| 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 | 69.5 | Low | 94.2 | Very high | 181 Ų | 181 | 26.1 Ų | 26.1 | 89% | 0.892 | 13% | 0.133 | S | C | * | . | 0 | 138.9 | 0 | -173.8 | 173.3 | -177.4 | 0 | 0 | 107.5 | E216 | M1-E216 PolarHBondContact N-OE1 3.03Š| |||
| 2 | K | 86.6 | Confident | 94.5 | Very high | 60 Ų | 60 | 24 Ų | 24 | 26% | 0.261 | 12% | 0.122 | S | C | . | . | trans | -61.8 | 139.8 | -178.2 | -170.2 | 175 | -177.5 | 178.9 | 0 | 110.6 | Y84 D111 | K2-Y84 HydrophobicContact CB-CD1 4.38Å; K2-Y84 HydrophobicContact CB-CG 4.26Å; K2-Y84 HydrophobicContact CD-CD1 3.78Å; K2-Y84 HydrophobicContact CD-CD2 3.86Å; K2-Y84 HydrophobicContact CD-CE1 3.6Å; K2-Y84 HydrophobicContact CD-CE2 3.66Å; K2-Y84 HydrophobicContact CD-CG 3.93Å; K2-Y84 HydrophobicContact CG-CD1 4.16Å; K2-Y84 HydrophobicContact CG-CD2 3.87Å; K2-Y84 HydrophobicContact CG-CE1 4.45Å; K2-Y84 HydrophobicContact CG-CE2 4.16Å; K2-Y84 HydrophobicContact CG-CG 3.88Å; K2-Y84 PolarHBondContact NZ-OH 3.48Å; K2-Y84 WeakPolarHBondContact O-CB 3.37Å; K2-D111 WeakPolarHBondContact CE-OD1 3.47Å; K2-D111 IonicContact NZ-OD1 3.88Å; K2-D111 PolarHBondContact NZ-OD1 3.12Å; K2-D111 IonicContact NZ-OD2 2.98Å | ||
| 3 | S | 93 | Very high | 94.7 | Very high | 36 Ų | 36 | 23.4 Ų | 23.4 | 25% | 0.252 | 12% | 0.121 | S | C | . | . | trans | -132.2 | 147.4 | 175.4 | 60.5 | 0 | 0 | 0 | 0 | 110.2 | R82 | S3-R82 VanDerWaalsContact CA-O 3.24Å; S3-R82 WeakPolarHBondContact CA-O 3.31Å; S3-R82 WeakPolarHBondContact CB-O 3.41Å | ||
| 4 | S | 96.6 | Very high | 94.9 | Very high | 2 Ų | 2 | 22.9 Ų | 22.9 | 1% | 0.014 | 12% | 0.121 | C | C | . | . | trans | -79.5 | 143.7 | 171 | -59.1 | 0 | 0 | 0 | 0 | 110.5 | I81 R82 Y84 A110 D111 | S4-I81 WeakPolarHBondContact CB-O 3.18Å; S4-I81 PolarHBondContact OG-O 2.7Å; S4-R82 PolarHBondContact N-O 2.99Å; S4-Y84 WeakPolarHBondContact OG-CD2 3.41Å; S4-A110 VanDerWaalsContact CB-O 3.28Å; S4-A110 WeakPolarHBondContact CB-O 3.4Å; S4-A110 PolarHBondContact OG-O 2.62Å; S4-D111 WeakPolarHBondContact CA-O 3.33Å | ||
| 5 | F | 97.3 | Very high | 95 | Very high | 7 Ų | 7 | 21.3 Ų | 21.3 | 3% | 0.031 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 115.9 | 167.2 | -170.3 | -90.6 | 0 | 0 | 0 | 109.2 | I7 D111 V112 V113 D131 L132 H205 I209 W217 | F5-I7 HydrophobicContact CD1-CD1 4.18Å; F5-I7 HydrophobicContact CD1-CG1 3.8Å; F5-I7 HydrophobicContact CE1-CD1 4.05Å; F5-I7 HydrophobicContact CE1-CG1 3.75Å; F5-D111 PolarHBondContact N-O 2.98Å; F5-V112 HydrophobicContact CB-CG2 4.32Å; F5-V112 VanDerWaalsContact O-CA 3.3Å; F5-V112 WeakPolarHBondContact O-CA 3.32Å; F5-V113 PolarHBondContact O-N 2.77Å; F5-D131 HydrophobicContact CD1-CB 4.34Å; F5-D131 HydrophobicContact CD2-CB 3.6Å; F5-D131 HydrophobicContact CE1-CB 4.12Å; F5-D131 HydrophobicContact CE2-CB 3.33Å; F5-D131 HydrophobicContact CG-CB 4.12Å; F5-D131 HydrophobicContact CZ-CB 3.62Å; F5-L132 HydrophobicContact CE1-CB 3.95Å; F5-L132 HydrophobicContact CZ-CB 4.09Å; F5-H205 AromaticContact CZ-NE2 3.85Å; F5-I209 HydrophobicContact CB-CG2 4.22Å; F5-I209 HydrophobicContact CD1-CD1 3.61Å; F5-I209 HydrophobicContact CD2-CD1 3.98Å; F5-I209 HydrophobicContact CE1-CD1 3.51Å; F5-I209 HydrophobicContact CE2-CD1 3.89Å; F5-I209 HydrophobicContact CG-CD1 3.84Å; F5-I209 HydrophobicContact CG-CG2 4.44Å; F5-I209 HydrophobicContact CZ-CD1 3.66Å; F5-W217 AromaticContact CD2-CD2 3.94Å; F5-W217 HydrophobicContact CD2-CD2 3.94Å; F5-W217 AromaticContact CD2-CE2 3.75Å; F5-W217 AromaticContact CD2-CE3 3.86Å; F5-W217 HydrophobicContact CD2-CE3 3.86Å; F5-W217 AromaticContact CD2-CH2 3.47Å; F5-W217 HydrophobicContact CD2-CH2 3.47Å; F5-W217 VanDerWaalsContact CD2-CH2 3.47Å; F5-W217 AromaticContact CD2-CZ2 3.53Å; F5-W217 HydrophobicContact CD2-CZ2 3.53Å; F5-W217 AromaticContact CD2-CZ3 3.64Å; F5-W217 HydrophobicContact CD2-CZ3 3.64Å; F5-W217 HydrophobicContact CE2-CD2 4.43Å; F5-W217 AromaticContact CE2-CE3 3.87Å; F5-W217 HydrophobicContact CE2-CE3 3.87Å; F5-W217 AromaticContact CE2-CH2 3.47Å; F5-W217 HydrophobicContact CE2-CH2 3.47Å; F5-W217 VanDerWaalsContact CE2-CH2 3.47Å; F5-W217 HydrophobicContact CE2-CZ2 4.05Å; F5-W217 AromaticContact CE2-CZ3 3.37Å; F5-W217 HydrophobicContact CE2-CZ3 3.37Å; F5-W217 HydrophobicContact CG-CZ2 4.38Å |
| 6 | V | 98.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 121.4 | -170.5 | -168.5 | 0 | 0 | 0 | 0 | 110.6 | I81 R82 V113 V115 F130 D131 L132 | V6-I81 HydrophobicContact CG2-CG2 4.05Å; V6-R82 HydrophobicContact CG2-CB 4.28Å; V6-V113 WeakPolarHBondContact CA-O 3.34Å; V6-V115 HydrophobicContact CG1-CG2 3.82Å; V6-F130 HydrophobicContact CB-CD1 4.32Å; V6-F130 HydrophobicContact CG1-CD1 3.6Å; V6-F130 HydrophobicContact CG1-CE1 4Å; V6-F130 CarbonylContact O-C 3.51Å; V6-F130 WeakPolarHBondContact O-CA 3.3Å; V6-D131 PolarHBondContact N-OD2 3.48Å; V6-D131 PolarHBondContact O-N 3.18Å; V6-L132 PolarHBondContact O-N 3.43Å |
| 7 | I | 98.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 116.3 | 179.6 | -51.6 | -177.4 | 0 | 0 | 0 | 109 | F5 V9 V112 V113 L114 V115 L132 L134 I206 | F5-I7 HydrophobicContact CD1-CD1 4.18Å; F5-I7 HydrophobicContact CD1-CG1 3.8Å; F5-I7 HydrophobicContact CE1-CD1 4.05Å; F5-I7 HydrophobicContact CE1-CG1 3.75Å; I7-V9 HydrophobicContact CG2-CG2 4.18Å; I7-V112 HydrophobicContact CD1-CG1 3.9Å; I7-V112 HydrophobicContact CG1-CG1 4.23Å; I7-V113 PolarHBondContact N-O 3.2Å; I7-L114 HydrophobicContact CB-CD2 3.75Å; I7-L114 HydrophobicContact CD1-CD2 3.77Å; I7-L114 HydrophobicContact CG1-CD2 4.12Å; I7-L114 HydrophobicContact CG2-CD2 4.23Å; I7-L114 CarbonylContact O-C 3.44Å; I7-L114 WeakPolarHBondContact O-CA 3.14Å; I7-V115 PolarHBondContact O-N 3.32Å; I7-L132 CarbonylContact C-O 3.53Å; I7-L132 VanDerWaalsContact CA-O 3.3Å; I7-L132 WeakPolarHBondContact CA-O 3.45Å; I7-L132 HydrophobicContact CD1-CD2 4.25Å; I7-L132 HydrophobicContact CG1-CB 4.23Å; I7-L132 HydrophobicContact CG2-CB 4.21Å; I7-L132 HydrophobicContact CG2-CD2 4.25Å; I7-L132 HydrophobicContact CG2-CG 4.23Å; I7-L134 HydrophobicContact CG2-CD1 3.81Å; I7-L134 HydrophobicContact CG2-CG 3.84Å; I7-I206 HydrophobicContact CD1-CD1 3.84Å; I7-I206 HydrophobicContact CD1-CG1 3.91Å |
| 8 | G | 98.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 125 | 173 | 0 | 0 | 0 | 0 | 0 | 111.1 | V115 L132 K133 L134 | G8-V115 CarbonylContact C-O 3.55Å; G8-V115 WeakPolarHBondContact CA-O 3.35Å; G8-L132 PolarHBondContact N-O 2.62Å; G8-K133 CarbonylContact O-C 3.56Å; G8-K133 WeakPolarHBondContact O-CA 3.27Å; G8-L134 PolarHBondContact O-N 3.29Å |
| 9 | V | 98.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 96.9 | 179.9 | -172.1 | 0 | 0 | 0 | 0 | 109.8 | I7 K17 V115 E116 G117 V120 L134 V136 | I7-V9 HydrophobicContact CG2-CG2 4.18Å; V9-K17 HydrophobicContact CG1-CB 4.14Å; V9-K17 HydrophobicContact CG1-CG 4.29Å; V9-K17 WeakPolarHBondContact O-CD 3.35Å; V9-V115 PolarHBondContact N-O 3.35Å; V9-E116 HydrophobicContact CB-CB 3.91Å; V9-E116 HydrophobicContact CG1-CB 4.5Å; V9-E116 VanDerWaalsContact O-CA 3.31Å; V9-E116 WeakPolarHBondContact O-CA 3.44Å; V9-G117 PolarHBondContact O-N 3.16Å; V9-V120 WeakPolarHBondContact O-CG2 3.41Å; V9-L134 HydrophobicContact CG1-CB 4.39Å; V9-L134 HydrophobicContact CG2-CB 4.33Å; V9-L134 HydrophobicContact CG2-CD1 4.09Å; V9-L134 HydrophobicContact CG2-CG 4.48Å; V9-V136 HydrophobicContact CG1-CG2 3.92Å |
| 10 | G | 98.8 | Very high | 95.8 | Very high | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.01 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 168.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L134 F135 V136 | G10-L134 PolarHBondContact N-O 2.83Å; G10-F135 CarbonylContact O-C 3.58Å; G10-F135 WeakPolarHBondContact O-CA 3.23Å; G10-V136 PolarHBondContact O-N 3.43Å |
| 11 | G | 98.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.123 | C | C | . | . | trans | 142.1 | 158.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113 | K17 C178 | G11-K17 WeakPolarHBondContact O-CD 3.35Å; G11-K17 WeakPolarHBondContact O-CE 3.32Å; G11-K17 PolarHBondContact O-NZ 2.96Å; G11-C178 VanDerWaalsContact C-SG 3.51Å | ||
| 12 | G | 98 | Very high | 97.1 | Very high | 1 Ų | 1 | 17.9 Ų | 17.9 | 1% | 0.01 | 10% | 0.104 | C | C | . | . | trans | -60.7 | 162.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | A14 S15 K17 | G12-A14 PolarHBondContact O-N 3.4Å; G12-S15 WeakPolarHBondContact O-CB 3.38Å; G12-S15 PolarHBondContact O-N 3.1Å; G12-S15 PolarHBondContact O-OG 3.31Å; G12-K17 PolarHBondContact O-NZ 3.34Å | ||
| 13 | T | 97.7 | Very high | 97.6 | Very high | 16 Ų | 16 | 18.4 Ų | 18.4 | 10% | 0.098 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | 139.5 | 172.1 | -166.9 | 0 | 0 | 0 | 0 | 110.2 | S15 R143 R150 V170 | T13-S15 PolarHBondContact O-N 3.41Å; T13-S15 VanDerWaalsContact O-N 3.13Å; T13-R143 WeakPolarHBondContact O-CD 3.44Å; T13-R150 PolarHBondContact OG1-NH2 3.44Å; T13-V170 HydrophobicContact CG2-CG1 3.39Å |
| 14 | A | 96.9 | Very high | 97.7 | Very high | 16 Ų | 16 | 16.7 Ų | 16.7 | 13% | 0.132 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | 21.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 116 | G12 G16 R143 R146 R147 | G12-A14 PolarHBondContact O-N 3.4Å; A14-G16 VanDerWaalsContact C-N 3.26Å; A14-G16 PolarHBondContact O-N 3.19Å; A14-R143 WeakPolarHBondContact CB-O 3.35Å; A14-R146 HydrophobicContact CB-CB 3.81Å; A14-R146 WeakPolarHBondContact O-CD 3.45Å; A14-R147 HydrophobicContact CB-CB 4.07Å |
| 15 | S | 97.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -74.5 | -13.5 | 170.6 | 69.2 | 0 | 0 | 0 | 0 | 113.9 | G12 T13 V136 T138 | G12-S15 WeakPolarHBondContact O-CB 3.38Å; G12-S15 PolarHBondContact O-N 3.1Å; G12-S15 PolarHBondContact O-OG 3.31Å; T13-S15 PolarHBondContact O-N 3.41Å; T13-S15 VanDerWaalsContact O-N 3.13Å; S15-V136 WeakPolarHBondContact CB-O 3.4Å; S15-V136 VanDerWaalsContact O-CG1 3.24Å; S15-V136 WeakPolarHBondContact O-CG1 3.4Å; S15-V136 PolarHBondContact OG-O 3.34Å; S15-T138 PolarHBondContact O-OG1 3.28Å |
| 16 | G | 97.5 | Very high | 97.5 | Very high | 13 Ų | 13 | 23.2 Ų | 23.2 | 13% | 0.134 | 14% | 0.136 | C | C | . | . | S | Bend | trans | 95.7 | 22 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | A14 T19 V20 | A14-G16 VanDerWaalsContact C-N 3.26Å; A14-G16 PolarHBondContact O-N 3.19Å; G16-T19 PolarHBondContact O-N 2.7Å; G16-V20 WeakPolarHBondContact O-CG2 3.32Å; G16-V20 PolarHBondContact O-N 3.23Å |
| 17 | K | 98.5 | Very high | 97.4 | Very high | 12 Ų | 12 | 27 Ų | 27 | 5% | 0.052 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -52.3 | -56.6 | 172.1 | -63.2 | -177.6 | -62.6 | -67.2 | 0 | 112.8 | V9 G11 G12 T19 V20 C21 E116 G117 V136 | V9-K17 HydrophobicContact CG1-CB 4.14Å; V9-K17 HydrophobicContact CG1-CG 4.29Å; V9-K17 WeakPolarHBondContact O-CD 3.35Å; G11-K17 WeakPolarHBondContact O-CD 3.35Å; G11-K17 WeakPolarHBondContact O-CE 3.32Å; G11-K17 PolarHBondContact O-NZ 2.96Å; G12-K17 PolarHBondContact O-NZ 3.34Å; K17-T19 VanDerWaalsContact C-N 3.28Å; K17-T19 PolarHBondContact O-N 3.39Å; K17-V20 WeakPolarHBondContact O-CB 3.39Å; K17-V20 PolarHBondContact O-N 2.93Å; K17-V20 VanDerWaalsContact O-N 3.09Å; K17-C21 PolarHBondContact O-N 3.28Å; K17-C21 PolarHBondContact O-SG 2.98Å; K17-E116 HydrophobicContact CB-CB 4.42Å; K17-E116 VanDerWaalsContact CE-OE2 3.32Å; K17-E116 WeakPolarHBondContact CE-OE2 3.46Å; K17-G117 VanDerWaalsContact CE-C 3.44Å; K17-V136 HydrophobicContact CG-CB 4.07Å; K17-V136 HydrophobicContact CG-CG2 4.18Å |
| 18 | S | 97.6 | Very high | 97.1 | Very high | 45 Ų | 45 | 27.7 Ų | 27.7 | 32% | 0.315 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -58.6 | -43.1 | -179.8 | -40.2 | 0 | 0 | 0 | 0 | 110.7 | V20 C21 E22 | S18-V20 PolarHBondContact O-N 3.43Å; S18-C21 WeakPolarHBondContact O-CB 3.32Å; S18-C21 PolarHBondContact O-N 3.32Å; S18-C21 VanDerWaalsContact O-N 3.16Å; S18-E22 WeakPolarHBondContact O-CB 3.46Å; S18-E22 VanDerWaalsContact O-CG 3.26Å; S18-E22 WeakPolarHBondContact O-CG 3.2Å; S18-E22 PolarHBondContact O-N 3.45Å |
| 19 | T | 97.4 | Very high | 96.7 | Very high | 64 Ų | 64 | 29.2 Ų | 29.2 | 39% | 0.393 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -60.1 | -43.3 | 174.3 | -47.3 | 0 | 0 | 0 | 0 | 112.7 | G16 K17 C21 E22 E23 | G16-T19 PolarHBondContact O-N 2.7Å; K17-T19 VanDerWaalsContact C-N 3.28Å; K17-T19 PolarHBondContact O-N 3.39Å; T19-C21 VanDerWaalsContact C-N 3.33Å; T19-C21 PolarHBondContact O-N 3.49Å; T19-E22 PolarHBondContact O-N 3.3Å; T19-E23 HydrophobicContact CG2-CG 4.4Å; T19-E23 WeakPolarHBondContact O-CB 2.97Å; T19-E23 VanDerWaalsContact O-CG 3.27Å; T19-E23 WeakPolarHBondContact O-CG 3.37Å; T19-E23 PolarHBondContact O-N 2.87Å |
| 20 | V | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60 | -44.8 | 174.6 | 166.3 | 0 | 0 | 0 | 0 | 110.8 | G16 K17 S18 E23 I24 V136 I189 G192 | G16-V20 WeakPolarHBondContact O-CG2 3.32Å; G16-V20 PolarHBondContact O-N 3.23Å; K17-V20 WeakPolarHBondContact O-CB 3.39Å; K17-V20 PolarHBondContact O-N 2.93Å; K17-V20 VanDerWaalsContact O-N 3.09Å; S18-V20 PolarHBondContact O-N 3.43Å; V20-E23 PolarHBondContact O-N 3.09Å; V20-I24 HydrophobicContact CG1-CD1 3.87Å; V20-I24 WeakPolarHBondContact O-CD1 3.41Å; V20-I24 VanDerWaalsContact O-CG1 3.23Å; V20-I24 WeakPolarHBondContact O-CG1 3.32Å; V20-I24 PolarHBondContact O-N 3.15Å; V20-V136 HydrophobicContact CB-CG2 4.34Å; V20-V136 HydrophobicContact CG2-CG1 4.45Å; V20-V136 HydrophobicContact CG2-CG2 3.98Å; V20-I189 HydrophobicContact CG1-CD1 3.98Å; V20-I189 HydrophobicContact CG2-CG2 4.43Å; V20-G192 VanDerWaalsContact CG2-C 3.4Å |
| 21 | C | 98.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.8 | -41.9 | 178.5 | -65.5 | 0 | 0 | 0 | 0 | 112.5 | K17 S18 T19 I24 I25 M38 L114 | K17-C21 PolarHBondContact O-N 3.28Å; K17-C21 PolarHBondContact O-SG 2.98Å; S18-C21 WeakPolarHBondContact O-CB 3.32Å; S18-C21 PolarHBondContact O-N 3.32Å; S18-C21 VanDerWaalsContact O-N 3.16Å; T19-C21 VanDerWaalsContact C-N 3.33Å; T19-C21 PolarHBondContact O-N 3.49Å; C21-I24 PolarHBondContact O-N 3.29Å; C21-I25 WeakPolarHBondContact O-CG1 3.38Å; C21-I25 PolarHBondContact O-N 3.31Å; C21-M38 HydrophobicContact CB-CG 4.1Å; C21-M38 HydrophobicContact CB-SD 3.27Å; C21-M38 WeakPolarHBondContact CB-SD 3.26Å; C21-L114 HydrophobicContact CB-CD1 3.71Å |
| 22 | E | 96 | Very high | 95.3 | Very high | 102 Ų | 102 | 41.1 Ų | 41.1 | 48% | 0.477 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -63.4 | -44.1 | 176 | -72.9 | 161.1 | -172.4 | 0 | 0 | 111.6 | S18 T19 I25 S26 M38 | S18-E22 WeakPolarHBondContact O-CB 3.46Å; S18-E22 VanDerWaalsContact O-CG 3.26Å; S18-E22 WeakPolarHBondContact O-CG 3.2Å; S18-E22 PolarHBondContact O-N 3.45Å; T19-E22 PolarHBondContact O-N 3.3Å; E22-I25 PolarHBondContact O-N 3.48Å; E22-S26 VanDerWaalsContact O-CB 3.24Å; E22-S26 WeakPolarHBondContact O-CB 3.35Å; E22-S26 PolarHBondContact O-N 2.88Å; E22-M38 HydrophobicContact CG-CE 4.26Å |
| 23 | E | 96.1 | Very high | 94.6 | Very high | 72 Ų | 72 | 48.8 Ų | 48.8 | 34% | 0.336 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64.1 | -39.9 | 176.3 | -75.3 | -63.3 | 140.5 | 0 | 0 | 112.2 | T19 V20 S26 K27 V199 | T19-E23 HydrophobicContact CG2-CG 4.4Å; T19-E23 WeakPolarHBondContact O-CB 2.97Å; T19-E23 VanDerWaalsContact O-CG 3.27Å; T19-E23 WeakPolarHBondContact O-CG 3.37Å; T19-E23 PolarHBondContact O-N 2.87Å; V20-E23 PolarHBondContact O-N 3.09Å; E23-S26 PolarHBondContact O-N 2.85Å; E23-K27 WeakPolarHBondContact O-CB 3.23Å; E23-K27 WeakPolarHBondContact O-CG 3.3Å; E23-K27 PolarHBondContact O-N 3.07Å; E23-V199 HydrophobicContact CB-CG1 4.05Å |
| 24 | I | 96.2 | Very high | 94 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.2 | -51.9 | 173.1 | -72.3 | 164.5 | 0 | 0 | 0 | 110.2 | V20 C21 S26 K27 L28 L114 V199 I202 V203 I206 | V20-I24 HydrophobicContact CG1-CD1 3.87Å; V20-I24 WeakPolarHBondContact O-CD1 3.41Å; V20-I24 VanDerWaalsContact O-CG1 3.23Å; V20-I24 WeakPolarHBondContact O-CG1 3.32Å; V20-I24 PolarHBondContact O-N 3.15Å; C21-I24 PolarHBondContact O-N 3.29Å; I24-S26 VanDerWaalsContact C-N 3.34Å; I24-S26 PolarHBondContact O-N 3.4Å; I24-K27 PolarHBondContact O-N 3.49Å; I24-L28 HydrophobicContact CG2-CD1 4.21Å; I24-L28 WeakPolarHBondContact O-CG 3.47Å; I24-L28 PolarHBondContact O-N 2.99Å; I24-L28 VanDerWaalsContact O-N 3.12Å; I24-L114 HydrophobicContact CB-CD1 4.38Å; I24-L114 HydrophobicContact CG2-CD1 4.2Å; I24-V199 HydrophobicContact CG1-CG1 4.02Å; I24-I202 HydrophobicContact CD1-CB 4.27Å; I24-I202 HydrophobicContact CD1-CG2 3.65Å; I24-I202 HydrophobicContact CG1-CG2 4.25Å; I24-V203 HydrophobicContact CB-CG2 4.31Å; I24-V203 HydrophobicContact CG1-CG2 4.26Å; I24-V203 HydrophobicContact CG2-CG2 4.22Å; I24-I206 HydrophobicContact CG2-CD1 3.44Å; I24-I206 VanDerWaalsContact CG2-CD1 3.44Å |
| 25 | I | 95 | Very high | 93.9 | Very high | 63 Ų | 63 | 52.6 Ų | 52.6 | 32% | 0.323 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.5 | -42.3 | -178.5 | -68.6 | 169.6 | 0 | 0 | 0 | 110.9 | C21 E22 L28 V36 M38 L114 | C21-I25 WeakPolarHBondContact O-CG1 3.38Å; C21-I25 PolarHBondContact O-N 3.31Å; E22-I25 PolarHBondContact O-N 3.48Å; I25-L28 PolarHBondContact O-N 3.1Å; I25-V36 HydrophobicContact CD1-CG1 4.49Å; I25-V36 HydrophobicContact CG1-CG1 4Å; I25-M38 HydrophobicContact CD1-CB 3.89Å; I25-L114 HydrophobicContact CD1-CD1 4.24Å; I25-L114 HydrophobicContact CG1-CD1 4.19Å |
| 26 | S | 94.4 | Very high | 93.8 | Very high | 83 Ų | 83 | 53.3 Ų | 53.3 | 58% | 0.58 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -59.8 | -46.9 | 177.8 | -176.9 | 0 | 0 | 0 | 0 | 111.9 | E22 E23 I24 L28 G29 | E22-S26 VanDerWaalsContact O-CB 3.24Å; E22-S26 WeakPolarHBondContact O-CB 3.35Å; E22-S26 PolarHBondContact O-N 2.88Å; E23-S26 PolarHBondContact O-N 2.85Å; I24-S26 VanDerWaalsContact C-N 3.34Å; I24-S26 PolarHBondContact O-N 3.4Å; S26-L28 PolarHBondContact O-N 3.48Å; S26-G29 PolarHBondContact O-N 3.46Å; S26-G29 VanDerWaalsContact O-N 3.1Å |
| 27 | K | 95.2 | Very high | 93.7 | Very high | 80 Ų | 80 | 53.5 Ų | 53.5 | 35% | 0.348 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -72.3 | -25.2 | -178.1 | -78.8 | 168.6 | 168.5 | -80.1 | 0 | 114.5 | E23 I24 G29 V199 D200 V203 | E23-K27 WeakPolarHBondContact O-CB 3.23Å; E23-K27 WeakPolarHBondContact O-CG 3.3Å; E23-K27 PolarHBondContact O-N 3.07Å; I24-K27 PolarHBondContact O-N 3.49Å; K27-G29 PolarHBondContact O-N 3.42Å; K27-V199 HydrophobicContact CD-CG1 3.66Å; K27-D200 WeakPolarHBondContact CD-OD1 3.45Å; K27-D200 WeakPolarHBondContact CE-OD1 3.39Å; K27-D200 IonicContact NZ-OD1 2.62Å; K27-D200 PolarHBondContact NZ-OD1 2.84Å; K27-D200 IonicContact NZ-OD2 2.88Å; K27-V203 HydrophobicContact CB-CG1 4.29Å; K27-V203 HydrophobicContact CB-CG2 3.88Å; K27-V203 HydrophobicContact CD-CG2 4.38Å |
| 28 | L | 94.3 | Very high | 93.6 | Very high | 13 Ų | 13 | 56 Ų | 56 | 7% | 0.068 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.3 | -32.4 | 169.3 | -70.8 | 167.1 | 0 | 0 | 0 | 111 | I24 I25 S26 Y32 V36 V203 I206 L207 L210 | I24-L28 HydrophobicContact CG2-CD1 4.21Å; I24-L28 WeakPolarHBondContact O-CG 3.47Å; I24-L28 PolarHBondContact O-N 2.99Å; I24-L28 VanDerWaalsContact O-N 3.12Å; I25-L28 PolarHBondContact O-N 3.1Å; S26-L28 PolarHBondContact O-N 3.48Å; L28-Y32 HydrophobicContact CB-CD2 4.48Å; L28-Y32 WeakPolarHBondContact O-CD2 3.24Å; L28-V36 HydrophobicContact CD1-CB 4.26Å; L28-V36 HydrophobicContact CD1-CG1 4.46Å; L28-V36 HydrophobicContact CD1-CG2 3.56Å; L28-V203 HydrophobicContact CD2-CG1 3.93Å; L28-V203 HydrophobicContact CG-CG1 4.3Å; L28-I206 HydrophobicContact CD1-CG2 3.81Å; L28-I206 HydrophobicContact CD2-CB 4.37Å; L28-I206 HydrophobicContact CD2-CG2 3.83Å; L28-I206 HydrophobicContact CG-CG2 4.47Å; L28-L207 HydrophobicContact CD2-CD2 3.56Å; L28-L207 HydrophobicContact CD2-CG 3.69Å; L28-L210 HydrophobicContact CD2-CD1 4.41Å |
| 29 | G | 88.9 | Confident | 93.6 | Very high | 33 Ų | 33 | 54.2 Ų | 54.2 | 34% | 0.34 | 31% | 0.31 | S | S | . | . | trans | 77.3 | 179.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114 | S26 K27 E31 Y32 | S26-G29 PolarHBondContact O-N 3.46Å; S26-G29 VanDerWaalsContact O-N 3.1Å; K27-G29 PolarHBondContact O-N 3.42Å; G29-E31 PolarHBondContact O-N 3.19Å; G29-Y32 PolarHBondContact O-N 3.34Å | ||
| 30 | A | 88.5 | Confident | 93.6 | Very high | 83 Ų | 83 | 52.3 Ų | 52.3 | 69% | 0.686 | 30% | 0.299 | S | S | * | . | G | 310 helix | trans | -62.5 | -26.3 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114 | Y32 Q33 | A30-Y32 VanDerWaalsContact C-N 3.26Å; A30-Y32 PolarHBondContact O-N 2.65Å; A30-Q33 VanDerWaalsContact O-CB 3.27Å; A30-Q33 WeakPolarHBondContact O-CB 3.21Å; A30-Q33 PolarHBondContact O-N 3.08Å |
