| 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 | 45.6 | Very low | 80.3 | Confident | 231 Ų | 231 | 87.9 Ų | 87.9 | 100% | 1.138 | 45% | 0.454 | S | S | * | . | 0 | 134.5 | 0 | -90.4 | 179.6 | -98.8 | 0 | 0 | 106.8 | D3 | M1-D3 PolarHBondContact O-N 3.19Š| |||
| 2 | L | 53.7 | Low | 81.3 | Confident | 143 Ų | 143 | 80.6 Ų | 80.6 | 75% | 0.749 | 42% | 0.416 | S | S | * | . | trans | -55.5 | 137.7 | 171.4 | -80.4 | 130.2 | 0 | 0 | 0 | 108.7 | F4 | L2-F4 PolarHBondContact O-N 2.7Š| ||
| 3 | D | 80.4 | Confident | 82.3 | Confident | 99 Ų | 99 | 76.1 Ų | 76.1 | 53% | 0.529 | 39% | 0.392 | S | S | . | . | trans | -54.6 | 122.4 | 173.8 | 174.2 | 0.3 | 0 | 0 | 0 | 109 | M1 L5 A6 | M1-D3 PolarHBondContact O-N 3.19Å; D3-L5 PolarHBondContact O-N 2.92Å; D3-L5 PolarHBondContact OD1-N 3.29Å; D3-A6 HydrophobicContact CB-CB 4.09Å; D3-A6 VanDerWaalsContact O-CB 3.25Å; D3-A6 WeakPolarHBondContact O-CB 3.28Å; D3-A6 PolarHBondContact O-N 3.09Å; D3-A6 VanDerWaalsContact O-N 3.12Å | ||
| 4 | F | 86.3 | Confident | 83.2 | Confident | 4 Ų | 4 | 72.4 Ų | 72.4 | 2% | 0.018 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -28.4 | -174.4 | -175.8 | -106.1 | 0 | 0 | 0 | 111.3 | L2 N9 G12 I15 V129 N132 D134 L138 | L2-F4 PolarHBondContact O-N 2.7Å; F4-N9 VanDerWaalsContact CD2-ND2 3.32Å; F4-N9 WeakPolarHBondContact CD2-ND2 3.43Å; F4-N9 WeakPolarHBondContact O-CB 3.49Å; F4-N9 PolarHBondContact O-ND2 3.38Å; F4-G12 VanDerWaalsContact CE1-CA 3.41Å; F4-I15 HydrophobicContact CE1-CG2 4.22Å; F4-V129 HydrophobicContact CE1-CG1 4.4Å; F4-V129 HydrophobicContact CE2-CG1 4.41Å; F4-V129 HydrophobicContact CE2-CG2 4.24Å; F4-V129 HydrophobicContact CZ-CG1 3.75Å; F4-V129 HydrophobicContact CZ-CG2 4.17Å; F4-N132 WeakPolarHBondContact CB-OD1 3.18Å; F4-N132 WeakPolarHBondContact CG-OD1 3.49Å; F4-D134 HydrophobicContact CB-CB 4.39Å; F4-D134 HydrophobicContact CD1-CB 4.07Å; F4-L138 HydrophobicContact CE1-CD1 4.48Å |
| 5 | L | 88.7 | Confident | 84.1 | Confident | 27 Ų | 27 | 67.5 Ų | 67.5 | 14% | 0.141 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | 6 | 179.7 | -55.5 | 175.3 | 0 | 0 | 0 | 112.7 | D3 Q13 L16 D134 L138 | D3-L5 PolarHBondContact O-N 2.92Å; D3-L5 PolarHBondContact OD1-N 3.29Å; L5-Q13 PolarHBondContact O-NE2 3.26Å; L5-L16 HydrophobicContact CD2-CB 4.41Å; L5-L16 HydrophobicContact CD2-CD2 4.14Å; L5-D134 HydrophobicContact CD1-CB 4.14Å; L5-D134 HydrophobicContact CD2-CB 4.32Å; L5-D134 HydrophobicContact CG-CB 4.09Å; L5-L138 HydrophobicContact CD2-CD1 3.53Å |
| 6 | A | 87.2 | Confident | 84.8 | Confident | 23 Ų | 23 | 63.3 Ų | 63.3 | 19% | 0.19 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -59.4 | 146.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | D3 N8 N9 | D3-A6 HydrophobicContact CB-CB 4.09Å; D3-A6 VanDerWaalsContact O-CB 3.25Å; D3-A6 WeakPolarHBondContact O-CB 3.28Å; D3-A6 PolarHBondContact O-N 3.09Å; D3-A6 VanDerWaalsContact O-N 3.12Å; A6-N8 WeakPolarHBondContact CB-OD1 3.43Å; A6-N8 PolarHBondContact O-N 3.37Å; A6-N8 VanDerWaalsContact O-N 3.08Å; A6-N9 PolarHBondContact O-N 3.05Å |
| 7 | E | 82.7 | Confident | 85.5 | Confident | 162 Ų | 162 | 68.8 Ų | 68.8 | 76% | 0.757 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -26.2 | -177.2 | -65.2 | -174.3 | 165.6 | 0 | 0 | 113.5 | ||
| 8 | N | 86.3 | Confident | 86.1 | Confident | 118 Ų | 118 | 66 Ų | 66 | 63% | 0.631 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -11.5 | 178.1 | 64.7 | -15.3 | 0 | 0 | 0 | 113.8 | A6 L10 | A6-N8 WeakPolarHBondContact CB-OD1 3.43Å; A6-N8 PolarHBondContact O-N 3.37Å; A6-N8 VanDerWaalsContact O-N 3.08Å; N8-L10 PolarHBondContact O-N 3.31Å |
| 9 | N | 89.5 | Confident | 86.7 | Confident | 29 Ų | 29 | 62.5 Ų | 62.5 | 16% | 0.155 | 32% | 0.315 | C | S | . | . | trans | -91.2 | 90.4 | 175.4 | -173.9 | -4.5 | 0 | 0 | 0 | 110.7 | F4 A6 C11 G12 Q13 | F4-N9 VanDerWaalsContact CD2-ND2 3.32Å; F4-N9 WeakPolarHBondContact CD2-ND2 3.43Å; F4-N9 WeakPolarHBondContact O-CB 3.49Å; F4-N9 PolarHBondContact O-ND2 3.38Å; A6-N9 PolarHBondContact O-N 3.05Å; N9-C11 PolarHBondContact O-N 3.48Å; N9-C11 WeakPolarHBondContact OD1-CB 3.5Å; N9-C11 PolarHBondContact OD1-N 3.34Å; N9-G12 PolarHBondContact O-N 2.83Å; N9-G12 PolarHBondContact OD1-N 3.1Å; N9-Q13 WeakPolarHBondContact O-CB 3.41Å; N9-Q13 WeakPolarHBondContact O-CG 3.43Å; N9-Q13 PolarHBondContact O-N 3.1Å | ||
| 10 | L | 90 | Very high | 87.2 | Confident | 129 Ų | 129 | 59.5 Ų | 59.5 | 68% | 0.675 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -57.5 | -33.8 | -178.9 | -63.4 | 176.5 | 0 | 0 | 0 | 113.3 | N8 A14 Y121 | N8-L10 PolarHBondContact O-N 3.31Å; L10-A14 VanDerWaalsContact O-CB 3.29Å; L10-A14 WeakPolarHBondContact O-CB 3.44Å; L10-A14 PolarHBondContact O-N 3.22Å; L10-Y121 HydrophobicContact CB-CD1 4.41Å; L10-Y121 HydrophobicContact CB-CE1 4.28Å |
| 11 | C | 92.3 | Very high | 87.6 | Confident | 2 Ų | 2 | 59.3 Ų | 59.3 | 1% | 0.014 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.5 | -51.5 | 178.4 | 172.7 | 0 | 0 | 0 | 0 | 111.2 | N9 Q13 A14 I15 Y112 Y121 Q124 | N9-C11 PolarHBondContact O-N 3.48Å; N9-C11 WeakPolarHBondContact OD1-CB 3.5Å; N9-C11 PolarHBondContact OD1-N 3.34Å; C11-Q13 PolarHBondContact O-N 2.95Å; C11-A14 PolarHBondContact O-N 3.49Å; C11-I15 PolarHBondContact O-N 3.19Å; C11-Y112 PolarHBondContact O-OH 3.46Å; C11-Y112 PolarHBondContact SG-OH 3.37Å; C11-Y121 HydrophobicContact CB-CD1 3.58Å; C11-Y121 HydrophobicContact CB-CD2 4.34Å; C11-Y121 HydrophobicContact CB-CE1 4.15Å; C11-Y121 HydrophobicContact CB-CG 3.69Å; C11-Q124 HydrophobicContact CB-CB 4.3Å; C11-Q124 HydrophobicContact CB-CG 3.97Å |
| 12 | G | 92.8 | Very high | 90 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.2 | -39.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | F4 N9 A14 I15 L16 | F4-G12 VanDerWaalsContact CE1-CA 3.41Å; N9-G12 PolarHBondContact O-N 2.83Å; N9-G12 PolarHBondContact OD1-N 3.1Å; G12-A14 PolarHBondContact O-N 3.5Å; G12-I15 WeakPolarHBondContact O-CG2 3.29Å; G12-L16 WeakPolarHBondContact O-CB 3.37Å; G12-L16 PolarHBondContact O-N 2.99Å |
