 WeakPolarHBondContact O-CG 3.42Å; G196-L200 PolarHBondContact O-N 2.88Å; G196-L200 VanDerWaalsContact O-N 3.13Å; V197-L200 PolarHBondContact O-N 2.92Å; L200-T202 VanDerWaalsContact C-N 3.28Å; L200-T202 PolarHBondContact O-N 2.67Å; L200-I203 HydrophobicContact CD2-CD1 4.33Å; L200-I203 WeakPolarHBondContact O-CB 3.25Å; L200-I203 PolarHBondContact O-N 3.18Å; L200-I203 VanDerWaalsContact O-N 3.16Å; L200-I204 WeakPolarHBondContact O-CG1 3.43Å; L200-I204 PolarHBondContact O-N 3.36Å |
| 201 | D | 84.3 | Confident | 82.3 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67 | -31.1 | 177.5 | -70.9 | -8.9 | 0 | 0 | 0 | 111.5 | R134 F155 M159 V197 I204 S205 | R134-D201 WeakPolarHBondContact CD-OD1 3.46Å; R134-D201 IonicContact NE-OD1 3.04Å; R134-D201 PolarHBondContact NE-OD1 2.82Å; F155-D201 HydrophobicContact CD1-CB 4.18Å; F155-D201 WeakPolarHBondContact CE1-OD1 3.34Å; M159-D201 HydrophobicContact CG-CB 3.54Å; M159-D201 HydrophobicContact SD-CB 3.94Å; V197-D201 WeakPolarHBondContact CG1-OD2 3.37Å; V197-D201 WeakPolarHBondContact O-CB 3.44Å; V197-D201 VanDerWaalsContact O-CG 3.28Å; V197-D201 PolarHBondContact O-N 3.22Å; D201-I204 PolarHBondContact O-N 2.98Å; D201-S205 WeakPolarHBondContact O-CB 3.4Å; D201-S205 PolarHBondContact O-N 2.81Å; D201-S205 PolarHBondContact O-OG 2.96Å |
| 202 | T | 84.3 | Confident | 82.1 | Confident | 56 Ų | 56 | 51.4 Ų | 51.4 | 34% | 0.344 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.1 | -42.7 | 170.6 | -57.2 | 0 | 0 | 0 | 0 | 111.4 | M159 L198 L199 L200 I204 S205 I206 | M159-T202 WeakPolarHBondContact CE-OG1 3.43Å; L198-T202 WeakPolarHBondContact O-CB 3.36Å; L198-T202 PolarHBondContact O-N 2.88Å; L198-T202 PolarHBondContact O-OG1 2.84Å; L199-T202 WeakPolarHBondContact O-CB 3.41Å; L199-T202 PolarHBondContact O-N 3.21Å; L200-T202 VanDerWaalsContact C-N 3.28Å; L200-T202 PolarHBondContact O-N 2.67Å; T202-I204 VanDerWaalsContact C-N 3.34Å; T202-I204 PolarHBondContact O-N 3.26Å; T202-S205 WeakPolarHBondContact O-CB 3.49Å; T202-S205 PolarHBondContact O-N 3.02Å; T202-I206 HydrophobicContact CG2-CD1 4.32Å; T202-I206 WeakPolarHBondContact O-CG1 3.13Å; T202-I206 PolarHBondContact O-N 3.04Å |
| 203 | I | 84.7 | Confident | 81.7 | Confident | 78 Ų | 78 | 57.2 Ų | 57.2 | 40% | 0.4 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.1 | -44.4 | 175.2 | -64.7 | 168 | 0 | 0 | 0 | 110.6 | I138 L199 L200 S205 I206 Q207 | I138-I203 HydrophobicContact CD1-CG2 4.43Å; I138-I203 HydrophobicContact CG2-CG2 4.32Å; L199-I203 WeakPolarHBondContact O-CG1 3.35Å; L199-I203 PolarHBondContact O-N 3.3Å; L199-I203 VanDerWaalsContact O-N 3.15Å; L200-I203 HydrophobicContact CD2-CD1 4.33Å; L200-I203 WeakPolarHBondContact O-CB 3.25Å; L200-I203 PolarHBondContact O-N 3.18Å; L200-I203 VanDerWaalsContact O-N 3.16Å; I203-S205 VanDerWaalsContact C-N 3.3Å; I203-S205 PolarHBondContact O-N 3.19Å; I203-I206 PolarHBondContact O-N 2.82Å; I203-Q207 WeakPolarHBondContact O-CG 3.42Å; I203-Q207 PolarHBondContact O-N 3.11Å |