| 31 | E | 89.5 | Confident | 93.6 | Very high | 149 Ų | 149 | 52.3 Ų | 52.3 | 70% | 0.696 | 30% | 0.299 | S | S | * | . | G | 310 helix | trans | -58.2 | -37.1 | 178.9 | -175.8 | -174 | 151.8 | 0 | 0 | 112.5 | G29 | G29-E31 PolarHBondContact O-N 3.19Š|
| 32 | Y | 89.5 | Confident | 93.5 | Very high | 19 Ų | 19 | 53.4 Ų | 53.4 | 8% | 0.075 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -105.1 | 12.5 | -178.3 | -56.7 | -84.4 | 0 | 0 | 0 | 112.3 | L28 G29 A30 G34 M35 L207 L210 R211 | L28-Y32 HydrophobicContact CB-CD2 4.48Å; L28-Y32 WeakPolarHBondContact O-CD2 3.24Å; G29-Y32 PolarHBondContact O-N 3.34Å; A30-Y32 VanDerWaalsContact C-N 3.26Å; A30-Y32 PolarHBondContact O-N 2.65Å; Y32-G34 PolarHBondContact O-N 2.83Å; Y32-M35 HydrophobicContact CD1-SD 3.99Å; Y32-M35 WeakPolarHBondContact O-CB 3.24Å; Y32-M35 PolarHBondContact O-N 3.44Å; Y32-M35 VanDerWaalsContact O-N 3.08Å; Y32-L207 HydrophobicContact CD2-CD2 3.79Å; Y32-L207 HydrophobicContact CE1-CD2 4.1Å; Y32-L207 HydrophobicContact CE2-CD2 3.34Å; Y32-L207 HydrophobicContact CG-CD2 4.36Å; Y32-L210 HydrophobicContact CD1-CB 4.03Å; Y32-L210 HydrophobicContact CD1-CD1 3.51Å; Y32-L210 HydrophobicContact CD1-CG 4.34Å; Y32-L210 HydrophobicContact CE1-CB 4.04Å; Y32-L210 HydrophobicContact CE1-CD1 4.24Å; Y32-L210 HydrophobicContact CG-CD1 3.94Å; Y32-R211 PolarHBondContact OH-NE 3.19Å; Y32-R211 VanDerWaalsContact OH-NE 3.16Å; Y32-R211 PolarHBondContact OH-NH2 3.25Å |
| 33 | Q | 84.1 | Confident | 93.5 | Very high | 162 Ų | 162 | 49.5 Ų | 49.5 | 76% | 0.757 | 29% | 0.289 | S | S | * | . | B | Isolated β-bridge | trans | -61.1 | 129.5 | 176.9 | -171.6 | 175.4 | 1.8 | 0 | 0 | 110.1 | A30 M35 | A30-Q33 VanDerWaalsContact O-CB 3.27Å; A30-Q33 WeakPolarHBondContact O-CB 3.21Å; A30-Q33 PolarHBondContact O-N 3.08Å; Q33-M35 VanDerWaalsContact C-N 3.28Å; Q33-M35 PolarHBondContact O-N 3.08Å |
| 34 | G | 85.4 | Confident | 93.6 | Very high | 53 Ų | 53 | 46.2 Ų | 46.2 | 55% | 0.546 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.8 | -16.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y32 V36 | Y32-G34 PolarHBondContact O-N 2.83Å; G34-V36 VanDerWaalsContact C-N 3.35Å |
| 35 | M | 93.4 | Very high | 93.6 | Very high | 58 Ų | 58 | 47 Ų | 47 | 29% | 0.286 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -18.7 | 170.3 | -59.5 | -174.2 | 79.4 | 0 | 0 | 112.4 | Y32 Q33 D111 V112 L210 | Y32-M35 HydrophobicContact CD1-SD 3.99Å; Y32-M35 WeakPolarHBondContact O-CB 3.24Å; Y32-M35 PolarHBondContact O-N 3.44Å; Y32-M35 VanDerWaalsContact O-N 3.08Å; Q33-M35 VanDerWaalsContact C-N 3.28Å; Q33-M35 PolarHBondContact O-N 3.08Å; M35-D111 HydrophobicContact CB-CB 4.47Å; M35-D111 HydrophobicContact CE-CB 4.37Å; M35-D111 WeakPolarHBondContact CE-OD2 3.35Å; M35-D111 PolarHBondContact O-N 3.4Å; M35-V112 PolarHBondContact O-N 3.1Å; M35-L210 HydrophobicContact CB-CD2 4.02Å; M35-L210 HydrophobicContact CE-CD2 3.9Å; M35-L210 HydrophobicContact SD-CD2 4.44Å |
| 36 | V | 96.1 | Very high | 93.6 | Very high | 15 Ų | 15 | 47.1 Ų | 47.1 | 9% | 0.091 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 128.5 | 177.4 | -170.7 | 0 | 0 | 0 | 0 | 110.5 | I25 L28 G34 V112 L114 I206 L210 | I25-V36 HydrophobicContact CD1-CG1 4.49Å; I25-V36 HydrophobicContact CG1-CG1 4Å; L28-V36 HydrophobicContact CD1-CB 4.26Å; L28-V36 HydrophobicContact CD1-CG1 4.46Å; L28-V36 HydrophobicContact CD1-CG2 3.56Å; G34-V36 VanDerWaalsContact C-N 3.35Å; V36-V112 VanDerWaalsContact CA-O 3.27Å; V36-V112 WeakPolarHBondContact CA-O 3.35Å; V36-V112 HydrophobicContact CG1-CB 4.24Å; V36-V112 HydrophobicContact CG1-CG1 4.28Å; V36-V112 HydrophobicContact CG2-CB 4.08Å; V36-L114 HydrophobicContact CG1-CD1 4.48Å; V36-L114 HydrophobicContact CG1-CG 4.31Å; V36-I206 HydrophobicContact CG2-CG2 4.35Å; V36-L210 HydrophobicContact CG2-CD1 4.1Å |
| 37 | A | 95.9 | Very high | 93.5 | Very high | 18 Ų | 18 | 48.1 Ų | 48.1 | 15% | 0.149 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 153.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | A110 V112 V113 L114 | A37-A110 HydrophobicContact CB-CB 3.84Å; A37-V112 PolarHBondContact N-O 3.11Å; A37-V113 HydrophobicContact CB-CG1 4.47Å; A37-V113 HydrophobicContact CB-CG2 4.29Å; A37-V113 CarbonylContact O-C 3.57Å; A37-V113 WeakPolarHBondContact O-CA 3.43Å; A37-L114 PolarHBondContact O-N 2.89Å |
| 38 | M | 96.3 | Very high | 93.5 | Very high | 64 Ų | 64 | 45.4 Ų | 45.4 | 32% | 0.315 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 135 | 172.6 | -179.4 | 179.2 | 71 | 0 | 0 | 110.2 | C21 E22 I25 L114 E116 | C21-M38 HydrophobicContact CB-CG 4.1Å; C21-M38 HydrophobicContact CB-SD 3.27Å; C21-M38 WeakPolarHBondContact CB-SD 3.26Å; E22-M38 HydrophobicContact CG-CE 4.26Å; I25-M38 HydrophobicContact CD1-CB 3.89Å; M38-L114 CarbonylContact C-O 3.59Å; M38-L114 WeakPolarHBondContact CA-O 3.39Å; M38-L114 HydrophobicContact CB-CB 4.48Å; M38-L114 HydrophobicContact CG-CB 4.48Å; M38-E116 HydrophobicContact CG-CG 4.48Å; M38-E116 HydrophobicContact SD-CG 4.5Å |
| 39 | I | 97.5 | Very high | 93.5 | Very high | 7 Ų | 7 | 47 Ų | 47 | 4% | 0.036 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 129.9 | 177.6 | -62.3 | 174.6 | 0 | 0 | 0 | 108.7 | F44 I81 I89 V113 L114 V115 E116 | I39-F44 HydrophobicContact CG2-CE2 3.71Å; I39-F44 HydrophobicContact CG2-CZ 4.09Å; I39-I81 HydrophobicContact CD1-CD1 3.2Å; I39-I81 HydrophobicContact CD1-CG1 4.25Å; I39-I89 HydrophobicContact CD1-CD1 4.02Å; I39-I89 HydrophobicContact CD1-CG1 4.43Å; I39-I89 HydrophobicContact CG2-CD1 4.24Å; I39-I89 HydrophobicContact CG2-CG2 4.46Å; I39-V113 HydrophobicContact CD1-CG1 3.87Å; I39-V113 HydrophobicContact CG1-CG1 4.25Å; I39-L114 PolarHBondContact N-O 3.07Å; I39-V115 WeakPolarHBondContact O-CA 3.45Å; I39-E116 PolarHBondContact O-N 3.28Å |
| 40 | S | 97.7 | Very high | 93.7 | Very high | 25 Ų | 25 | 49.7 Ų | 49.7 | 18% | 0.175 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 136.5 | 175.8 | -171 | 0 | 0 | 0 | 0 | 110.9 | D42 S43 E116 | S40-D42 PolarHBondContact O-N 3.34Å; S40-D42 PolarHBondContact OG-N 3.06Å; S40-S43 WeakPolarHBondContact O-CB 3.27Å; S40-S43 PolarHBondContact O-N 2.93Å; S40-E116 CarbonylContact C-O 3.58Å; S40-E116 WeakPolarHBondContact CA-OE1 3.32Å; S40-E116 WeakPolarHBondContact CB-OE1 3.37Å; S40-E116 PolarHBondContact OG-OE1 3.34Å |
| 41 | Q | 98.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -57.9 | -29.9 | 171.2 | -177.1 | -166.9 | -109.3 | 0 | 0 | 111.8 | S43 F44 I69 M74 E116 I118 V120 | Q41-S43 PolarHBondContact O-N 3.22Å; Q41-S43 VanDerWaalsContact O-N 3.13Å; Q41-F44 WeakPolarHBondContact O-CA 3.28Å; Q41-F44 WeakPolarHBondContact O-CB 3.35Å; Q41-F44 PolarHBondContact O-N 2.79Å; Q41-I69 HydrophobicContact CG-CD1 4.19Å; Q41-M74 HydrophobicContact CB-CE 4.43Å; Q41-M74 HydrophobicContact CG-CE 4.14Å; Q41-M74 HydrophobicContact CG-SD 4Å; Q41-E116 WeakPolarHBondContact CB-O 3.43Å; Q41-E116 PolarHBondContact N-O 3.01Å; Q41-I118 VanDerWaalsContact NE2-CG1 3.3Å; Q41-V120 HydrophobicContact CB-CG1 3.93Å; Q41-V120 HydrophobicContact CG-CG1 4.39Å; Q41-V120 VanDerWaalsContact OE1-N 3.12Å |
| 42 | D | 96.3 | Very high | 94.4 | Very high | 22 Ų | 22 | 46.6 Ų | 46.6 | 12% | 0.118 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -61.2 | -25.1 | -176.6 | -69.3 | 11.9 | 0 | 0 | 0 | 111.4 | S40 F44 Y45 Y94 R155 | S40-D42 PolarHBondContact O-N 3.34Å; S40-D42 PolarHBondContact OG-N 3.06Å; D42-F44 PolarHBondContact O-N 3.04Å; D42-F44 VanDerWaalsContact O-N 3.17Å; D42-Y45 HydrophobicContact CB-CD2 4.14Å; D42-Y45 HydrophobicContact CB-CE2 3.86Å; D42-Y45 WeakPolarHBondContact O-CD2 3.27Å; D42-Y45 PolarHBondContact O-N 3.12Å; D42-Y94 HydrophobicContact CB-CE1 3.9Å; D42-Y94 VanDerWaalsContact CB-OH 3.3Å; D42-Y94 WeakPolarHBondContact CB-OH 3.45Å; D42-Y94 VanDerWaalsContact OD2-CE1 3.27Å; D42-Y94 WeakPolarHBondContact OD2-CE1 3.47Å; D42-Y94 PolarHBondContact OD2-OH 3.18Å; D42-R155 IonicContact OD2-NH2 3.37Å |
| 43 | S | 96.2 | Very high | 94.6 | Very high | 21 Ų | 21 | 50.2 Ų | 50.2 | 15% | 0.147 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -61.4 | -19.6 | 170.6 | -77.9 | 0 | 0 | 0 | 0 | 114.4 | S40 Q41 I89 P90 Q99 | S40-S43 WeakPolarHBondContact O-CB 3.27Å; S40-S43 PolarHBondContact O-N 2.93Å; Q41-S43 PolarHBondContact O-N 3.22Å; Q41-S43 VanDerWaalsContact O-N 3.13Å; S43-I89 VanDerWaalsContact CB-CG2 3.42Å; S43-I89 WeakPolarHBondContact OG-CG2 3.16Å; S43-P90 WeakPolarHBondContact CB-O 3.39Å; S43-P90 WeakPolarHBondContact O-CB 3.39Å; S43-P90 WeakPolarHBondContact O-CG 3.28Å; S43-P90 PolarHBondContact OG-O 2.86Å; S43-Q99 PolarHBondContact O-NE2 3.47Å |
| 44 | F | 96.9 | Very high | 95.1 | Very high | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.009 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -103.7 | 14.3 | -177.8 | -54.1 | -82.8 | 0 | 0 | 0 | 113 | I39 Q41 D42 R46 I69 N70 L73 M74 T77 I89 | I39-F44 HydrophobicContact CG2-CE2 3.71Å; I39-F44 HydrophobicContact CG2-CZ 4.09Å; Q41-F44 WeakPolarHBondContact O-CA 3.28Å; Q41-F44 WeakPolarHBondContact O-CB 3.35Å; Q41-F44 PolarHBondContact O-N 2.79Å; D42-F44 PolarHBondContact O-N 3.04Å; D42-F44 VanDerWaalsContact O-N 3.17Å; F44-R46 PolarHBondContact O-N 2.8Å; F44-I69 HydrophobicContact CB-CG2 4.26Å; F44-N70 WeakPolarHBondContact O-CB 3.3Å; F44-N70 PolarHBondContact O-N 2.84Å; F44-L73 HydrophobicContact CD1-CB 4.44Å; F44-L73 HydrophobicContact CD1-CD2 4.04Å; F44-L73 HydrophobicContact CD1-CG 3.89Å; F44-L73 HydrophobicContact CE1-CG 4.15Å; F44-M74 HydrophobicContact CB-CB 4.05Å; F44-M74 HydrophobicContact CB-CG 4.4Å; F44-M74 HydrophobicContact CD1-CB 3.82Å; F44-M74 HydrophobicContact CD1-CG 4.28Å; F44-M74 HydrophobicContact CD2-CB 4.22Å; F44-M74 HydrophobicContact CD2-CG 3.84Å; F44-M74 HydrophobicContact CD2-SD 4.34Å; F44-M74 HydrophobicContact CE1-CB 4.34Å; F44-M74 HydrophobicContact CE2-CG 4.13Å; F44-M74 HydrophobicContact CG-CB 3.75Å; F44-M74 HydrophobicContact CG-CG 3.91Å; F44-M74 HydrophobicContact CZ-CG 4.47Å; F44-T77 HydrophobicContact CE1-CG2 4.24Å; F44-T77 WeakPolarHBondContact CE1-OG1 3.43Å; F44-T77 HydrophobicContact CZ-CG2 3.96Å; F44-I89 HydrophobicContact CZ-CD1 3.99Å; F44-I89 HydrophobicContact CZ-CG2 4.34Å |
| 45 | Y | 96.9 | Very high | 95.6 | Very high | 16 Ų | 16 | 49.3 Ų | 49.3 | 6% | 0.063 | 24% | 0.242 | C | C | . | . | B | Isolated β-bridge | trans | -55.5 | 131.3 | 163.1 | -79.7 | -53.8 | 0 | 0 | 0 | 110 | D42 F63 A68 I69 Y92 Q99 | D42-Y45 HydrophobicContact CB-CD2 4.14Å; D42-Y45 HydrophobicContact CB-CE2 3.86Å; D42-Y45 WeakPolarHBondContact O-CD2 3.27Å; D42-Y45 PolarHBondContact O-N 3.12Å; Y45-F63 HydrophobicContact CD1-CD1 4.11Å; Y45-F63 HydrophobicContact CE1-CB 4Å; Y45-F63 HydrophobicContact CE1-CD1 4.04Å; Y45-F63 WeakPolarHBondContact CE1-O 3.36Å; Y45-F63 HydrophobicContact CG-CD1 4.5Å; Y45-F63 PolarHBondContact OH-O 3.12Å; Y45-F63 VanDerWaalsContact OH-O 3.07Å; Y45-A68 WeakPolarHBondContact CA-O 3.43Å; Y45-A68 HydrophobicContact CD1-CB 4.07Å; Y45-A68 WeakPolarHBondContact CD1-O 3.4Å; Y45-A68 HydrophobicContact CE1-CB 4.07Å; Y45-I69 HydrophobicContact CD1-CD1 3.78Å; Y45-I69 HydrophobicContact CE1-CD1 3.61Å; Y45-Y92 AromaticContact CD2-CD1 3.99Å; Y45-Y92 HydrophobicContact CD2-CD1 3.99Å; Y45-Y92 HydrophobicContact CD2-CD2 4.26Å; Y45-Y92 AromaticContact CD2-CE1 3.6Å; Y45-Y92 HydrophobicContact CD2-CE1 3.6Å; Y45-Y92 AromaticContact CD2-CE2 3.92Å; Y45-Y92 HydrophobicContact CD2-CE2 3.92Å; Y45-Y92 HydrophobicContact CD2-CG 4.3Å; Y45-Y92 AromaticContact CD2-CZ 3.56Å; Y45-Y92 HydrophobicContact CE2-CE1 4.24Å; Y45-Y92 HydrophobicContact CG-CE1 4.45Å; Y45-Y92 HydrophobicContact CG-CE2 4.02Å; Y45-Y92 AromaticContact CG-CZ 3.97Å; Y45-Q99 PolarHBondContact O-NE2 3.47Å |
| 46 | R | 95 | Very high | 95.6 | Very high | 66 Ų | 66 | 46.5 Ų | 46.5 | 25% | 0.249 | 23% | 0.229 | C | C | . | . | P | Polyproline II helix | trans | -71.8 | 159.5 | 178.7 | 69.4 | 174.8 | 174.1 | 76.9 | -0.9 | 111 | F44 L48 E52 N67 A68 N70 | F44-R46 PolarHBondContact O-N 2.8Å; R46-L48 PolarHBondContact O-N 3.39Å; R46-E52 IonicContact CZ-OE1 3.2Å; R46-E52 IonicContact CZ-OE2 2.56Å; R46-E52 IonicContact NH1-OE1 3.36Å; R46-E52 IonicContact NH1-OE2 2.76Å; R46-E52 PolarHBondContact NH1-OE2 2.99Å; R46-E52 IonicContact NH2-OE1 3.67Å; R46-E52 PolarHBondContact NH2-OE1 2.97Å; R46-E52 IonicContact NH2-OE2 2.65Å; R46-E52 PolarHBondContact NH2-OE2 3.41Å; R46-N67 WeakPolarHBondContact CD-O 3.41Å; R46-N67 PolarHBondContact NE-O 2.84Å; R46-A68 PolarHBondContact N-O 3.3Å; R46-N70 HydrophobicContact CB-CB 4.15Å |
| 47 | Q | 92.6 | Very high | 95.3 | Very high | 105 Ų | 105 | 50 Ų | 50 | 49% | 0.491 | 25% | 0.247 | S | C | . | . | P | Polyproline II helix | trans | -60 | 133.4 | 166.2 | -70.8 | -72.2 | -25 | 0 | 0 | 109.7 | ||
| 48 | L | 94.2 | Very high | 95.1 | Very high | 23 Ų | 23 | 52.2 Ų | 52.2 | 12% | 0.12 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -87.9 | 147.4 | 177.6 | -60.2 | -172.6 | 0 | 0 | 0 | 110 | R46 E52 R53 A56 F61 F63 H97 | R46-L48 PolarHBondContact O-N 3.39Å; L48-E52 HydrophobicContact CB-CB 3.89Å; L48-E52 HydrophobicContact CD2-CB 4.35Å; L48-E52 HydrophobicContact CG-CB 4.49Å; L48-R53 HydrophobicContact CB-CB 4.44Å; L48-A56 HydrophobicContact CD1-CB 3.82Å; L48-F61 HydrophobicContact CD1-CE1 4.5Å; L48-F61 HydrophobicContact CD2-CE1 3.76Å; L48-F61 HydrophobicContact CD2-CE2 3.96Å; L48-F61 HydrophobicContact CD2-CZ 3.43Å; L48-F61 VanDerWaalsContact CD2-CZ 3.43Å; L48-F63 HydrophobicContact CD1-CE1 4.07Å; L48-F63 HydrophobicContact CD1-CZ 4Å; L48-H97 HydrophobicContact CD1-CB 4.47Å |
| 49 | S | 94.5 | Very high | 94.8 | Very high | 47 Ų | 47 | 49.1 Ų | 49.1 | 33% | 0.329 | 25% | 0.245 | S | C | . | . | P | Polyproline II helix | trans | -65.7 | 170.4 | 165.1 | 86.9 | 0 | 0 | 0 | 0 | 111.1 | E51 E52 R53 | S49-E51 VanDerWaalsContact C-N 3.3Å; S49-E51 VanDerWaalsContact CB-OE2 3.31Å; S49-E51 WeakPolarHBondContact CB-OE2 3.49Å; S49-E51 PolarHBondContact O-N 2.83Å; S49-E51 PolarHBondContact OG-N 3.44Å; S49-E51 PolarHBondContact OG-OE2 2.94Å; S49-E52 PolarHBondContact N-OE2 2.99Å; S49-E52 PolarHBondContact O-N 3.3Å; S49-E52 WeakPolarHBondContact OG-CG 3.39Å; S49-E52 PolarHBondContact OG-N 3.07Å; S49-R53 WeakPolarHBondContact O-CB 3.46Å; S49-R53 PolarHBondContact O-N 2.9Å |
| 50 | E | 94 | Very high | 94.6 | Very high | 89 Ų | 89 | 54.1 Ų | 54.1 | 42% | 0.416 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -58.1 | -45.7 | 175.1 | -172.8 | 60.7 | -136.7 | 0 | 0 | 111.5 | R53 Q54 | E50-R53 PolarHBondContact O-N 2.59Å; E50-R53 IonicContact OE1-CZ 2.76Å; E50-R53 IonicContact OE1-NE 2.77Å; E50-R53 IonicContact OE1-NH2 3.96Å; E50-R53 PolarHBondContact OE1-NH2 3.09Å; E50-R53 IonicContact OE2-CZ 3.04Å; E50-R53 IonicContact OE2-NH1 3.99Å; E50-R53 PolarHBondContact OE2-NH1 3.39Å; E50-R53 IonicContact OE2-NH2 3.84Å; E50-R53 PolarHBondContact OE2-NH2 3.23Å; E50-Q54 WeakPolarHBondContact O-CG 3.47Å; E50-Q54 PolarHBondContact O-N 3.2Å |
| 51 | E | 96 | Very high | 94.5 | Very high | 121 Ų | 121 | 54 Ų | 54 | 57% | 0.565 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -64.3 | -43.8 | -180 | -55.7 | 75 | -161.2 | 0 | 0 | 110.9 | S49 R53 Q54 L55 | S49-E51 VanDerWaalsContact C-N 3.3Å; S49-E51 VanDerWaalsContact CB-OE2 3.31Å; S49-E51 WeakPolarHBondContact CB-OE2 3.49Å; S49-E51 PolarHBondContact O-N 2.83Å; S49-E51 PolarHBondContact OG-N 3.44Å; S49-E51 PolarHBondContact OG-OE2 2.94Å; E51-R53 VanDerWaalsContact C-N 3.32Å; E51-R53 PolarHBondContact O-N 3.25Å; E51-Q54 PolarHBondContact O-N 2.83Å; E51-L55 WeakPolarHBondContact O-CG 3.46Å; E51-L55 PolarHBondContact O-N 2.74Å |
| 52 | E | 96.5 | Very high | 94.5 | Very high | 46 Ų | 46 | 55.8 Ų | 55.8 | 22% | 0.215 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.8 | -36.2 | 177 | -69.3 | 178.8 | 140.5 | 0 | 0 | 112.1 | R46 L48 S49 L55 A56 F61 | R46-E52 IonicContact CZ-OE1 3.2Å; R46-E52 IonicContact CZ-OE2 2.56Å; R46-E52 IonicContact NH1-OE1 3.36Å; R46-E52 IonicContact NH1-OE2 2.76Å; R46-E52 PolarHBondContact NH1-OE2 2.99Å; R46-E52 IonicContact NH2-OE1 3.67Å; R46-E52 PolarHBondContact NH2-OE1 2.97Å; R46-E52 IonicContact NH2-OE2 2.65Å; R46-E52 PolarHBondContact NH2-OE2 3.41Å; L48-E52 HydrophobicContact CB-CB 3.89Å; L48-E52 HydrophobicContact CD2-CB 4.35Å; L48-E52 HydrophobicContact CG-CB 4.49Å; S49-E52 PolarHBondContact N-OE2 2.99Å; S49-E52 PolarHBondContact O-N 3.3Å; S49-E52 WeakPolarHBondContact OG-CG 3.39Å; S49-E52 PolarHBondContact OG-N 3.07Å; E52-L55 PolarHBondContact O-N 2.95Å; E52-A56 WeakPolarHBondContact O-CB 3.42Å; E52-A56 PolarHBondContact O-N 3.23Å; E52-F61 HydrophobicContact CB-CD2 4.06Å; E52-F61 HydrophobicContact CB-CE2 3.89Å; E52-F61 HydrophobicContact CG-CD2 4.31Å; E52-F61 HydrophobicContact CG-CE2 3.89Å |
| 53 | R | 94.2 | Very high | 94.5 | Very high | 94 Ų | 94 | 55.4 Ų | 55.4 | 36% | 0.355 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -66.3 | -39.2 | 175.5 | -169 | 172.7 | 69.9 | -130.5 | 7.8 | 111.5 | L48 S49 E50 E51 L55 A56 N57 | L48-R53 HydrophobicContact CB-CB 4.44Å; S49-R53 WeakPolarHBondContact O-CB 3.46Å; S49-R53 PolarHBondContact O-N 2.9Å; E50-R53 PolarHBondContact O-N 2.59Å; E50-R53 IonicContact OE1-CZ 2.76Å; E50-R53 IonicContact OE1-NE 2.77Å; E50-R53 IonicContact OE1-NH2 3.96Å; E50-R53 PolarHBondContact OE1-NH2 3.09Å; E50-R53 IonicContact OE2-CZ 3.04Å; E50-R53 IonicContact OE2-NH1 3.99Å; E50-R53 PolarHBondContact OE2-NH1 3.39Å; E50-R53 IonicContact OE2-NH2 3.84Å; E50-R53 PolarHBondContact OE2-NH2 3.23Å; E51-R53 VanDerWaalsContact C-N 3.32Å; E51-R53 PolarHBondContact O-N 3.25Å; R53-L55 VanDerWaalsContact C-N 3.35Å; R53-A56 PolarHBondContact O-N 3.36Å; R53-N57 WeakPolarHBondContact O-CB 3.26Å; R53-N57 PolarHBondContact O-N 3.06Å; R53-N57 PolarHBondContact O-ND2 3.41Å |
| 54 | Q | 94.2 | Very high | 94.6 | Very high | 117 Ų | 117 | 55.1 Ų | 55.1 | 55% | 0.547 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62 | -43 | 172.7 | -69 | 171.3 | 14.1 | 0 | 0 | 111.5 | E50 E51 C58 | E50-Q54 WeakPolarHBondContact O-CG 3.47Å; E50-Q54 PolarHBondContact O-N 3.2Å; E51-Q54 PolarHBondContact O-N 2.83Å; Q54-C58 PolarHBondContact O-N 2.86Å; Q54-C58 PolarHBondContact O-SG 2.82Å |
| 55 | L | 95 | Very high | 94.7 | Very high | 79 Ų | 79 | 57.9 Ų | 57.9 | 41% | 0.414 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.9 | -43 | 173.5 | -68.7 | 173.7 | 0 | 0 | 0 | 111.9 | E51 E52 R53 C58 G59 K60 F61 | E51-L55 WeakPolarHBondContact O-CG 3.46Å; E51-L55 PolarHBondContact O-N 2.74Å; E52-L55 PolarHBondContact O-N 2.95Å; R53-L55 VanDerWaalsContact C-N 3.35Å; L55-C58 CarbonylContact O-C 3.59Å; L55-C58 PolarHBondContact O-N 3.42Å; L55-C58 PolarHBondContact O-SG 3.2Å; L55-G59 PolarHBondContact O-N 3.04Å; L55-G59 VanDerWaalsContact O-N 3.14Å; L55-K60 HydrophobicContact CB-CB 4.4Å; L55-K60 HydrophobicContact CD2-CB 4Å; L55-K60 WeakPolarHBondContact O-CA 3.27Å; L55-K60 PolarHBondContact O-N 2.77Å; L55-F61 HydrophobicContact CB-CB 4.26Å |
| 56 | A | 93.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.7 | -47.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L48 E52 R53 C58 G59 F61 F63 H97 | L48-A56 HydrophobicContact CD1-CB 3.82Å; E52-A56 WeakPolarHBondContact O-CB 3.42Å; E52-A56 PolarHBondContact O-N 3.23Å; R53-A56 PolarHBondContact O-N 3.36Å; A56-C58 VanDerWaalsContact C-N 3.26Å; A56-C58 PolarHBondContact O-N 3.12Å; A56-G59 WeakPolarHBondContact O-CA 3.44Å; A56-G59 PolarHBondContact O-N 2.76Å; A56-F61 HydrophobicContact CB-CB 3.87Å; A56-F61 HydrophobicContact CB-CG 4.4Å; A56-F63 HydrophobicContact CB-CE2 3.91Å; A56-F63 HydrophobicContact CB-CZ 3.63Å; A56-H97 HydrophobicContact CB-CB 4.16Å |
| 57 | N | 90.8 | Very high | 94.9 | Very high | 89 Ų | 89 | 59.9 Ų | 59.9 | 48% | 0.476 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61 | -33.6 | -179.8 | -70.8 | -14.6 | 0 | 0 | 0 | 112.7 | R53 G59 Q161 | R53-N57 WeakPolarHBondContact O-CB 3.26Å; R53-N57 PolarHBondContact O-N 3.06Å; R53-N57 PolarHBondContact O-ND2 3.41Å; N57-G59 VanDerWaalsContact C-N 3.34Å; N57-Q161 PolarHBondContact O-NE2 3.4Å; N57-Q161 VanDerWaalsContact O-NE2 3.15Å |
| 58 | C | 90.8 | Very high | 95.1 | Very high | 63 Ų | 63 | 55 Ų | 55 | 43% | 0.426 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 9.1 | 173.9 | 68.1 | 0 | 0 | 0 | 0 | 114.2 | Q54 L55 A56 K60 | Q54-C58 PolarHBondContact O-N 2.86Å; Q54-C58 PolarHBondContact O-SG 2.82Å; L55-C58 CarbonylContact O-C 3.59Å; L55-C58 PolarHBondContact O-N 3.42Å; L55-C58 PolarHBondContact O-SG 3.2Å; A56-C58 VanDerWaalsContact C-N 3.26Å; A56-C58 PolarHBondContact O-N 3.12Å; C58-K60 VanDerWaalsContact C-N 3.34Å; C58-K60 PolarHBondContact O-N 2.75Å |