| 13 | Q | 94.4 | Very high | 92 | Very high | 22 Ų | 22 | 42 Ų | 42 | 10% | 0.103 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.3 | -37.2 | 176.5 | -72.8 | -66.4 | -32.8 | 0 | 0 | 113 | L5 N9 C11 R17 | L5-Q13 PolarHBondContact O-NE2 3.26Å; N9-Q13 WeakPolarHBondContact O-CB 3.41Å; N9-Q13 WeakPolarHBondContact O-CG 3.43Å; N9-Q13 PolarHBondContact O-N 3.1Å; C11-Q13 PolarHBondContact O-N 2.95Å; Q13-R17 WeakPolarHBondContact O-CB 3.41Å; Q13-R17 VanDerWaalsContact O-CG 3.23Å; Q13-R17 WeakPolarHBondContact O-CG 3.23Å; Q13-R17 PolarHBondContact O-N 3.28Å |
| 14 | A | 94.7 | Very high | 92.8 | Very high | 24 Ų | 24 | 38 Ų | 38 | 20% | 0.198 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.8 | -50.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L10 C11 G12 R17 I18 Y112 Y121 | L10-A14 VanDerWaalsContact O-CB 3.29Å; L10-A14 WeakPolarHBondContact O-CB 3.44Å; L10-A14 PolarHBondContact O-N 3.22Å; C11-A14 PolarHBondContact O-N 3.49Å; G12-A14 PolarHBondContact O-N 3.5Å; A14-R17 PolarHBondContact O-N 3.11Å; A14-I18 WeakPolarHBondContact O-CG1 3.46Å; A14-I18 PolarHBondContact O-N 3.15Å; A14-I18 VanDerWaalsContact O-N 3.13Å; A14-Y112 HydrophobicContact CB-CD2 3.82Å; A14-Y112 HydrophobicContact CB-CE2 3.85Å; A14-Y121 WeakPolarHBondContact CB-OH 3.4Å |
| 15 | I | 96.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -68.5 | -36.8 | 178.3 | -170.7 | 64 | 0 | 0 | 0 | 112.3 | F4 C11 G12 R17 I18 V19 L109 Y112 L138 L139 A142 | F4-I15 HydrophobicContact CE1-CG2 4.22Å; C11-I15 PolarHBondContact O-N 3.19Å; G12-I15 WeakPolarHBondContact O-CG2 3.29Å; I15-R17 VanDerWaalsContact C-N 3.32Å; I15-R17 PolarHBondContact O-N 3.22Å; I15-I18 HydrophobicContact CD1-CD1 4.42Å; I15-I18 PolarHBondContact O-N 3.22Å; I15-V19 HydrophobicContact CG1-CG2 4.48Å; I15-V19 WeakPolarHBondContact O-CG2 3.38Å; I15-V19 PolarHBondContact O-N 3.28Å; I15-L109 HydrophobicContact CD1-CD1 4.11Å; I15-Y112 HydrophobicContact CB-CE1 3.99Å; I15-Y112 HydrophobicContact CB-CE2 4.07Å; I15-Y112 HydrophobicContact CD1-CD1 4.06Å; I15-Y112 HydrophobicContact CD1-CE1 3.97Å; I15-Y112 HydrophobicContact CG1-CE1 4.25Å; I15-L138 HydrophobicContact CG1-CB 3.94Å; I15-L138 HydrophobicContact CG2-CB 4.19Å; I15-L138 HydrophobicContact CG2-CD1 3.96Å; I15-L139 HydrophobicContact CD1-CD2 4.05Å; I15-L139 HydrophobicContact CG1-CD2 4.17Å; I15-A142 HydrophobicContact CD1-CB 3.85Å |
| 16 | L | 96.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.8 | -42 | 174.7 | 177.6 | 61.7 | 0 | 0 | 0 | 111.6 | L5 G12 V19 S20 L138 R599 Q602 A603 | L5-L16 HydrophobicContact CD2-CB 4.41Å; L5-L16 HydrophobicContact CD2-CD2 4.14Å; G12-L16 WeakPolarHBondContact O-CB 3.37Å; G12-L16 PolarHBondContact O-N 2.99Å; L16-V19 PolarHBondContact O-N 3.46Å; L16-S20 VanDerWaalsContact O-CB 3.25Å; L16-S20 WeakPolarHBondContact O-CB 3.21Å; L16-S20 PolarHBondContact O-N 3.07Å; L16-L138 HydrophobicContact CB-CD1 4.22Å; L16-L138 HydrophobicContact CD1-CD1 4.48Å; L16-L138 HydrophobicContact CD1-CD2 4.03Å; L16-R599 HydrophobicContact CD1-CB 4.37Å; L16-Q602 HydrophobicContact CD1-CB 4.02Å; L16-Q602 HydrophobicContact CD2-CB 4.17Å; L16-A603 HydrophobicContact CD2-CB 4.3Å; L16-A603 HydrophobicContact CG-CB 3.97Å |
| 17 | R | 95.9 | Very high | 94.1 | Very high | 156 Ų | 156 | 36.3 Ų | 36.3 | 59% | 0.589 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -63.3 | -43 | 174.8 | -75.2 | 172.5 | -173.8 | -176 | 2.8 | 112.1 | Q13 A14 I15 S20 C21 | Q13-R17 WeakPolarHBondContact O-CB 3.41Å; Q13-R17 VanDerWaalsContact O-CG 3.23Å; Q13-R17 WeakPolarHBondContact O-CG 3.23Å; Q13-R17 PolarHBondContact O-N 3.28Å; A14-R17 PolarHBondContact O-N 3.11Å; I15-R17 VanDerWaalsContact C-N 3.32Å; I15-R17 PolarHBondContact O-N 3.22Å; R17-S20 WeakPolarHBondContact O-CB 3.33Å; R17-S20 PolarHBondContact O-N 3.3Å; R17-C21 WeakPolarHBondContact O-CB 3.46Å; R17-C21 PolarHBondContact O-N 3.16Å; R17-C21 PolarHBondContact O-SG 3.39Å |
| 18 | I | 97.1 | Very high | 94.7 | Very high | 19 Ų | 19 | 30.6 Ų | 30.6 | 10% | 0.097 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -58.2 | -54.3 | 176 | -67.1 | 166.7 | 0 | 0 | 0 | 109.5 | A14 I15 S20 C21 G22 Y105 L109 Y112 | A14-I18 WeakPolarHBondContact O-CG1 3.46Å; A14-I18 PolarHBondContact O-N 3.15Å; A14-I18 VanDerWaalsContact O-N 3.13Å; I15-I18 HydrophobicContact CD1-CD1 4.42Å; I15-I18 PolarHBondContact O-N 3.22Å; I18-S20 VanDerWaalsContact C-N 3.32Å; I18-S20 PolarHBondContact O-N 3.39Å; I18-C21 WeakPolarHBondContact O-CB 3.26Å; I18-C21 PolarHBondContact O-N 2.91Å; I18-C21 VanDerWaalsContact O-N 3.12Å; I18-G22 PolarHBondContact O-N 2.97Å; I18-Y105 HydrophobicContact CG2-CD2 4.18Å; I18-Y105 HydrophobicContact CG2-CE1 4.41Å; I18-Y105 HydrophobicContact CG2-CE2 3.67Å; I18-Y105 WeakPolarHBondContact O-CE2 3.35Å; I18-L109 HydrophobicContact CG2-CB 4.48Å; I18-Y112 HydrophobicContact CD1-CG 4.17Å |
| 19 | V | 97.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.9 | -39.4 | -179.8 | 176.4 | 0 | 0 | 0 | 0 | 112.2 | I15 L16 G22 N23 L138 E141 A142 L145 R599 | I15-V19 HydrophobicContact CG1-CG2 4.48Å; I15-V19 WeakPolarHBondContact O-CG2 3.38Å; I15-V19 PolarHBondContact O-N 3.28Å; L16-V19 PolarHBondContact O-N 3.46Å; V19-G22 PolarHBondContact O-N 3.42Å; V19-N23 PolarHBondContact O-N 3.44Å; V19-N23 PolarHBondContact O-ND2 2.91Å; V19-L138 HydrophobicContact CB-CD2 4.09Å; V19-L138 HydrophobicContact CG1-CD2 4.13Å; V19-L138 HydrophobicContact CG2-CB 4.36Å; V19-L138 HydrophobicContact CG2-CD2 4Å; V19-L138 WeakPolarHBondContact CG2-O 3.5Å; V19-E141 HydrophobicContact CG1-CB 4Å; V19-E141 HydrophobicContact CG2-CB 4.38Å; V19-A142 HydrophobicContact CG2-CB 3.85Å; V19-L145 HydrophobicContact CB-CD1 4.49Å; V19-L145 HydrophobicContact CG1-CD1 3.75Å; V19-R599 HydrophobicContact CG1-CB 4.07Å; V19-R599 HydrophobicContact CG1-CG 3.8Å |
| 20 | S | 96.4 | Very high | 95.3 | Very high | 2 Ų | 2 | 24.5 Ų | 24.5 | 1% | 0.014 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -58.5 | -50.6 | 172.5 | 169 | 0 | 0 | 0 | 0 | 111.5 | L16 R17 I18 G22 N23 A24 I600 | L16-S20 VanDerWaalsContact O-CB 3.25Å; L16-S20 WeakPolarHBondContact O-CB 3.21Å; L16-S20 PolarHBondContact O-N 3.07Å; R17-S20 WeakPolarHBondContact O-CB 3.33Å; R17-S20 PolarHBondContact O-N 3.3Å; I18-S20 VanDerWaalsContact C-N 3.32Å; I18-S20 PolarHBondContact O-N 3.39Å; S20-G22 PolarHBondContact O-N 3.29Å; S20-N23 PolarHBondContact O-N 2.93Å; S20-A24 PolarHBondContact O-N 3.18Å; S20-I600 WeakPolarHBondContact OG-CA 3.29Å |