| 204 | I | 83 | Confident | 81.1 | Confident | 5 Ų | 5 | 60.6 Ų | 60.6 | 3% | 0.026 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.8 | -40.9 | 176.7 | -65.6 | 168 | 0 | 0 | 0 | 110.7 | I138 F155 L200 D201 T202 I206 Q207 F208 | I138-I204 HydrophobicContact CD1-CD1 4.37Å; I138-I204 HydrophobicContact CD1-CG1 4.13Å; I138-I204 HydrophobicContact CG1-CD1 3.85Å; I138-I204 HydrophobicContact CG1-CG1 3.44Å; I138-I204 VanDerWaalsContact CG1-CG1 3.44Å; F155-I204 HydrophobicContact CD1-CD1 4.5Å; F155-I204 HydrophobicContact CD1-CG2 4.21Å; F155-I204 HydrophobicContact CE1-CB 4.33Å; F155-I204 HydrophobicContact CE1-CD1 3.55Å; F155-I204 HydrophobicContact CE1-CG2 3.99Å; F155-I204 HydrophobicContact CZ-CD1 3.96Å; F155-I204 HydrophobicContact CZ-CG2 4.18Å; L200-I204 WeakPolarHBondContact O-CG1 3.43Å; L200-I204 PolarHBondContact O-N 3.36Å; D201-I204 PolarHBondContact O-N 2.98Å; T202-I204 VanDerWaalsContact C-N 3.34Å; T202-I204 PolarHBondContact O-N 3.26Å; I204-I206 PolarHBondContact O-N 3.08Å; I204-Q207 WeakPolarHBondContact O-CB 3.24Å; I204-Q207 PolarHBondContact O-N 3.42Å; I204-F208 PolarHBondContact O-N 3.4Å |
| 205 | S | 83 | Confident | 80.4 | Confident | 10 Ų | 10 | 63.1 Ų | 63.1 | 7% | 0.07 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.1 | -41.4 | 177.2 | -63.2 | 0 | 0 | 0 | 0 | 112.2 | M159 D201 T202 I203 F208 L209 | M159-S205 PolarHBondContact SD-OG 3.19Å; D201-S205 WeakPolarHBondContact O-CB 3.4Å; D201-S205 PolarHBondContact O-N 2.81Å; D201-S205 PolarHBondContact O-OG 2.96Å; T202-S205 WeakPolarHBondContact O-CB 3.49Å; T202-S205 PolarHBondContact O-N 3.02Å; I203-S205 VanDerWaalsContact C-N 3.3Å; I203-S205 PolarHBondContact O-N 3.19Å; S205-F208 WeakPolarHBondContact O-CB 3.29Å; S205-F208 PolarHBondContact O-N 3.14Å; S205-L209 WeakPolarHBondContact O-CG 3.34Å; S205-L209 PolarHBondContact O-N 3.36Å; S205-L209 VanDerWaalsContact O-N 3.08Å |
| 206 | I | 84 | Confident | 79.5 | Confident | 99 Ų | 99 | 61 Ų | 61 | 51% | 0.508 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.3 | -46.8 | 173.4 | -67.5 | 166.1 | 0 | 0 | 0 | 110.5 | T202 I203 I204 F208 L209 V210 | T202-I206 HydrophobicContact CG2-CD1 4.32Å; T202-I206 WeakPolarHBondContact O-CG1 3.13Å; T202-I206 PolarHBondContact O-N 3.04Å; I203-I206 PolarHBondContact O-N 2.82Å; I204-I206 PolarHBondContact O-N 3.08Å; I206-F208 PolarHBondContact O-N 3.11Å; I206-L209 PolarHBondContact O-N 2.88Å; I206-V210 HydrophobicContact CG2-CG2 4.33Å; I206-V210 WeakPolarHBondContact O-CG2 3.22Å; I206-V210 PolarHBondContact O-N 3.19Å |
| 207 | Q | 81.8 | Confident | 78.6 | Confident | 22 Ų | 22 | 63.1 Ų | 63.1 | 10% | 0.103 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -58.1 | -39 | 176.3 | -71.3 | -177.7 | -3.1 | 0 | 0 | 112 | I203 I204 V210 Y211 | I203-Q207 WeakPolarHBondContact O-CG 3.42Å; I203-Q207 PolarHBondContact O-N 3.11Å; I204-Q207 WeakPolarHBondContact O-CB 3.24Å; I204-Q207 PolarHBondContact O-N 3.42Å; Q207-V210 PolarHBondContact O-N 3.31Å; Q207-Y211 HydrophobicContact CB-CD2 4.3Å; Q207-Y211 HydrophobicContact CB-CE2 3.97Å; Q207-Y211 HydrophobicContact CG-CE2 4.37Å; Q207-Y211 WeakPolarHBondContact O-CB 3.46Å; Q207-Y211 VanDerWaalsContact O-CD2 3.23Å; Q207-Y211 WeakPolarHBondContact O-CD2 3.4Å; Q207-Y211 PolarHBondContact O-N 2.88Å |