| 59 | G | 89.9 | Confident | 95.3 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.9 | 19.3 | 176 | 0 | 0 | 0 | 0 | 0 | 115.1 | L55 A56 N57 Q161 Q165 Y169 | L55-G59 PolarHBondContact O-N 3.04Å; L55-G59 VanDerWaalsContact O-N 3.14Å; A56-G59 WeakPolarHBondContact O-CA 3.44Å; A56-G59 PolarHBondContact O-N 2.76Å; N57-G59 VanDerWaalsContact C-N 3.34Å; G59-Q161 VanDerWaalsContact CA-NE2 3.27Å; G59-Q165 WeakPolarHBondContact O-CG 3.42Å; G59-Y169 WeakPolarHBondContact O-CE2 3.49Å |
| 60 | K | 93.8 | Very high | 95.4 | Very high | 111 Ų | 111 | 54.6 Ų | 54.6 | 48% | 0.483 | 27% | 0.269 | S | S | . | . | trans | -107.4 | 18.8 | -177 | -61 | -177.1 | -175.2 | 176.3 | 0 | 113.7 | L55 C58 Y169 | L55-K60 HydrophobicContact CB-CB 4.4Å; L55-K60 HydrophobicContact CD2-CB 4Å; L55-K60 WeakPolarHBondContact O-CA 3.27Å; L55-K60 PolarHBondContact O-N 2.77Å; C58-K60 VanDerWaalsContact C-N 3.34Å; C58-K60 PolarHBondContact O-N 2.75Å; K60-Y169 PolarHBondContact O-OH 3.36Å | ||
| 61 | F | 95.7 | Very high | 95.6 | Very high | 22 Ų | 22 | 51.4 Ų | 51.4 | 10% | 0.096 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -111.4 | 135.7 | 174.4 | -173.6 | -93.3 | 0 | 0 | 0 | 111 | L48 E52 L55 A56 F63 A68 | L48-F61 HydrophobicContact CD1-CE1 4.5Å; L48-F61 HydrophobicContact CD2-CE1 3.76Å; L48-F61 HydrophobicContact CD2-CE2 3.96Å; L48-F61 HydrophobicContact CD2-CZ 3.43Å; L48-F61 VanDerWaalsContact CD2-CZ 3.43Å; E52-F61 HydrophobicContact CB-CD2 4.06Å; E52-F61 HydrophobicContact CB-CE2 3.89Å; E52-F61 HydrophobicContact CG-CD2 4.31Å; E52-F61 HydrophobicContact CG-CE2 3.89Å; L55-F61 HydrophobicContact CB-CB 4.26Å; A56-F61 HydrophobicContact CB-CB 3.87Å; A56-F61 HydrophobicContact CB-CG 4.4Å; F61-F63 HydrophobicContact CB-CE2 4.18Å; F61-F63 AromaticContact CD1-CD1 3.8Å; F61-F63 HydrophobicContact CD1-CD1 3.8Å; F61-F63 AromaticContact CD1-CD2 3.76Å; F61-F63 HydrophobicContact CD1-CD2 3.76Å; F61-F63 AromaticContact CD1-CE1 3.68Å; F61-F63 HydrophobicContact CD1-CE1 3.68Å; F61-F63 AromaticContact CD1-CE2 3.65Å; F61-F63 HydrophobicContact CD1-CE2 3.65Å; F61-F63 AromaticContact CD1-CG 3.82Å; F61-F63 HydrophobicContact CD1-CG 3.82Å; F61-F63 AromaticContact CD1-CZ 3.59Å; F61-F63 HydrophobicContact CD1-CZ 3.59Å; F61-F63 AromaticContact CE1-CD1 3.81Å; F61-F63 HydrophobicContact CE1-CD1 3.81Å; F61-F63 AromaticContact CE1-CE1 3.83Å; F61-F63 HydrophobicContact CE1-CE1 3.83Å; F61-F63 HydrophobicContact CE1-CG 4.18Å; F61-F63 HydrophobicContact CE1-CZ 4.21Å; F61-F63 HydrophobicContact CG-CE2 4.36Å; F61-F63 HydrophobicContact CG-CZ 4.39Å; F61-F63 PolarHBondContact O-N 2.88Å; F61-A68 HydrophobicContact CE1-CB 4.14Å; F61-A68 HydrophobicContact CZ-CB 4.49Å |
| 62 | N | 96.7 | Very high | 95.7 | Very high | 39 Ų | 39 | 50.1 Ų | 50.1 | 21% | 0.209 | 26% | 0.257 | C | S | . | . | trans | -90.7 | 90.2 | -179.7 | -168.9 | -6.4 | 0 | 0 | 0 | 111.3 | D64 H65 Y169 | N62-D64 PolarHBondContact O-N 3.37Å; N62-D64 WeakPolarHBondContact OD1-CA 3.42Å; N62-D64 PolarHBondContact OD1-N 3.46Å; N62-H65 HydrophobicContact CB-CB 4.19Å; N62-H65 PolarHBondContact O-N 3Å; N62-H65 PolarHBondContact OD1-N 3.16Å; N62-Y169 HydrophobicContact CB-CD1 3.65Å; N62-Y169 HydrophobicContact CB-CE1 4.33Å; N62-Y169 HydrophobicContact CB-CG 4.1Å | ||
| 63 | F | 96.9 | Very high | 95.8 | Very high | 13 Ų | 13 | 49.6 Ų | 49.6 | 6% | 0.057 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -12.2 | 172.8 | -70.2 | -78.2 | 0 | 0 | 0 | 113.5 | Y45 L48 A56 F61 Y92 H97 | Y45-F63 HydrophobicContact CD1-CD1 4.11Å; Y45-F63 HydrophobicContact CE1-CB 4Å; Y45-F63 HydrophobicContact CE1-CD1 4.04Å; Y45-F63 WeakPolarHBondContact CE1-O 3.36Å; Y45-F63 HydrophobicContact CG-CD1 4.5Å; Y45-F63 PolarHBondContact OH-O 3.12Å; Y45-F63 VanDerWaalsContact OH-O 3.07Å; L48-F63 HydrophobicContact CD1-CE1 4.07Å; L48-F63 HydrophobicContact CD1-CZ 4Å; A56-F63 HydrophobicContact CB-CE2 3.91Å; A56-F63 HydrophobicContact CB-CZ 3.63Å; F61-F63 HydrophobicContact CB-CE2 4.18Å; F61-F63 AromaticContact CD1-CD1 3.8Å; F61-F63 HydrophobicContact CD1-CD1 3.8Å; F61-F63 AromaticContact CD1-CD2 3.76Å; F61-F63 HydrophobicContact CD1-CD2 3.76Å; F61-F63 AromaticContact CD1-CE1 3.68Å; F61-F63 HydrophobicContact CD1-CE1 3.68Å; F61-F63 AromaticContact CD1-CE2 3.65Å; F61-F63 HydrophobicContact CD1-CE2 3.65Å; F61-F63 AromaticContact CD1-CG 3.82Å; F61-F63 HydrophobicContact CD1-CG 3.82Å; F61-F63 AromaticContact CD1-CZ 3.59Å; F61-F63 HydrophobicContact CD1-CZ 3.59Å; F61-F63 AromaticContact CE1-CD1 3.81Å; F61-F63 HydrophobicContact CE1-CD1 3.81Å; F61-F63 AromaticContact CE1-CE1 3.83Å; F61-F63 HydrophobicContact CE1-CE1 3.83Å; F61-F63 HydrophobicContact CE1-CG 4.18Å; F61-F63 HydrophobicContact CE1-CZ 4.21Å; F61-F63 HydrophobicContact CG-CE2 4.36Å; F61-F63 HydrophobicContact CG-CZ 4.39Å; F61-F63 PolarHBondContact O-N 2.88Å; F63-Y92 WeakPolarHBondContact CE1-OH 3.38Å; F63-H97 HydrophobicContact CE1-CB 4.42Å; F63-H97 AromaticContact CE2-CE1 3.61Å; F63-H97 AromaticContact CE2-ND1 3.35Å; F63-H97 WeakPolarHBondContact CE2-ND1 3.44Å; F63-H97 HydrophobicContact CZ-CB 3.84Å; F63-H97 AromaticContact CZ-CE1 3.89Å; F63-H97 AromaticContact CZ-CG 3.67Å; F63-H97 AromaticContact CZ-ND1 3.15Å; F63-H97 WeakPolarHBondContact CZ-ND1 3.34Å |
| 64 | D | 98.1 | Very high | 96 | Very high | 16 Ų | 16 | 45.1 Ų | 45.1 | 9% | 0.086 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95 | -3 | -178.6 | -60.7 | -108.3 | 0 | 0 | 0 | 111.6 | N62 I118 A173 | N62-D64 PolarHBondContact O-N 3.37Å; N62-D64 WeakPolarHBondContact OD1-CA 3.42Å; N62-D64 PolarHBondContact OD1-N 3.46Å; D64-I118 HydrophobicContact CB-CD1 3.93Å; D64-I118 WeakPolarHBondContact OD1-CD1 3.4Å; D64-A173 HydrophobicContact CB-CB 3.44Å; D64-A173 VanDerWaalsContact CB-CB 3.44Å |
| 65 | H | 98.6 | Very high | 96.2 | Very high | 60 Ų | 60 | 40.1 Ų | 40.1 | 28% | 0.278 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -80.1 | 141.1 | 173.9 | -169.5 | -86.7 | 0 | 0 | 0 | 111.3 | N62 N67 A68 F177 | N62-H65 HydrophobicContact CB-CB 4.19Å; N62-H65 PolarHBondContact O-N 3Å; N62-H65 PolarHBondContact OD1-N 3.16Å; H65-N67 VanDerWaalsContact CE1-CG 3.41Å; H65-N67 PolarHBondContact CE1-ND2 2.96Å; H65-N67 WeakPolarHBondContact ND1-CB 3.41Å; H65-N67 PolarHBondContact ND1-N 3.44Å; H65-N67 PolarHBondContact O-N 3.45Å; H65-N67 VanDerWaalsContact O-N 3.09Å; H65-A68 VanDerWaalsContact O-CB 3.3Å; H65-A68 WeakPolarHBondContact O-CB 3.35Å; H65-A68 PolarHBondContact O-N 3.09Å; H65-F177 AromaticContact CD2-CE2 3.57Å; H65-F177 AromaticContact CD2-CZ 3.54Å; H65-F177 AromaticContact NE2-CZ 3.75Å |
| 66 | P | 98.6 | Very high | 96.3 | Very high | 9 Ų | 9 | 42.2 Ų | 42.2 | 6% | 0.058 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -51 | -36.6 | 178.8 | -30.8 | 35.8 | 0 | 0 | 0 | 115.2 | A68 I69 L119 Y122 F123 F177 | P66-A68 PolarHBondContact O-N 3.44Å; P66-A68 VanDerWaalsContact O-N 3.15Å; P66-I69 PolarHBondContact O-N 2.87Å; P66-L119 HydrophobicContact CB-CD1 4.44Å; P66-L119 HydrophobicContact CG-CD1 4.18Å; P66-Y122 HydrophobicContact CB-CD1 4.2Å; P66-Y122 HydrophobicContact CB-CE1 3.7Å; P66-Y122 HydrophobicContact CG-CD1 3.88Å; P66-Y122 HydrophobicContact CG-CE1 3.31Å; P66-F123 HydrophobicContact CB-CE1 3.91Å; P66-F123 HydrophobicContact CB-CZ 3.79Å; P66-F177 HydrophobicContact CG-CB 4.41Å; P66-F177 HydrophobicContact CG-CD1 3.8Å; P66-F177 HydrophobicContact CG-CD2 4.34Å; P66-F177 HydrophobicContact CG-CE1 4.12Å; P66-F177 HydrophobicContact CG-CG 3.92Å |
| 67 | N | 97.8 | Very high | 96.6 | Very high | 114 Ų | 114 | 42.7 Ų | 42.7 | 61% | 0.61 | 23% | 0.226 | S | C | * | . | G | 310 helix | trans | -65.2 | -11.5 | 177.5 | -63.8 | -3.7 | 0 | 0 | 0 | 114.6 | R46 H65 I69 | R46-N67 WeakPolarHBondContact CD-O 3.41Å; R46-N67 PolarHBondContact NE-O 2.84Å; H65-N67 VanDerWaalsContact CE1-CG 3.41Å; H65-N67 PolarHBondContact CE1-ND2 2.96Å; H65-N67 WeakPolarHBondContact ND1-CB 3.41Å; H65-N67 PolarHBondContact ND1-N 3.44Å; H65-N67 PolarHBondContact O-N 3.45Å; H65-N67 VanDerWaalsContact O-N 3.09Å; N67-I69 VanDerWaalsContact C-N 3.26Å |
| 68 | A | 97.5 | Very high | 96.9 | Very high | 3 Ų | 3 | 38.6 Ų | 38.6 | 3% | 0.025 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -76.9 | -15.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y45 R46 F61 H65 P66 | Y45-A68 WeakPolarHBondContact CA-O 3.43Å; Y45-A68 HydrophobicContact CD1-CB 4.07Å; Y45-A68 WeakPolarHBondContact CD1-O 3.4Å; Y45-A68 HydrophobicContact CE1-CB 4.07Å; R46-A68 PolarHBondContact N-O 3.3Å; F61-A68 HydrophobicContact CE1-CB 4.14Å; F61-A68 HydrophobicContact CZ-CB 4.49Å; H65-A68 VanDerWaalsContact O-CB 3.3Å; H65-A68 WeakPolarHBondContact O-CB 3.35Å; H65-A68 PolarHBondContact O-N 3.09Å; P66-A68 PolarHBondContact O-N 3.44Å; P66-A68 VanDerWaalsContact O-N 3.15Å |
| 69 | I | 98 | Very high | 97.3 | Very high | 9 Ų | 9 | 41.8 Ų | 41.8 | 5% | 0.046 | 21% | 0.208 | C | C | . | . | B | Isolated β-bridge | trans | -95 | 134.5 | -176.5 | -50 | -57 | 0 | 0 | 0 | 110.6 | Q41 F44 Y45 P66 N67 V71 M74 L119 F123 | Q41-I69 HydrophobicContact CG-CD1 4.19Å; F44-I69 HydrophobicContact CB-CG2 4.26Å; Y45-I69 HydrophobicContact CD1-CD1 3.78Å; Y45-I69 HydrophobicContact CE1-CD1 3.61Å; P66-I69 PolarHBondContact O-N 2.87Å; N67-I69 VanDerWaalsContact C-N 3.26Å; I69-V71 HydrophobicContact CB-CG2 4.2Å; I69-V71 HydrophobicContact CG2-CG2 4.22Å; I69-V71 PolarHBondContact O-N 2.99Å; I69-M74 HydrophobicContact CG2-SD 4.17Å; I69-L119 HydrophobicContact CG1-CD1 4.24Å; I69-F123 HydrophobicContact CB-CE2 4.39Å; I69-F123 HydrophobicContact CB-CZ 4.31Å; I69-F123 HydrophobicContact CG1-CE2 4.38Å; I69-F123 HydrophobicContact CG1-CZ 4.45Å; I69-F123 HydrophobicContact CG2-CE2 4.44Å |
| 70 | N | 97.3 | Very high | 97.7 | Very high | 53 Ų | 53 | 43.1 Ų | 43.1 | 28% | 0.283 | 22% | 0.217 | S | C | . | . | trans | -76.8 | 76.9 | 164.7 | -171.4 | -15.8 | 0 | 0 | 0 | 109.5 | F44 R46 P72 L73 M74 | F44-N70 WeakPolarHBondContact O-CB 3.3Å; F44-N70 PolarHBondContact O-N 2.84Å; R46-N70 HydrophobicContact CB-CB 4.15Å; N70-P72 WeakPolarHBondContact OD1-CD 3.28Å; N70-L73 HydrophobicContact CB-CB 4.22Å; N70-L73 VanDerWaalsContact CG-CB 3.48Å; N70-L73 PolarHBondContact O-N 2.82Å; N70-L73 WeakPolarHBondContact OD1-CB 3.38Å; N70-L73 PolarHBondContact OD1-N 3.33Å; N70-M74 PolarHBondContact O-N 3.46Å | ||
| 71 | V | 98.1 | Very high | 97.9 | Very high | 21 Ų | 21 | 38.1 Ų | 38.1 | 13% | 0.127 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57.6 | -43.2 | -177.9 | -174.4 | 0 | 0 | 0 | 0 | 112.5 | I69 L73 M74 L75 F123 E125 I126 | I69-V71 HydrophobicContact CB-CG2 4.2Å; I69-V71 HydrophobicContact CG2-CG2 4.22Å; I69-V71 PolarHBondContact O-N 2.99Å; V71-L73 PolarHBondContact O-N 2.83Å; V71-M74 PolarHBondContact O-N 2.92Å; V71-L75 VanDerWaalsContact O-CB 3.25Å; V71-L75 WeakPolarHBondContact O-CB 3.35Å; V71-L75 PolarHBondContact O-N 2.83Å; V71-F123 HydrophobicContact CG1-CD1 4.01Å; V71-F123 HydrophobicContact CG1-CE1 4.37Å; V71-F123 HydrophobicContact CG1-CG 4.15Å; V71-F123 HydrophobicContact CG2-CD1 3.87Å; V71-F123 HydrophobicContact CG2-CD2 4.41Å; V71-F123 HydrophobicContact CG2-CE1 3.36Å; V71-F123 HydrophobicContact CG2-CE2 3.97Å; V71-F123 HydrophobicContact CG2-CG 4.36Å; V71-F123 HydrophobicContact CG2-CZ 3.41Å; V71-F123 VanDerWaalsContact CG2-CZ 3.41Å; V71-E125 WeakPolarHBondContact CG1-OE1 3.43Å; V71-I126 HydrophobicContact CG1-CD1 4.03Å |
| 72 | P | 98.1 | Very high | 97.9 | Very high | 94 Ų | 94 | 39.2 Ų | 39.2 | 61% | 0.61 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -56.7 | -47.1 | 176.6 | -27.5 | 36.5 | 0 | 0 | 0 | 113.3 | N70 L75 E76 | N70-P72 WeakPolarHBondContact OD1-CD 3.28Å; P72-L75 PolarHBondContact O-N 3.26Å; P72-E76 WeakPolarHBondContact O-CB 3.41Å; P72-E76 PolarHBondContact O-N 3.01Å |
| 73 | L | 97.2 | Very high | 97.9 | Very high | 36 Ų | 36 | 39.9 Ų | 39.9 | 19% | 0.188 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.6 | -45.2 | 178 | 178.2 | 62.9 | 0 | 0 | 0 | 111.5 | F44 N70 V71 E76 T77 P90 W104 | F44-L73 HydrophobicContact CD1-CB 4.44Å; F44-L73 HydrophobicContact CD1-CD2 4.04Å; F44-L73 HydrophobicContact CD1-CG 3.89Å; F44-L73 HydrophobicContact CE1-CG 4.15Å; N70-L73 HydrophobicContact CB-CB 4.22Å; N70-L73 VanDerWaalsContact CG-CB 3.48Å; N70-L73 PolarHBondContact O-N 2.82Å; N70-L73 WeakPolarHBondContact OD1-CB 3.38Å; N70-L73 PolarHBondContact OD1-N 3.33Å; V71-L73 PolarHBondContact O-N 2.83Å; L73-E76 PolarHBondContact O-N 3.15Å; L73-T77 WeakPolarHBondContact O-CB 3.24Å; L73-T77 PolarHBondContact O-N 3.17Å; L73-T77 PolarHBondContact O-OG1 3.04Å; L73-P90 HydrophobicContact CD2-CG 3.91Å; L73-W104 HydrophobicContact CD2-CH2 4.46Å |
| 74 | M | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.1 | -44.3 | 178.7 | -170.3 | -177.8 | 168.2 | 0 | 0 | 111.6 | Q41 F44 I69 N70 V71 T77 V78 V115 V120 I126 | Q41-M74 HydrophobicContact CB-CE 4.43Å; Q41-M74 HydrophobicContact CG-CE 4.14Å; Q41-M74 HydrophobicContact CG-SD 4Å; F44-M74 HydrophobicContact CB-CB 4.05Å; F44-M74 HydrophobicContact CB-CG 4.4Å; F44-M74 HydrophobicContact CD1-CB 3.82Å; F44-M74 HydrophobicContact CD1-CG 4.28Å; F44-M74 HydrophobicContact CD2-CB 4.22Å; F44-M74 HydrophobicContact CD2-CG 3.84Å; F44-M74 HydrophobicContact CD2-SD 4.34Å; F44-M74 HydrophobicContact CE1-CB 4.34Å; F44-M74 HydrophobicContact CE2-CG 4.13Å; F44-M74 HydrophobicContact CG-CB 3.75Å; F44-M74 HydrophobicContact CG-CG 3.91Å; F44-M74 HydrophobicContact CZ-CG 4.47Å; I69-M74 HydrophobicContact CG2-SD 4.17Å; N70-M74 PolarHBondContact O-N 3.46Å; V71-M74 PolarHBondContact O-N 2.92Å; M74-T77 PolarHBondContact O-N 2.97Å; M74-V78 WeakPolarHBondContact O-CG2 3.32Å; M74-V78 PolarHBondContact O-N 3.19Å; M74-V115 HydrophobicContact CE-CG1 4.14Å; M74-V120 HydrophobicContact CE-CB 4.34Å; M74-V120 HydrophobicContact CE-CG1 3.79Å; M74-I126 HydrophobicContact CB-CD1 4.08Å; M74-I126 HydrophobicContact CE-CD1 4.19Å; M74-I126 HydrophobicContact CE-CG2 4.08Å; M74-I126 HydrophobicContact CG-CD1 3.87Å; M74-I126 HydrophobicContact SD-CD1 3.75Å |
| 75 | L | 98.6 | Very high | 97.8 | Very high | 11 Ų | 11 | 46.9 Ų | 46.9 | 6% | 0.058 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.7 | -47 | 177.9 | 177.6 | 65.7 | 0 | 0 | 0 | 112 | V71 P72 T77 V78 R79 E125 I126 L129 | V71-L75 VanDerWaalsContact O-CB 3.25Å; V71-L75 WeakPolarHBondContact O-CB 3.35Å; V71-L75 PolarHBondContact O-N 2.83Å; P72-L75 PolarHBondContact O-N 3.26Å; L75-T77 VanDerWaalsContact C-N 3.29Å; L75-T77 PolarHBondContact O-N 3.47Å; L75-V78 PolarHBondContact O-N 3Å; L75-R79 WeakPolarHBondContact O-CB 3.45Å; L75-R79 WeakPolarHBondContact O-CG 3.31Å; L75-R79 PolarHBondContact O-N 3.21Å; L75-E125 HydrophobicContact CD1-CB 4.18Å; L75-E125 HydrophobicContact CD1-CG 4.07Å; L75-E125 VanDerWaalsContact CD2-CD 3.47Å; L75-E125 HydrophobicContact CD2-CG 4.2Å; L75-E125 WeakPolarHBondContact CD2-OE2 3.34Å; L75-I126 HydrophobicContact CB-CD1 4.41Å; L75-I126 HydrophobicContact CB-CG1 4.09Å; L75-I126 HydrophobicContact CD1-CG1 3.86Å; L75-L129 HydrophobicContact CD1-CD1 3.71Å |
| 76 | E | 98.5 | Very high | 97.7 | Very high | 124 Ų | 124 | 48.5 Ų | 48.5 | 58% | 0.579 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -61.1 | -40.5 | 176.8 | -178.4 | 173.5 | -167.4 | 0 | 0 | 111.7 | P72 L73 R79 S80 | P72-E76 WeakPolarHBondContact O-CB 3.41Å; P72-E76 PolarHBondContact O-N 3.01Å; L73-E76 PolarHBondContact O-N 3.15Å; E76-R79 PolarHBondContact O-N 3.28Å; E76-S80 WeakPolarHBondContact O-CB 3.28Å; E76-S80 PolarHBondContact O-N 2.75Å; E76-S80 PolarHBondContact O-OG 2.82Å |
| 77 | T | 98.4 | Very high | 97.7 | Very high | 9 Ų | 9 | 48.8 Ų | 48.8 | 6% | 0.055 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.5 | -49.7 | 176.7 | -55.7 | 0 | 0 | 0 | 0 | 110.9 | F44 L73 M74 L75 R79 S80 I81 V87 I89 | F44-T77 HydrophobicContact CE1-CG2 4.24Å; F44-T77 WeakPolarHBondContact CE1-OG1 3.43Å; F44-T77 HydrophobicContact CZ-CG2 3.96Å; L73-T77 WeakPolarHBondContact O-CB 3.24Å; L73-T77 PolarHBondContact O-N 3.17Å; L73-T77 PolarHBondContact O-OG1 3.04Å; M74-T77 PolarHBondContact O-N 2.97Å; L75-T77 VanDerWaalsContact C-N 3.29Å; L75-T77 PolarHBondContact O-N 3.47Å; T77-R79 VanDerWaalsContact C-N 3.33Å; T77-R79 PolarHBondContact O-N 3.06Å; T77-S80 PolarHBondContact O-N 2.97Å; T77-S80 VanDerWaalsContact O-N 3.17Å; T77-I81 HydrophobicContact CG2-CD1 3.82Å; T77-I81 WeakPolarHBondContact O-CD1 3.43Å; T77-I81 WeakPolarHBondContact O-CG1 3.41Å; T77-I81 PolarHBondContact O-N 2.92Å; T77-V87 HydrophobicContact CG2-CB 4.05Å; T77-V87 HydrophobicContact CG2-CG1 4.19Å; T77-V87 HydrophobicContact CG2-CG2 3.92Å; T77-I89 HydrophobicContact CG2-CD1 3.41Å; T77-I89 VanDerWaalsContact CG2-CD1 3.41Å |
| 78 | V | 98.5 | Very high | 97.6 | Very high | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.018 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.6 | -38.2 | 179.7 | 176.1 | 0 | 0 | 0 | 0 | 111.4 | M74 L75 I81 R82 I126 L129 F130 | M74-V78 WeakPolarHBondContact O-CG2 3.32Å; M74-V78 PolarHBondContact O-N 3.19Å; L75-V78 PolarHBondContact O-N 3Å; V78-I81 PolarHBondContact O-N 3.46Å; V78-R82 WeakPolarHBondContact O-CB 3.43Å; V78-R82 PolarHBondContact O-N 2.85Å; V78-I126 HydrophobicContact CG2-CG2 4.41Å; V78-L129 HydrophobicContact CB-CD1 4.27Å; V78-L129 HydrophobicContact CG1-CB 3.78Å; V78-L129 HydrophobicContact CG1-CD1 3.82Å; V78-L129 HydrophobicContact CG1-CG 4.47Å; V78-F130 HydrophobicContact CG1-CD1 4.43Å; V78-F130 HydrophobicContact CG1-CE1 3.99Å; V78-F130 HydrophobicContact CG2-CE1 4.5Å |
| 79 | R | 98.4 | Very high | 97.5 | Very high | 130 Ų | 130 | 50.3 Ų | 50.3 | 49% | 0.491 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -62.2 | -42.3 | 173.3 | -75.6 | 176.9 | 175.8 | 152.3 | 1.9 | 112.4 | L75 E76 T77 R82 S83 L129 | L75-R79 WeakPolarHBondContact O-CB 3.45Å; L75-R79 WeakPolarHBondContact O-CG 3.31Å; L75-R79 PolarHBondContact O-N 3.21Å; E76-R79 PolarHBondContact O-N 3.28Å; T77-R79 VanDerWaalsContact C-N 3.33Å; T77-R79 PolarHBondContact O-N 3.06Å; R79-R82 PolarHBondContact O-N 2.9Å; R79-S83 WeakPolarHBondContact O-CB 3.32Å; R79-S83 PolarHBondContact O-N 2.79Å; R79-S83 PolarHBondContact O-OG 2.77Å; R79-L129 HydrophobicContact CG-CD1 3.68Å; R79-L129 HydrophobicContact CG-CD2 4.48Å |
| 80 | S | 98.3 | Very high | 97.2 | Very high | 28 Ų | 28 | 49.9 Ų | 49.9 | 20% | 0.196 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.7 | -43.7 | 178.8 | -64.8 | 0 | 0 | 0 | 0 | 111.6 | E76 T77 S83 Y84 K85 V87 | E76-S80 WeakPolarHBondContact O-CB 3.28Å; E76-S80 PolarHBondContact O-N 2.75Å; E76-S80 PolarHBondContact O-OG 2.82Å; T77-S80 PolarHBondContact O-N 2.97Å; T77-S80 VanDerWaalsContact O-N 3.17Å; S80-S83 CarbonylContact O-C 3.6Å; S80-S83 PolarHBondContact O-N 2.98Å; S80-S83 VanDerWaalsContact O-N 3.17Å; S80-Y84 PolarHBondContact O-N 3.23Å; S80-K85 WeakPolarHBondContact O-CB 3.4Å; S80-K85 PolarHBondContact O-N 3.04Å; S80-V87 VanDerWaalsContact CB-CG1 3.46Å |
| 81 | I | 97.4 | Very high | 96.9 | Very high | 7 Ų | 7 | 48.6 Ų | 48.6 | 4% | 0.036 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -56.7 | -52.5 | 172.2 | -72.1 | 158.3 | 0 | 0 | 0 | 110.8 | S4 V6 I39 T77 V78 S83 Y84 V87 V113 | S4-I81 WeakPolarHBondContact CB-O 3.18Å; S4-I81 PolarHBondContact OG-O 2.7Å; V6-I81 HydrophobicContact CG2-CG2 4.05Å; I39-I81 HydrophobicContact CD1-CD1 3.2Å; I39-I81 HydrophobicContact CD1-CG1 4.25Å; T77-I81 HydrophobicContact CG2-CD1 3.82Å; T77-I81 WeakPolarHBondContact O-CD1 3.43Å; T77-I81 WeakPolarHBondContact O-CG1 3.41Å; T77-I81 PolarHBondContact O-N 2.92Å; V78-I81 PolarHBondContact O-N 3.46Å; I81-S83 PolarHBondContact O-N 2.84Å; I81-S83 VanDerWaalsContact O-N 3.15Å; I81-Y84 WeakPolarHBondContact O-CA 3.5Å; I81-Y84 PolarHBondContact O-N 3.28Å; I81-V87 HydrophobicContact CD1-CG2 4.19Å; I81-V87 HydrophobicContact CG1-CG1 4.08Å; I81-V87 HydrophobicContact CG1-CG2 3.88Å; I81-V113 HydrophobicContact CD1-CG1 4.39Å; I81-V113 HydrophobicContact CG2-CB 3.73Å; I81-V113 HydrophobicContact CG2-CG1 4Å; I81-V113 HydrophobicContact CG2-CG2 3.5Å; I81-V113 VanDerWaalsContact CG2-CG2 3.5Å |
| 82 | R | 96.8 | Very high | 96.6 | Very high | 44 Ų | 44 | 48.7 Ų | 48.7 | 17% | 0.166 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58 | -33.1 | 179.6 | -169 | 179 | 176.4 | 86.4 | 10.8 | 111.7 | S3 S4 V6 V78 R79 Y84 L129 D131 | S3-R82 VanDerWaalsContact CA-O 3.24Å; S3-R82 WeakPolarHBondContact CA-O 3.31Å; S3-R82 WeakPolarHBondContact CB-O 3.41Å; S4-R82 PolarHBondContact N-O 2.99Å; V6-R82 HydrophobicContact CG2-CB 4.28Å; V78-R82 WeakPolarHBondContact O-CB 3.43Å; V78-R82 PolarHBondContact O-N 2.85Å; R79-R82 PolarHBondContact O-N 2.9Å; R82-Y84 PolarHBondContact O-N 2.79Å; R82-L129 PolarHBondContact NH1-O 2.67Å; R82-D131 IonicContact CZ-OD1 3.95Å; R82-D131 VanDerWaalsContact NH1-CG 3.28Å; R82-D131 IonicContact NH1-OD1 3.36Å; R82-D131 PolarHBondContact NH1-OD1 3.41Å; R82-D131 IonicContact NH1-OD2 3.87Å; R82-D131 PolarHBondContact NH1-OD2 2.97Å; R82-D131 IonicContact NH2-OD1 3.96Å; R82-D131 PolarHBondContact NH2-OD1 2.86Å |