| 21 | C | 96.3 | Very high | 95.5 | Very high | 56 Ų | 56 | 20.4 Ų | 20.4 | 38% | 0.378 | 10% | 0.101 | S | C | . | . | H | α-helix | trans | -58.8 | -34.8 | 175.5 | -71.5 | 0 | 0 | 0 | 0 | 111.6 | R17 I18 N23 A24 I25 | R17-C21 WeakPolarHBondContact O-CB 3.46Å; R17-C21 PolarHBondContact O-N 3.16Å; R17-C21 PolarHBondContact O-SG 3.39Å; I18-C21 WeakPolarHBondContact O-CB 3.26Å; I18-C21 PolarHBondContact O-N 2.91Å; I18-C21 VanDerWaalsContact O-N 3.12Å; C21-N23 PolarHBondContact O-N 3.34Å; C21-A24 PolarHBondContact O-N 3.49Å; C21-I25 VanDerWaalsContact O-CG1 3.25Å; C21-I25 WeakPolarHBondContact O-CG1 3.46Å; C21-I25 PolarHBondContact O-N 2.96Å |
| 22 | G | 96.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61.9 | -44.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | I18 V19 S20 A24 I25 I26 M149 | I18-G22 PolarHBondContact O-N 2.97Å; V19-G22 PolarHBondContact O-N 3.42Å; S20-G22 PolarHBondContact O-N 3.29Å; G22-A24 VanDerWaalsContact C-N 3.34Å; G22-A24 PolarHBondContact O-N 3.31Å; G22-I25 PolarHBondContact O-N 2.94Å; G22-I26 WeakPolarHBondContact O-CG1 3.38Å; G22-I26 PolarHBondContact O-N 2.9Å; G22-I26 VanDerWaalsContact O-N 3.12Å; G22-M149 WeakPolarHBondContact O-CE 3.4Å |
| 23 | N | 95.4 | Very high | 95.4 | Very high | 9 Ų | 9 | 21.2 Ų | 21.2 | 5% | 0.048 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -64.6 | -38.4 | 174.3 | -75.6 | -71.2 | 0 | 0 | 0 | 112.1 | V19 S20 C21 I26 A27 P596 I600 | V19-N23 PolarHBondContact O-N 3.44Å; V19-N23 PolarHBondContact O-ND2 2.91Å; S20-N23 PolarHBondContact O-N 2.93Å; C21-N23 PolarHBondContact O-N 3.34Å; N23-I26 PolarHBondContact O-N 3.25Å; N23-A27 PolarHBondContact O-N 3.24Å; N23-A27 VanDerWaalsContact O-N 3.1Å; N23-P596 WeakPolarHBondContact CB-O 3.28Å; N23-I600 HydrophobicContact CB-CD1 3.88Å; N23-I600 HydrophobicContact CB-CG1 4.12Å |
| 24 | A | 96.5 | Very high | 95.1 | Very high | 15 Ų | 15 | 25.9 Ų | 25.9 | 12% | 0.124 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64.9 | -41.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | S20 C21 G22 A27 E28 D607 V611 | S20-A24 PolarHBondContact O-N 3.18Å; C21-A24 PolarHBondContact O-N 3.49Å; G22-A24 VanDerWaalsContact C-N 3.34Å; G22-A24 PolarHBondContact O-N 3.31Å; A24-A27 PolarHBondContact O-N 3.09Å; A24-E28 PolarHBondContact O-N 3.46Å; A24-D607 HydrophobicContact CB-CB 3.98Å; A24-V611 HydrophobicContact CB-CG2 4.02Å |
| 25 | I | 97.3 | Very high | 94.8 | Very high | 19 Ų | 19 | 29 Ų | 29 | 10% | 0.097 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63 | -45.8 | 176.7 | -69.1 | 163.4 | 0 | 0 | 0 | 110.7 | C21 G22 A27 E28 L29 S101 V102 Y105 M149 | C21-I25 VanDerWaalsContact O-CG1 3.25Å; C21-I25 WeakPolarHBondContact O-CG1 3.46Å; C21-I25 PolarHBondContact O-N 2.96Å; G22-I25 PolarHBondContact O-N 2.94Å; I25-A27 VanDerWaalsContact C-N 3.32Å; I25-A27 PolarHBondContact O-N 2.99Å; I25-E28 PolarHBondContact O-N 3.11Å; I25-L29 HydrophobicContact CG2-CD1 3.89Å; I25-L29 HydrophobicContact CG2-CG 4.24Å; I25-L29 WeakPolarHBondContact O-CB 3.37Å; I25-L29 VanDerWaalsContact O-CG 3.28Å; I25-L29 WeakPolarHBondContact O-CG 3.36Å; I25-L29 PolarHBondContact O-N 3.03Å; I25-S101 WeakPolarHBondContact CD1-O 3.33Å; I25-V102 HydrophobicContact CG2-CG2 3.57Å; I25-Y105 HydrophobicContact CD1-CD2 4.06Å; I25-Y105 HydrophobicContact CD1-CG 4.35Å; I25-M149 HydrophobicContact CB-CE 4.2Å; I25-M149 HydrophobicContact CB-SD 4.24Å; I25-M149 HydrophobicContact CD1-CE 4.29Å; I25-M149 HydrophobicContact CD1-SD 4.4Å; I25-M149 HydrophobicContact CG2-CE 4.34Å; I25-M149 HydrophobicContact CG2-CG 4.14Å; I25-M149 HydrophobicContact CG2-SD 3.73Å |
| 26 | I | 96.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -60.8 | -43.5 | 178.1 | -65.8 | 166.4 | 0 | 0 | 0 | 110.7 | G22 N23 E28 L29 L30 L145 V148 M149 Y293 | G22-I26 WeakPolarHBondContact O-CG1 3.38Å; G22-I26 PolarHBondContact O-N 2.9Å; G22-I26 VanDerWaalsContact O-N 3.12Å; N23-I26 PolarHBondContact O-N 3.25Å; I26-E28 PolarHBondContact O-N 3.15Å; I26-L29 PolarHBondContact O-N 3.38Å; I26-L30 HydrophobicContact CG2-CD1 3.92Å; I26-L30 HydrophobicContact CG2-CG 4.32Å; I26-L30 WeakPolarHBondContact O-CB 3.22Å; I26-L30 VanDerWaalsContact O-CG 3.29Å; I26-L30 WeakPolarHBondContact O-CG 3.39Å; I26-L30 PolarHBondContact O-N 2.99Å; I26-L145 HydrophobicContact CD1-CB 4.48Å; I26-L145 HydrophobicContact CD1-CD2 3.64Å; I26-V148 HydrophobicContact CD1-CB 4.15Å; I26-V148 HydrophobicContact CD1-CG1 3.76Å; I26-V148 HydrophobicContact CG1-CG1 4.46Å; I26-M149 HydrophobicContact CD1-CG 4.27Å; I26-M149 HydrophobicContact CG1-CG 3.62Å; I26-Y293 HydrophobicContact CD1-CE2 4.15Å; I26-Y293 HydrophobicContact CG2-CD1 4.15Å; I26-Y293 HydrophobicContact CG2-CE1 3.45Å; I26-Y293 VanDerWaalsContact CG2-CE1 3.45Å |
| 27 | A | 95 | Very high | 94 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.008 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.2 | -42.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | N23 A24 I25 L30 R31 V611 Y614 Y615 | N23-A27 PolarHBondContact O-N 3.24Å; N23-A27 VanDerWaalsContact O-N 3.1Å; A24-A27 PolarHBondContact O-N 3.09Å; I25-A27 VanDerWaalsContact C-N 3.32Å; I25-A27 PolarHBondContact O-N 2.99Å; A27-L30 PolarHBondContact O-N 3.33Å; A27-R31 VanDerWaalsContact O-CB 3.29Å; A27-R31 WeakPolarHBondContact O-CB 3.26Å; A27-R31 PolarHBondContact O-N 3.02Å; A27-V611 HydrophobicContact CB-CB 4.46Å; A27-V611 HydrophobicContact CB-CG1 3.88Å; A27-V611 HydrophobicContact CB-CG2 4.08Å; A27-Y614 HydrophobicContact CB-CD1 4.03Å; A27-Y615 HydrophobicContact CB-CE2 4.06Å |