| 208 | F | 79.4 | Confident | 77.7 | Confident | 34 Ų | 34 | 66.7 Ų | 66.7 | 15% | 0.149 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63 | -45.2 | 177.9 | -160.7 | -84.7 | 0 | 0 | 0 | 112.2 | T147 Y152 I204 S205 I206 R212 | T147-F208 VanDerWaalsContact CB-CD2 3.43Å; T147-F208 HydrophobicContact CG2-CB 4.28Å; T147-F208 HydrophobicContact CG2-CD2 3.69Å; T147-F208 HydrophobicContact CG2-CE2 4.39Å; T147-F208 HydrophobicContact CG2-CG 4.28Å; T147-F208 WeakPolarHBondContact OG1-CD2 3.26Å; T147-F208 VanDerWaalsContact OG1-CE2 3.32Å; T147-F208 WeakPolarHBondContact OG1-CE2 3.29Å; Y152-F208 HydrophobicContact CD2-CB 4.15Å; Y152-F208 AromaticContact CD2-CD1 3.71Å; Y152-F208 HydrophobicContact CD2-CD1 3.71Å; Y152-F208 HydrophobicContact CD2-CD2 4.31Å; Y152-F208 HydrophobicContact CD2-CE1 4.21Å; Y152-F208 AromaticContact CD2-CG 3.79Å; Y152-F208 HydrophobicContact CD2-CG 3.79Å; Y152-F208 HydrophobicContact CE2-CB 4.42Å; Y152-F208 HydrophobicContact CE2-CD1 4.37Å; Y152-F208 HydrophobicContact CE2-CG 4.48Å; Y152-F208 HydrophobicContact CG-CD1 4.09Å; Y152-F208 HydrophobicContact CG-CE1 4.12Å; Y152-F208 HydrophobicContact CG-CG 4.49Å; I204-F208 PolarHBondContact O-N 3.4Å; S205-F208 WeakPolarHBondContact O-CB 3.29Å; S205-F208 PolarHBondContact O-N 3.14Å; I206-F208 PolarHBondContact O-N 3.11Å; F208-R212 WeakPolarHBondContact O-CB 3.15Å; F208-R212 PolarHBondContact O-N 3.04Å |
| 209 | L | 81.3 | Confident | 76.7 | Confident | 101 Ų | 101 | 72 Ų | 72 | 53% | 0.529 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -65.3 | -41.5 | 177.4 | -66.6 | 177.1 | 0 | 0 | 0 | 112.1 | S205 I206 R213 | S205-L209 WeakPolarHBondContact O-CG 3.34Å; S205-L209 PolarHBondContact O-N 3.36Å; S205-L209 VanDerWaalsContact O-N 3.08Å; I206-L209 PolarHBondContact O-N 2.88Å; L209-R213 WeakPolarHBondContact O-CB 3.26Å; L209-R213 PolarHBondContact O-N 2.85Å |
| 210 | V | 83.4 | Confident | 75.5 | Confident | 84 Ų | 84 | 74.3 Ų | 74.3 | 51% | 0.509 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -66.1 | -48.8 | 180 | 172 | 0 | 0 | 0 | 0 | 111.3 | I206 Q207 R213 S214 | I206-V210 HydrophobicContact CG2-CG2 4.33Å; I206-V210 WeakPolarHBondContact O-CG2 3.22Å; I206-V210 PolarHBondContact O-N 3.19Å; Q207-V210 PolarHBondContact O-N 3.31Å; V210-R213 PolarHBondContact O-N 3.37Å; V210-S214 PolarHBondContact O-N 3.44Å; V210-S214 VanDerWaalsContact O-N 3.14Å |