| 83 | S | 96.8 | Very high | 96.3 | Very high | 54 Ų | 54 | 46.4 Ų | 46.4 | 38% | 0.378 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | 12.2 | 175.3 | -52.5 | 0 | 0 | 0 | 0 | 114.2 | R79 S80 I81 K85 | R79-S83 WeakPolarHBondContact O-CB 3.32Å; R79-S83 PolarHBondContact O-N 2.79Å; R79-S83 PolarHBondContact O-OG 2.77Å; S80-S83 CarbonylContact O-C 3.6Å; S80-S83 PolarHBondContact O-N 2.98Å; S80-S83 VanDerWaalsContact O-N 3.17Å; I81-S83 PolarHBondContact O-N 2.84Å; I81-S83 VanDerWaalsContact O-N 3.15Å; S83-K85 PolarHBondContact O-N 2.79Å |
| 84 | Y | 96.6 | Very high | 96 | Very high | 62 Ų | 62 | 47.8 Ų | 47.8 | 24% | 0.243 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 32.8 | -179.8 | -154.6 | -98.4 | 0 | 0 | 0 | 113.8 | K2 S4 S80 I81 R82 P109 A110 | K2-Y84 HydrophobicContact CB-CD1 4.38Å; K2-Y84 HydrophobicContact CB-CG 4.26Å; K2-Y84 HydrophobicContact CD-CD1 3.78Å; K2-Y84 HydrophobicContact CD-CD2 3.86Å; K2-Y84 HydrophobicContact CD-CE1 3.6Å; K2-Y84 HydrophobicContact CD-CE2 3.66Å; K2-Y84 HydrophobicContact CD-CG 3.93Å; K2-Y84 HydrophobicContact CG-CD1 4.16Å; K2-Y84 HydrophobicContact CG-CD2 3.87Å; K2-Y84 HydrophobicContact CG-CE1 4.45Å; K2-Y84 HydrophobicContact CG-CE2 4.16Å; K2-Y84 HydrophobicContact CG-CG 3.88Å; K2-Y84 PolarHBondContact NZ-OH 3.48Å; K2-Y84 WeakPolarHBondContact O-CB 3.37Å; S4-Y84 WeakPolarHBondContact OG-CD2 3.41Å; S80-Y84 PolarHBondContact O-N 3.23Å; I81-Y84 WeakPolarHBondContact O-CA 3.5Å; I81-Y84 PolarHBondContact O-N 3.28Å; R82-Y84 PolarHBondContact O-N 2.79Å; Y84-P109 HydrophobicContact CD1-CB 3.63Å; Y84-P109 HydrophobicContact CD1-CG 4.4Å; Y84-P109 HydrophobicContact CD2-CB 4.22Å; Y84-P109 HydrophobicContact CE1-CB 3.39Å; Y84-P109 HydrophobicContact CE1-CG 4.29Å; Y84-P109 HydrophobicContact CE2-CB 4.03Å; Y84-P109 HydrophobicContact CG-CB 4.02Å; Y84-A110 WeakPolarHBondContact CE2-O 3.44Å |
| 85 | K | 97.1 | Very high | 95.5 | Very high | 113 Ų | 113 | 55.6 Ų | 55.6 | 49% | 0.491 | 26% | 0.258 | S | S | . | . | trans | -95.4 | 147.1 | 177.7 | -63.2 | -180 | -179.8 | 177.5 | 0 | 110.9 | S80 S83 | S80-K85 WeakPolarHBondContact O-CB 3.4Å; S80-K85 PolarHBondContact O-N 3.04Å; S83-K85 PolarHBondContact O-N 2.79Å | ||
| 86 | P | 96.5 | Very high | 94.9 | Very high | 94 Ų | 94 | 57 Ų | 57 | 61% | 0.61 | 27% | 0.269 | S | S | * | . | trans | -62 | 144.2 | 167.4 | 27.1 | -33.1 | 0 | 0 | 0 | 109.5 | P109 | P86-P109 HydrophobicContact CB-CG 4.43Š| ||
| 87 | V | 97.3 | Very high | 94.4 | Very high | 16 Ų | 16 | 51.7 Ų | 51.7 | 10% | 0.097 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 158.1 | 175.4 | -61.4 | 0 | 0 | 0 | 0 | 110.3 | T77 S80 I81 I89 C107 | T77-V87 HydrophobicContact CG2-CB 4.05Å; T77-V87 HydrophobicContact CG2-CG1 4.19Å; T77-V87 HydrophobicContact CG2-CG2 3.92Å; S80-V87 VanDerWaalsContact CB-CG1 3.46Å; I81-V87 HydrophobicContact CD1-CG2 4.19Å; I81-V87 HydrophobicContact CG1-CG1 4.08Å; I81-V87 HydrophobicContact CG1-CG2 3.88Å; V87-I89 HydrophobicContact CG2-CD1 3.77Å; V87-I89 HydrophobicContact CG2-CG1 4.36Å; V87-C107 HydrophobicContact CG2-CB 3.71Å; V87-C107 PolarHBondContact N-O 2.88Å; V87-C107 PolarHBondContact O-N 2.85Å |
| 88 | R | 95.4 | Very high | 93.9 | Very high | 139 Ų | 139 | 52.8 Ų | 52.8 | 53% | 0.525 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 131.6 | 171.1 | -55 | -172.4 | 74.2 | -152.6 | -0.4 | 108 | W104 D106 | R88-W104 HydrophobicContact CB-CB 4.36Å; R88-W104 HydrophobicContact CB-CE3 3.73Å; R88-W104 HydrophobicContact CB-CZ3 4.44Å; R88-W104 WeakPolarHBondContact O-CZ3 3.26Å; R88-D106 WeakPolarHBondContact CG-OD1 3.2Å; R88-D106 IonicContact CZ-OD1 3.68Å; R88-D106 IonicContact NE-OD1 2.79Å; R88-D106 PolarHBondContact NE-OD1 2.95Å; R88-D106 IonicContact NH2-OD1 3.68Å |
| 89 | I | 95 | Very high | 93.2 | Very high | 9 Ų | 9 | 54 Ų | 54 | 5% | 0.046 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 128 | -176.4 | -51.6 | -60.6 | 0 | 0 | 0 | 108.7 | I39 S43 F44 T77 V87 A91 W104 K105 C107 | I39-I89 HydrophobicContact CD1-CD1 4.02Å; I39-I89 HydrophobicContact CD1-CG1 4.43Å; I39-I89 HydrophobicContact CG2-CD1 4.24Å; I39-I89 HydrophobicContact CG2-CG2 4.46Å; S43-I89 VanDerWaalsContact CB-CG2 3.42Å; S43-I89 WeakPolarHBondContact OG-CG2 3.16Å; F44-I89 HydrophobicContact CZ-CD1 3.99Å; F44-I89 HydrophobicContact CZ-CG2 4.34Å; T77-I89 HydrophobicContact CG2-CD1 3.41Å; T77-I89 VanDerWaalsContact CG2-CD1 3.41Å; V87-I89 HydrophobicContact CG2-CD1 3.77Å; V87-I89 HydrophobicContact CG2-CG1 4.36Å; I89-A91 PolarHBondContact O-N 2.91Å; I89-W104 CarbonylContact O-C 3.56Å; I89-W104 WeakPolarHBondContact O-CA 3.19Å; I89-K105 PolarHBondContact N-O 3.43Å; I89-K105 PolarHBondContact O-N 3.41Å; I89-C107 HydrophobicContact CG1-CB 4.22Å |
| 90 | P | 92.6 | Very high | 92.3 | Very high | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.006 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 135.6 | 175.7 | -12.7 | 22.5 | 0 | 0 | 0 | 110.8 | S43 L73 Q99 W104 | S43-P90 WeakPolarHBondContact CB-O 3.39Å; S43-P90 WeakPolarHBondContact O-CB 3.39Å; S43-P90 WeakPolarHBondContact O-CG 3.28Å; S43-P90 PolarHBondContact OG-O 2.86Å; L73-P90 HydrophobicContact CD2-CG 3.91Å; P90-Q99 HydrophobicContact CB-CG 4.29Å; P90-W104 HydrophobicContact CB-CE3 4.43Å; P90-W104 HydrophobicContact CB-CH2 4.37Å; P90-W104 HydrophobicContact CB-CZ2 4.39Å; P90-W104 HydrophobicContact CB-CZ3 4.38Å; P90-W104 HydrophobicContact CG-CE3 4.05Å; P90-W104 HydrophobicContact CG-CH2 3.62Å; P90-W104 HydrophobicContact CG-CZ2 4.1Å; P90-W104 HydrophobicContact CG-CZ3 3.58Å |
| 91 | A | 91.5 | Very high | 91 | Very high | 25 Ų | 25 | 54.4 Ų | 54.4 | 21% | 0.207 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 138.2 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | I89 Q99 L100 E103 | I89-A91 PolarHBondContact O-N 2.91Å; A91-Q99 VanDerWaalsContact O-CA 3.32Å; A91-Q99 WeakPolarHBondContact O-CA 3.45Å; A91-L100 HydrophobicContact CB-CB 4.3Å; A91-L100 HydrophobicContact CB-CD1 4.24Å; A91-L100 PolarHBondContact O-N 3.37Å; A91-E103 HydrophobicContact CB-CB 3.75Å; A91-E103 VanDerWaalsContact CB-O 3.23Å; A91-E103 WeakPolarHBondContact CB-O 3.17Å; A91-E103 PolarHBondContact N-O 2.77Å |
| 92 | Y | 92.2 | Very high | 89.8 | Confident | 24 Ų | 24 | 58.6 Ų | 58.6 | 9% | 0.094 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 130.5 | 179.7 | -172.6 | -97.7 | 0 | 0 | 0 | 110.3 | Y45 F63 Y94 H97 Q99 | Y45-Y92 AromaticContact CD2-CD1 3.99Å; Y45-Y92 HydrophobicContact CD2-CD1 3.99Å; Y45-Y92 HydrophobicContact CD2-CD2 4.26Å; Y45-Y92 AromaticContact CD2-CE1 3.6Å; Y45-Y92 HydrophobicContact CD2-CE1 3.6Å; Y45-Y92 AromaticContact CD2-CE2 3.92Å; Y45-Y92 HydrophobicContact CD2-CE2 3.92Å; Y45-Y92 HydrophobicContact CD2-CG 4.3Å; Y45-Y92 AromaticContact CD2-CZ 3.56Å; Y45-Y92 HydrophobicContact CE2-CE1 4.24Å; Y45-Y92 HydrophobicContact CG-CE1 4.45Å; Y45-Y92 HydrophobicContact CG-CE2 4.02Å; Y45-Y92 AromaticContact CG-CZ 3.97Å; F63-Y92 WeakPolarHBondContact CE1-OH 3.38Å; Y92-Y94 AromaticContact CD1-CD1 3.82Å; Y92-Y94 HydrophobicContact CD1-CD1 3.82Å; Y92-Y94 AromaticContact CD1-CE1 3.8Å; Y92-Y94 HydrophobicContact CD1-CE1 3.8Å; Y92-Y94 HydrophobicContact CD1-CG 4.37Å; Y92-Y94 AromaticContact CE1-CD1 3.81Å; Y92-Y94 HydrophobicContact CE1-CD1 3.81Å; Y92-Y94 HydrophobicContact CE1-CE1 4.12Å; Y92-Y94 HydrophobicContact CE1-CG 4.49Å; Y92-H97 WeakPolarHBondContact OH-CA 3.4Å; Y92-H97 PolarHBondContact OH-O 3.48Å; Y92-Q99 HydrophobicContact CD2-CG 4.16Å |
| 93 | D | 91.3 | Very high | 89 | Confident | 46 Ų | 46 | 61.9 Ų | 61.9 | 25% | 0.246 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 117.1 | 175.5 | 172.5 | 25.3 | 0 | 0 | 0 | 111 | R95 S96 H97 S98 L100 | D93-R95 VanDerWaalsContact C-N 3.25Å; D93-R95 PolarHBondContact O-N 2.82Å; D93-R95 WeakPolarHBondContact OD1-CB 3.35Å; D93-R95 PolarHBondContact OD1-N 2.82Å; D93-S96 WeakPolarHBondContact CB-OG 3.44Å; D93-S96 VanDerWaalsContact CG-OG 3.32Å; D93-S96 WeakPolarHBondContact OD2-CB 3.49Å; D93-S96 PolarHBondContact OD2-N 2.83Å; D93-S96 VanDerWaalsContact OD2-N 3.09Å; D93-S96 PolarHBondContact OD2-OG 3.04Å; D93-H97 WeakPolarHBondContact O-CA 3.47Å; D93-H97 PolarHBondContact O-N 3.37Å; D93-S98 PolarHBondContact N-O 3.47Å; D93-S98 PolarHBondContact O-N 2.92Å; D93-L100 HydrophobicContact CB-CD1 4.27Å; D93-L100 HydrophobicContact CB-CD2 3.79Å; D93-L100 HydrophobicContact CB-CG 4.01Å |
| 94 | Y | 90.4 | Very high | 88.7 | Confident | 65 Ų | 65 | 63.9 Ų | 63.9 | 26% | 0.255 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -16.9 | -179.6 | -58.2 | -74.4 | 0 | 0 | 0 | 114.4 | D42 Y92 R155 | D42-Y94 HydrophobicContact CB-CE1 3.9Å; D42-Y94 VanDerWaalsContact CB-OH 3.3Å; D42-Y94 WeakPolarHBondContact CB-OH 3.45Å; D42-Y94 VanDerWaalsContact OD2-CE1 3.27Å; D42-Y94 WeakPolarHBondContact OD2-CE1 3.47Å; D42-Y94 PolarHBondContact OD2-OH 3.18Å; Y92-Y94 AromaticContact CD1-CD1 3.82Å; Y92-Y94 HydrophobicContact CD1-CD1 3.82Å; Y92-Y94 AromaticContact CD1-CE1 3.8Å; Y92-Y94 HydrophobicContact CD1-CE1 3.8Å; Y92-Y94 HydrophobicContact CD1-CG 4.37Å; Y92-Y94 AromaticContact CE1-CD1 3.81Å; Y92-Y94 HydrophobicContact CE1-CD1 3.81Å; Y92-Y94 HydrophobicContact CE1-CE1 4.12Å; Y92-Y94 HydrophobicContact CE1-CG 4.49Å; Y94-R155 VanDerWaalsContact CD1-CZ 3.46Å; Y94-R155 HydrophobicContact CG-CG 4.43Å |
| 95 | R | 87.7 | Confident | 88.4 | Confident | 163 Ų | 163 | 68 Ų | 68 | 62% | 0.615 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -47.5 | 178.8 | -65.2 | -176 | 177.2 | -171.8 | -1.1 | 111.3 | D93 H97 E154 | D93-R95 VanDerWaalsContact C-N 3.25Å; D93-R95 PolarHBondContact O-N 2.82Å; D93-R95 WeakPolarHBondContact OD1-CB 3.35Å; D93-R95 PolarHBondContact OD1-N 2.82Å; R95-H97 VanDerWaalsContact C-N 3.33Å; R95-E154 PolarHBondContact NE-O 2.85Å; R95-E154 VanDerWaalsContact NE-O 3.17Å; R95-E154 PolarHBondContact NH2-O 3.24Å |
| 96 | S | 87.2 | Confident | 88.2 | Confident | 41 Ų | 41 | 67.8 Ų | 67.8 | 29% | 0.287 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -6 | 176.7 | 62.9 | 0 | 0 | 0 | 0 | 114.3 | D93 S98 | D93-S96 WeakPolarHBondContact CB-OG 3.44Å; D93-S96 VanDerWaalsContact CG-OG 3.32Å; D93-S96 WeakPolarHBondContact OD2-CB 3.49Å; D93-S96 PolarHBondContact OD2-N 2.83Å; D93-S96 VanDerWaalsContact OD2-N 3.09Å; D93-S96 PolarHBondContact OD2-OG 3.04Å; S96-S98 PolarHBondContact O-N 2.95Å; S96-S98 PolarHBondContact OG-OG 3.36Å |
| 97 | H | 87 | Confident | 88.1 | Confident | 12 Ų | 12 | 64 Ų | 64 | 6% | 0.056 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | 32.9 | -176.3 | -64.6 | -72.3 | 0 | 0 | 0 | 113.6 | L48 A56 F63 Y92 D93 R95 R157 | L48-H97 HydrophobicContact CD1-CB 4.47Å; A56-H97 HydrophobicContact CB-CB 4.16Å; F63-H97 HydrophobicContact CE1-CB 4.42Å; F63-H97 AromaticContact CE2-CE1 3.61Å; F63-H97 AromaticContact CE2-ND1 3.35Å; F63-H97 WeakPolarHBondContact CE2-ND1 3.44Å; F63-H97 HydrophobicContact CZ-CB 3.84Å; F63-H97 AromaticContact CZ-CE1 3.89Å; F63-H97 AromaticContact CZ-CG 3.67Å; F63-H97 AromaticContact CZ-ND1 3.15Å; F63-H97 WeakPolarHBondContact CZ-ND1 3.34Å; Y92-H97 WeakPolarHBondContact OH-CA 3.4Å; Y92-H97 PolarHBondContact OH-O 3.48Å; D93-H97 WeakPolarHBondContact O-CA 3.47Å; D93-H97 PolarHBondContact O-N 3.37Å; R95-H97 VanDerWaalsContact C-N 3.33Å; H97-R157 PolarHBondContact CE1-NH2 2.84Å |
| 98 | S | 87.9 | Confident | 87.9 | Confident | 32 Ų | 32 | 67.3 Ų | 67.3 | 22% | 0.224 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 154.2 | -170.9 | 72.9 | 0 | 0 | 0 | 0 | 112.4 | D93 S96 | D93-S98 PolarHBondContact N-O 3.47Å; D93-S98 PolarHBondContact O-N 2.92Å; S96-S98 PolarHBondContact O-N 2.95Å; S96-S98 PolarHBondContact OG-OG 3.36Å |
| 99 | Q | 84.2 | Confident | 87.9 | Confident | 29 Ų | 29 | 62.7 Ų | 62.7 | 14% | 0.136 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 135.1 | 165.5 | -56.2 | 175.2 | -45 | 0 | 0 | 108.6 | S43 Y45 P90 A91 Y92 S101 | S43-Q99 PolarHBondContact O-NE2 3.47Å; Y45-Q99 PolarHBondContact O-NE2 3.47Å; P90-Q99 HydrophobicContact CB-CG 4.29Å; A91-Q99 VanDerWaalsContact O-CA 3.32Å; A91-Q99 WeakPolarHBondContact O-CA 3.45Å; Y92-Q99 HydrophobicContact CD2-CG 4.16Å; Q99-S101 PolarHBondContact O-N 2.89Å; Q99-S101 VanDerWaalsContact O-N 3.09Å |
| 100 | L | 79.5 | Confident | 87.9 | Confident | 54 Ų | 54 | 62.4 Ų | 62.4 | 28% | 0.283 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 103 | 175.8 | -62.7 | 177.7 | 0 | 0 | 0 | 107.8 | A91 D93 A102 E103 | A91-L100 HydrophobicContact CB-CB 4.3Å; A91-L100 HydrophobicContact CB-CD1 4.24Å; A91-L100 PolarHBondContact O-N 3.37Å; D93-L100 HydrophobicContact CB-CD1 4.27Å; D93-L100 HydrophobicContact CB-CD2 3.79Å; D93-L100 HydrophobicContact CB-CG 4.01Å; L100-A102 PolarHBondContact O-N 3.17Å; L100-E103 HydrophobicContact CB-CB 3.83Å; L100-E103 HydrophobicContact CB-CG 4.21Å; L100-E103 HydrophobicContact CD1-CB 4.49Å; L100-E103 WeakPolarHBondContact CD1-OE2 3.33Å; L100-E103 PolarHBondContact O-N 2.95Å |
| 101 | S | 71.1 | Confident | 88.1 | Confident | 113 Ų | 113 | 63.9 Ų | 63.9 | 79% | 0.79 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -56.1 | -30 | -168.6 | 55.5 | 0 | 0 | 0 | 0 | 114.4 | Q99 | Q99-S101 PolarHBondContact O-N 2.89Å; Q99-S101 VanDerWaalsContact O-N 3.09Å |
| 102 | A | 71.7 | Confident | 88.4 | Confident | 94 Ų | 94 | 62.7 Ų | 62.7 | 78% | 0.777 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.3 | -10.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114 | L100 | L100-A102 PolarHBondContact O-N 3.17Å |
| 103 | E | 81.3 | Confident | 88.7 | Confident | 114 Ų | 114 | 61.6 Ų | 61.6 | 53% | 0.533 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 102.2 | -169.2 | -63.7 | -177.7 | -153.5 | 0 | 0 | 110.8 | A91 L100 | A91-E103 HydrophobicContact CB-CB 3.75Å; A91-E103 VanDerWaalsContact CB-O 3.23Å; A91-E103 WeakPolarHBondContact CB-O 3.17Å; A91-E103 PolarHBondContact N-O 2.77Å; L100-E103 HydrophobicContact CB-CB 3.83Å; L100-E103 HydrophobicContact CB-CG 4.21Å; L100-E103 HydrophobicContact CD1-CB 4.49Å; L100-E103 WeakPolarHBondContact CD1-OE2 3.33Å; L100-E103 PolarHBondContact O-N 2.95Å |
| 104 | W | 89.6 | Confident | 89 | Confident | 95 Ų | 95 | 59.4 Ų | 59.4 | 36% | 0.36 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 127.6 | 169.5 | -73.3 | 71.2 | 0 | 0 | 0 | 108.2 | L73 R88 I89 P90 | L73-W104 HydrophobicContact CD2-CH2 4.46Å; R88-W104 HydrophobicContact CB-CB 4.36Å; R88-W104 HydrophobicContact CB-CE3 3.73Å; R88-W104 HydrophobicContact CB-CZ3 4.44Å; R88-W104 WeakPolarHBondContact O-CZ3 3.26Å; I89-W104 CarbonylContact O-C 3.56Å; I89-W104 WeakPolarHBondContact O-CA 3.19Å; P90-W104 HydrophobicContact CB-CE3 4.43Å; P90-W104 HydrophobicContact CB-CH2 4.37Å; P90-W104 HydrophobicContact CB-CZ2 4.39Å; P90-W104 HydrophobicContact CB-CZ3 4.38Å; P90-W104 HydrophobicContact CG-CE3 4.05Å; P90-W104 HydrophobicContact CG-CH2 3.62Å; P90-W104 HydrophobicContact CG-CZ2 4.1Å; P90-W104 HydrophobicContact CG-CZ3 3.58Å |
| 105 | K | 90.7 | Very high | 89.4 | Confident | 149 Ų | 149 | 56.4 Ų | 56.4 | 65% | 0.648 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 119.3 | 175.8 | -175.9 | 179.9 | 178.8 | -176.4 | 0 | 109.1 | I89 C107 | I89-K105 PolarHBondContact N-O 3.43Å; I89-K105 PolarHBondContact O-N 3.41Å; K105-C107 PolarHBondContact O-N 2.8Å |
| 106 | D | 92.6 | Very high | 90 | Very high | 108 Ų | 108 | 49 Ų | 49 | 58% | 0.578 | 28% | 0.279 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 130.2 | 171.4 | -62 | -39.6 | 0 | 0 | 0 | 109.6 | R88 | R88-D106 WeakPolarHBondContact CG-OD1 3.2Å; R88-D106 IonicContact CZ-OD1 3.68Å; R88-D106 IonicContact NE-OD1 2.79Å; R88-D106 PolarHBondContact NE-OD1 2.95Å; R88-D106 IonicContact NH2-OD1 3.68Å |
| 107 | C | 93.6 | Very high | 90.5 | Very high | 14 Ų | 14 | 47.1 Ų | 47.1 | 10% | 0.095 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 104 | 174.5 | -174.5 | 0 | 0 | 0 | 0 | 107.7 | V87 I89 K105 | V87-C107 HydrophobicContact CG2-CB 3.71Å; V87-C107 PolarHBondContact N-O 2.88Å; V87-C107 PolarHBondContact O-N 2.85Å; I89-C107 HydrophobicContact CG1-CB 4.22Å; K105-C107 PolarHBondContact O-N 2.8Å |
| 108 | P | 94.1 | Very high | 91.1 | Very high | 86 Ų | 86 | 47.1 Ų | 47.1 | 56% | 0.558 | 27% | 0.266 | S | S | * | . | trans | -64.7 | 162.5 | 175.1 | 29 | -34.3 | 0 | 0 | 0 | 110.5 | A110 | P108-A110 PolarHBondContact O-N 3.17Š| ||
| 109 | P | 95.4 | Very high | 91.6 | Very high | 43 Ų | 43 | 45.7 Ų | 45.7 | 28% | 0.279 | 26% | 0.256 | S | S | . | . | trans | -56.2 | 134.5 | 171.1 | -21.9 | 33.3 | 0 | 0 | 0 | 110.9 | Y84 P86 | Y84-P109 HydrophobicContact CD1-CB 3.63Å; Y84-P109 HydrophobicContact CD1-CG 4.4Å; Y84-P109 HydrophobicContact CD2-CB 4.22Å; Y84-P109 HydrophobicContact CE1-CB 3.39Å; Y84-P109 HydrophobicContact CE1-CG 4.29Å; Y84-P109 HydrophobicContact CE2-CB 4.03Å; Y84-P109 HydrophobicContact CG-CB 4.02Å; P86-P109 HydrophobicContact CB-CG 4.43Å | ||
| 110 | A | 95.5 | Very high | 92.3 | Very high | 3 Ų | 3 | 44.3 Ų | 44.3 | 3% | 0.025 | 25% | 0.249 | C | C | . | . | trans | -130.6 | 146.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | S4 A37 Y84 P108 V112 V113 | S4-A110 VanDerWaalsContact CB-O 3.28Å; S4-A110 WeakPolarHBondContact CB-O 3.4Å; S4-A110 PolarHBondContact OG-O 2.62Å; A37-A110 HydrophobicContact CB-CB 3.84Å; Y84-A110 WeakPolarHBondContact CE2-O 3.44Å; P108-A110 PolarHBondContact O-N 3.17Å; A110-V112 VanDerWaalsContact C-N 3.33Å; A110-V113 HydrophobicContact CB-CG2 3.98Å | ||
| 111 | D | 95.8 | Very high | 93.2 | Very high | 31 Ų | 31 | 41.8 Ų | 41.8 | 17% | 0.166 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -66.4 | -37.3 | 179.6 | -67.3 | -79.4 | 0 | 0 | 0 | 111.8 | K2 S4 F5 M35 L210 | K2-D111 WeakPolarHBondContact CE-OD1 3.47Å; K2-D111 IonicContact NZ-OD1 3.88Å; K2-D111 PolarHBondContact NZ-OD1 3.12Å; K2-D111 IonicContact NZ-OD2 2.98Å; S4-D111 WeakPolarHBondContact CA-O 3.33Å; F5-D111 PolarHBondContact N-O 2.98Å; M35-D111 HydrophobicContact CB-CB 4.47Å; M35-D111 HydrophobicContact CE-CB 4.37Å; M35-D111 WeakPolarHBondContact CE-OD2 3.35Å; M35-D111 PolarHBondContact O-N 3.4Å; D111-L210 HydrophobicContact CB-CD2 3.56Å |
| 112 | V | 97.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 135.1 | 174 | -178.9 | 0 | 0 | 0 | 0 | 110 | F5 I7 M35 V36 A37 A110 L114 I206 I209 L210 | F5-V112 HydrophobicContact CB-CG2 4.32Å; F5-V112 VanDerWaalsContact O-CA 3.3Å; F5-V112 WeakPolarHBondContact O-CA 3.32Å; I7-V112 HydrophobicContact CD1-CG1 3.9Å; I7-V112 HydrophobicContact CG1-CG1 4.23Å; M35-V112 PolarHBondContact O-N 3.1Å; V36-V112 VanDerWaalsContact CA-O 3.27Å; V36-V112 WeakPolarHBondContact CA-O 3.35Å; V36-V112 HydrophobicContact CG1-CB 4.24Å; V36-V112 HydrophobicContact CG1-CG1 4.28Å; V36-V112 HydrophobicContact CG2-CB 4.08Å; A37-V112 PolarHBondContact N-O 3.11Å; A110-V112 VanDerWaalsContact C-N 3.33Å; V112-L114 HydrophobicContact CG1-CD2 4.44Å; V112-I206 HydrophobicContact CG1-CD1 4.44Å; V112-I206 HydrophobicContact CG1-CG1 4.37Å; V112-I206 HydrophobicContact CG2-CG2 4.11Å; V112-I209 HydrophobicContact CG2-CG2 4.09Å; V112-L210 HydrophobicContact CG2-CD2 3.96Å; V112-L210 HydrophobicContact CG2-CG 4.36Å |
| 113 | V | 98.3 | Very high | 95.8 | Very high | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.012 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 120.7 | 175.4 | -175.3 | 0 | 0 | 0 | 0 | 110.9 | F5 V6 I7 A37 I39 I81 A110 V115 | F5-V113 PolarHBondContact O-N 2.77Å; V6-V113 WeakPolarHBondContact CA-O 3.34Å; I7-V113 PolarHBondContact N-O 3.2Å; A37-V113 HydrophobicContact CB-CG1 4.47Å; A37-V113 HydrophobicContact CB-CG2 4.29Å; A37-V113 CarbonylContact O-C 3.57Å; A37-V113 WeakPolarHBondContact O-CA 3.43Å; I39-V113 HydrophobicContact CD1-CG1 3.87Å; I39-V113 HydrophobicContact CG1-CG1 4.25Å; I81-V113 HydrophobicContact CD1-CG1 4.39Å; I81-V113 HydrophobicContact CG2-CB 3.73Å; I81-V113 HydrophobicContact CG2-CG1 4Å; I81-V113 HydrophobicContact CG2-CG2 3.5Å; I81-V113 VanDerWaalsContact CG2-CG2 3.5Å; A110-V113 HydrophobicContact CB-CG2 3.98Å; V113-V115 HydrophobicContact CG1-CG2 4.14Å |
| 114 | L | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 117.7 | 172.6 | -51.3 | 180 | 0 | 0 | 0 | 108.7 | I7 C21 I24 I25 V36 A37 M38 I39 V112 | I7-L114 HydrophobicContact CB-CD2 3.75Å; I7-L114 HydrophobicContact CD1-CD2 3.77Å; I7-L114 HydrophobicContact CG1-CD2 4.12Å; I7-L114 HydrophobicContact CG2-CD2 4.23Å; I7-L114 CarbonylContact O-C 3.44Å; I7-L114 WeakPolarHBondContact O-CA 3.14Å; C21-L114 HydrophobicContact CB-CD1 3.71Å; I24-L114 HydrophobicContact CB-CD1 4.38Å; I24-L114 HydrophobicContact CG2-CD1 4.2Å; I25-L114 HydrophobicContact CD1-CD1 4.24Å; I25-L114 HydrophobicContact CG1-CD1 4.19Å; V36-L114 HydrophobicContact CG1-CD1 4.48Å; V36-L114 HydrophobicContact CG1-CG 4.31Å; A37-L114 PolarHBondContact O-N 2.89Å; M38-L114 CarbonylContact C-O 3.59Å; M38-L114 WeakPolarHBondContact CA-O 3.39Å; M38-L114 HydrophobicContact CB-CB 4.48Å; M38-L114 HydrophobicContact CG-CB 4.48Å; I39-L114 PolarHBondContact N-O 3.07Å; V112-L114 HydrophobicContact CG1-CD2 4.44Å |