| 28 | E | 95.4 | Very high | 93.4 | Very high | 42 Ų | 42 | 26.6 Ų | 26.6 | 20% | 0.196 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -68 | -37.7 | 176.7 | -175 | 63.1 | -170.7 | 0 | 0 | 112.2 | A24 I25 I26 R31 L32 R94 A98 | A24-E28 PolarHBondContact O-N 3.46Å; I25-E28 PolarHBondContact O-N 3.11Å; I26-E28 PolarHBondContact O-N 3.15Å; E28-R31 PolarHBondContact O-N 3.27Å; E28-R31 WeakPolarHBondContact OE2-CD 3.42Å; E28-R31 IonicContact OE2-CZ 3.58Å; E28-R31 IonicContact OE2-NE 2.76Å; E28-R31 IonicContact OE2-NH1 2.88Å; E28-R31 PolarHBondContact OE2-NH1 3.39Å; E28-L32 HydrophobicContact CG-CD1 4.04Å; E28-L32 HydrophobicContact CG-CG 4.35Å; E28-L32 WeakPolarHBondContact O-CB 3.47Å; E28-L32 WeakPolarHBondContact O-CG 3.49Å; E28-L32 PolarHBondContact O-N 3.08Å; E28-R94 IonicContact OE1-CZ 3.48Å; E28-R94 VanDerWaalsContact OE1-CZ 3.24Å; E28-R94 IonicContact OE1-NE 2.66Å; E28-R94 PolarHBondContact OE1-NE 3.35Å; E28-R94 IonicContact OE1-NH2 2.87Å; E28-R94 PolarHBondContact OE1-NH2 3.5Å; E28-R94 IonicContact OE2-NH2 3.66Å; E28-R94 PolarHBondContact OE2-NH2 3.21Å; E28-A98 HydrophobicContact CG-CB 4.4Å |
| 29 | L | 96.1 | Very high | 92.9 | Very high | 3 Ų | 3 | 27 Ų | 27 | 2% | 0.016 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.5 | -45.1 | 174.4 | -73 | 171.2 | 0 | 0 | 0 | 111.9 | I25 I26 L32 S33 A98 F99 V102 M149 V152 I153 | I25-L29 HydrophobicContact CG2-CD1 3.89Å; I25-L29 HydrophobicContact CG2-CG 4.24Å; I25-L29 WeakPolarHBondContact O-CB 3.37Å; I25-L29 VanDerWaalsContact O-CG 3.28Å; I25-L29 WeakPolarHBondContact O-CG 3.36Å; I25-L29 PolarHBondContact O-N 3.03Å; I26-L29 PolarHBondContact O-N 3.38Å; L29-L32 PolarHBondContact O-N 3.47Å; L29-S33 PolarHBondContact O-N 2.69Å; L29-A98 HydrophobicContact CD2-CB 4.32Å; L29-F99 HydrophobicContact CD2-CD1 4.49Å; L29-F99 HydrophobicContact CD2-CE1 4.46Å; L29-V102 HydrophobicContact CD1-CG2 3.98Å; L29-V102 HydrophobicContact CD2-CG2 4.47Å; L29-M149 HydrophobicContact CD1-CB 4.31Å; L29-M149 HydrophobicContact CD1-CG 4.4Å; L29-V152 HydrophobicContact CB-CG1 4.43Å; L29-I153 HydrophobicContact CD1-CD1 4.01Å; L29-I153 HydrophobicContact CD1-CG1 3.72Å; L29-I153 HydrophobicContact CD2-CD1 4.31Å; L29-I153 HydrophobicContact CD2-CG1 3.89Å; L29-I153 HydrophobicContact CG-CG1 4.4Å |
| 30 | L | 94 | Very high | 92.6 | Very high | 15 Ų | 15 | 27 Ų | 27 | 8% | 0.079 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.4 | -44 | 176.5 | -68.9 | 171 | 0 | 0 | 0 | 110.8 | I26 A27 S33 V152 K156 Y293 Y614 | I26-L30 HydrophobicContact CG2-CD1 3.92Å; I26-L30 HydrophobicContact CG2-CG 4.32Å; I26-L30 WeakPolarHBondContact O-CB 3.22Å; I26-L30 VanDerWaalsContact O-CG 3.29Å; I26-L30 WeakPolarHBondContact O-CG 3.39Å; I26-L30 PolarHBondContact O-N 2.99Å; A27-L30 PolarHBondContact O-N 3.33Å; L30-S33 WeakPolarHBondContact O-CB 3.48Å; L30-S33 PolarHBondContact O-N 3.06Å; L30-S33 PolarHBondContact O-OG 2.99Å; L30-V152 HydrophobicContact CD2-CG1 3.74Å; L30-V152 HydrophobicContact CG-CG1 4.17Å; L30-K156 HydrophobicContact CD2-CG 4.27Å; L30-Y293 HydrophobicContact CD1-CE1 4.47Å; L30-Y614 HydrophobicContact CB-CE1 3.96Å; L30-Y614 VanDerWaalsContact CB-OH 3.24Å; L30-Y614 WeakPolarHBondContact CB-OH 3.34Å; L30-Y614 HydrophobicContact CD1-CE1 4.39Å |
| 31 | R | 92.3 | Very high | 92.2 | Very high | 44 Ų | 44 | 31.5 Ų | 31.5 | 17% | 0.166 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -57.7 | -51.4 | 174.6 | -173.3 | -170.2 | -66.2 | 167.5 | -11.5 | 111.6 | A27 E28 S33 E34 F35 S610 Y614 | A27-R31 VanDerWaalsContact O-CB 3.29Å; A27-R31 WeakPolarHBondContact O-CB 3.26Å; A27-R31 PolarHBondContact O-N 3.02Å; E28-R31 PolarHBondContact O-N 3.27Å; E28-R31 WeakPolarHBondContact OE2-CD 3.42Å; E28-R31 IonicContact OE2-CZ 3.58Å; E28-R31 IonicContact OE2-NE 2.76Å; E28-R31 IonicContact OE2-NH1 2.88Å; E28-R31 PolarHBondContact OE2-NH1 3.39Å; R31-S33 VanDerWaalsContact C-N 3.25Å; R31-S33 PolarHBondContact O-N 3.37Å; R31-E34 PolarHBondContact O-N 3.39Å; R31-F35 HydrophobicContact CG-CE2 4.45Å; R31-F35 VanDerWaalsContact O-CD2 3.26Å; R31-F35 WeakPolarHBondContact O-CD2 3.4Å; R31-S610 PolarHBondContact NH1-OG 3.39Å; R31-S610 PolarHBondContact NH2-O 3.34Å; R31-S610 PolarHBondContact NH2-OG 3.05Å; R31-Y614 HydrophobicContact CB-CD2 3.91Å; R31-Y614 HydrophobicContact CB-CE2 3.84Å; R31-Y614 HydrophobicContact CG-CD2 4.12Å; R31-Y614 HydrophobicContact CG-CE2 4.31Å |
| 32 | L | 92.3 | Very high | 91.6 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.2 | -29.1 | -179.2 | -77.2 | 175.6 | 0 | 0 | 0 | 113.2 | E28 L29 E34 F35 I91 R94 F95 A98 | E28-L32 HydrophobicContact CG-CD1 4.04Å; E28-L32 HydrophobicContact CG-CG 4.35Å; E28-L32 WeakPolarHBondContact O-CB 3.47Å; E28-L32 WeakPolarHBondContact O-CG 3.49Å; E28-L32 PolarHBondContact O-N 3.08Å; L29-L32 PolarHBondContact O-N 3.47Å; L32-E34 PolarHBondContact O-N 3.05Å; L32-E34 VanDerWaalsContact O-N 3.09Å; L32-F35 PolarHBondContact O-N 3.24Å; L32-I91 HydrophobicContact CD2-CD1 4.44Å; L32-R94 HydrophobicContact CD1-CG 4.45Å; L32-R94 HydrophobicContact CD2-CG 3.9Å; L32-F95 HydrophobicContact CB-CD1 4.26Å; L32-F95 HydrophobicContact CB-CE1 3.75Å; L32-F95 HydrophobicContact CB-CZ 4.05Å; L32-F95 HydrophobicContact CD1-CD1 4.3Å; L32-F95 HydrophobicContact CD2-CE2 4.47Å; L32-F95 HydrophobicContact CD2-CZ 4.48Å; L32-F95 WeakPolarHBondContact O-CZ 3.3Å; L32-A98 HydrophobicContact CD1-CB 3.48Å; L32-A98 VanDerWaalsContact CD1-CB 3.48Å |
| 33 | S | 92.2 | Very high | 90.8 | Very high | 18 Ų | 18 | 35.4 Ų | 35.4 | 13% | 0.126 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.1 | -23.7 | 178.8 | 76.7 | 0 | 0 | 0 | 0 | 113.9 | L29 L30 R31 I36 | L29-S33 PolarHBondContact O-N 2.69Å; L30-S33 WeakPolarHBondContact O-CB 3.48Å; L30-S33 PolarHBondContact O-N 3.06Å; L30-S33 PolarHBondContact O-OG 2.99Å; R31-S33 VanDerWaalsContact C-N 3.25Å; R31-S33 PolarHBondContact O-N 3.37Å; S33-I36 WeakPolarHBondContact O-CD1 3.46Å |
| 34 | E | 88 | Confident | 90 | Very high | 119 Ų | 119 | 40 Ų | 40 | 56% | 0.556 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -19 | 176.2 | -55.8 | -166.3 | 150.2 | 0 | 0 | 113.6 | R31 L32 | R31-E34 PolarHBondContact O-N 3.39Å; L32-E34 PolarHBondContact O-N 3.05Å; L32-E34 VanDerWaalsContact O-N 3.09Å |