| 211 | Y | 79.2 | Confident | 74.7 | Confident | 20 Ų | 20 | 81 Ų | 81 | 8% | 0.078 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -72.2 | -34.2 | -177.4 | -60.6 | -33.9 | 0 | 0 | 0 | 112.8 | N141 K145 T147 Q207 R213 S214 T215 | N141-Y211 WeakPolarHBondContact O-CE2 3.43Å; K145-Y211 HydrophobicContact CB-CE1 4.34Å; K145-Y211 HydrophobicContact CD-CE1 3.72Å; T147-Y211 HydrophobicContact CG2-CD2 3.93Å; Q207-Y211 HydrophobicContact CB-CD2 4.3Å; Q207-Y211 HydrophobicContact CB-CE2 3.97Å; Q207-Y211 HydrophobicContact CG-CE2 4.37Å; Q207-Y211 WeakPolarHBondContact O-CB 3.46Å; Q207-Y211 VanDerWaalsContact O-CD2 3.23Å; Q207-Y211 WeakPolarHBondContact O-CD2 3.4Å; Q207-Y211 PolarHBondContact O-N 2.88Å; Y211-R213 VanDerWaalsContact C-N 3.3Å; Y211-R213 PolarHBondContact O-N 3.32Å; Y211-S214 PolarHBondContact O-N 2.79Å; Y211-T215 PolarHBondContact O-N 3.32Å; Y211-T215 VanDerWaalsContact O-N 3.1Å; Y211-T215 PolarHBondContact O-OG1 2.93Å |
| 212 | R | 72.4 | Confident | 73.7 | Confident | 172 Ų | 172 | 85.6 Ų | 85.6 | 65% | 0.649 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -60.5 | -39.8 | 171.7 | -179.9 | 176 | 163.2 | -179.1 | -4.5 | 112.2 | F208 A216 | F208-R212 WeakPolarHBondContact O-CB 3.15Å; F208-R212 PolarHBondContact O-N 3.04Å; R212-A216 PolarHBondContact O-N 3.23Å |
| 213 | R | 70.8 | Confident | 72.6 | Confident | 204 Ų | 204 | 91.1 Ų | 91.1 | 77% | 0.77 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -67.6 | -37.4 | 177.4 | -167.1 | 177.2 | -177.8 | 179.8 | 0.4 | 112 | L209 V210 Y211 A216 A217 | L209-R213 WeakPolarHBondContact O-CB 3.26Å; L209-R213 PolarHBondContact O-N 2.85Å; V210-R213 PolarHBondContact O-N 3.37Å; Y211-R213 VanDerWaalsContact C-N 3.3Å; Y211-R213 PolarHBondContact O-N 3.32Å; R213-A216 PolarHBondContact O-N 3.16Å; R213-A217 WeakPolarHBondContact O-CB 3.37Å; R213-A217 PolarHBondContact O-N 2.98Å |
| 214 | S | 66.9 | Low | 71.5 | Confident | 77 Ų | 77 | 95.4 Ų | 95.4 | 54% | 0.538 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.4 | -41.4 | 177 | -166.1 | 0 | 0 | 0 | 0 | 112.5 | V210 Y211 A217 S218 | V210-S214 PolarHBondContact O-N 3.44Å; V210-S214 VanDerWaalsContact O-N 3.14Å; Y211-S214 PolarHBondContact O-N 2.79Å; S214-A217 PolarHBondContact O-N 2.81Å; S214-S218 PolarHBondContact O-N 3.49Å; S214-S218 VanDerWaalsContact O-N 3.09Å |
| 215 | T | 66.8 | Low | 70.6 | Confident | 64 Ų | 64 | 100.9 Ų | 100.9 | 39% | 0.393 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.4 | -46.5 | 176 | -52.2 | 0 | 0 | 0 | 0 | 111.2 | Y211 A217 S218 E219 | Y211-T215 PolarHBondContact O-N 3.32Å; Y211-T215 VanDerWaalsContact O-N 3.1Å; Y211-T215 PolarHBondContact O-OG1 2.93Å; T215-A217 VanDerWaalsContact C-N 3.3Å; T215-A217 PolarHBondContact O-N 2.84Å; T215-S218 PolarHBondContact O-N 2.99Å; T215-E219 PolarHBondContact O-N 3.13Å |
| 216 | A | 63.7 | Low | 69.7 | Low | 57 Ų | 57 | 109.4 Ų | 109.4 | 47% | 0.471 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -62.8 | -34.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | R212 R213 L220 | R212-A216 PolarHBondContact O-N 3.23Å; R213-A216 PolarHBondContact O-N 3.16Å; A216-L220 PolarHBondContact O-N 2.75Å |