| 115 | V | 98.7 | Very high | 97 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.006 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 104.8 | 175.5 | -175.3 | 0 | 0 | 0 | 0 | 108.3 | V6 I7 G8 V9 I39 M74 V113 V120 F130 | V6-V115 HydrophobicContact CG1-CG2 3.82Å; I7-V115 PolarHBondContact O-N 3.32Å; G8-V115 CarbonylContact C-O 3.55Å; G8-V115 WeakPolarHBondContact CA-O 3.35Å; V9-V115 PolarHBondContact N-O 3.35Å; I39-V115 WeakPolarHBondContact O-CA 3.45Å; M74-V115 HydrophobicContact CE-CG1 4.14Å; V113-V115 HydrophobicContact CG1-CG2 4.14Å; V115-V120 HydrophobicContact CG1-CG1 4.16Å; V115-F130 HydrophobicContact CB-CE1 4.07Å; V115-F130 HydrophobicContact CB-CZ 4.22Å; V115-F130 HydrophobicContact CG1-CE1 4.34Å; V115-F130 HydrophobicContact CG1-CZ 4.19Å; V115-F130 HydrophobicContact CG2-CE1 4.27Å |
| 116 | E | 98.7 | Very high | 97.4 | Very high | 9 Ų | 9 | 27 Ų | 27 | 4% | 0.042 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 145.9 | -173.4 | 74.5 | 78.8 | -154.7 | 0 | 0 | 112.3 | V9 K17 M38 I39 S40 Q41 | V9-E116 HydrophobicContact CB-CB 3.91Å; V9-E116 HydrophobicContact CG1-CB 4.5Å; V9-E116 VanDerWaalsContact O-CA 3.31Å; V9-E116 WeakPolarHBondContact O-CA 3.44Å; K17-E116 HydrophobicContact CB-CB 4.42Å; K17-E116 VanDerWaalsContact CE-OE2 3.32Å; K17-E116 WeakPolarHBondContact CE-OE2 3.46Å; M38-E116 HydrophobicContact CG-CG 4.48Å; M38-E116 HydrophobicContact SD-CG 4.5Å; I39-E116 PolarHBondContact O-N 3.28Å; S40-E116 CarbonylContact C-O 3.58Å; S40-E116 WeakPolarHBondContact CA-OE1 3.32Å; S40-E116 WeakPolarHBondContact CB-OE1 3.37Å; S40-E116 PolarHBondContact OG-OE1 3.34Å; Q41-E116 WeakPolarHBondContact CB-O 3.43Å; Q41-E116 PolarHBondContact N-O 3.01Å |
| 117 | G | 98.7 | Very high | 97.7 | Very high | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.01 | 13% | 0.126 | C | C | . | . | trans | 165.6 | 170 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | V9 K17 L119 | V9-G117 PolarHBondContact O-N 3.16Å; K17-G117 VanDerWaalsContact CE-C 3.44Å; G117-L119 VanDerWaalsContact C-N 3.35Å; G117-L119 PolarHBondContact O-N 3.36Å | ||
| 118 | I | 98.6 | Very high | 97.9 | Very high | 12 Ų | 12 | 27.7 Ų | 27.7 | 6% | 0.062 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -72.7 | -25.3 | -175.2 | 54.8 | 163.4 | 0 | 0 | 0 | 113.3 | Q41 D64 C178 | Q41-I118 VanDerWaalsContact NE2-CG1 3.3Å; D64-I118 HydrophobicContact CB-CD1 3.93Å; D64-I118 WeakPolarHBondContact OD1-CD1 3.4Å; I118-C178 PolarHBondContact O-SG 3.39Å |
| 119 | L | 98.7 | Very high | 98.1 | Very high | 2 Ų | 2 | 25.1 Ų | 25.1 | 1% | 0.01 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -123.9 | 14 | -177.2 | -56.9 | 175.3 | 0 | 0 | 0 | 113.2 | P66 I69 G117 L121 Y122 F123 F177 | P66-L119 HydrophobicContact CB-CD1 4.44Å; P66-L119 HydrophobicContact CG-CD1 4.18Å; I69-L119 HydrophobicContact CG1-CD1 4.24Å; G117-L119 VanDerWaalsContact C-N 3.35Å; G117-L119 PolarHBondContact O-N 3.36Å; L119-L121 PolarHBondContact O-N 2.88Å; L119-Y122 HydrophobicContact CD2-CG 4.33Å; L119-Y122 VanDerWaalsContact O-CB 3.25Å; L119-Y122 WeakPolarHBondContact O-CB 3.42Å; L119-Y122 PolarHBondContact O-N 3.35Å; L119-F123 HydrophobicContact CB-CE2 4.01Å; L119-F177 HydrophobicContact CD2-CB 3.51Å |
| 120 | V | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -31.5 | -179.9 | -60.1 | 0 | 0 | 0 | 0 | 112.1 | V9 Q41 M74 V115 F130 | V9-V120 WeakPolarHBondContact O-CG2 3.41Å; Q41-V120 HydrophobicContact CB-CG1 3.93Å; Q41-V120 HydrophobicContact CG-CG1 4.39Å; Q41-V120 VanDerWaalsContact OE1-N 3.12Å; M74-V120 HydrophobicContact CE-CB 4.34Å; M74-V120 HydrophobicContact CE-CG1 3.79Å; V115-V120 HydrophobicContact CG1-CG1 4.16Å; V120-F130 HydrophobicContact CB-CE2 4.14Å; V120-F130 HydrophobicContact CB-CZ 4.2Å; V120-F130 HydrophobicContact CG2-CE2 4.5Å; V120-F130 VanDerWaalsContact O-CE2 3.32Å; V120-F130 WeakPolarHBondContact O-CE2 3.14Å |
| 121 | L | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 3 | 175.4 | -57.9 | -174.5 | 0 | 0 | 0 | 113.3 | L119 R127 F130 K133 F135 T181 A185 | L119-L121 PolarHBondContact O-N 2.88Å; L121-R127 HydrophobicContact CD2-CG 4.28Å; L121-R127 WeakPolarHBondContact O-CD 3.44Å; L121-R127 PolarHBondContact O-NH1 2.86Å; L121-F130 HydrophobicContact CD2-CD2 3.89Å; L121-F130 HydrophobicContact CD2-CE2 3.99Å; L121-K133 HydrophobicContact CD2-CB 3.96Å; L121-K133 HydrophobicContact CD2-CD 4.43Å; L121-K133 HydrophobicContact CD2-CG 4.04Å; L121-F135 HydrophobicContact CD1-CD2 4.35Å; L121-T181 HydrophobicContact CB-CG2 4.49Å; L121-T181 WeakPolarHBondContact O-CG2 3.47Å; L121-A185 HydrophobicContact CD1-CB 4.4Å |
| 122 | Y | 98.8 | Very high | 98.6 | Very high | 87 Ų | 87 | 25 Ų | 25 | 34% | 0.341 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -55.8 | -179.8 | 179.9 | -103.6 | 0 | 0 | 0 | 111.5 | P66 L119 A124 R127 F177 T181 | P66-Y122 HydrophobicContact CB-CD1 4.2Å; P66-Y122 HydrophobicContact CB-CE1 3.7Å; P66-Y122 HydrophobicContact CG-CD1 3.88Å; P66-Y122 HydrophobicContact CG-CE1 3.31Å; L119-Y122 HydrophobicContact CD2-CG 4.33Å; L119-Y122 VanDerWaalsContact O-CB 3.25Å; L119-Y122 WeakPolarHBondContact O-CB 3.42Å; L119-Y122 PolarHBondContact O-N 3.35Å; Y122-A124 PolarHBondContact O-N 2.98Å; Y122-R127 PolarHBondContact O-NH1 3.41Å; Y122-F177 HydrophobicContact CD2-CB 4.09Å; Y122-F177 WeakPolarHBondContact CD2-O 3.41Å; Y122-F177 HydrophobicContact CE2-CB 4.04Å; Y122-F177 AromaticContact CE2-CD1 3.77Å; Y122-F177 HydrophobicContact CE2-CD1 3.77Å; Y122-F177 HydrophobicContact CE2-CG 4.38Å; Y122-F177 AromaticContact CZ-CD1 3.85Å; Y122-T181 HydrophobicContact CD2-CG2 4.17Å |
| 123 | F | 98.6 | Very high | 98.6 | Very high | 27 Ų | 27 | 26.4 Ų | 26.4 | 12% | 0.118 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -70.8 | 111.5 | -177.4 | -55 | -76.2 | 0 | 0 | 0 | 110.8 | P66 I69 V71 L119 E125 I126 R127 | P66-F123 HydrophobicContact CB-CE1 3.91Å; P66-F123 HydrophobicContact CB-CZ 3.79Å; I69-F123 HydrophobicContact CB-CE2 4.39Å; I69-F123 HydrophobicContact CB-CZ 4.31Å; I69-F123 HydrophobicContact CG1-CE2 4.38Å; I69-F123 HydrophobicContact CG1-CZ 4.45Å; I69-F123 HydrophobicContact CG2-CE2 4.44Å; V71-F123 HydrophobicContact CG1-CD1 4.01Å; V71-F123 HydrophobicContact CG1-CE1 4.37Å; V71-F123 HydrophobicContact CG1-CG 4.15Å; V71-F123 HydrophobicContact CG2-CD1 3.87Å; V71-F123 HydrophobicContact CG2-CD2 4.41Å; V71-F123 HydrophobicContact CG2-CE1 3.36Å; V71-F123 HydrophobicContact CG2-CE2 3.97Å; V71-F123 HydrophobicContact CG2-CG 4.36Å; V71-F123 HydrophobicContact CG2-CZ 3.41Å; V71-F123 VanDerWaalsContact CG2-CZ 3.41Å; L119-F123 HydrophobicContact CB-CE2 4.01Å; F123-E125 VanDerWaalsContact C-N 3.27Å; F123-E125 PolarHBondContact O-N 2.83Å; F123-I126 HydrophobicContact CB-CB 4.22Å; F123-I126 HydrophobicContact CB-CD1 4.11Å; F123-I126 HydrophobicContact CB-CG1 4.29Å; F123-I126 HydrophobicContact CD2-CD1 4.24Å; F123-I126 HydrophobicContact CG-CD1 4.4Å; F123-I126 PolarHBondContact O-N 3.18Å; F123-I126 VanDerWaalsContact O-N 3.11Å; F123-R127 WeakPolarHBondContact O-CB 3.3Å; F123-R127 PolarHBondContact O-N 2.92Å |
| 124 | A | 98.6 | Very high | 98.6 | Very high | 46 Ų | 46 | 26.3 Ų | 26.3 | 38% | 0.38 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -56.8 | -40.4 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y122 I126 R127 N128 | Y122-A124 PolarHBondContact O-N 2.98Å; A124-I126 VanDerWaalsContact C-N 3.33Å; A124-I126 PolarHBondContact O-N 3.2Å; A124-R127 PolarHBondContact O-N 3.42Å; A124-N128 VanDerWaalsContact O-CB 3.26Å; A124-N128 WeakPolarHBondContact O-CB 3.31Å; A124-N128 PolarHBondContact O-N 3.11Å; A124-N128 PolarHBondContact O-ND2 3.4Å; A124-N128 PolarHBondContact O-OD1 3.5Å |
| 125 | E | 98.2 | Very high | 98.7 | Very high | 95 Ų | 95 | 26.3 Ų | 26.3 | 44% | 0.444 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -64.4 | -32.7 | 179.2 | 58.1 | 179 | 174 | 0 | 0 | 114 | V71 L75 F123 L129 | V71-E125 WeakPolarHBondContact CG1-OE1 3.43Å; L75-E125 HydrophobicContact CD1-CB 4.18Å; L75-E125 HydrophobicContact CD1-CG 4.07Å; L75-E125 VanDerWaalsContact CD2-CD 3.47Å; L75-E125 HydrophobicContact CD2-CG 4.2Å; L75-E125 WeakPolarHBondContact CD2-OE2 3.34Å; F123-E125 VanDerWaalsContact C-N 3.27Å; F123-E125 PolarHBondContact O-N 2.83Å; E125-L129 WeakPolarHBondContact O-CG 3.32Å |
| 126 | I | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -80.6 | -48.1 | 174.9 | -67.9 | 173.3 | 0 | 0 | 0 | 109.3 | V71 M74 L75 V78 F123 A124 N128 L129 F130 | V71-I126 HydrophobicContact CG1-CD1 4.03Å; M74-I126 HydrophobicContact CB-CD1 4.08Å; M74-I126 HydrophobicContact CE-CD1 4.19Å; M74-I126 HydrophobicContact CE-CG2 4.08Å; M74-I126 HydrophobicContact CG-CD1 3.87Å; M74-I126 HydrophobicContact SD-CD1 3.75Å; L75-I126 HydrophobicContact CB-CD1 4.41Å; L75-I126 HydrophobicContact CB-CG1 4.09Å; L75-I126 HydrophobicContact CD1-CG1 3.86Å; V78-I126 HydrophobicContact CG2-CG2 4.41Å; F123-I126 HydrophobicContact CB-CB 4.22Å; F123-I126 HydrophobicContact CB-CD1 4.11Å; F123-I126 HydrophobicContact CB-CG1 4.29Å; F123-I126 HydrophobicContact CD2-CD1 4.24Å; F123-I126 HydrophobicContact CG-CD1 4.4Å; F123-I126 PolarHBondContact O-N 3.18Å; F123-I126 VanDerWaalsContact O-N 3.11Å; A124-I126 VanDerWaalsContact C-N 3.33Å; A124-I126 PolarHBondContact O-N 3.2Å; I126-N128 PolarHBondContact O-N 3Å; I126-L129 WeakPolarHBondContact O-CB 3.42Å; I126-L129 PolarHBondContact O-N 3.5Å; I126-F130 HydrophobicContact CG2-CE1 3.99Å; I126-F130 HydrophobicContact CG2-CE2 4.15Å; I126-F130 HydrophobicContact CG2-CZ 3.48Å; I126-F130 VanDerWaalsContact CG2-CZ 3.48Å |
| 127 | R | 98.6 | Very high | 98.6 | Very high | 26 Ų | 26 | 27.9 Ų | 27.9 | 10% | 0.098 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -54.5 | -39.3 | 179.7 | 179.8 | 177.5 | 63.4 | -118.9 | -0.4 | 112.5 | L121 Y122 F123 A124 L129 F130 K133 | L121-R127 HydrophobicContact CD2-CG 4.28Å; L121-R127 WeakPolarHBondContact O-CD 3.44Å; L121-R127 PolarHBondContact O-NH1 2.86Å; Y122-R127 PolarHBondContact O-NH1 3.41Å; F123-R127 WeakPolarHBondContact O-CB 3.3Å; F123-R127 PolarHBondContact O-N 2.92Å; A124-R127 PolarHBondContact O-N 3.42Å; R127-L129 PolarHBondContact O-N 3.39Å; R127-F130 PolarHBondContact O-N 3.13Å; R127-K133 HydrophobicContact CG-CD 3.91Å; R127-K133 PolarHBondContact O-NZ 3.39Å |
| 128 | N | 98.5 | Very high | 98.6 | Very high | 110 Ų | 110 | 28.5 Ų | 28.5 | 59% | 0.588 | 15% | 0.145 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -11.2 | 179.7 | -69.2 | -9.1 | 0 | 0 | 0 | 113.3 | A124 I126 | A124-N128 VanDerWaalsContact O-CB 3.26Å; A124-N128 WeakPolarHBondContact O-CB 3.31Å; A124-N128 PolarHBondContact O-N 3.11Å; A124-N128 PolarHBondContact O-ND2 3.4Å; A124-N128 PolarHBondContact O-OD1 3.5Å; I126-N128 PolarHBondContact O-N 3Å |
| 129 | L | 98.5 | Very high | 98.5 | Very high | 31 Ų | 31 | 33 Ų | 33 | 16% | 0.162 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -6 | 174.7 | -60.7 | 171.6 | 0 | 0 | 0 | 113.4 | L75 V78 R79 R82 E125 I126 R127 | L75-L129 HydrophobicContact CD1-CD1 3.71Å; V78-L129 HydrophobicContact CB-CD1 4.27Å; V78-L129 HydrophobicContact CG1-CB 3.78Å; V78-L129 HydrophobicContact CG1-CD1 3.82Å; V78-L129 HydrophobicContact CG1-CG 4.47Å; R79-L129 HydrophobicContact CG-CD1 3.68Å; R79-L129 HydrophobicContact CG-CD2 4.48Å; R82-L129 PolarHBondContact NH1-O 2.67Å; E125-L129 WeakPolarHBondContact O-CG 3.32Å; I126-L129 WeakPolarHBondContact O-CB 3.42Å; I126-L129 PolarHBondContact O-N 3.5Å; R127-L129 PolarHBondContact O-N 3.39Å |
| 130 | F | 98.7 | Very high | 98.4 | Very high | 8 Ų | 8 | 36.1 Ų | 36.1 | 4% | 0.035 | 19% | 0.189 | C | C | . | . | trans | -86.7 | 138.1 | 176.2 | -52.6 | -33.2 | 0 | 0 | 0 | 110.9 | V6 V78 V115 V120 L121 I126 R127 K133 | V6-F130 HydrophobicContact CB-CD1 4.32Å; V6-F130 HydrophobicContact CG1-CD1 3.6Å; V6-F130 HydrophobicContact CG1-CE1 4Å; V6-F130 CarbonylContact O-C 3.51Å; V6-F130 WeakPolarHBondContact O-CA 3.3Å; V78-F130 HydrophobicContact CG1-CD1 4.43Å; V78-F130 HydrophobicContact CG1-CE1 3.99Å; V78-F130 HydrophobicContact CG2-CE1 4.5Å; V115-F130 HydrophobicContact CB-CE1 4.07Å; V115-F130 HydrophobicContact CB-CZ 4.22Å; V115-F130 HydrophobicContact CG1-CE1 4.34Å; V115-F130 HydrophobicContact CG1-CZ 4.19Å; V115-F130 HydrophobicContact CG2-CE1 4.27Å; V120-F130 HydrophobicContact CB-CE2 4.14Å; V120-F130 HydrophobicContact CB-CZ 4.2Å; V120-F130 HydrophobicContact CG2-CE2 4.5Å; V120-F130 VanDerWaalsContact O-CE2 3.32Å; V120-F130 WeakPolarHBondContact O-CE2 3.14Å; L121-F130 HydrophobicContact CD2-CD2 3.89Å; L121-F130 HydrophobicContact CD2-CE2 3.99Å; I126-F130 HydrophobicContact CG2-CE1 3.99Å; I126-F130 HydrophobicContact CG2-CE2 4.15Å; I126-F130 HydrophobicContact CG2-CZ 3.48Å; I126-F130 VanDerWaalsContact CG2-CZ 3.48Å; R127-F130 PolarHBondContact O-N 3.13Å; F130-K133 HydrophobicContact CB-CG 4.09Å; F130-K133 HydrophobicContact CD2-CG 4.42Å; F130-K133 PolarHBondContact O-NZ 3.25Å | ||
| 131 | D | 98.5 | Very high | 98.3 | Very high | 47 Ų | 47 | 41 Ų | 41 | 25% | 0.251 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -86.1 | -27.1 | 176.1 | -53.6 | -67.7 | 0 | 0 | 0 | 111.9 | F5 V6 R82 | F5-D131 HydrophobicContact CD1-CB 4.34Å; F5-D131 HydrophobicContact CD2-CB 3.6Å; F5-D131 HydrophobicContact CE1-CB 4.12Å; F5-D131 HydrophobicContact CE2-CB 3.33Å; F5-D131 HydrophobicContact CG-CB 4.12Å; F5-D131 HydrophobicContact CZ-CB 3.62Å; V6-D131 PolarHBondContact N-OD2 3.48Å; V6-D131 PolarHBondContact O-N 3.18Å; R82-D131 IonicContact CZ-OD1 3.95Å; R82-D131 VanDerWaalsContact NH1-CG 3.28Å; R82-D131 IonicContact NH1-OD1 3.36Å; R82-D131 PolarHBondContact NH1-OD1 3.41Å; R82-D131 IonicContact NH1-OD2 3.87Å; R82-D131 PolarHBondContact NH1-OD2 2.97Å; R82-D131 IonicContact NH2-OD1 3.96Å; R82-D131 PolarHBondContact NH2-OD1 2.86Å |
| 132 | L | 98.7 | Very high | 98.2 | Very high | 19 Ų | 19 | 44.3 Ų | 44.3 | 10% | 0.099 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 139.5 | 171.9 | 178.6 | 64.4 | 0 | 0 | 0 | 110.6 | F5 V6 I7 G8 L134 D186 V187 I202 | F5-L132 HydrophobicContact CE1-CB 3.95Å; F5-L132 HydrophobicContact CZ-CB 4.09Å; V6-L132 PolarHBondContact O-N 3.43Å; I7-L132 CarbonylContact C-O 3.53Å; I7-L132 VanDerWaalsContact CA-O 3.3Å; I7-L132 WeakPolarHBondContact CA-O 3.45Å; I7-L132 HydrophobicContact CD1-CD2 4.25Å; I7-L132 HydrophobicContact CG1-CB 4.23Å; I7-L132 HydrophobicContact CG2-CB 4.21Å; I7-L132 HydrophobicContact CG2-CD2 4.25Å; I7-L132 HydrophobicContact CG2-CG 4.23Å; G8-L132 PolarHBondContact N-O 2.62Å; L132-L134 HydrophobicContact CD1-CD2 4.31Å; L132-L134 HydrophobicContact CD2-CD2 3.96Å; L132-L134 HydrophobicContact CG-CD2 3.91Å; L132-L134 HydrophobicContact CG-CG 4.49Å; L132-D186 HydrophobicContact CD1-CB 3.85Å; L132-V187 HydrophobicContact CD1-CG2 4.48Å; L132-I202 HydrophobicContact CD2-CD1 4.36Å |
| 133 | K | 98.8 | Very high | 98.1 | Very high | 30 Ų | 30 | 40.5 Ų | 40.5 | 13% | 0.13 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 113.4 | -176.2 | -56.4 | 168 | -141.7 | -45.6 | 0 | 109.7 | G8 L121 R127 F130 F184 A185 D186 V187 | G8-K133 CarbonylContact O-C 3.56Å; G8-K133 WeakPolarHBondContact O-CA 3.27Å; L121-K133 HydrophobicContact CD2-CB 3.96Å; L121-K133 HydrophobicContact CD2-CD 4.43Å; L121-K133 HydrophobicContact CD2-CG 4.04Å; R127-K133 HydrophobicContact CG-CD 3.91Å; R127-K133 PolarHBondContact O-NZ 3.39Å; F130-K133 HydrophobicContact CB-CG 4.09Å; F130-K133 HydrophobicContact CD2-CG 4.42Å; F130-K133 PolarHBondContact O-NZ 3.25Å; K133-F184 VanDerWaalsContact CD-O 3.28Å; K133-F184 WeakPolarHBondContact CD-O 3.41Å; K133-A185 CarbonylContact O-C 3.6Å; K133-D186 WeakPolarHBondContact CB-OD2 3.37Å; K133-D186 PolarHBondContact N-OD2 2.76Å; K133-D186 PolarHBondContact O-N 2.78Å; K133-V187 PolarHBondContact O-N 2.96Å |
| 134 | L | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 141.7 | 177.7 | -50.3 | -177.5 | 0 | 0 | 0 | 109.4 | I7 G8 V9 G10 L132 V187 I189 I202 | I7-L134 HydrophobicContact CG2-CD1 3.81Å; I7-L134 HydrophobicContact CG2-CG 3.84Å; G8-L134 PolarHBondContact O-N 3.29Å; V9-L134 HydrophobicContact CG1-CB 4.39Å; V9-L134 HydrophobicContact CG2-CB 4.33Å; V9-L134 HydrophobicContact CG2-CD1 4.09Å; V9-L134 HydrophobicContact CG2-CG 4.48Å; G10-L134 PolarHBondContact N-O 2.83Å; L132-L134 HydrophobicContact CD1-CD2 4.31Å; L132-L134 HydrophobicContact CD2-CD2 3.96Å; L132-L134 HydrophobicContact CG-CD2 3.91Å; L132-L134 HydrophobicContact CG-CG 4.49Å; L134-V187 CarbonylContact C-O 3.6Å; L134-V187 WeakPolarHBondContact CA-O 3.47Å; L134-V187 HydrophobicContact CD2-CB 3.74Å; L134-V187 HydrophobicContact CD2-CG1 4.43Å; L134-V187 HydrophobicContact CD2-CG2 4.23Å; L134-I189 HydrophobicContact CB-CD1 4.43Å; L134-I189 HydrophobicContact CD1-CD1 4.09Å; L134-I202 HydrophobicContact CD1-CD1 4.39Å; L134-I202 HydrophobicContact CD1-CG1 4.27Å; L134-I202 HydrophobicContact CD1-CG2 4.25Å; L134-I202 HydrophobicContact CD2-CD1 3.79Å; L134-I202 HydrophobicContact CD2-CG1 4.48Å |
| 135 | F | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 116.7 | 167.7 | -169 | -81.3 | 0 | 0 | 0 | 110.4 | G10 L121 D137 K182 A185 V187 I188 I189 | G10-F135 CarbonylContact O-C 3.58Å; G10-F135 WeakPolarHBondContact O-CA 3.23Å; L121-F135 HydrophobicContact CD1-CD2 4.35Å; F135-D137 HydrophobicContact CD1-CB 4.28Å; F135-D137 HydrophobicContact CE1-CB 4.46Å; F135-D137 PolarHBondContact O-N 2.71Å; F135-K182 HydrophobicContact CB-CG 4.39Å; F135-K182 HydrophobicContact CD1-CB 4.13Å; F135-K182 HydrophobicContact CD1-CD 3.97Å; F135-K182 HydrophobicContact CD1-CG 3.77Å; F135-K182 HydrophobicContact CD2-CB 3.91Å; F135-K182 HydrophobicContact CD2-CG 4.33Å; F135-K182 HydrophobicContact CE1-CB 4.14Å; F135-K182 HydrophobicContact CE1-CD 3.92Å; F135-K182 HydrophobicContact CE1-CG 4.07Å; F135-K182 HydrophobicContact CE2-CB 3.91Å; F135-K182 HydrophobicContact CG-CB 4.02Å; F135-K182 HydrophobicContact CG-CG 3.91Å; F135-K182 HydrophobicContact CZ-CB 4.02Å; F135-K182 HydrophobicContact CZ-CG 4.46Å; F135-A185 HydrophobicContact CB-CB 3.61Å; F135-V187 PolarHBondContact N-O 3.36Å; F135-I188 CarbonylContact O-C 3.58Å; F135-I188 WeakPolarHBondContact O-CA 3.38Å; F135-I189 PolarHBondContact O-N 3.38Å |
| 136 | V | 98.8 | Very high | 98 | Very high | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.006 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 112.6 | 177.7 | -178 | 0 | 0 | 0 | 0 | 110 | V9 G10 S15 K17 V20 I189 G192 | V9-V136 HydrophobicContact CG1-CG2 3.92Å; G10-V136 PolarHBondContact O-N 3.43Å; S15-V136 WeakPolarHBondContact CB-O 3.4Å; S15-V136 VanDerWaalsContact O-CG1 3.24Å; S15-V136 WeakPolarHBondContact O-CG1 3.4Å; S15-V136 PolarHBondContact OG-O 3.34Å; K17-V136 HydrophobicContact CG-CB 4.07Å; K17-V136 HydrophobicContact CG-CG2 4.18Å; V20-V136 HydrophobicContact CB-CG2 4.34Å; V20-V136 HydrophobicContact CG2-CG1 4.45Å; V20-V136 HydrophobicContact CG2-CG2 3.98Å; V136-I189 HydrophobicContact CG2-CB 4.49Å; V136-G192 VanDerWaalsContact CG1-CA 3.5Å |
| 137 | D | 98.3 | Very high | 98 | Very high | 42 Ų | 42 | 41 Ų | 41 | 23% | 0.225 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 127.2 | -172.4 | -162.8 | 45.4 | 0 | 0 | 0 | 111 | F135 K182 I188 I189 R191 | F135-D137 HydrophobicContact CD1-CB 4.28Å; F135-D137 HydrophobicContact CE1-CB 4.46Å; F135-D137 PolarHBondContact O-N 2.71Å; D137-K182 IonicContact OD1-NZ 2.7Å; D137-K182 PolarHBondContact OD1-NZ 3.04Å; D137-K182 IonicContact OD2-NZ 3.75Å; D137-K182 PolarHBondContact OD2-NZ 3.15Å; D137-I188 HydrophobicContact CB-CG2 3.76Å; D137-I189 PolarHBondContact N-O 3.43Å; D137-R191 PolarHBondContact O-N 3.4Å |
| 138 | T | 97.4 | Very high | 98 | Very high | 14 Ų | 14 | 41 Ų | 41 | 9% | 0.086 | 22% | 0.222 | C | C | . | . | trans | -154.4 | 141.1 | -176.6 | -57.6 | 0 | 0 | 0 | 0 | 109.4 | S15 I142 R143 | S15-T138 PolarHBondContact O-OG1 3.28Å; T138-I142 HydrophobicContact CG2-CB 3.93Å; T138-I142 HydrophobicContact CG2-CG2 3.7Å; T138-R143 HydrophobicContact CG2-CG 3.92Å; T138-R143 WeakPolarHBondContact O-CD 3.17Å; T138-R143 PolarHBondContact O-NE 2.96Å | ||
| 139 | D | 96.2 | Very high | 97.9 | Very high | 107 Ų | 107 | 41.4 Ų | 41.4 | 57% | 0.572 | 22% | 0.22 | S | C | * | . | trans | -58.1 | 144.3 | -177.4 | -61.4 | -33.9 | 0 | 0 | 0 | 112.3 | D141 I142 R143 | D139-D141 VanDerWaalsContact C-N 3.32Å; D139-D141 WeakPolarHBondContact CB-OD1 3.38Å; D139-D141 PolarHBondContact O-N 3.46Å; D139-I142 HydrophobicContact CB-CG1 4.3Å; D139-I142 PolarHBondContact O-N 3.45Å; D139-R143 WeakPolarHBondContact O-CG 3.33Å; D139-R143 PolarHBondContact O-N 3.49Å | ||