| 35 | F | 87.8 | Confident | 89.2 | Confident | 90 Ų | 90 | 48.3 Ų | 48.3 | 40% | 0.395 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | 17.7 | -175.7 | -64.1 | -83.6 | 0 | 0 | 0 | 113.5 | R31 L32 P37 I91 | R31-F35 HydrophobicContact CG-CE2 4.45Å; R31-F35 VanDerWaalsContact O-CD2 3.26Å; R31-F35 WeakPolarHBondContact O-CD2 3.4Å; L32-F35 PolarHBondContact O-N 3.24Å; F35-P37 WeakPolarHBondContact O-CD 3.45Å; F35-I91 HydrophobicContact CB-CD1 4.18Å |
| 36 | I | 89.1 | Confident | 88.3 | Confident | 16 Ų | 16 | 50.5 Ų | 50.5 | 8% | 0.082 | 25% | 0.252 | C | S | . | . | trans | -62.4 | 114.8 | 174.1 | -63.2 | 171.9 | 0 | 0 | 0 | 109.1 | S33 A38 R41 F95 I157 V161 M165 | S33-I36 WeakPolarHBondContact O-CD1 3.46Å; I36-A38 PolarHBondContact O-N 2.87Å; I36-R41 HydrophobicContact CG2-CG 4.41Å; I36-F95 HydrophobicContact CB-CZ 4.4Å; I36-F95 HydrophobicContact CG1-CE1 4.07Å; I36-F95 HydrophobicContact CG1-CZ 3.65Å; I36-I157 HydrophobicContact CD1-CB 4.42Å; I36-I157 HydrophobicContact CD1-CG1 4.29Å; I36-I157 HydrophobicContact CD1-CG2 4.01Å; I36-V161 HydrophobicContact CG2-CG1 3.72Å; I36-M165 HydrophobicContact CB-CE 4.4Å; I36-M165 HydrophobicContact CG2-CE 3.81Å | ||
| 37 | P | 86.6 | Confident | 87.7 | Confident | 26 Ų | 26 | 52.1 Ų | 52.1 | 17% | 0.169 | 26% | 0.26 | C | S | . | . | trans | -65.4 | 132 | -180 | -16.6 | 30.2 | 0 | 0 | 0 | 110.8 | F35 V39 F40 I91 M165 | F35-P37 WeakPolarHBondContact O-CD 3.45Å; P37-V39 HydrophobicContact CB-CG2 4.1Å; P37-V39 PolarHBondContact O-N 2.99Å; P37-V39 VanDerWaalsContact O-N 3.14Å; P37-F40 HydrophobicContact CB-CD2 3.92Å; P37-F40 HydrophobicContact CB-CE2 4.35Å; P37-F40 HydrophobicContact CG-CD2 3.98Å; P37-F40 HydrophobicContact CG-CE2 4.18Å; P37-F40 PolarHBondContact O-N 2.88Å; P37-F40 VanDerWaalsContact O-N 3.1Å; P37-I91 HydrophobicContact CG-CG1 4.25Å; P37-I91 HydrophobicContact CG-CG2 3.85Å; P37-M165 VanDerWaalsContact CD-CE 3.5Å | ||
| 38 | A | 84.2 | Confident | 87.1 | Confident | 63 Ų | 63 | 56.9 Ų | 56.9 | 52% | 0.521 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -57.8 | -32.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | I36 F40 R41 | I36-A38 PolarHBondContact O-N 2.87Å; A38-F40 PolarHBondContact O-N 3.41Å; A38-R41 WeakPolarHBondContact O-CB 3.37Å; A38-R41 PolarHBondContact O-N 2.96Å |
| 39 | V | 86.8 | Confident | 86.6 | Confident | 27 Ų | 27 | 61.8 Ų | 61.8 | 16% | 0.164 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -58.2 | -30 | 178.7 | -64.7 | 0 | 0 | 0 | 0 | 113.5 | P37 R41 L42 Y51 I55 F84 | P37-V39 HydrophobicContact CB-CG2 4.1Å; P37-V39 PolarHBondContact O-N 2.99Å; P37-V39 VanDerWaalsContact O-N 3.14Å; V39-R41 VanDerWaalsContact C-N 3.31Å; V39-R41 PolarHBondContact O-N 3.41Å; V39-L42 VanDerWaalsContact O-CD2 3.25Å; V39-L42 WeakPolarHBondContact O-CD2 3.42Å; V39-L42 WeakPolarHBondContact O-CG 3.35Å; V39-L42 PolarHBondContact O-N 3.01Å; V39-Y51 HydrophobicContact CB-CD2 4.39Å; V39-Y51 HydrophobicContact CG1-CD2 4.14Å; V39-Y51 HydrophobicContact CG1-CE2 3.81Å; V39-I55 WeakPolarHBondContact O-CD1 3.21Å; V39-F84 HydrophobicContact CB-CE2 4.21Å; V39-F84 HydrophobicContact CG2-CE2 3.76Å; V39-F84 HydrophobicContact CG2-CZ 4.03Å |
| 40 | F | 89.9 | Confident | 86 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -75.6 | -20.3 | 176.6 | -74.6 | -79.8 | 0 | 0 | 0 | 113.1 | P37 A38 I55 F84 N88 V92 V161 R164 M165 S168 | P37-F40 HydrophobicContact CB-CD2 3.92Å; P37-F40 HydrophobicContact CB-CE2 4.35Å; P37-F40 HydrophobicContact CG-CD2 3.98Å; P37-F40 HydrophobicContact CG-CE2 4.18Å; P37-F40 PolarHBondContact O-N 2.88Å; P37-F40 VanDerWaalsContact O-N 3.1Å; A38-F40 PolarHBondContact O-N 3.41Å; F40-I55 HydrophobicContact CD1-CG2 4.15Å; F40-I55 HydrophobicContact CE1-CG2 4.46Å; F40-F84 HydrophobicContact CE1-CE1 4.21Å; F40-F84 HydrophobicContact CE1-CZ 4.08Å; F40-F84 HydrophobicContact CE2-CE1 4.39Å; F40-F84 AromaticContact CE2-CZ 3.97Å; F40-F84 HydrophobicContact CE2-CZ 3.97Å; F40-F84 AromaticContact CZ-CE1 3.71Å; F40-F84 HydrophobicContact CZ-CE1 3.71Å; F40-F84 AromaticContact CZ-CZ 3.64Å; F40-F84 HydrophobicContact CZ-CZ 3.64Å; F40-N88 HydrophobicContact CE2-CB 4.37Å; F40-V92 HydrophobicContact CE2-CG2 3.88Å; F40-V92 HydrophobicContact CZ-CG2 3.56Å; F40-V161 HydrophobicContact CB-CG1 4.14Å; F40-R164 HydrophobicContact CD1-CB 3.97Å; F40-R164 VanDerWaalsContact O-CD 3.31Å; F40-R164 WeakPolarHBondContact O-CD 3.32Å; F40-R164 PolarHBondContact O-NH1 2.93Å; F40-M165 HydrophobicContact CB-CE 4.27Å; F40-M165 HydrophobicContact CD1-CG 3.96Å; F40-M165 HydrophobicContact CD2-CE 4.08Å; F40-M165 HydrophobicContact CD2-CG 4.39Å; F40-M165 HydrophobicContact CE1-CG 4.21Å; F40-M165 HydrophobicContact CG-CE 4.21Å; F40-M165 HydrophobicContact CG-CG 4.06Å; F40-S168 WeakPolarHBondContact CE1-OG 3.45Å |
| 41 | R | 87.7 | Confident | 85.7 | Confident | 98 Ų | 98 | 66.4 Ų | 66.4 | 37% | 0.37 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -75.4 | -27.9 | 175.4 | -59.6 | -178.5 | 174.9 | 162.6 | 0.2 | 111.8 | I36 A38 V39 K43 V161 R164 | I36-R41 HydrophobicContact CG2-CG 4.41Å; A38-R41 WeakPolarHBondContact O-CB 3.37Å; A38-R41 PolarHBondContact O-N 2.96Å; V39-R41 VanDerWaalsContact C-N 3.31Å; V39-R41 PolarHBondContact O-N 3.41Å; R41-K43 HydrophobicContact CB-CD 4.27Å; R41-K43 HydrophobicContact CB-CG 4.01Å; R41-K43 PolarHBondContact O-N 3.4Å; R41-V161 HydrophobicContact CG-CG2 4.06Å; R41-R164 PolarHBondContact O-NH1 3.31Å |
| 42 | L | 84.2 | Confident | 85.4 | Confident | 19 Ų | 19 | 65.8 Ų | 65.8 | 10% | 0.099 | 33% | 0.331 | C | S | . | . | trans | 48.5 | 39.6 | -177.6 | -65 | 176.5 | 0 | 0 | 0 | 112.9 | V39 D47 Q48 I55 | V39-L42 VanDerWaalsContact O-CD2 3.25Å; V39-L42 WeakPolarHBondContact O-CD2 3.42Å; V39-L42 WeakPolarHBondContact O-CG 3.35Å; V39-L42 PolarHBondContact O-N 3.01Å; L42-D47 HydrophobicContact CD2-CB 4.31Å; L42-Q48 HydrophobicContact CB-CG 4.1Å; L42-Q48 VanDerWaalsContact O-CG 3.32Å; L42-Q48 WeakPolarHBondContact O-CG 3.44Å; L42-Q48 PolarHBondContact O-NE2 2.68Å; L42-I55 HydrophobicContact CD1-CB 4.5Å; L42-I55 HydrophobicContact CD1-CG2 4.46Å; L42-I55 HydrophobicContact CD2-CD1 4.23Å | ||