| 217 | A | 63.7 | Low | 68.9 | Low | 60 Ų | 60 | 109.9 Ų | 109.9 | 50% | 0.496 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -69.7 | -41 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | R213 S214 T215 L220 | R213-A217 WeakPolarHBondContact O-CB 3.37Å; R213-A217 PolarHBondContact O-N 2.98Å; S214-A217 PolarHBondContact O-N 2.81Å; T215-A217 VanDerWaalsContact C-N 3.3Å; T215-A217 PolarHBondContact O-N 2.84Å; A217-L220 WeakPolarHBondContact O-CB 3.29Å; A217-L220 PolarHBondContact O-N 3.23Å |
| 218 | S | 64.9 | Low | 68.3 | Low | 85 Ų | 85 | 114.5 Ų | 114.5 | 59% | 0.594 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -68.7 | -33 | 178 | -175.9 | 0 | 0 | 0 | 0 | 113.1 | S214 T215 L220 E221 | S214-S218 PolarHBondContact O-N 3.49Å; S214-S218 VanDerWaalsContact O-N 3.09Å; T215-S218 PolarHBondContact O-N 2.99Å; S218-L220 VanDerWaalsContact C-N 3.28Å; S218-E221 PolarHBondContact O-N 3.48Å |
| 219 | E | 63.1 | Low | 67.7 | Low | 152 Ų | 152 | 119 Ų | 119 | 71% | 0.71 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -71.3 | -23.8 | 174.7 | -73.1 | -178 | 171.4 | 0 | 0 | 112.6 | T215 E221 | T215-E219 PolarHBondContact O-N 3.13Å; E219-E221 VanDerWaalsContact C-N 3.3Å |
| 220 | L | 62.5 | Low | 66.9 | Low | 155 Ų | 155 | 120.1 Ų | 120.1 | 81% | 0.812 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | -13.9 | 177.4 | -148.9 | 86.5 | 0 | 0 | 0 | 112.8 | A216 A217 S218 | A216-L220 PolarHBondContact O-N 2.75Å; A217-L220 WeakPolarHBondContact O-CB 3.29Å; A217-L220 PolarHBondContact O-N 3.23Å; S218-L220 VanDerWaalsContact C-N 3.28Å |
| 221 | E | 65.8 | Low | 65.8 | Low | 165 Ų | 165 | 122.3 Ų | 122.3 | 77% | 0.771 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -105.5 | 50.3 | -171.8 | -157.5 | -167.4 | 159.6 | 0 | 0 | 113.2 | S218 E219 | S218-E221 PolarHBondContact O-N 3.48Å; E219-E221 VanDerWaalsContact C-N 3.3Å |
| 222 | P | 62.5 | Low | 64.9 | Low | 98 Ų | 98 | 129.1 Ų | 129.1 | 64% | 0.636 | 71% | 0.714 | S | S | * | * | -155.5 | 107.4 | 130 | 32.3 | -11 | 0 | 0 | 0 | 114.7 | |||||
| 223 | L | 61.9 | Low | 64.4 | Low | 171 Ų | 171 | 126.1 Ų | 126.1 | 90% | 0.895 | 72% | 0.719 | S | S | * | * | trans | -151.8 | 20 | 152.6 | -81.8 | -171.6 | 0 | 0 | 0 | 113.3 | P225 | L223-P225 WeakPolarHBondContact O-CD 3.5Š| ||
| 224 | L | 62.3 | Low | 63.9 | Low | 168 Ų | 168 | 120.1 Ų | 120.1 | 88% | 0.88 | 72% | 0.715 | S | S | * | * | trans | -97.8 | 109.3 | 167.1 | -73.3 | 173.9 | 0 | 0 | 0 | 108.3 | S226 | L224-S226 PolarHBondContact O-N 3.23Š| ||
| 225 | P | 64.3 | Low | 63.7 | Low | 121 Ų | 121 | 123.7 Ų | 123.7 | 79% | 0.786 | 73% | 0.73 | S | S | * | * | trans | -65.3 | 133.9 | 169.6 | 24.2 | -23.3 | 0 | 0 | 0 | 108.6 | L223 | L223-P225 WeakPolarHBondContact O-CD 3.5Š| ||
| 226 | S | 62.5 | Low | 63.4 | Low | 188 Ų | 188 | 129.1 Ų | 129.1 | 100% | 1.315 | 76% | 0.761 | S | S | * | * | trans | -58.9 | 0 | 172 | 54 | 0 | 0 | 0 | 0 | 113 | L224 | L224-S226 PolarHBondContact O-N 3.23Š|
Retrieved 226 of 226 residues in 201.9 ms
(Link to these results)