| 140 | P | 96.4 | Very high | 97.8 | Very high | 67 Ų | 67 | 42.2 Ų | 42.2 | 44% | 0.435 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -63.2 | -33 | -172.4 | 23.2 | -33.2 | 0 | 0 | 0 | 114.4 | L144 Y166 | P140-L144 VanDerWaalsContact O-CB 3.3Å; P140-L144 WeakPolarHBondContact O-CB 3.44Å; P140-L144 PolarHBondContact O-N 2.96Å; P140-Y166 PolarHBondContact O-OH 2.97Å |
| 141 | D | 97 | Very high | 97.7 | Very high | 103 Ų | 103 | 41.8 Ų | 41.8 | 55% | 0.551 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -69.1 | -44.3 | 177 | 60 | -25.8 | 0 | 0 | 0 | 111.7 | D139 L144 A145 | D139-D141 VanDerWaalsContact C-N 3.32Å; D139-D141 WeakPolarHBondContact CB-OD1 3.38Å; D139-D141 PolarHBondContact O-N 3.46Å; D141-L144 PolarHBondContact O-N 2.86Å; D141-A145 WeakPolarHBondContact O-CB 3.27Å; D141-A145 PolarHBondContact O-N 3.44Å |
| 142 | I | 96.8 | Very high | 97.6 | Very high | 70 Ų | 70 | 42.7 Ų | 42.7 | 36% | 0.359 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.9 | -45 | 173.3 | -59.9 | -58.8 | 0 | 0 | 0 | 110.6 | T138 D139 L144 A145 R146 | T138-I142 HydrophobicContact CG2-CB 3.93Å; T138-I142 HydrophobicContact CG2-CG2 3.7Å; D139-I142 HydrophobicContact CB-CG1 4.3Å; D139-I142 PolarHBondContact O-N 3.45Å; I142-L144 PolarHBondContact O-N 2.92Å; I142-A145 PolarHBondContact O-N 2.91Å; I142-R146 WeakPolarHBondContact O-CB 3.33Å; I142-R146 WeakPolarHBondContact O-CG 3.28Å; I142-R146 PolarHBondContact O-N 3.09Å |
| 143 | R | 97.1 | Very high | 97.5 | Very high | 8 Ų | 8 | 49.3 Ų | 49.3 | 3% | 0.03 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.6 | -43.4 | 175.5 | -71.5 | -173.7 | -67.2 | 107.3 | -9.7 | 111.9 | T13 A14 T138 D139 R146 R147 Y174 | T13-R143 WeakPolarHBondContact O-CD 3.44Å; A14-R143 WeakPolarHBondContact CB-O 3.35Å; T138-R143 HydrophobicContact CG2-CG 3.92Å; T138-R143 WeakPolarHBondContact O-CD 3.17Å; T138-R143 PolarHBondContact O-NE 2.96Å; D139-R143 WeakPolarHBondContact O-CG 3.33Å; D139-R143 PolarHBondContact O-N 3.49Å; R143-R146 PolarHBondContact O-N 2.96Å; R143-R147 VanDerWaalsContact O-CB 3.31Å; R143-R147 WeakPolarHBondContact O-CB 3.3Å; R143-R147 PolarHBondContact O-N 3.28Å; R143-Y174 VanDerWaalsContact NH2-CE1 3.27Å |
| 144 | L | 98.2 | Very high | 97.2 | Very high | 44 Ų | 44 | 53.8 Ų | 53.8 | 23% | 0.23 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61 | -49.6 | 176.7 | 174.2 | 57.9 | 0 | 0 | 0 | 110.9 | P140 D141 I142 R146 R147 V148 L163 Y166 | P140-L144 VanDerWaalsContact O-CB 3.3Å; P140-L144 WeakPolarHBondContact O-CB 3.44Å; P140-L144 PolarHBondContact O-N 2.96Å; D141-L144 PolarHBondContact O-N 2.86Å; I142-L144 PolarHBondContact O-N 2.92Å; L144-R146 VanDerWaalsContact C-N 3.35Å; L144-R146 PolarHBondContact O-N 2.96Å; L144-R147 PolarHBondContact O-N 3.23Å; L144-R147 VanDerWaalsContact O-N 3.16Å; L144-V148 HydrophobicContact CD1-CG2 3.89Å; L144-V148 HydrophobicContact CG-CG2 4.43Å; L144-V148 WeakPolarHBondContact O-CG2 3.48Å; L144-V148 PolarHBondContact O-N 2.78Å; L144-L163 HydrophobicContact CD1-CD2 4.31Å; L144-Y166 HydrophobicContact CB-CE1 4.43Å; L144-Y166 HydrophobicContact CB-CE2 3.99Å; L144-Y166 HydrophobicContact CD1-CD1 3.83Å; L144-Y166 HydrophobicContact CD1-CD2 3.67Å; L144-Y166 HydrophobicContact CD1-CE1 4.1Å; L144-Y166 HydrophobicContact CD1-CE2 3.93Å; L144-Y166 HydrophobicContact CD1-CG 3.59Å; L144-Y166 HydrophobicContact CD2-CD1 4.22Å; L144-Y166 HydrophobicContact CD2-CE1 3.95Å; L144-Y166 HydrophobicContact CG-CE1 4.39Å; L144-Y166 HydrophobicContact CG-CE2 4.45Å |
| 145 | A | 98.1 | Very high | 96.9 | Very high | 52 Ų | 52 | 55.4 Ų | 55.4 | 43% | 0.43 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -57.7 | -46.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | D141 I142 V148 Q149 | D141-A145 WeakPolarHBondContact O-CB 3.27Å; D141-A145 PolarHBondContact O-N 3.44Å; I142-A145 PolarHBondContact O-N 2.91Å; A145-V148 PolarHBondContact O-N 2.61Å; A145-Q149 WeakPolarHBondContact O-CG 3.36Å; A145-Q149 PolarHBondContact O-N 2.89Å; A145-Q149 VanDerWaalsContact O-N 3.08Å |
| 146 | R | 97.7 | Very high | 96.5 | Very high | 74 Ų | 74 | 58.2 Ų | 58.2 | 28% | 0.279 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.3 | -42.3 | 175.7 | -70.8 | 172.8 | -179.4 | 172.6 | -0.4 | 112 | A14 I142 R143 L144 Q149 R150 E194 | A14-R146 HydrophobicContact CB-CB 3.81Å; A14-R146 WeakPolarHBondContact O-CD 3.45Å; I142-R146 WeakPolarHBondContact O-CB 3.33Å; I142-R146 WeakPolarHBondContact O-CG 3.28Å; I142-R146 PolarHBondContact O-N 3.09Å; R143-R146 PolarHBondContact O-N 2.96Å; L144-R146 VanDerWaalsContact C-N 3.35Å; L144-R146 PolarHBondContact O-N 2.96Å; R146-Q149 PolarHBondContact O-N 2.72Å; R146-R150 WeakPolarHBondContact O-CB 3.21Å; R146-R150 PolarHBondContact O-N 2.88Å; R146-E194 IonicContact CZ-OE1 3.58Å; R146-E194 IonicContact NH2-OE1 3.63Å; R146-E194 PolarHBondContact NH2-OE1 2.88Å |
| 147 | R | 97.5 | Very high | 96.2 | Very high | 7 Ų | 7 | 59.3 Ų | 59.3 | 3% | 0.026 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.6 | -45.3 | 177 | -178.1 | 173.1 | -165.9 | -86.7 | -0.1 | 111.4 | A14 R143 L144 R150 D151 V162 | A14-R147 HydrophobicContact CB-CB 4.07Å; R143-R147 VanDerWaalsContact O-CB 3.31Å; R143-R147 WeakPolarHBondContact O-CB 3.3Å; R143-R147 PolarHBondContact O-N 3.28Å; L144-R147 PolarHBondContact O-N 3.23Å; L144-R147 VanDerWaalsContact O-N 3.16Å; R147-R150 PolarHBondContact O-N 3.24Å; R147-D151 IonicContact CZ-OD2 2.7Å; R147-D151 IonicContact NE-OD2 3.16Å; R147-D151 IonicContact NH1-OD2 3.52Å; R147-D151 IonicContact NH2-OD2 3.52Å; R147-D151 WeakPolarHBondContact O-CB 3.2Å; R147-D151 PolarHBondContact O-N 2.88Å; R147-V162 PolarHBondContact NH1-O 2.99Å |
| 148 | V | 98.4 | Very high | 96 | Very high | 28 Ų | 28 | 61.7 Ų | 61.7 | 17% | 0.17 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -57.1 | -52.7 | 176.7 | 169.4 | 0 | 0 | 0 | 0 | 109.8 | L144 A145 R150 D151 L152 L159 V162 L163 | L144-V148 HydrophobicContact CD1-CG2 3.89Å; L144-V148 HydrophobicContact CG-CG2 4.43Å; L144-V148 WeakPolarHBondContact O-CG2 3.48Å; L144-V148 PolarHBondContact O-N 2.78Å; A145-V148 PolarHBondContact O-N 2.61Å; V148-R150 PolarHBondContact O-N 3.16Å; V148-D151 PolarHBondContact O-N 3.14Å; V148-L152 HydrophobicContact CG1-CD1 4.11Å; V148-L152 HydrophobicContact CG1-CD2 4.42Å; V148-L152 WeakPolarHBondContact O-CB 3.25Å; V148-L152 WeakPolarHBondContact O-CD1 3.31Å; V148-L152 PolarHBondContact O-N 3.2Å; V148-L152 VanDerWaalsContact O-N 3.07Å; V148-L159 HydrophobicContact CG1-CD1 3.75Å; V148-V162 HydrophobicContact CG2-CG1 3.95Å; V148-L163 HydrophobicContact CG2-CD2 4.24Å |
| 149 | Q | 97.8 | Very high | 96 | Very high | 118 Ų | 118 | 64.9 Ų | 64.9 | 55% | 0.551 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -59.5 | -46.8 | -179.5 | -70.8 | 179.9 | -20 | 0 | 0 | 112.9 | A145 R146 K153 | A145-Q149 WeakPolarHBondContact O-CG 3.36Å; A145-Q149 PolarHBondContact O-N 2.89Å; A145-Q149 VanDerWaalsContact O-N 3.08Å; R146-Q149 PolarHBondContact O-N 2.72Å; Q149-K153 WeakPolarHBondContact O-CB 3.16Å; Q149-K153 VanDerWaalsContact O-CG 3.31Å; Q149-K153 WeakPolarHBondContact O-CG 3.25Å; Q149-K153 PolarHBondContact O-N 3.07Å; Q149-K153 VanDerWaalsContact O-N 3.1Å |
| 150 | R | 96.2 | Very high | 96 | Very high | 47 Ų | 47 | 67.2 Ų | 67.2 | 18% | 0.177 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.4 | -50.5 | 179.2 | -176.6 | -164.1 | 64.7 | -163.6 | -5.2 | 112 | T13 R146 R147 V148 L152 K153 E154 R155 | T13-R150 PolarHBondContact OG1-NH2 3.44Å; R146-R150 WeakPolarHBondContact O-CB 3.21Å; R146-R150 PolarHBondContact O-N 2.88Å; R147-R150 PolarHBondContact O-N 3.24Å; V148-R150 PolarHBondContact O-N 3.16Å; R150-L152 VanDerWaalsContact C-N 3.32Å; R150-L152 PolarHBondContact O-N 3.43Å; R150-K153 PolarHBondContact O-N 3.45Å; R150-E154 WeakPolarHBondContact CG-OE2 3.41Å; R150-E154 WeakPolarHBondContact O-CB 3.16Å; R150-E154 PolarHBondContact O-N 2.86Å; R150-R155 PolarHBondContact O-N 2.85Å |
| 151 | D | 96.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -68.5 | -34 | -172.7 | -78 | 23.8 | 0 | 0 | 0 | 111.6 | R147 V148 R155 G156 R157 V162 | R147-D151 IonicContact CZ-OD2 2.7Å; R147-D151 IonicContact NE-OD2 3.16Å; R147-D151 IonicContact NH1-OD2 3.52Å; R147-D151 IonicContact NH2-OD2 3.52Å; R147-D151 WeakPolarHBondContact O-CB 3.2Å; R147-D151 PolarHBondContact O-N 2.88Å; V148-D151 PolarHBondContact O-N 3.14Å; D151-R155 CarbonylContact O-C 3.57Å; D151-R155 PolarHBondContact O-N 3.41Å; D151-R155 WeakPolarHBondContact OD1-CD 3.39Å; D151-R155 IonicContact OD1-NE 2.66Å; D151-R155 IonicContact OD1-NH1 3.97Å; D151-G156 PolarHBondContact O-N 3.08Å; D151-G156 VanDerWaalsContact O-N 3.13Å; D151-R157 HydrophobicContact CB-CB 4.4Å; D151-R157 HydrophobicContact CB-CG 4.49Å; D151-R157 PolarHBondContact O-N 3.42Å; D151-R157 IonicContact OD2-CZ 3.49Å; D151-R157 IonicContact OD2-NE 3.93Å; D151-R157 IonicContact OD2-NH1 3.26Å; D151-R157 PolarHBondContact OD2-NH1 3.4Å; D151-V162 HydrophobicContact CB-CG1 4.4Å; D151-V162 HydrophobicContact CB-CG2 3.68Å |
| 152 | L | 96.1 | Very high | 95.8 | Very high | 66 Ų | 66 | 61 Ų | 61 | 35% | 0.346 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -69.8 | -49.9 | 173.6 | -88.4 | 65.5 | 0 | 0 | 0 | 111.6 | V148 R150 L159 V162 | V148-L152 HydrophobicContact CG1-CD1 4.11Å; V148-L152 HydrophobicContact CG1-CD2 4.42Å; V148-L152 WeakPolarHBondContact O-CB 3.25Å; V148-L152 WeakPolarHBondContact O-CD1 3.31Å; V148-L152 PolarHBondContact O-N 3.2Å; V148-L152 VanDerWaalsContact O-N 3.07Å; R150-L152 VanDerWaalsContact C-N 3.32Å; R150-L152 PolarHBondContact O-N 3.43Å; L152-L159 HydrophobicContact CD1-CD1 4.39Å; L152-L159 HydrophobicContact CD2-CB 4.39Å; L152-L159 HydrophobicContact CD2-CD1 4.45Å; L152-V162 HydrophobicContact CD1-CB 4.33Å; L152-V162 HydrophobicContact CD1-CG2 3.94Å |
| 153 | K | 95.6 | Very high | 95.8 | Very high | 158 Ų | 158 | 61 Ų | 61 | 69% | 0.687 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -79.2 | -43.1 | -171.3 | -68.4 | 179.4 | 178.6 | -177.9 | 0 | 113.7 | Q149 R150 | Q149-K153 WeakPolarHBondContact O-CB 3.16Å; Q149-K153 VanDerWaalsContact O-CG 3.31Å; Q149-K153 WeakPolarHBondContact O-CG 3.25Å; Q149-K153 PolarHBondContact O-N 3.07Å; Q149-K153 VanDerWaalsContact O-N 3.1Å; R150-K153 PolarHBondContact O-N 3.45Å |
| 154 | E | 93.8 | Very high | 95.8 | Very high | 124 Ų | 124 | 63.9 Ų | 63.9 | 58% | 0.579 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.4 | -40.5 | -169.3 | -62 | 164.6 | -142.2 | 0 | 0 | 111.3 | R95 R150 | R95-E154 PolarHBondContact NE-O 2.85Å; R95-E154 VanDerWaalsContact NE-O 3.17Å; R95-E154 PolarHBondContact NH2-O 3.24Å; R150-E154 WeakPolarHBondContact CG-OE2 3.41Å; R150-E154 WeakPolarHBondContact O-CB 3.16Å; R150-E154 PolarHBondContact O-N 2.86Å |
| 155 | R | 92.6 | Very high | 95.7 | Very high | 33 Ų | 33 | 62 Ų | 62 | 13% | 0.125 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -97.5 | -3.1 | -174.1 | -53.5 | -178.6 | 174.1 | -165.9 | -9.8 | 113.9 | D42 Y94 R150 D151 R157 | D42-R155 IonicContact OD2-NH2 3.37Å; Y94-R155 VanDerWaalsContact CD1-CZ 3.46Å; Y94-R155 HydrophobicContact CG-CG 4.43Å; R150-R155 PolarHBondContact O-N 2.85Å; D151-R155 CarbonylContact O-C 3.57Å; D151-R155 PolarHBondContact O-N 3.41Å; D151-R155 WeakPolarHBondContact OD1-CD 3.39Å; D151-R155 IonicContact OD1-NE 2.66Å; D151-R155 IonicContact OD1-NH1 3.97Å; R155-R157 VanDerWaalsContact C-N 3.33Å; R155-R157 HydrophobicContact CB-CG 4.2Å; R155-R157 PolarHBondContact O-N 3.07Å |
| 156 | G | 90.7 | Very high | 95.7 | Very high | 59 Ų | 59 | 60.2 Ų | 60.2 | 61% | 0.608 | 30% | 0.297 | S | S | * | . | trans | 65.4 | 30.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | D151 | D151-G156 PolarHBondContact O-N 3.08Å; D151-G156 VanDerWaalsContact O-N 3.13Å | ||
| 157 | R | 92 | Very high | 95.7 | Very high | 25 Ų | 25 | 61.9 Ų | 61.9 | 9% | 0.094 | 31% | 0.311 | C | S | . | . | trans | -91.5 | 150.7 | -178.6 | -58.1 | -175.9 | -176.8 | 175.6 | -10.4 | 111.6 | H97 D151 R155 V162 | H97-R157 PolarHBondContact CE1-NH2 2.84Å; D151-R157 HydrophobicContact CB-CB 4.4Å; D151-R157 HydrophobicContact CB-CG 4.49Å; D151-R157 PolarHBondContact O-N 3.42Å; D151-R157 IonicContact OD2-CZ 3.49Å; D151-R157 IonicContact OD2-NE 3.93Å; D151-R157 IonicContact OD2-NH1 3.26Å; D151-R157 PolarHBondContact OD2-NH1 3.4Å; R155-R157 VanDerWaalsContact C-N 3.33Å; R155-R157 HydrophobicContact CB-CG 4.2Å; R155-R157 PolarHBondContact O-N 3.07Å; R157-V162 HydrophobicContact CB-CG2 3.58Å | ||
| 158 | D | 94.2 | Very high | 95.7 | Very high | 92 Ų | 92 | 66.9 Ų | 66.9 | 49% | 0.492 | 33% | 0.334 | S | S | . | . | trans | -76.2 | 149.6 | 173.6 | 176.2 | 66.5 | 0 | 0 | 0 | 112.4 | E160 Q161 V162 | D158-E160 WeakPolarHBondContact OD2-CA 3.2Å; D158-E160 WeakPolarHBondContact OD2-CB 3.46Å; D158-E160 PolarHBondContact OD2-N 3.41Å; D158-Q161 HydrophobicContact CB-CB 4.16Å; D158-Q161 PolarHBondContact O-N 2.99Å; D158-Q161 PolarHBondContact OD2-N 3.3Å; D158-V162 VanDerWaalsContact O-CG2 3.27Å; D158-V162 WeakPolarHBondContact O-CG2 3.49Å; D158-V162 PolarHBondContact O-N 3.1Å | ||
| 159 | L | 96.4 | Very high | 95.6 | Very high | 80 Ų | 80 | 68.2 Ų | 68.2 | 42% | 0.419 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.5 | -45.5 | -178.7 | 179.6 | 61.1 | 0 | 0 | 0 | 112.5 | V148 L152 Q161 V162 L163 | V148-L159 HydrophobicContact CG1-CD1 3.75Å; L152-L159 HydrophobicContact CD1-CD1 4.39Å; L152-L159 HydrophobicContact CD2-CB 4.39Å; L152-L159 HydrophobicContact CD2-CD1 4.45Å; L159-Q161 VanDerWaalsContact C-N 3.31Å; L159-Q161 PolarHBondContact O-N 3.13Å; L159-V162 PolarHBondContact O-N 3.28Å; L159-L163 HydrophobicContact CD1-CD1 4.09Å; L159-L163 HydrophobicContact CD1-CG 4.11Å; L159-L163 HydrophobicContact CG-CD1 4.11Å; L159-L163 HydrophobicContact CG-CG 4.49Å; L159-L163 WeakPolarHBondContact O-CG 3.12Å; L159-L163 PolarHBondContact O-N 3.03Å |
| 160 | E | 96 | Very high | 95.7 | Very high | 156 Ų | 156 | 62.7 Ų | 62.7 | 73% | 0.729 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -63.2 | -43.3 | -180 | -170.1 | 179.2 | 176.3 | 0 | 0 | 110.1 | D158 V162 L163 H164 | D158-E160 WeakPolarHBondContact OD2-CA 3.2Å; D158-E160 WeakPolarHBondContact OD2-CB 3.46Å; D158-E160 PolarHBondContact OD2-N 3.41Å; E160-V162 PolarHBondContact O-N 3.42Å; E160-L163 PolarHBondContact O-N 3.13Å; E160-H164 VanDerWaalsContact O-CB 3.26Å; E160-H164 WeakPolarHBondContact O-CB 3.27Å; E160-H164 PolarHBondContact O-N 2.85Å |
| 161 | Q | 93.6 | Very high | 95.8 | Very high | 41 Ų | 41 | 64.8 Ų | 64.8 | 19% | 0.192 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.1 | -43 | 175.6 | -170.1 | -175.2 | 5 | 0 | 0 | 112.3 | N57 G59 D158 L159 Q165 | N57-Q161 PolarHBondContact O-NE2 3.4Å; N57-Q161 VanDerWaalsContact O-NE2 3.15Å; G59-Q161 VanDerWaalsContact CA-NE2 3.27Å; D158-Q161 HydrophobicContact CB-CB 4.16Å; D158-Q161 PolarHBondContact O-N 2.99Å; D158-Q161 PolarHBondContact OD2-N 3.3Å; L159-Q161 VanDerWaalsContact C-N 3.31Å; L159-Q161 PolarHBondContact O-N 3.13Å; Q161-Q165 WeakPolarHBondContact O-CB 3.46Å; Q161-Q165 PolarHBondContact O-N 3.22Å |
| 162 | V | 96 | Very high | 95.9 | Very high | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -65.1 | -43 | 179 | 169 | 0 | 0 | 0 | 0 | 111.5 | R147 V148 D151 L152 R157 D158 L159 E160 Y166 | R147-V162 PolarHBondContact NH1-O 2.99Å; V148-V162 HydrophobicContact CG2-CG1 3.95Å; D151-V162 HydrophobicContact CB-CG1 4.4Å; D151-V162 HydrophobicContact CB-CG2 3.68Å; L152-V162 HydrophobicContact CD1-CB 4.33Å; L152-V162 HydrophobicContact CD1-CG2 3.94Å; R157-V162 HydrophobicContact CB-CG2 3.58Å; D158-V162 VanDerWaalsContact O-CG2 3.27Å; D158-V162 WeakPolarHBondContact O-CG2 3.49Å; D158-V162 PolarHBondContact O-N 3.1Å; L159-V162 PolarHBondContact O-N 3.28Å; E160-V162 PolarHBondContact O-N 3.42Å; V162-Y166 WeakPolarHBondContact O-CB 3.44Å; V162-Y166 PolarHBondContact O-N 3.17Å |
| 163 | L | 97.1 | Very high | 96 | Very high | 70 Ų | 70 | 64.2 Ų | 64.2 | 37% | 0.366 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -68.7 | -44.1 | 177.8 | -67.4 | 177.9 | 0 | 0 | 0 | 111.6 | L144 V148 L159 E160 Q165 Y166 L167 | L144-L163 HydrophobicContact CD1-CD2 4.31Å; V148-L163 HydrophobicContact CG2-CD2 4.24Å; L159-L163 HydrophobicContact CD1-CD1 4.09Å; L159-L163 HydrophobicContact CD1-CG 4.11Å; L159-L163 HydrophobicContact CG-CD1 4.11Å; L159-L163 HydrophobicContact CG-CG 4.49Å; L159-L163 WeakPolarHBondContact O-CG 3.12Å; L159-L163 PolarHBondContact O-N 3.03Å; E160-L163 PolarHBondContact O-N 3.13Å; L163-Q165 PolarHBondContact O-N 3.47Å; L163-Y166 PolarHBondContact O-N 3.48Å; L163-Y166 VanDerWaalsContact O-N 3.13Å; L163-L167 WeakPolarHBondContact O-CG 3.44Å; L163-L167 PolarHBondContact O-N 3.32Å |
| 164 | H | 96.6 | Very high | 96.1 | Very high | 67 Ų | 67 | 57.7 Ų | 57.7 | 31% | 0.31 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -57.2 | -50 | 173.9 | 177 | -80.6 | 0 | 0 | 0 | 110.9 | E160 Y166 L167 H168 | E160-H164 VanDerWaalsContact O-CB 3.26Å; E160-H164 WeakPolarHBondContact O-CB 3.27Å; E160-H164 PolarHBondContact O-N 2.85Å; H164-Y166 VanDerWaalsContact C-N 3.26Å; H164-Y166 PolarHBondContact O-N 3.32Å; H164-L167 PolarHBondContact O-N 3.17Å; H164-H168 AromaticContact CD2-CD2 3.43Å; H164-H168 PolarHBondContact CD2-CD2 2.9Å; H164-H168 VanDerWaalsContact CD2-CD2 3.43Å; H164-H168 AromaticContact CD2-NE2 3.85Å; H164-H168 AromaticContact CE1-CD2 3.75Å; H164-H168 AromaticContact CG-CD2 3.8Å; H164-H168 AromaticContact ND1-CD2 3.99Å; H164-H168 AromaticContact NE2-CD2 3.42Å; H164-H168 PolarHBondContact NE2-CD2 3.34Å; H164-H168 AromaticContact NE2-NE2 3.92Å; H164-H168 WeakPolarHBondContact O-CB 3.42Å; H164-H168 PolarHBondContact O-CD2 3.27Å; H164-H168 VanDerWaalsContact O-CD2 3.26Å; H164-H168 PolarHBondContact O-N 3.01Å |
| 165 | Q | 96.5 | Very high | 96.4 | Very high | 5 Ų | 5 | 56.6 Ų | 56.6 | 2% | 0.023 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57.4 | -42.1 | 175.2 | -86.8 | -170.4 | -5.2 | 0 | 0 | 112.3 | G59 Q161 L163 Y169 V170 | G59-Q165 WeakPolarHBondContact O-CG 3.42Å; Q161-Q165 WeakPolarHBondContact O-CB 3.46Å; Q161-Q165 PolarHBondContact O-N 3.22Å; L163-Q165 PolarHBondContact O-N 3.47Å; Q165-Y169 HydrophobicContact CG-CD2 4.37Å; Q165-Y169 WeakPolarHBondContact O-CA 3.49Å; Q165-Y169 WeakPolarHBondContact O-CB 3.47Å; Q165-Y169 PolarHBondContact O-N 3Å; Q165-V170 PolarHBondContact O-N 2.95Å |
| 166 | Y | 97.6 | Very high | 96.6 | Very high | 14 Ų | 14 | 61 Ų | 61 | 6% | 0.055 | 31% | 0.31 | C | S | . | . | I | π-helix | trans | -62.7 | -47.9 | -178.3 | -178.4 | -94.3 | 0 | 0 | 0 | 111.9 | P140 L144 V162 L163 H164 V170 K171 | P140-Y166 PolarHBondContact O-OH 2.97Å; L144-Y166 HydrophobicContact CB-CE1 4.43Å; L144-Y166 HydrophobicContact CB-CE2 3.99Å; L144-Y166 HydrophobicContact CD1-CD1 3.83Å; L144-Y166 HydrophobicContact CD1-CD2 3.67Å; L144-Y166 HydrophobicContact CD1-CE1 4.1Å; L144-Y166 HydrophobicContact CD1-CE2 3.93Å; L144-Y166 HydrophobicContact CD1-CG 3.59Å; L144-Y166 HydrophobicContact CD2-CD1 4.22Å; L144-Y166 HydrophobicContact CD2-CE1 3.95Å; L144-Y166 HydrophobicContact CG-CE1 4.39Å; L144-Y166 HydrophobicContact CG-CE2 4.45Å; V162-Y166 WeakPolarHBondContact O-CB 3.44Å; V162-Y166 PolarHBondContact O-N 3.17Å; L163-Y166 PolarHBondContact O-N 3.48Å; L163-Y166 VanDerWaalsContact O-N 3.13Å; H164-Y166 VanDerWaalsContact C-N 3.26Å; H164-Y166 PolarHBondContact O-N 3.32Å; Y166-V170 HydrophobicContact CD2-CB 4.13Å; Y166-V170 HydrophobicContact CD2-CG1 4.05Å; Y166-V170 HydrophobicContact CE2-CG1 4.46Å; Y166-K171 HydrophobicContact CD1-CB 4.44Å; Y166-K171 HydrophobicContact CE1-CB 4.09Å; Y166-K171 HydrophobicContact CE1-CD 4.34Å; Y166-K171 WeakPolarHBondContact O-CB 3.43Å; Y166-K171 PolarHBondContact O-N 2.95Å |
| 167 | L | 97.5 | Very high | 97 | Very high | 110 Ų | 110 | 58.8 Ų | 58.8 | 58% | 0.576 | 28% | 0.284 | S | S | * | . | I | π-helix | trans | -68.6 | -40.3 | -177.4 | -67.8 | 172.2 | 0 | 0 | 0 | 112.6 | L163 H164 P172 | L163-L167 WeakPolarHBondContact O-CG 3.44Å; L163-L167 PolarHBondContact O-N 3.32Å; H164-L167 PolarHBondContact O-N 3.17Å; L167-P172 WeakPolarHBondContact O-CD 3.32Å |