| 43 | K | 79.6 | Confident | 85.2 | Confident | 119 Ų | 119 | 68.6 Ų | 68.6 | 52% | 0.517 | 35% | 0.346 | S | S | . | . | trans | -77.1 | -33.7 | -179.2 | -72 | -177.8 | -178.4 | -177.3 | 0 | 112.1 | R41 E158 | R41-K43 HydrophobicContact CB-CD 4.27Å; R41-K43 HydrophobicContact CB-CG 4.01Å; R41-K43 PolarHBondContact O-N 3.4Å; K43-E158 IonicContact NZ-OE1 3.64Å; K43-E158 PolarHBondContact NZ-OE1 3.04Å; K43-E158 IonicContact NZ-OE2 2.91Å | ||
| 44 | D | 79.6 | Confident | 85.1 | Confident | 105 Ų | 105 | 67.7 Ų | 67.7 | 56% | 0.561 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -87.2 | 139.1 | -177.8 | -65.7 | -38.3 | 0 | 0 | 0 | 112.1 | A46 D47 Q48 | D44-A46 PolarHBondContact O-N 2.98Å; D44-D47 HydrophobicContact CB-CB 4.44Å; D44-D47 PolarHBondContact O-N 3.22Å; D44-D47 VanDerWaalsContact O-N 3.14Å; D44-Q48 WeakPolarHBondContact O-CG 3.35Å; D44-Q48 PolarHBondContact O-N 3.35Å |
| 45 | R | 78.5 | Confident | 85.3 | Confident | 190 Ų | 190 | 62.4 Ų | 62.4 | 72% | 0.717 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -60.3 | -32 | 179.2 | -168.8 | 177.2 | -177.1 | 178.9 | 1.6 | 112.4 | Q49 | R45-Q49 WeakPolarHBondContact O-CB 3.39Å; R45-Q49 VanDerWaalsContact O-CG 3.28Å; R45-Q49 WeakPolarHBondContact O-CG 3.14Å; R45-Q49 PolarHBondContact O-N 3.35Å |
| 46 | A | 78.9 | Confident | 85.5 | Confident | 65 Ų | 65 | 58.6 Ų | 58.6 | 54% | 0.537 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -66.6 | -44.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | D44 Q49 K50 | D44-A46 PolarHBondContact O-N 2.98Å; A46-Q49 PolarHBondContact O-N 3.33Å; A46-K50 WeakPolarHBondContact O-CB 3.33Å; A46-K50 PolarHBondContact O-N 2.67Å |
| 47 | D | 82.8 | Confident | 85.6 | Confident | 34 Ų | 34 | 60.2 Ų | 60.2 | 18% | 0.182 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -67.7 | -38.7 | 177.7 | -76.1 | -12.2 | 0 | 0 | 0 | 111.7 | L42 D44 Q49 K50 Y51 | L42-D47 HydrophobicContact CD2-CB 4.31Å; D44-D47 HydrophobicContact CB-CB 4.44Å; D44-D47 PolarHBondContact O-N 3.22Å; D44-D47 VanDerWaalsContact O-N 3.14Å; D47-Q49 PolarHBondContact O-N 3.21Å; D47-K50 PolarHBondContact O-N 3.32Å; D47-Y51 HydrophobicContact CB-CD2 4.26Å; D47-Y51 PolarHBondContact O-N 3.45Å |
| 48 | Q | 83.8 | Confident | 85.9 | Confident | 101 Ų | 101 | 59.9 Ų | 59.9 | 47% | 0.472 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.4 | -44.4 | 173.5 | -70.9 | 175.8 | 2.6 | 0 | 0 | 112 | L42 D44 K50 G52 | L42-Q48 HydrophobicContact CB-CG 4.1Å; L42-Q48 VanDerWaalsContact O-CG 3.32Å; L42-Q48 WeakPolarHBondContact O-CG 3.44Å; L42-Q48 PolarHBondContact O-NE2 2.68Å; D44-Q48 WeakPolarHBondContact O-CG 3.35Å; D44-Q48 PolarHBondContact O-N 3.35Å; Q48-K50 VanDerWaalsContact C-N 3.34Å; Q48-G52 VanDerWaalsContact O-CA 3.32Å; Q48-G52 WeakPolarHBondContact O-CA 3.41Å; Q48-G52 PolarHBondContact O-N 3.38Å |
| 49 | Q | 84.3 | Confident | 86.2 | Confident | 144 Ų | 144 | 59.1 Ų | 59.1 | 67% | 0.673 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -67.9 | -35 | 178.5 | -76.2 | 176.6 | -11.3 | 0 | 0 | 112.6 | R45 A46 D47 | R45-Q49 WeakPolarHBondContact O-CB 3.39Å; R45-Q49 VanDerWaalsContact O-CG 3.28Å; R45-Q49 WeakPolarHBondContact O-CG 3.14Å; R45-Q49 PolarHBondContact O-N 3.35Å; A46-Q49 PolarHBondContact O-N 3.33Å; D47-Q49 PolarHBondContact O-N 3.21Å |
| 50 | K | 83.4 | Confident | 86.3 | Confident | 88 Ų | 88 | 58.4 Ų | 58.4 | 38% | 0.383 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -83.9 | -50.5 | -176.2 | -170.8 | 176.2 | 178.5 | -164.8 | 0 | 112.6 | A46 D47 Q48 L80 | A46-K50 WeakPolarHBondContact O-CB 3.33Å; A46-K50 PolarHBondContact O-N 2.67Å; D47-K50 PolarHBondContact O-N 3.32Å; Q48-K50 VanDerWaalsContact C-N 3.34Å; K50-L80 HydrophobicContact CG-CD2 4.38Å; K50-L80 VanDerWaalsContact O-CD2 3.23Å; K50-L80 WeakPolarHBondContact O-CD2 3.39Å |
| 51 | Y | 88.9 | Confident | 86.2 | Confident | 28 Ų | 28 | 61.8 Ų | 61.8 | 11% | 0.11 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -107.8 | -6.6 | -169.9 | -53.5 | -65 | 0 | 0 | 0 | 114 | V39 D47 D53 I54 I55 L80 F84 | V39-Y51 HydrophobicContact CB-CD2 4.39Å; V39-Y51 HydrophobicContact CG1-CD2 4.14Å; V39-Y51 HydrophobicContact CG1-CE2 3.81Å; D47-Y51 HydrophobicContact CB-CD2 4.26Å; D47-Y51 PolarHBondContact O-N 3.45Å; Y51-D53 PolarHBondContact O-N 2.94Å; Y51-D53 VanDerWaalsContact O-N 3.15Å; Y51-I54 HydrophobicContact CD1-CD1 3.9Å; Y51-I54 VanDerWaalsContact O-CG1 3.3Å; Y51-I54 WeakPolarHBondContact O-CG1 3.46Å; Y51-I54 PolarHBondContact O-N 3.03Å; Y51-I55 PolarHBondContact O-N 3.21Å; Y51-L80 HydrophobicContact CD1-CD1 4.46Å; Y51-L80 HydrophobicContact CE1-CD1 4.08Å; Y51-F84 AromaticContact CD1-CD2 3.85Å; Y51-F84 HydrophobicContact CD1-CD2 3.85Å; Y51-F84 HydrophobicContact CD1-CE2 4.31Å; Y51-F84 HydrophobicContact CE1-CD2 4.04Å; Y51-F84 HydrophobicContact CG-CD2 4.47Å; Y51-F84 HydrophobicContact CG-CE2 4.5Å |
| 52 | G | 86 | Confident | 86.2 | Confident | 31 Ų | 31 | 66.2 Ų | 66.2 | 32% | 0.32 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -22.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q48 | Q48-G52 VanDerWaalsContact O-CA 3.32Å; Q48-G52 WeakPolarHBondContact O-CA 3.41Å; Q48-G52 PolarHBondContact O-N 3.38Å |
| 53 | D | 87.3 | Confident | 86.3 | Confident | 59 Ų | 59 | 66.6 Ų | 66.6 | 32% | 0.316 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | -6.2 | 176.7 | -84.6 | -26.4 | 0 | 0 | 0 | 114 | Y51 F56 K70 L77 | Y51-D53 PolarHBondContact O-N 2.94Å; Y51-D53 VanDerWaalsContact O-N 3.15Å; D53-F56 VanDerWaalsContact O-CE1 3.27Å; D53-F56 WeakPolarHBondContact O-CE1 3.24Å; D53-F56 WeakPolarHBondContact O-CZ 3.2Å; D53-K70 IonicContact OD1-NZ 2.69Å; D53-K70 PolarHBondContact OD1-NZ 2.88Å; D53-L77 HydrophobicContact CB-CD1 4.3Å; D53-L77 HydrophobicContact CB-CD2 4.17Å |
| 54 | I | 90.7 | Very high | 86.6 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.5 | -23.9 | -178.5 | 70.3 | 172.3 | 0 | 0 | 0 | 113.6 | Y51 F56 L71 L77 L80 D81 F84 R171 | Y51-I54 HydrophobicContact CD1-CD1 3.9Å; Y51-I54 VanDerWaalsContact O-CG1 3.3Å; Y51-I54 WeakPolarHBondContact O-CG1 3.46Å; Y51-I54 PolarHBondContact O-N 3.03Å; I54-F56 WeakPolarHBondContact O-CD2 3.42Å; I54-F56 WeakPolarHBondContact O-CE2 3.4Å; I54-L71 HydrophobicContact CG2-CD2 3.83Å; I54-L77 HydrophobicContact CG2-CD2 4.5Å; I54-L80 HydrophobicContact CD1-CD2 4.36Å; I54-L80 HydrophobicContact CD1-CG 4.08Å; I54-D81 HydrophobicContact CG2-CB 4.24Å; I54-F84 HydrophobicContact CD1-CB 3.64Å; I54-F84 HydrophobicContact CD1-CD2 3.99Å; I54-F84 HydrophobicContact CD1-CG 3.8Å; I54-R171 PolarHBondContact O-NH1 2.98Å; I54-R171 VanDerWaalsContact O-NH1 3.1Å |