| 168 | H | 97.9 | Very high | 97.4 | Very high | 112 Ų | 112 | 57.8 Ų | 57.8 | 52% | 0.519 | 28% | 0.28 | S | S | . | . | I | π-helix | trans | -96.1 | -24.1 | -171.5 | -67.2 | -67.9 | 0 | 0 | 0 | 114.9 | H164 | H164-H168 AromaticContact CD2-CD2 3.43Å; H164-H168 PolarHBondContact CD2-CD2 2.9Å; H164-H168 VanDerWaalsContact CD2-CD2 3.43Å; H164-H168 AromaticContact CD2-NE2 3.85Å; H164-H168 AromaticContact CE1-CD2 3.75Å; H164-H168 AromaticContact CG-CD2 3.8Å; H164-H168 AromaticContact ND1-CD2 3.99Å; H164-H168 AromaticContact NE2-CD2 3.42Å; H164-H168 PolarHBondContact NE2-CD2 3.34Å; H164-H168 AromaticContact NE2-NE2 3.92Å; H164-H168 WeakPolarHBondContact O-CB 3.42Å; H164-H168 PolarHBondContact O-CD2 3.27Å; H164-H168 VanDerWaalsContact O-CD2 3.26Å; H164-H168 PolarHBondContact O-N 3.01Å |
| 169 | Y | 98 | Very high | 97.6 | Very high | 56 Ų | 56 | 56.6 Ų | 56.6 | 22% | 0.22 | 27% | 0.274 | C | S | . | . | I | π-helix | trans | -126 | -55.7 | -175.2 | -56.2 | -62.4 | 0 | 0 | 0 | 112.7 | G59 K60 N62 Q165 A173 | G59-Y169 WeakPolarHBondContact O-CE2 3.49Å; K60-Y169 PolarHBondContact O-OH 3.36Å; N62-Y169 HydrophobicContact CB-CD1 3.65Å; N62-Y169 HydrophobicContact CB-CE1 4.33Å; N62-Y169 HydrophobicContact CB-CG 4.1Å; Q165-Y169 HydrophobicContact CG-CD2 4.37Å; Q165-Y169 WeakPolarHBondContact O-CA 3.49Å; Q165-Y169 WeakPolarHBondContact O-CB 3.47Å; Q165-Y169 PolarHBondContact O-N 3Å; Y169-A173 WeakPolarHBondContact O-CB 3.21Å; Y169-A173 PolarHBondContact O-N 3.06Å |
| 170 | V | 98.1 | Very high | 97.7 | Very high | 2 Ų | 2 | 55.7 Ų | 55.7 | 1% | 0.012 | 27% | 0.272 | C | S | . | . | I | π-helix | trans | -67.4 | -50.1 | -169.2 | -179.2 | 0 | 0 | 0 | 0 | 112.1 | T13 Q165 Y166 Y174 | T13-V170 HydrophobicContact CG2-CG1 3.39Å; Q165-V170 PolarHBondContact O-N 2.95Å; Y166-V170 HydrophobicContact CD2-CB 4.13Å; Y166-V170 HydrophobicContact CD2-CG1 4.05Å; Y166-V170 HydrophobicContact CE2-CG1 4.46Å; V170-Y174 VanDerWaalsContact O-CB 3.23Å; V170-Y174 WeakPolarHBondContact O-CB 3.39Å; V170-Y174 PolarHBondContact O-N 3.49Å |
| 171 | K | 98.2 | Very high | 97.8 | Very high | 90 Ų | 90 | 48.4 Ų | 48.4 | 39% | 0.391 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -66.1 | -50.2 | -179.1 | 176 | -176.3 | 174.3 | -171.7 | 0 | 111.1 | Y166 A173 Y174 E175 | Y166-K171 HydrophobicContact CD1-CB 4.44Å; Y166-K171 HydrophobicContact CE1-CB 4.09Å; Y166-K171 HydrophobicContact CE1-CD 4.34Å; Y166-K171 WeakPolarHBondContact O-CB 3.43Å; Y166-K171 PolarHBondContact O-N 2.95Å; K171-A173 PolarHBondContact O-N 2.63Å; K171-Y174 WeakPolarHBondContact O-CB 3.44Å; K171-Y174 PolarHBondContact O-N 2.92Å; K171-E175 WeakPolarHBondContact CE-OE1 3.23Å; K171-E175 IonicContact NZ-OE1 3.48Å; K171-E175 WeakPolarHBondContact O-CG 3.48Å; K171-E175 PolarHBondContact O-N 3.1Å |
| 172 | P | 98.6 | Very high | 98.1 | Very high | 52 Ų | 52 | 49 Ų | 49 | 34% | 0.338 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -56.2 | -47.4 | 174.8 | -27.4 | 36.3 | 0 | 0 | 0 | 113.2 | L167 Y174 E175 E176 | L167-P172 WeakPolarHBondContact O-CD 3.32Å; P172-Y174 VanDerWaalsContact C-N 3.32Å; P172-Y174 PolarHBondContact O-N 3.2Å; P172-E175 PolarHBondContact O-N 2.92Å; P172-E176 WeakPolarHBondContact O-CB 3.46Å; P172-E176 PolarHBondContact O-N 3.22Å |
| 173 | A | 98.6 | Very high | 98.2 | Very high | 3 Ų | 3 | 56.4 Ų | 56.4 | 3% | 0.025 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.7 | -34.1 | 179 | 0 | 0 | 0 | 0 | 0 | 112.8 | D64 Y169 K171 F177 | D64-A173 HydrophobicContact CB-CB 3.44Å; D64-A173 VanDerWaalsContact CB-CB 3.44Å; Y169-A173 WeakPolarHBondContact O-CB 3.21Å; Y169-A173 PolarHBondContact O-N 3.06Å; K171-A173 PolarHBondContact O-N 2.63Å; A173-F177 HydrophobicContact CB-CD2 3.9Å; A173-F177 HydrophobicContact CB-CE2 4.25Å; A173-F177 WeakPolarHBondContact O-CB 2.91Å; A173-F177 WeakPolarHBondContact O-CD2 3.47Å; A173-F177 PolarHBondContact O-N 3.09Å |
| 174 | Y | 98.7 | Very high | 98.2 | Very high | 21 Ų | 21 | 56.7 Ų | 56.7 | 8% | 0.082 | 27% | 0.271 | C | S | . | . | I | π-helix | trans | -62.2 | -48.2 | 172.4 | 170.1 | -100.4 | 0 | 0 | 0 | 111.2 | R143 V170 K171 P172 E176 C178 L179 | R143-Y174 VanDerWaalsContact NH2-CE1 3.27Å; V170-Y174 VanDerWaalsContact O-CB 3.23Å; V170-Y174 WeakPolarHBondContact O-CB 3.39Å; V170-Y174 PolarHBondContact O-N 3.49Å; K171-Y174 WeakPolarHBondContact O-CB 3.44Å; K171-Y174 PolarHBondContact O-N 2.92Å; P172-Y174 VanDerWaalsContact C-N 3.32Å; P172-Y174 PolarHBondContact O-N 3.2Å; Y174-E176 VanDerWaalsContact C-N 3.32Å; Y174-E176 PolarHBondContact O-N 2.87Å; Y174-C178 HydrophobicContact CD2-CB 3.62Å; Y174-C178 HydrophobicContact CE2-CB 4.19Å; Y174-C178 HydrophobicContact CG-CB 4.39Å; Y174-C178 CarbonylContact O-C 3.41Å; Y174-C178 WeakPolarHBondContact O-CB 3.46Å; Y174-C178 PolarHBondContact O-N 3.02Å; Y174-C178 VanDerWaalsContact O-N 3.1Å; Y174-L179 HydrophobicContact CD1-CB 4.38Å; Y174-L179 HydrophobicContact CE1-CB 3.92Å; Y174-L179 HydrophobicContact CE1-CD1 4.47Å; Y174-L179 HydrophobicContact CE1-CD2 4.24Å; Y174-L179 HydrophobicContact CE1-CG 4.44Å; Y174-L179 HydrophobicContact CE2-CB 4.33Å; Y174-L179 WeakPolarHBondContact O-CB 3.05Å; Y174-L179 PolarHBondContact O-N 2.83Å |
| 175 | E | 98.7 | Very high | 98.4 | Very high | 101 Ų | 101 | 54.5 Ų | 54.5 | 47% | 0.472 | 27% | 0.265 | S | S | . | . | I | π-helix | trans | -65.4 | -36.3 | -179.6 | -70.4 | 171.3 | 176.4 | 0 | 0 | 111.9 | K171 P172 P180 | K171-E175 WeakPolarHBondContact CE-OE1 3.23Å; K171-E175 IonicContact NZ-OE1 3.48Å; K171-E175 WeakPolarHBondContact O-CG 3.48Å; K171-E175 PolarHBondContact O-N 3.1Å; P172-E175 PolarHBondContact O-N 2.92Å; E175-P180 VanDerWaalsContact O-CD 3.28Å; E175-P180 WeakPolarHBondContact O-CD 3.27Å; E175-P180 WeakPolarHBondContact O-CG 3.34Å |
| 176 | E | 98.7 | Very high | 98.5 | Very high | 125 Ų | 125 | 58.9 Ų | 58.9 | 58% | 0.584 | 29% | 0.288 | S | S | * | . | I | π-helix | trans | -82.7 | -46.7 | -177.5 | -168.6 | 177 | 171.3 | 0 | 0 | 113.4 | P172 Y174 P180 | P172-E176 WeakPolarHBondContact O-CB 3.46Å; P172-E176 PolarHBondContact O-N 3.22Å; Y174-E176 VanDerWaalsContact C-N 3.32Å; Y174-E176 PolarHBondContact O-N 2.87Å; E176-P180 WeakPolarHBondContact O-CG 3.46Å |
| 177 | F | 98.8 | Very high | 98.5 | Very high | 13 Ų | 13 | 60.8 Ų | 60.8 | 6% | 0.057 | 30% | 0.301 | C | S | . | . | I | π-helix | trans | -111.8 | -27 | -167.8 | -50.8 | -60.8 | 0 | 0 | 0 | 114.3 | H65 P66 L119 Y122 A173 T181 | H65-F177 AromaticContact CD2-CE2 3.57Å; H65-F177 AromaticContact CD2-CZ 3.54Å; H65-F177 AromaticContact NE2-CZ 3.75Å; P66-F177 HydrophobicContact CG-CB 4.41Å; P66-F177 HydrophobicContact CG-CD1 3.8Å; P66-F177 HydrophobicContact CG-CD2 4.34Å; P66-F177 HydrophobicContact CG-CE1 4.12Å; P66-F177 HydrophobicContact CG-CG 3.92Å; L119-F177 HydrophobicContact CD2-CB 3.51Å; Y122-F177 HydrophobicContact CD2-CB 4.09Å; Y122-F177 WeakPolarHBondContact CD2-O 3.41Å; Y122-F177 HydrophobicContact CE2-CB 4.04Å; Y122-F177 AromaticContact CE2-CD1 3.77Å; Y122-F177 HydrophobicContact CE2-CD1 3.77Å; Y122-F177 HydrophobicContact CE2-CG 4.38Å; Y122-F177 AromaticContact CZ-CD1 3.85Å; A173-F177 HydrophobicContact CB-CD2 3.9Å; A173-F177 HydrophobicContact CB-CE2 4.25Å; A173-F177 WeakPolarHBondContact O-CB 2.91Å; A173-F177 WeakPolarHBondContact O-CD2 3.47Å; A173-F177 PolarHBondContact O-N 3.09Å; F177-T181 WeakPolarHBondContact O-CG2 3.46Å |
| 178 | C | 98.7 | Very high | 98.5 | Very high | 3 Ų | 3 | 59.4 Ų | 59.4 | 2% | 0.02 | 29% | 0.294 | C | S | . | . | I | π-helix | trans | -97.8 | -58.5 | -175 | -174.8 | 0 | 0 | 0 | 0 | 112.2 | G11 I118 Y174 P180 T181 | G11-C178 VanDerWaalsContact C-SG 3.51Å; I118-C178 PolarHBondContact O-SG 3.39Å; Y174-C178 HydrophobicContact CD2-CB 3.62Å; Y174-C178 HydrophobicContact CE2-CB 4.19Å; Y174-C178 HydrophobicContact CG-CB 4.39Å; Y174-C178 CarbonylContact O-C 3.41Å; Y174-C178 WeakPolarHBondContact O-CB 3.46Å; Y174-C178 PolarHBondContact O-N 3.02Å; Y174-C178 VanDerWaalsContact O-N 3.1Å; C178-P180 VanDerWaalsContact C-CD 3.49Å; C178-T181 WeakPolarHBondContact O-CB 3.13Å; C178-T181 PolarHBondContact O-N 3.09Å; C178-T181 PolarHBondContact O-OG1 3.44Å |
| 179 | L | 98.7 | Very high | 98.6 | Very high | 68 Ų | 68 | 54.1 Ų | 54.1 | 36% | 0.356 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -55.6 | -42.4 | -175.6 | 177.1 | 62.5 | 0 | 0 | 0 | 113 | Y174 T181 K182 | Y174-L179 HydrophobicContact CD1-CB 4.38Å; Y174-L179 HydrophobicContact CE1-CB 3.92Å; Y174-L179 HydrophobicContact CE1-CD1 4.47Å; Y174-L179 HydrophobicContact CE1-CD2 4.24Å; Y174-L179 HydrophobicContact CE1-CG 4.44Å; Y174-L179 HydrophobicContact CE2-CB 4.33Å; Y174-L179 WeakPolarHBondContact O-CB 3.05Å; Y174-L179 PolarHBondContact O-N 2.83Å; L179-T181 PolarHBondContact O-N 2.91Å; L179-T181 VanDerWaalsContact O-N 3.09Å; L179-K182 HydrophobicContact CD1-CD 4.36Å; L179-K182 WeakPolarHBondContact O-CB 3.15Å; L179-K182 PolarHBondContact O-N 3.18Å; L179-K182 VanDerWaalsContact O-N 3.07Å |
| 180 | P | 98.8 | Very high | 98.5 | Very high | 60 Ų | 60 | 53.9 Ų | 53.9 | 39% | 0.39 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -63.9 | -18.3 | 178.5 | -25.2 | 37.9 | 0 | 0 | 0 | 113.7 | E175 E176 C178 K182 K183 | E175-P180 VanDerWaalsContact O-CD 3.28Å; E175-P180 WeakPolarHBondContact O-CD 3.27Å; E175-P180 WeakPolarHBondContact O-CG 3.34Å; E176-P180 WeakPolarHBondContact O-CG 3.46Å; C178-P180 VanDerWaalsContact C-CD 3.49Å; P180-K182 VanDerWaalsContact C-N 3.27Å; P180-K182 PolarHBondContact O-N 3.44Å; P180-K183 VanDerWaalsContact O-CD 3.27Å; P180-K183 WeakPolarHBondContact O-CD 3.42Å; P180-K183 WeakPolarHBondContact O-CE 3.3Å; P180-K183 WeakPolarHBondContact O-CG 3.39Å |
| 181 | T | 98.8 | Very high | 98.2 | Very high | 4 Ų | 4 | 60.6 Ų | 60.6 | 3% | 0.025 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -76.7 | -15.3 | 178.2 | 74.1 | 0 | 0 | 0 | 0 | 113 | L121 Y122 F177 C178 L179 K183 F184 | L121-T181 HydrophobicContact CB-CG2 4.49Å; L121-T181 WeakPolarHBondContact O-CG2 3.47Å; Y122-T181 HydrophobicContact CD2-CG2 4.17Å; F177-T181 WeakPolarHBondContact O-CG2 3.46Å; C178-T181 WeakPolarHBondContact O-CB 3.13Å; C178-T181 PolarHBondContact O-N 3.09Å; C178-T181 PolarHBondContact O-OG1 3.44Å; L179-T181 PolarHBondContact O-N 2.91Å; L179-T181 VanDerWaalsContact O-N 3.09Å; T181-K183 PolarHBondContact O-N 3.28Å; T181-K183 VanDerWaalsContact O-N 3.12Å; T181-F184 WeakPolarHBondContact O-CB 3.49Å; T181-F184 PolarHBondContact O-N 2.79Å |
| 182 | K | 98.7 | Very high | 97.8 | Very high | 52 Ų | 52 | 56.3 Ų | 56.3 | 23% | 0.226 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -52.9 | -32.2 | 173.8 | -173.6 | 175.1 | -176 | 174.2 | 0 | 112.3 | F135 D137 L179 P180 F184 A185 I188 | F135-K182 HydrophobicContact CB-CG 4.39Å; F135-K182 HydrophobicContact CD1-CB 4.13Å; F135-K182 HydrophobicContact CD1-CD 3.97Å; F135-K182 HydrophobicContact CD1-CG 3.77Å; F135-K182 HydrophobicContact CD2-CB 3.91Å; F135-K182 HydrophobicContact CD2-CG 4.33Å; F135-K182 HydrophobicContact CE1-CB 4.14Å; F135-K182 HydrophobicContact CE1-CD 3.92Å; F135-K182 HydrophobicContact CE1-CG 4.07Å; F135-K182 HydrophobicContact CE2-CB 3.91Å; F135-K182 HydrophobicContact CG-CB 4.02Å; F135-K182 HydrophobicContact CG-CG 3.91Å; F135-K182 HydrophobicContact CZ-CB 4.02Å; F135-K182 HydrophobicContact CZ-CG 4.46Å; D137-K182 IonicContact OD1-NZ 2.7Å; D137-K182 PolarHBondContact OD1-NZ 3.04Å; D137-K182 IonicContact OD2-NZ 3.75Å; D137-K182 PolarHBondContact OD2-NZ 3.15Å; L179-K182 HydrophobicContact CD1-CD 4.36Å; L179-K182 WeakPolarHBondContact O-CB 3.15Å; L179-K182 PolarHBondContact O-N 3.18Å; L179-K182 VanDerWaalsContact O-N 3.07Å; P180-K182 VanDerWaalsContact C-N 3.27Å; P180-K182 PolarHBondContact O-N 3.44Å; K182-F184 PolarHBondContact O-N 3.34Å; K182-A185 WeakPolarHBondContact O-CB 3.35Å; K182-A185 PolarHBondContact O-N 2.98Å; K182-A185 VanDerWaalsContact O-N 3.11Å; K182-I188 HydrophobicContact CD-CD1 4.35Å; K182-I188 HydrophobicContact CG-CD1 3.99Å; K182-I188 HydrophobicContact CG-CG1 4.14Å |
| 183 | K | 98.5 | Very high | 97.1 | Very high | 157 Ų | 157 | 54.6 Ų | 54.6 | 68% | 0.683 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | -64.3 | -17.1 | 176.3 | 78.4 | -167.4 | 174.8 | 178.7 | 0 | 114.4 | P180 T181 | P180-K183 VanDerWaalsContact O-CD 3.27Å; P180-K183 WeakPolarHBondContact O-CD 3.42Å; P180-K183 WeakPolarHBondContact O-CE 3.3Å; P180-K183 WeakPolarHBondContact O-CG 3.39Å; T181-K183 PolarHBondContact O-N 3.28Å; T181-K183 VanDerWaalsContact O-N 3.12Å |
| 184 | F | 98.7 | Very high | 96.7 | Very high | 75 Ų | 75 | 60.5 Ų | 60.5 | 33% | 0.329 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -97.1 | -1.2 | 177.2 | -52.4 | -63.5 | 0 | 0 | 0 | 112.9 | K133 T181 K182 | K133-F184 VanDerWaalsContact CD-O 3.28Å; K133-F184 WeakPolarHBondContact CD-O 3.41Å; T181-F184 WeakPolarHBondContact O-CB 3.49Å; T181-F184 PolarHBondContact O-N 2.79Å; K182-F184 PolarHBondContact O-N 3.34Å |
| 185 | A | 98.8 | Very high | 96.5 | Very high | 21 Ų | 21 | 60.3 Ų | 60.3 | 17% | 0.174 | 30% | 0.3 | C | S | . | . | trans | -78.6 | 141.1 | 178 | 0 | 0 | 0 | 0 | 0 | 110.7 | L121 K133 F135 K182 | L121-A185 HydrophobicContact CD1-CB 4.4Å; K133-A185 CarbonylContact O-C 3.6Å; F135-A185 HydrophobicContact CB-CB 3.61Å; K182-A185 WeakPolarHBondContact O-CB 3.35Å; K182-A185 PolarHBondContact O-N 2.98Å; K182-A185 VanDerWaalsContact O-N 3.11Å | ||
| 186 | D | 98.7 | Very high | 96.3 | Very high | 98 Ų | 98 | 59 Ų | 59 | 52% | 0.524 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -79.7 | -32.3 | 172.1 | -51.7 | -58 | 0 | 0 | 0 | 110.3 | L132 K133 | L132-D186 HydrophobicContact CD1-CB 3.85Å; K133-D186 WeakPolarHBondContact CB-OD2 3.37Å; K133-D186 PolarHBondContact N-OD2 2.76Å; K133-D186 PolarHBondContact O-N 2.78Å |
| 187 | V | 98.4 | Very high | 96.3 | Very high | 54 Ų | 54 | 57.6 Ų | 57.6 | 33% | 0.327 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 131.8 | 178 | -177.4 | 0 | 0 | 0 | 0 | 110.6 | L132 K133 L134 F135 I189 | L132-V187 HydrophobicContact CD1-CG2 4.48Å; K133-V187 PolarHBondContact O-N 2.96Å; L134-V187 CarbonylContact C-O 3.6Å; L134-V187 WeakPolarHBondContact CA-O 3.47Å; L134-V187 HydrophobicContact CD2-CB 3.74Å; L134-V187 HydrophobicContact CD2-CG1 4.43Å; L134-V187 HydrophobicContact CD2-CG2 4.23Å; F135-V187 PolarHBondContact N-O 3.36Å; V187-I189 HydrophobicContact CG1-CG1 4.25Å |
| 188 | I | 98.6 | Very high | 96.2 | Very high | 81 Ų | 81 | 57.8 Ų | 57.8 | 42% | 0.415 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 126.5 | 169.9 | -64.2 | 159.4 | 0 | 0 | 0 | 108.4 | F135 D137 K182 P190 | F135-I188 CarbonylContact O-C 3.58Å; F135-I188 WeakPolarHBondContact O-CA 3.38Å; D137-I188 HydrophobicContact CB-CG2 3.76Å; K182-I188 HydrophobicContact CD-CD1 4.35Å; K182-I188 HydrophobicContact CG-CD1 3.99Å; K182-I188 HydrophobicContact CG-CG1 4.14Å; I188-P190 VanDerWaalsContact O-CD 3.28Å; I188-P190 WeakPolarHBondContact O-CD 3.48Å |
| 189 | I | 98.4 | Very high | 96.1 | Very high | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 99 | 178.1 | -58.4 | 178.3 | 0 | 0 | 0 | 108.4 | V20 L134 F135 V136 D137 V187 N195 A198 I202 | V20-I189 HydrophobicContact CG1-CD1 3.98Å; V20-I189 HydrophobicContact CG2-CG2 4.43Å; L134-I189 HydrophobicContact CB-CD1 4.43Å; L134-I189 HydrophobicContact CD1-CD1 4.09Å; F135-I189 PolarHBondContact O-N 3.38Å; V136-I189 HydrophobicContact CG2-CB 4.49Å; D137-I189 PolarHBondContact N-O 3.43Å; V187-I189 HydrophobicContact CG1-CG1 4.25Å; I189-N195 HydrophobicContact CG2-CB 4.35Å; I189-A198 HydrophobicContact CG1-CB 4.35Å; I189-A198 HydrophobicContact CG2-CB 3.96Å; I189-I202 HydrophobicContact CD1-CG1 4.41Å |
| 190 | P | 97.5 | Very high | 96.1 | Very high | 51 Ų | 51 | 57.5 Ų | 57.5 | 33% | 0.331 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 149 | 173.7 | 30.1 | -33.4 | 0 | 0 | 0 | 109.9 | I188 G192 N195 | I188-P190 VanDerWaalsContact O-CD 3.28Å; I188-P190 WeakPolarHBondContact O-CD 3.48Å; P190-G192 PolarHBondContact O-N 3.24Å; P190-N195 WeakPolarHBondContact O-CB 3.48Å; P190-N195 PolarHBondContact O-ND2 3.48Å; P190-N195 VanDerWaalsContact O-ND2 3.09Å |
| 191 | R | 91.6 | Very high | 96 | Very high | 143 Ų | 143 | 60.3 Ų | 60.3 | 54% | 0.54 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.3 | 11.6 | 177.7 | -51.4 | -176.4 | -61.9 | -80.9 | -2.7 | 115.7 | D137 E194 | D137-R191 PolarHBondContact O-N 3.4Å; R191-E194 PolarHBondContact O-N 3.28Å |
| 192 | G | 88.2 | Confident | 96 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | 56 | -137.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | V20 V136 P190 E194 N195 | V20-G192 VanDerWaalsContact CG2-C 3.4Å; V136-G192 VanDerWaalsContact CG1-CA 3.5Å; P190-G192 PolarHBondContact O-N 3.24Å; G192-E194 PolarHBondContact O-N 3.09Å; G192-E194 VanDerWaalsContact O-N 3.12Å; G192-N195 PolarHBondContact O-N 2.91Å |
| 193 | G | 84.6 | Confident | 95.9 | Very high | 15 Ų | 15 | 58.3 Ų | 58.3 | 16% | 0.155 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -62.7 | -16.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | N195 | G193-N195 PolarHBondContact O-N 2.97Š|
| 194 | E | 90.5 | Very high | 95.9 | Very high | 128 Ų | 128 | 56.2 Ų | 56.2 | 60% | 0.598 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | -73.9 | -17 | 175.8 | -62.6 | 169.4 | -155.8 | 0 | 0 | 112.4 | R146 R191 G192 T196 | R146-E194 IonicContact CZ-OE1 3.58Å; R146-E194 IonicContact NH2-OE1 3.63Å; R146-E194 PolarHBondContact NH2-OE1 2.88Å; R191-E194 PolarHBondContact O-N 3.28Å; G192-E194 PolarHBondContact O-N 3.09Å; G192-E194 VanDerWaalsContact O-N 3.12Å; E194-T196 VanDerWaalsContact C-N 3.29Å; E194-T196 PolarHBondContact O-N 3.13Å |
| 195 | N | 94.2 | Very high | 95.8 | Very high | 17 Ų | 17 | 55.8 Ų | 55.8 | 9% | 0.091 | 30% | 0.296 | C | S | . | . | trans | -86.4 | 73.2 | 177 | -169.6 | -8.5 | 0 | 0 | 0 | 110.9 | I189 P190 G192 G193 V197 A198 V199 | I189-N195 HydrophobicContact CG2-CB 4.35Å; P190-N195 WeakPolarHBondContact O-CB 3.48Å; P190-N195 PolarHBondContact O-ND2 3.48Å; P190-N195 VanDerWaalsContact O-ND2 3.09Å; G192-N195 PolarHBondContact O-N 2.91Å; G193-N195 PolarHBondContact O-N 2.97Å; N195-V197 PolarHBondContact O-N 3Å; N195-A198 HydrophobicContact CB-CB 4.2Å; N195-A198 VanDerWaalsContact CG-CB 3.5Å; N195-A198 PolarHBondContact O-N 3.26Å; N195-A198 VanDerWaalsContact O-N 3.08Å; N195-A198 PolarHBondContact OD1-N 3.42Å; N195-V199 PolarHBondContact O-N 3.35Å | ||
| 196 | T | 95.3 | Very high | 95.7 | Very high | 73 Ų | 73 | 54.8 Ų | 54.8 | 45% | 0.448 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -56.3 | -35.1 | -178.5 | 54.5 | 0 | 0 | 0 | 0 | 112.7 | E194 V199 D200 | E194-T196 VanDerWaalsContact C-N 3.29Å; E194-T196 PolarHBondContact O-N 3.13Å; T196-V199 PolarHBondContact O-N 2.97Å; T196-D200 WeakPolarHBondContact O-CB 3.22Å; T196-D200 PolarHBondContact O-N 2.93Å |
| 197 | V | 97.4 | Very high | 95.5 | Very high | 96 Ų | 96 | 50.8 Ų | 50.8 | 58% | 0.582 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -62.3 | -47.1 | 176.5 | 179.7 | 0 | 0 | 0 | 0 | 111.3 | N195 D200 L201 | N195-V197 PolarHBondContact O-N 3Å; V197-D200 PolarHBondContact O-N 3.33Å; V197-L201 WeakPolarHBondContact O-CG 3.46Å; V197-L201 PolarHBondContact O-N 2.96Å; V197-L201 VanDerWaalsContact O-N 3.1Å |
| 198 | A | 97.4 | Very high | 95.4 | Very high | 16 Ų | 16 | 54.2 Ų | 54.2 | 13% | 0.132 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.4 | -43.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | I189 N195 D200 L201 I202 | I189-A198 HydrophobicContact CG1-CB 4.35Å; I189-A198 HydrophobicContact CG2-CB 3.96Å; N195-A198 HydrophobicContact CB-CB 4.2Å; N195-A198 VanDerWaalsContact CG-CB 3.5Å; N195-A198 PolarHBondContact O-N 3.26Å; N195-A198 VanDerWaalsContact O-N 3.08Å; N195-A198 PolarHBondContact OD1-N 3.42Å; A198-D200 PolarHBondContact O-N 2.83Å; A198-L201 PolarHBondContact O-N 3.37Å; A198-I202 WeakPolarHBondContact O-CG1 3.39Å; A198-I202 PolarHBondContact O-N 2.92Å |
| 199 | V | 97.3 | Very high | 95.1 | Very high | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.006 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.1 | -46 | 175.9 | 173.5 | 0 | 0 | 0 | 0 | 111.1 | E23 I24 K27 N195 T196 L201 I202 V203 | E23-V199 HydrophobicContact CB-CG1 4.05Å; I24-V199 HydrophobicContact CG1-CG1 4.02Å; K27-V199 HydrophobicContact CD-CG1 3.66Å; N195-V199 PolarHBondContact O-N 3.35Å; T196-V199 PolarHBondContact O-N 2.97Å; V199-L201 VanDerWaalsContact C-N 3.32Å; V199-L201 PolarHBondContact O-N 3.45Å; V199-I202 PolarHBondContact O-N 2.9Å; V199-I202 VanDerWaalsContact O-N 3.12Å; V199-V203 HydrophobicContact CG1-CG2 4.19Å; V199-V203 VanDerWaalsContact O-CG2 3.32Å; V199-V203 WeakPolarHBondContact O-CG2 3.34Å; V199-V203 PolarHBondContact O-N 3.1Å |
| 200 | D | 97.3 | Very high | 94.9 | Very high | 64 Ų | 64 | 52.5 Ų | 52.5 | 34% | 0.342 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62 | -39.2 | -179.5 | -73 | -22.1 | 0 | 0 | 0 | 111.8 | K27 T196 V197 A198 I202 V203 Q204 | K27-D200 WeakPolarHBondContact CD-OD1 3.45Å; K27-D200 WeakPolarHBondContact CE-OD1 3.39Å; K27-D200 IonicContact NZ-OD1 2.62Å; K27-D200 PolarHBondContact NZ-OD1 2.84Å; K27-D200 IonicContact NZ-OD2 2.88Å; T196-D200 WeakPolarHBondContact O-CB 3.22Å; T196-D200 PolarHBondContact O-N 2.93Å; V197-D200 PolarHBondContact O-N 3.33Å; A198-D200 PolarHBondContact O-N 2.83Å; D200-I202 PolarHBondContact O-N 2.97Å; D200-V203 PolarHBondContact O-N 3.26Å; D200-Q204 WeakPolarHBondContact O-CG 3.49Å; D200-Q204 PolarHBondContact O-N 3.47Å |
| 201 | L | 98.1 | Very high | 94.5 | Very high | 119 Ų | 119 | 57.2 Ų | 57.2 | 62% | 0.623 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -61.8 | -42.5 | 174 | -70.2 | 171.3 | 0 | 0 | 0 | 112 | V197 A198 V199 Q204 H205 | V197-L201 WeakPolarHBondContact O-CG 3.46Å; V197-L201 PolarHBondContact O-N 2.96Å; V197-L201 VanDerWaalsContact O-N 3.1Å; A198-L201 PolarHBondContact O-N 3.37Å; V199-L201 VanDerWaalsContact C-N 3.32Å; V199-L201 PolarHBondContact O-N 3.45Å; L201-Q204 PolarHBondContact O-N 3.36Å; L201-H205 PolarHBondContact O-N 2.66Å; L201-H205 VanDerWaalsContact O-N 3.09Å |
| 202 | I | 97.8 | Very high | 94 | Very high | 11 Ų | 11 | 52.7 Ų | 52.7 | 6% | 0.056 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.3 | -41.1 | 176 | -58.4 | -53.5 | 0 | 0 | 0 | 111 | I24 L132 L134 I189 A198 V199 D200 H205 I206 | I24-I202 HydrophobicContact CD1-CB 4.27Å; I24-I202 HydrophobicContact CD1-CG2 3.65Å; I24-I202 HydrophobicContact CG1-CG2 4.25Å; L132-I202 HydrophobicContact CD2-CD1 4.36Å; L134-I202 HydrophobicContact CD1-CD1 4.39Å; L134-I202 HydrophobicContact CD1-CG1 4.27Å; L134-I202 HydrophobicContact CD1-CG2 4.25Å; L134-I202 HydrophobicContact CD2-CD1 3.79Å; L134-I202 HydrophobicContact CD2-CG1 4.48Å; I189-I202 HydrophobicContact CD1-CG1 4.41Å; A198-I202 WeakPolarHBondContact O-CG1 3.39Å; A198-I202 PolarHBondContact O-N 2.92Å; V199-I202 PolarHBondContact O-N 2.9Å; V199-I202 VanDerWaalsContact O-N 3.12Å; D200-I202 PolarHBondContact O-N 2.97Å; I202-H205 PolarHBondContact O-N 3.37Å; I202-I206 HydrophobicContact CG2-CD1 3.91Å; I202-I206 HydrophobicContact CG2-CG1 4.48Å; I202-I206 WeakPolarHBondContact O-CG1 3.26Å; I202-I206 PolarHBondContact O-N 3.14Å |
| 203 | V | 97.3 | Very high | 92.7 | Very high | 4 Ų | 4 | 58.5 Ų | 58.5 | 2% | 0.024 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.9 | -45.1 | 176.2 | 170.1 | 0 | 0 | 0 | 0 | 110.9 | I24 K27 L28 V199 D200 H205 I206 L207 | I24-V203 HydrophobicContact CB-CG2 4.31Å; I24-V203 HydrophobicContact CG1-CG2 4.26Å; I24-V203 HydrophobicContact CG2-CG2 4.22Å; K27-V203 HydrophobicContact CB-CG1 4.29Å; K27-V203 HydrophobicContact CB-CG2 3.88Å; K27-V203 HydrophobicContact CD-CG2 4.38Å; L28-V203 HydrophobicContact CD2-CG1 3.93Å; L28-V203 HydrophobicContact CG-CG1 4.3Å; V199-V203 HydrophobicContact CG1-CG2 4.19Å; V199-V203 VanDerWaalsContact O-CG2 3.32Å; V199-V203 WeakPolarHBondContact O-CG2 3.34Å; V199-V203 PolarHBondContact O-N 3.1Å; D200-V203 PolarHBondContact O-N 3.26Å; V203-H205 VanDerWaalsContact C-N 3.32Å; V203-H205 PolarHBondContact O-N 3.15Å; V203-I206 PolarHBondContact O-N 2.9Å; V203-L207 HydrophobicContact CG1-CD1 4.11Å; V203-L207 HydrophobicContact CG1-CG 4.4Å; V203-L207 WeakPolarHBondContact O-CG 3.14Å; V203-L207 PolarHBondContact O-N 3.36Å |
| 204 | Q | 97.2 | Very high | 91.4 | Very high | 113 Ų | 113 | 64 Ų | 64 | 53% | 0.528 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.3 | -40.2 | 177.1 | -69.2 | -50.2 | -49.6 | 0 | 0 | 112.1 | D200 L201 L207 E208 | D200-Q204 WeakPolarHBondContact O-CG 3.49Å; D200-Q204 PolarHBondContact O-N 3.47Å; L201-Q204 PolarHBondContact O-N 3.36Å; Q204-L207 PolarHBondContact O-N 3.33Å; Q204-E208 PolarHBondContact O-N 2.79Å |
| 205 | H | 96.6 | Very high | 89.4 | Confident | 66 Ų | 66 | 65.4 Ų | 65.4 | 31% | 0.306 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.5 | -42.3 | 175.1 | -175.7 | 53.9 | 0 | 0 | 0 | 112.1 | F5 L201 I202 V203 E208 I209 | F5-H205 AromaticContact CZ-NE2 3.85Å; L201-H205 PolarHBondContact O-N 2.66Å; L201-H205 VanDerWaalsContact O-N 3.09Å; I202-H205 PolarHBondContact O-N 3.37Å; V203-H205 VanDerWaalsContact C-N 3.32Å; V203-H205 PolarHBondContact O-N 3.15Å; H205-E208 WeakPolarHBondContact O-CB 3.45Å; H205-E208 PolarHBondContact O-N 2.7Å; H205-I209 WeakPolarHBondContact O-CG1 3.44Å; H205-I209 PolarHBondContact O-N 3.42Å |
| 206 | I | 97.1 | Very high | 87.4 | Confident | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -63.4 | -42.5 | 175 | -70.3 | 167.3 | 0 | 0 | 0 | 111 | I7 I24 L28 V36 V112 I202 V203 E208 I209 L210 | I7-I206 HydrophobicContact CD1-CD1 3.84Å; I7-I206 HydrophobicContact CD1-CG1 3.91Å; I24-I206 HydrophobicContact CG2-CD1 3.44Å; I24-I206 VanDerWaalsContact CG2-CD1 3.44Å; L28-I206 HydrophobicContact CD1-CG2 3.81Å; L28-I206 HydrophobicContact CD2-CB 4.37Å; L28-I206 HydrophobicContact CD2-CG2 3.83Å; L28-I206 HydrophobicContact CG-CG2 4.47Å; V36-I206 HydrophobicContact CG2-CG2 4.35Å; V112-I206 HydrophobicContact CG1-CD1 4.44Å; V112-I206 HydrophobicContact CG1-CG1 4.37Å; V112-I206 HydrophobicContact CG2-CG2 4.11Å; I202-I206 HydrophobicContact CG2-CD1 3.91Å; I202-I206 HydrophobicContact CG2-CG1 4.48Å; I202-I206 WeakPolarHBondContact O-CG1 3.26Å; I202-I206 PolarHBondContact O-N 3.14Å; V203-I206 PolarHBondContact O-N 2.9Å; I206-E208 VanDerWaalsContact C-N 3.3Å; I206-E208 PolarHBondContact O-N 2.95Å; I206-I209 WeakPolarHBondContact O-CB 3.39Å; I206-I209 PolarHBondContact O-N 3.43Å; I206-I209 VanDerWaalsContact O-N 3.15Å; I206-L210 HydrophobicContact CG2-CD1 3.63Å; I206-L210 HydrophobicContact CG2-CG 4.07Å; I206-L210 VanDerWaalsContact O-CG 3.26Å; I206-L210 WeakPolarHBondContact O-CG 3.34Å; I206-L210 PolarHBondContact O-N 3.24Å |
| 207 | L | 95.7 | Very high | 85.2 | Confident | 14 Ų | 14 | 72.6 Ų | 72.6 | 7% | 0.073 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -60.8 | -39.5 | 176 | -73.2 | 172.8 | 0 | 0 | 0 | 112.1 | L28 Y32 V203 Q204 I209 L210 R211 | L28-L207 HydrophobicContact CD2-CD2 3.56Å; L28-L207 HydrophobicContact CD2-CG 3.69Å; Y32-L207 HydrophobicContact CD2-CD2 3.79Å; Y32-L207 HydrophobicContact CE1-CD2 4.1Å; Y32-L207 HydrophobicContact CE2-CD2 3.34Å; Y32-L207 HydrophobicContact CG-CD2 4.36Å; V203-L207 HydrophobicContact CG1-CD1 4.11Å; V203-L207 HydrophobicContact CG1-CG 4.4Å; V203-L207 WeakPolarHBondContact O-CG 3.14Å; V203-L207 PolarHBondContact O-N 3.36Å; Q204-L207 PolarHBondContact O-N 3.33Å; L207-I209 VanDerWaalsContact C-N 3.33Å; L207-L210 PolarHBondContact O-N 3.28Å; L207-R211 VanDerWaalsContact O-CB 3.3Å; L207-R211 WeakPolarHBondContact O-CB 3.44Å; L207-R211 WeakPolarHBondContact O-CD 3.46Å; L207-R211 WeakPolarHBondContact O-CG 3.43Å; L207-R211 PolarHBondContact O-N 3.47Å |
| 208 | E | 94.9 | Very high | 82.7 | Confident | 125 Ų | 125 | 73.3 Ų | 73.3 | 58% | 0.584 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -61.4 | -42.9 | 174.2 | -173.3 | -175.8 | 180 | 0 | 0 | 111.5 | Q204 H205 I206 R211 S212 | Q204-E208 PolarHBondContact O-N 2.79Å; H205-E208 WeakPolarHBondContact O-CB 3.45Å; H205-E208 PolarHBondContact O-N 2.7Å; I206-E208 VanDerWaalsContact C-N 3.3Å; I206-E208 PolarHBondContact O-N 2.95Å; E208-R211 PolarHBondContact O-N 3.39Å; E208-S212 VanDerWaalsContact O-CB 3.31Å; E208-S212 WeakPolarHBondContact O-CB 3.49Å; E208-S212 PolarHBondContact O-N 2.93Å; E208-S212 PolarHBondContact O-OG 3.26Å |
| 209 | I | 92.9 | Very high | 80.1 | Confident | 22 Ų | 22 | 79.2 Ų | 79.2 | 11% | 0.113 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -61.7 | -48 | 175.9 | -70 | 163.6 | 0 | 0 | 0 | 111.1 | F5 V112 H205 I206 L207 R211 S212 W217 | F5-I209 HydrophobicContact CB-CG2 4.22Å; F5-I209 HydrophobicContact CD1-CD1 3.61Å; F5-I209 HydrophobicContact CD2-CD1 3.98Å; F5-I209 HydrophobicContact CE1-CD1 3.51Å; F5-I209 HydrophobicContact CE2-CD1 3.89Å; F5-I209 HydrophobicContact CG-CD1 3.84Å; F5-I209 HydrophobicContact CG-CG2 4.44Å; F5-I209 HydrophobicContact CZ-CD1 3.66Å; V112-I209 HydrophobicContact CG2-CG2 4.09Å; H205-I209 WeakPolarHBondContact O-CG1 3.44Å; H205-I209 PolarHBondContact O-N 3.42Å; I206-I209 WeakPolarHBondContact O-CB 3.39Å; I206-I209 PolarHBondContact O-N 3.43Å; I206-I209 VanDerWaalsContact O-N 3.15Å; L207-I209 VanDerWaalsContact C-N 3.33Å; I209-R211 VanDerWaalsContact C-N 3.32Å; I209-R211 PolarHBondContact O-N 2.76Å; I209-S212 PolarHBondContact O-N 3.25Å; I209-W217 HydrophobicContact CD1-CH2 4.27Å; I209-W217 HydrophobicContact CG1-CH2 3.85Å; I209-W217 HydrophobicContact CG1-CZ2 4.04Å; I209-W217 HydrophobicContact CG2-CZ2 3.91Å |
| 210 | L | 93.3 | Very high | 77.6 | Confident | 24 Ų | 24 | 86 Ų | 86 | 13% | 0.126 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -68.2 | -30.5 | -177 | -66.6 | 173.6 | 0 | 0 | 0 | 112.5 | L28 Y32 M35 V36 D111 V112 I206 L207 | L28-L210 HydrophobicContact CD2-CD1 4.41Å; Y32-L210 HydrophobicContact CD1-CB 4.03Å; Y32-L210 HydrophobicContact CD1-CD1 3.51Å; Y32-L210 HydrophobicContact CD1-CG 4.34Å; Y32-L210 HydrophobicContact CE1-CB 4.04Å; Y32-L210 HydrophobicContact CE1-CD1 4.24Å; Y32-L210 HydrophobicContact CG-CD1 3.94Å; M35-L210 HydrophobicContact CB-CD2 4.02Å; M35-L210 HydrophobicContact CE-CD2 3.9Å; M35-L210 HydrophobicContact SD-CD2 4.44Å; V36-L210 HydrophobicContact CG2-CD1 4.1Å; D111-L210 HydrophobicContact CB-CD2 3.56Å; V112-L210 HydrophobicContact CG2-CD2 3.96Å; V112-L210 HydrophobicContact CG2-CG 4.36Å; I206-L210 HydrophobicContact CG2-CD1 3.63Å; I206-L210 HydrophobicContact CG2-CG 4.07Å; I206-L210 VanDerWaalsContact O-CG 3.26Å; I206-L210 WeakPolarHBondContact O-CG 3.34Å; I206-L210 PolarHBondContact O-N 3.24Å; L207-L210 PolarHBondContact O-N 3.28Å |
| 211 | R | 89.9 | Confident | 74.7 | Confident | 151 Ų | 151 | 84.8 Ų | 84.8 | 57% | 0.57 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -86.9 | -21 | 178.8 | -68.6 | 169.1 | -177.3 | 164.2 | -0.1 | 113.6 | Y32 L207 E208 I209 | Y32-R211 PolarHBondContact OH-NE 3.19Å; Y32-R211 VanDerWaalsContact OH-NE 3.16Å; Y32-R211 PolarHBondContact OH-NH2 3.25Å; L207-R211 VanDerWaalsContact O-CB 3.3Å; L207-R211 WeakPolarHBondContact O-CB 3.44Å; L207-R211 WeakPolarHBondContact O-CD 3.46Å; L207-R211 WeakPolarHBondContact O-CG 3.43Å; L207-R211 PolarHBondContact O-N 3.47Å; E208-R211 PolarHBondContact O-N 3.39Å; I209-R211 VanDerWaalsContact C-N 3.32Å; I209-R211 PolarHBondContact O-N 2.76Å |
| 212 | S | 81.1 | Confident | 71.8 | Confident | 47 Ų | 47 | 84.2 Ų | 84.2 | 33% | 0.329 | 44% | 0.44 | S | S | . | . | S | Bend | trans | -70.9 | 131.7 | -179.5 | -70.1 | 0 | 0 | 0 | 0 | 110.8 | E208 I209 Q214 | E208-S212 VanDerWaalsContact O-CB 3.31Å; E208-S212 WeakPolarHBondContact O-CB 3.49Å; E208-S212 PolarHBondContact O-N 2.93Å; E208-S212 PolarHBondContact O-OG 3.26Å; I209-S212 PolarHBondContact O-N 3.25Å; S212-Q214 PolarHBondContact O-N 3.25Å; S212-Q214 VanDerWaalsContact O-N 3.1Å |
| 213 | P | 61.8 | Low | 68.7 | Low | 123 Ų | 123 | 89.8 Ų | 89.8 | 80% | 0.799 | 48% | 0.478 | S | S | * | . | trans | -54.9 | 121.1 | 168 | -19 | 29.4 | 0 | 0 | 0 | 108.3 | K215 | P213-K215 PolarHBondContact O-N 3.35Š| ||
| 214 | Q | 56.8 | Low | 65.6 | Low | 131 Ų | 131 | 97.2 Ų | 97.2 | 61% | 0.612 | 52% | 0.516 | S | S | * | . | trans | -33.5 | 93.8 | -170.6 | -77.8 | 173.9 | 3.5 | 0 | 0 | 112.7 | S212 E216 | S212-Q214 PolarHBondContact O-N 3.25Å; S212-Q214 VanDerWaalsContact O-N 3.1Å; Q214-E216 PolarHBondContact O-N 3.3Å | ||
| 215 | K | 48 | Very low | 62.3 | Low | 157 Ų | 157 | 94.7 Ų | 94.7 | 68% | 0.683 | 52% | 0.52 | S | S | * | . | trans | -65.8 | 124.6 | 165.4 | -87.6 | 177.9 | 175.7 | 171.4 | 0 | 105.9 | P213 W217 | P213-K215 PolarHBondContact O-N 3.35Å; K215-W217 PolarHBondContact O-N 3.28Å; K215-W217 PolarHBondContact O-NE1 2.79Å | ||
| 216 | E | 51.5 | Low | 59.1 | Low | 145 Ų | 145 | 99.3 Ų | 99.3 | 68% | 0.678 | 55% | 0.547 | S | S | * | . | trans | -57.4 | 111.5 | 161.3 | -71.7 | -170.9 | 143.3 | 0 | 0 | 106.7 | M1 Q214 T218 | M1-E216 PolarHBondContact N-OE1 3.03Å; Q214-E216 PolarHBondContact O-N 3.3Å; E216-T218 PolarHBondContact O-N 3.37Å | ||
| 217 | W | 50.5 | Low | 55.8 | Low | 96 Ų | 96 | 105.6 Ų | 105.6 | 36% | 0.364 | 59% | 0.585 | S | S | . | * | trans | -70.6 | 81.5 | 176.8 | -61.2 | 89.5 | 0 | 0 | 0 | 107.8 | F5 I209 K215 N219 | F5-W217 AromaticContact CD2-CD2 3.94Å; F5-W217 HydrophobicContact CD2-CD2 3.94Å; F5-W217 AromaticContact CD2-CE2 3.75Å; F5-W217 AromaticContact CD2-CE3 3.86Å; F5-W217 HydrophobicContact CD2-CE3 3.86Å; F5-W217 AromaticContact CD2-CH2 3.47Å; F5-W217 HydrophobicContact CD2-CH2 3.47Å; F5-W217 VanDerWaalsContact CD2-CH2 3.47Å; F5-W217 AromaticContact CD2-CZ2 3.53Å; F5-W217 HydrophobicContact CD2-CZ2 3.53Å; F5-W217 AromaticContact CD2-CZ3 3.64Å; F5-W217 HydrophobicContact CD2-CZ3 3.64Å; F5-W217 HydrophobicContact CE2-CD2 4.43Å; F5-W217 AromaticContact CE2-CE3 3.87Å; F5-W217 HydrophobicContact CE2-CE3 3.87Å; F5-W217 AromaticContact CE2-CH2 3.47Å; F5-W217 HydrophobicContact CE2-CH2 3.47Å; F5-W217 VanDerWaalsContact CE2-CH2 3.47Å; F5-W217 HydrophobicContact CE2-CZ2 4.05Å; F5-W217 AromaticContact CE2-CZ3 3.37Å; F5-W217 HydrophobicContact CE2-CZ3 3.37Å; F5-W217 HydrophobicContact CG-CZ2 4.38Å; I209-W217 HydrophobicContact CD1-CH2 4.27Å; I209-W217 HydrophobicContact CG1-CH2 3.85Å; I209-W217 HydrophobicContact CG1-CZ2 4.04Å; I209-W217 HydrophobicContact CG2-CZ2 3.91Å; K215-W217 PolarHBondContact O-N 3.28Å; K215-W217 PolarHBondContact O-NE1 2.79Å; W217-N219 PolarHBondContact O-N 3.47Å | ||
| 218 | T | 44.3 | Very low | 52.8 | Low | 111 Ų | 111 | 112.5 Ų | 112.5 | 68% | 0.681 | 62% | 0.622 | S | S | * | * | trans | -64.4 | 120.8 | 174.4 | 51.4 | 0 | 0 | 0 | 0 | 108.2 | E216 V220 | E216-T218 PolarHBondContact O-N 3.37Å; T218-V220 PolarHBondContact O-N 3.18Å | ||
| 219 | N | 43.2 | Very low | 49.7 | Very low | 140 Ų | 140 | 111.4 Ų | 111.4 | 75% | 0.749 | 63% | 0.628 | S | S | * | * | trans | -31.8 | 100.3 | 179.1 | -66.3 | -54.3 | 0 | 0 | 0 | 113.1 | W217 G221 | W217-N219 PolarHBondContact O-N 3.47Å; N219-G221 PolarHBondContact O-N 3.3Å | ||
| 220 | V | 44.1 | Very low | 46.9 | Very low | 144 Ų | 144 | 117.1 Ų | 117.1 | 87% | 0.873 | 66% | 0.664 | S | S | * | * | trans | -80.2 | 68.2 | 159.8 | -154.8 | 0 | 0 | 0 | 0 | 106.3 | T218 | T218-V220 PolarHBondContact O-N 3.18Š| ||
| 221 | G | 36.1 | Very low | 43.9 | Very low | 38 Ų | 38 | 127 Ų | 127 | 39% | 0.392 | 70% | 0.699 | S | S | . | * | trans | -62.1 | 150.1 | 165.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | N219 C223 | N219-G221 PolarHBondContact O-N 3.3Å; G221-C223 PolarHBondContact O-N 2.67Å | ||
| 222 | P | 38.8 | Very low | 41.1 | Very low | 107 Ų | 107 | 124.2 Ų | 124.2 | 70% | 0.695 | 70% | 0.703 | S | S | * | * | trans | -60.9 | 114.5 | 175 | 25.4 | -30.1 | 0 | 0 | 0 | 107.3 | I224 | P222-I224 VanDerWaalsContact O-CG1 3.28Å; P222-I224 WeakPolarHBondContact O-CG1 3.37Å; P222-I224 PolarHBondContact O-N 3.01Å | ||
| 223 | C | 31 | Very low | 38.7 | Very low | 128 Ų | 128 | 129.4 Ų | 129.4 | 87% | 0.865 | 73% | 0.727 | S | S | * | * | trans | -64.3 | 82.5 | 171.4 | -62.3 | 0 | 0 | 0 | 0 | 108.4 | G221 G225 | G221-C223 PolarHBondContact O-N 2.67Å; C223-G225 VanDerWaalsContact C-N 3.32Å; C223-G225 PolarHBondContact O-N 3.35Å | ||
| 224 | I | 33.6 | Very low | 37.1 | Very low | 160 Ų | 160 | 127.2 Ų | 127.2 | 82% | 0.821 | 73% | 0.727 | S | S | * | * | trans | -74.3 | 95.5 | 165.7 | -0 | 175.7 | 0 | 0 | 0 | 105.5 | P222 N226 | P222-I224 VanDerWaalsContact O-CG1 3.28Å; P222-I224 WeakPolarHBondContact O-CG1 3.37Å; P222-I224 PolarHBondContact O-N 3.01Å; I224-N226 PolarHBondContact O-N 3.28Å; I224-N226 VanDerWaalsContact O-N 3.17Å | ||
| 225 | G | 27 | Very low | 36 | Very low | 60 Ų | 60 | 128.3 Ų | 128.3 | 62% | 0.619 | 73% | 0.732 | S | S | * | * | trans | -61.2 | 112.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | C223 V227 | C223-G225 VanDerWaalsContact C-N 3.32Å; C223-G225 PolarHBondContact O-N 3.35Å; G225-V227 PolarHBondContact O-N 3.44Å | ||
| 226 | N | 29.1 | Very low | 35.1 | Very low | 163 Ų | 163 | 132.8 Ų | 132.8 | 87% | 0.872 | 75% | 0.745 | S | S | * | * | trans | -84 | 75.6 | 155.7 | -102 | 8.4 | 0 | 0 | 0 | 108.3 | I224 L228 | I224-N226 PolarHBondContact O-N 3.28Å; I224-N226 VanDerWaalsContact O-N 3.17Å; N226-L228 VanDerWaalsContact C-N 3.31Å; N226-L228 PolarHBondContact O-N 2.88Å | ||
| 227 | V | 29.2 | Very low | 34.4 | Very low | 132 Ų | 132 | 135 Ų | 135 | 80% | 0.8 | 75% | 0.748 | S | S | * | * | trans | -86.3 | 79 | 164.2 | -177.3 | 0 | 0 | 0 | 0 | 107.3 | G225 | G225-V227 PolarHBondContact O-N 3.44Š| ||
| 228 | L | 30.9 | Very low | 33.6 | Very low | 159 Ų | 159 | 133.8 Ų | 133.8 | 83% | 0.832 | 77% | 0.766 | S | S | * | * | trans | -140.1 | 72.3 | 165.5 | -72.1 | 176.5 | 0 | 0 | 0 | 108.4 | N226 | N226-L228 VanDerWaalsContact C-N 3.31Å; N226-L228 PolarHBondContact O-N 2.88Å | ||
| 229 | S | 31.4 | Very low | 32.9 | Very low | 102 Ų | 102 | 132.4 Ų | 132.4 | 71% | 0.713 | 77% | 0.773 | S | S | * | * | trans | -113.5 | 100.3 | 154.5 | 68.4 | 0 | 0 | 0 | 0 | 107.2 | R231 | S229-R231 PolarHBondContact O-N 2.56Š| ||
| 230 | T | 32.9 | Very low | 32.7 | Very low | 141 Ų | 141 | 131.8 Ų | 131.8 | 87% | 0.865 | 78% | 0.78 | S | S | * | * | trans | -66.4 | 95.5 | 170.6 | 40.1 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 231 | R | 31 | Very low | 32.4 | Very low | 232 Ų | 232 | 136.2 Ų | 136.2 | 88% | 0.875 | 78% | 0.781 | S | S | * | * | trans | -73.4 | 133 | 171.3 | -85.9 | -173.7 | 176 | -169.4 | -0.7 | 110.2 | S229 | S229-R231 PolarHBondContact O-N 2.56Š| ||
| 232 | S | 30 | Very low | 32.2 | Very low | 93 Ų | 93 | 146.2 Ų | 146.2 | 65% | 0.65 | 81% | 0.807 | S | S | * | * | trans | -52.2 | 157.8 | 174.9 | 54.3 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 233 | N | 31.3 | Very low | 32.6 | Very low | 155 Ų | 155 | 146.5 Ų | 146.5 | 83% | 0.829 | 81% | 0.809 | S | S | * | * | trans | 72.9 | 95.1 | 145.7 | -69.7 | -8.9 | 0 | 0 | 0 | 118.1 | ||||
| 234 | G | 28.2 | Very low | 32.9 | Very low | 77 Ų | 77 | 153.1 Ų | 153.1 | 79% | 0.794 | 83% | 0.826 | S | S | * | * | 68.9 | 85.2 | 103.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 235 | E | 34.3 | Very low | 32.9 | Very low | 155 Ų | 155 | 152.8 Ų | 152.8 | 72% | 0.724 | 83% | 0.827 | S | S | * | * | trans | -128.7 | 104.9 | 150.9 | -74.9 | -170.9 | 148.5 | 0 | 0 | 109.3 | Y237 | E235-Y237 HydrophobicContact CB-CD2 4Å; E235-Y237 HydrophobicContact CB-CE2 3.91Å; E235-Y237 HydrophobicContact CG-CE2 4.42Å; E235-Y237 PolarHBondContact O-N 2.76Å | ||
| 236 | R | 29.4 | Very low | 33.2 | Very low | 251 Ų | 251 | 157.7 Ų | 157.7 | 95% | 0.947 | 84% | 0.838 | S | S | * | * | trans | -70.7 | 98.1 | 165.2 | -73.7 | 178.9 | -179.3 | -173.4 | 0.3 | 107.4 | ||||
| 237 | Y | 36.5 | Very low | 33.4 | Very low | 191 Ų | 191 | 157.4 Ų | 157.4 | 75% | 0.749 | 84% | 0.836 | S | S | * | * | trans | -92.2 | 110.8 | 161.1 | -83.5 | -81.2 | 0 | 0 | 0 | 109.5 | E235 | E235-Y237 HydrophobicContact CB-CD2 4Å; E235-Y237 HydrophobicContact CB-CE2 3.91Å; E235-Y237 HydrophobicContact CG-CE2 4.42Å; E235-Y237 PolarHBondContact O-N 2.76Å | ||
| 238 | G | 32.6 | Very low | 33.7 | Very low | 71 Ų | 71 | 158.9 Ų | 158.9 | 73% | 0.732 | 84% | 0.838 | S | S | * | * | trans | -64.9 | 163.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 239 | G | 29.4 | Very low | 33.9 | Very low | 82 Ų | 82 | 158.9 Ų | 158.9 | 85% | 0.845 | 84% | 0.838 | S | S | * | * | trans | -66.2 | 161.6 | -163.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 240 | S | 40.1 | Very low | 34 | Very low | 127 Ų | 127 | 162.7 Ų | 162.7 | 89% | 0.888 | 85% | 0.847 | S | S | * | * | trans | -149.3 | 157.5 | 140.1 | 72.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 241 | R | 37.8 | Very low | 34.1 | Very low | 237 Ų | 237 | 164.2 Ų | 164.2 | 89% | 0.894 | 85% | 0.845 | S | S | * | * | trans | -72.8 | 151.7 | -152.1 | -67.9 | 159.5 | -179.1 | -163.8 | -0.6 | 113.7 | P243 | R241-P243 WeakPolarHBondContact O-CD 3.31Š| ||
| 242 | R | 30.8 | Very low | 34.4 | Very low | 248 Ų | 248 | 159 Ų | 159 | 94% | 0.936 | 84% | 0.843 | S | S | * | * | trans | -59 | 139.4 | 154.2 | -67.8 | -178.2 | 177.7 | -170.6 | -1.8 | 110.2 | ||||
| 243 | P | 47.4 | Very low | 34.7 | Very low | 113 Ų | 113 | 164.5 Ų | 164.5 | 73% | 0.734 | 86% | 0.859 | S | S | * | * | trans | -129.9 | 134.5 | 133.5 | 30.2 | -15.3 | 0 | 0 | 0 | 111 | R241 | R241-P243 WeakPolarHBondContact O-CD 3.31Š| ||
| 244 | H | 38.8 | Very low | 35 | Very low | 267 Ų | 267 | 165.4 Ų | 165.4 | 100% | 1.236 | 86% | 0.862 | S | S | * | * | trans | 26.9 | 0 | 160.7 | -62.6 | -67.6 | 0 | 0 | 0 | 120.6 |
Retrieved 244 of 244 residues in 172.3 ms
(Link to these results)