| 55 | I | 91.9 | Very high | 86.9 | Confident | 8 Ų | 8 | 66.3 Ų | 66.3 | 4% | 0.041 | 34% | 0.335 | C | S | . | . | trans | -94.9 | 111.7 | 177.1 | -57.5 | -179.9 | 0 | 0 | 0 | 108.8 | V39 F40 L42 Y51 F84 R164 | V39-I55 WeakPolarHBondContact O-CD1 3.21Å; F40-I55 HydrophobicContact CD1-CG2 4.15Å; F40-I55 HydrophobicContact CE1-CG2 4.46Å; L42-I55 HydrophobicContact CD1-CB 4.5Å; L42-I55 HydrophobicContact CD1-CG2 4.46Å; L42-I55 HydrophobicContact CD2-CD1 4.23Å; Y51-I55 PolarHBondContact O-N 3.21Å; I55-F84 HydrophobicContact CD1-CE1 4.47Å; I55-F84 HydrophobicContact CD1-CE2 3.63Å; I55-F84 HydrophobicContact CD1-CZ 3.52Å; I55-F84 HydrophobicContact CG1-CE1 4.3Å; I55-F84 HydrophobicContact CG1-CE2 4.11Å; I55-F84 HydrophobicContact CG1-CZ 3.81Å; I55-R164 HydrophobicContact CG2-CB 3.8Å; I55-R164 HydrophobicContact CG2-CG 3.81Å | ||
| 56 | F | 91.8 | Very high | 87.4 | Confident | 9 Ų | 9 | 63.7 Ų | 63.7 | 4% | 0.039 | 33% | 0.334 | C | S | . | . | trans | -114 | 148.8 | -177.5 | -46.7 | -63.7 | 0 | 0 | 0 | 111.5 | D53 I54 Y60 W67 L71 R164 V167 | D53-F56 VanDerWaalsContact O-CE1 3.27Å; D53-F56 WeakPolarHBondContact O-CE1 3.24Å; D53-F56 WeakPolarHBondContact O-CZ 3.2Å; I54-F56 WeakPolarHBondContact O-CD2 3.42Å; I54-F56 WeakPolarHBondContact O-CE2 3.4Å; F56-Y60 HydrophobicContact CB-CD2 4.31Å; F56-Y60 HydrophobicContact CB-CG 4.43Å; F56-Y60 AromaticContact CD2-CD2 3.76Å; F56-Y60 HydrophobicContact CD2-CD2 3.76Å; F56-Y60 HydrophobicContact CD2-CE2 4.26Å; F56-Y60 HydrophobicContact CE2-CD2 4.38Å; F56-Y60 HydrophobicContact CG-CD2 4.19Å; F56-W67 HydrophobicContact CD1-CD2 4.16Å; F56-W67 AromaticContact CD1-CE3 3.75Å; F56-W67 HydrophobicContact CD1-CE3 3.75Å; F56-W67 AromaticContact CD1-CZ3 4Å; F56-W67 HydrophobicContact CD1-CZ3 4Å; F56-W67 HydrophobicContact CE1-CD2 4.05Å; F56-W67 AromaticContact CE1-CE3 3.32Å; F56-W67 HydrophobicContact CE1-CE3 3.32Å; F56-W67 AromaticContact CE1-CZ3 3.73Å; F56-W67 HydrophobicContact CE1-CZ3 3.73Å; F56-W67 HydrophobicContact CE2-CB 4.43Å; F56-W67 HydrophobicContact CZ-CB 4.32Å; F56-W67 AromaticContact CZ-CE3 3.98Å; F56-W67 HydrophobicContact CZ-CE3 3.98Å; F56-L71 HydrophobicContact CE2-CD1 4.12Å; F56-L71 HydrophobicContact CZ-CD1 4.22Å; F56-R164 VanDerWaalsContact O-CA 3.29Å; F56-R164 WeakPolarHBondContact O-CA 3.43Å; F56-V167 HydrophobicContact CB-CG1 4.02Å; F56-V167 WeakPolarHBondContact O-CB 3.46Å | ||
| 57 | D | 91.6 | Very high | 87.6 | Confident | 51 Ų | 51 | 64.2 Ų | 64.2 | 27% | 0.273 | 32% | 0.323 | S | S | . | . | trans | -92.3 | -167.6 | 169.1 | 64.3 | 22.6 | 0 | 0 | 0 | 111 | S59 Y60 E163 R164 V167 | D57-S59 PolarHBondContact O-N 3.22Å; D57-S59 WeakPolarHBondContact OD1-CB 3.25Å; D57-S59 PolarHBondContact OD1-N 3.22Å; D57-S59 PolarHBondContact OD1-OG 3.42Å; D57-Y60 VanDerWaalsContact O-CB 3.29Å; D57-Y60 WeakPolarHBondContact O-CB 3.37Å; D57-Y60 PolarHBondContact O-N 2.85Å; D57-E163 HydrophobicContact CB-CB 4.22Å; D57-R164 HydrophobicContact CB-CG 4.22Å; D57-V167 WeakPolarHBondContact O-CG2 3.4Å | ||
| 58 | F | 92.9 | Very high | 87.9 | Confident | 19 Ų | 19 | 65.1 Ų | 65.1 | 8% | 0.083 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -61.8 | -9.3 | -179.1 | -75.7 | 0.9 | 0 | 0 | 0 | 114.9 | Y60 F61 E163 L166 V167 C187 R191 | F58-Y60 PolarHBondContact O-N 3.12Å; F58-F61 HydrophobicContact CB-CD2 4.39Å; F58-F61 HydrophobicContact CD1-CD2 4.17Å; F58-F61 AromaticContact CD1-CE2 3.75Å; F58-F61 HydrophobicContact CD1-CE2 3.75Å; F58-F61 HydrophobicContact CE1-CE2 4.08Å; F58-F61 HydrophobicContact CG-CD2 4.4Å; F58-F61 HydrophobicContact CG-CE2 4.4Å; F58-F61 PolarHBondContact O-N 3.38Å; F58-E163 HydrophobicContact CB-CG 4.46Å; F58-E163 HydrophobicContact CD1-CB 3.59Å; F58-E163 HydrophobicContact CD1-CG 3.76Å; F58-E163 HydrophobicContact CD2-CB 4.39Å; F58-E163 VanDerWaalsContact CD2-CD 3.49Å; F58-E163 HydrophobicContact CD2-CG 3.64Å; F58-E163 WeakPolarHBondContact CD2-OE1 3.3Å; F58-E163 HydrophobicContact CE1-CB 3.81Å; F58-E163 HydrophobicContact CE1-CG 3.85Å; F58-E163 HydrophobicContact CE2-CG 3.73Å; F58-E163 HydrophobicContact CG-CB 3.92Å; F58-E163 HydrophobicContact CG-CG 3.67Å; F58-E163 HydrophobicContact CZ-CB 4.29Å; F58-E163 HydrophobicContact CZ-CG 3.83Å; F58-L166 HydrophobicContact CE1-CB 3.97Å; F58-L166 HydrophobicContact CE1-CD1 4.08Å; F58-L166 HydrophobicContact CZ-CB 4.5Å; F58-L166 HydrophobicContact CZ-CD1 3.77Å; F58-V167 HydrophobicContact CD1-CG2 3.74Å; F58-V167 HydrophobicContact CE1-CG2 4.23Å; F58-C187 HydrophobicContact CE1-CB 4.45Å; F58-C187 HydrophobicContact CE2-CB 4.16Å; F58-C187 WeakPolarHBondContact CE2-O 3.18Å; F58-C187 HydrophobicContact CZ-CB 3.79Å; F58-R191 HydrophobicContact CD2-CB 4.32Å; F58-R191 HydrophobicContact CD2-CG 4.16Å; F58-R191 HydrophobicContact CE2-CB 3.94Å; F58-R191 HydrophobicContact CE2-CG 4.29Å |
| 59 | S | 89.8 | Confident | 88 | Confident | 46 Ų | 46 | 63.4 Ų | 63.4 | 32% | 0.322 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -61.8 | -23.3 | 168.6 | 68.4 | 0 | 0 | 0 | 0 | 113 | D57 F61 K62 | D57-S59 PolarHBondContact O-N 3.22Å; D57-S59 WeakPolarHBondContact OD1-CB 3.25Å; D57-S59 PolarHBondContact OD1-N 3.22Å; D57-S59 PolarHBondContact OD1-OG 3.42Å; S59-F61 VanDerWaalsContact C-N 3.29Å; S59-F61 PolarHBondContact O-N 2.84Å; S59-K62 WeakPolarHBondContact O-CB 3.46Å; S59-K62 PolarHBondContact O-N 3.07Å; S59-K62 VanDerWaalsContact O-N 3.12Å |
| 60 | Y | 89.4 | Confident | 88.1 | Confident | 12 Ų | 12 | 60 Ų | 60 | 5% | 0.047 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -52.6 | -45.9 | 173.8 | 175.8 | -98.4 | 0 | 0 | 0 | 112.3 | F56 D57 F58 K62 G63 P64 W67 E68 V167 Y170 R171 | F56-Y60 HydrophobicContact CB-CD2 4.31Å; F56-Y60 HydrophobicContact CB-CG 4.43Å; F56-Y60 AromaticContact CD2-CD2 3.76Å; F56-Y60 HydrophobicContact CD2-CD2 3.76Å; F56-Y60 HydrophobicContact CD2-CE2 4.26Å; F56-Y60 HydrophobicContact CE2-CD2 4.38Å; F56-Y60 HydrophobicContact CG-CD2 4.19Å; D57-Y60 VanDerWaalsContact O-CB 3.29Å; D57-Y60 WeakPolarHBondContact O-CB 3.37Å; D57-Y60 PolarHBondContact O-N 2.85Å; F58-Y60 PolarHBondContact O-N 3.12Å; Y60-K62 PolarHBondContact O-N 3.03Å; Y60-G63 CarbonylContact O-C 3.55Å; Y60-G63 PolarHBondContact O-N 2.91Å; Y60-G63 VanDerWaalsContact O-N 3.11Å; Y60-P64 HydrophobicContact CE1-CB 4.06Å; Y60-P64 HydrophobicContact CE1-CG 4.33Å; Y60-P64 HydrophobicContact CE2-CB 4.41Å; Y60-P64 WeakPolarHBondContact O-CD 3.46Å; Y60-W67 HydrophobicContact CD2-CB 3.93Å; Y60-W67 AromaticContact CD2-CD1 3.9Å; Y60-W67 HydrophobicContact CD2-CG 4.04Å; Y60-W67 HydrophobicContact CE2-CB 3.98Å; Y60-E68 HydrophobicContact CE2-CG 4.48Å; Y60-E68 VanDerWaalsContact CE2-OE1 3.25Å; Y60-E68 WeakPolarHBondContact CE2-OE1 3.49Å; Y60-E68 VanDerWaalsContact CZ-OE1 3.32Å; Y60-E68 PolarHBondContact OH-OE1 3.08Å; Y60-V167 HydrophobicContact CD1-CG1 3.86Å; Y60-V167 HydrophobicContact CD2-CG1 4.46Å; Y60-V167 HydrophobicContact CG-CG1 3.78Å; Y60-Y170 HydrophobicContact CE1-CD1 4.06Å; Y60-Y170 HydrophobicContact CE1-CE1 4.08Å; Y60-R171 HydrophobicContact CE1-CG 4Å; Y60-R171 HydrophobicContact CE2-CG 4.09Å |
| 61 | F | 87.3 | Confident | 88.2 | Confident | 72 Ų | 72 | 56.1 Ų | 56.1 | 32% | 0.316 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -65.8 | -13.1 | -177.2 | -61.6 | -59.2 | 0 | 0 | 0 | 114.1 | F58 S59 V167 Y170 | F58-F61 HydrophobicContact CB-CD2 4.39Å; F58-F61 HydrophobicContact CD1-CD2 4.17Å; F58-F61 AromaticContact CD1-CE2 3.75Å; F58-F61 HydrophobicContact CD1-CE2 3.75Å; F58-F61 HydrophobicContact CE1-CE2 4.08Å; F58-F61 HydrophobicContact CG-CD2 4.4Å; F58-F61 HydrophobicContact CG-CE2 4.4Å; F58-F61 PolarHBondContact O-N 3.38Å; S59-F61 VanDerWaalsContact C-N 3.29Å; S59-F61 PolarHBondContact O-N 2.84Å; F61-V167 HydrophobicContact CD2-CG2 4.37Å; F61-V167 HydrophobicContact CE2-CG2 3.64Å; F61-V167 HydrophobicContact CZ-CG2 3.92Å; F61-Y170 AromaticContact CE1-CD1 3.73Å; F61-Y170 HydrophobicContact CE1-CD1 3.73Å; F61-Y170 HydrophobicContact CE1-CD2 4.26Å; F61-Y170 AromaticContact CE1-CE1 3.94Å; F61-Y170 HydrophobicContact CE1-CE1 3.94Å; F61-Y170 HydrophobicContact CE1-CE2 4.44Å; F61-Y170 AromaticContact CE1-CG 3.91Å; F61-Y170 HydrophobicContact CE1-CG 3.91Å; F61-Y170 HydrophobicContact CZ-CD1 4.42Å; F61-Y170 HydrophobicContact CZ-CG 4.26Å |
| 62 | K | 87.6 | Confident | 88.1 | Confident | 191 Ų | 191 | 59.5 Ų | 59.5 | 83% | 0.83 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -78.9 | -19 | 175.9 | -63.4 | -178.3 | 179.4 | 176.1 | 0 | 113.5 | S59 Y60 | S59-K62 WeakPolarHBondContact O-CB 3.46Å; S59-K62 PolarHBondContact O-N 3.07Å; S59-K62 VanDerWaalsContact O-N 3.12Å; Y60-K62 PolarHBondContact O-N 3.03Å |
| 63 | G | 85.7 | Confident | 88.1 | Confident | 26 Ų | 26 | 62.7 Ų | 62.7 | 27% | 0.268 | 33% | 0.328 | S | S | . | . | trans | -166.6 | 67.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y60 E65 L66 | Y60-G63 CarbonylContact O-C 3.55Å; Y60-G63 PolarHBondContact O-N 2.91Å; Y60-G63 VanDerWaalsContact O-N 3.11Å; G63-E65 VanDerWaalsContact C-N 3.31Å; G63-E65 PolarHBondContact O-N 2.93Å; G63-L66 PolarHBondContact O-N 3.12Å | ||
| 64 | P | 86.3 | Confident | 88.2 | Confident | 47 Ų | 47 | 64.9 Ų | 64.9 | 31% | 0.305 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -56.5 | -42.3 | -175.3 | -25.7 | 35.2 | 0 | 0 | 0 | 113.2 | Y60 L66 W67 E68 | Y60-P64 HydrophobicContact CE1-CB 4.06Å; Y60-P64 HydrophobicContact CE1-CG 4.33Å; Y60-P64 HydrophobicContact CE2-CB 4.41Å; Y60-P64 WeakPolarHBondContact O-CD 3.46Å; P64-L66 PolarHBondContact O-N 3.05Å; P64-W67 PolarHBondContact O-N 3.46Å; P64-W67 VanDerWaalsContact O-N 3.15Å; P64-E68 WeakPolarHBondContact O-CG 3.3Å; P64-E68 PolarHBondContact O-N 3.5Å |
| 65 | E | 86.9 | Confident | 87.9 | Confident | 171 Ų | 171 | 69.5 Ų | 69.5 | 80% | 0.799 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -57.4 | -35 | -178.8 | -63.1 | 178.5 | -179.5 | 0 | 0 | 113 | G63 S69 | G63-E65 VanDerWaalsContact C-N 3.31Å; G63-E65 PolarHBondContact O-N 2.93Å; E65-S69 WeakPolarHBondContact O-CB 3.3Å; E65-S69 PolarHBondContact O-N 3.4Å |
| 66 | L | 87.2 | Confident | 87.6 | Confident | 135 Ų | 135 | 77.2 Ų | 77.2 | 71% | 0.707 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -71.7 | -39.5 | -177.8 | -149.5 | 158 | 0 | 0 | 0 | 110.8 | G63 P64 K70 | G63-L66 PolarHBondContact O-N 3.12Å; P64-L66 PolarHBondContact O-N 3.05Å; L66-K70 PolarHBondContact O-N 2.94Å |
| 67 | W | 84.8 | Confident | 87.3 | Confident | 76 Ų | 76 | 77.7 Ų | 77.7 | 29% | 0.288 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -71.4 | -46.7 | 176.9 | -64.6 | 108.7 | 0 | 0 | 0 | 111.7 | F56 Y60 P64 S69 K70 L71 | F56-W67 HydrophobicContact CD1-CD2 4.16Å; F56-W67 AromaticContact CD1-CE3 3.75Å; F56-W67 HydrophobicContact CD1-CE3 3.75Å; F56-W67 AromaticContact CD1-CZ3 4Å; F56-W67 HydrophobicContact CD1-CZ3 4Å; F56-W67 HydrophobicContact CE1-CD2 4.05Å; F56-W67 AromaticContact CE1-CE3 3.32Å; F56-W67 HydrophobicContact CE1-CE3 3.32Å; F56-W67 AromaticContact CE1-CZ3 3.73Å; F56-W67 HydrophobicContact CE1-CZ3 3.73Å; F56-W67 HydrophobicContact CE2-CB 4.43Å; F56-W67 HydrophobicContact CZ-CB 4.32Å; F56-W67 AromaticContact CZ-CE3 3.98Å; F56-W67 HydrophobicContact CZ-CE3 3.98Å; Y60-W67 HydrophobicContact CD2-CB 3.93Å; Y60-W67 AromaticContact CD2-CD1 3.9Å; Y60-W67 HydrophobicContact CD2-CG 4.04Å; Y60-W67 HydrophobicContact CE2-CB 3.98Å; P64-W67 PolarHBondContact O-N 3.46Å; P64-W67 VanDerWaalsContact O-N 3.15Å; W67-S69 PolarHBondContact O-N 3.31Å; W67-K70 WeakPolarHBondContact O-CB 3.45Å; W67-K70 PolarHBondContact O-N 3.26Å; W67-L71 PolarHBondContact O-N 3.15Å |
| 68 | E | 87.8 | Confident | 87.1 | Confident | 53 Ų | 53 | 79.2 Ų | 79.2 | 25% | 0.248 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -65 | -40.5 | 178.2 | -61.3 | -55.2 | 151.9 | 0 | 0 | 111.3 | Y60 P64 K70 L71 D72 R171 | Y60-E68 HydrophobicContact CE2-CG 4.48Å; Y60-E68 VanDerWaalsContact CE2-OE1 3.25Å; Y60-E68 WeakPolarHBondContact CE2-OE1 3.49Å; Y60-E68 VanDerWaalsContact CZ-OE1 3.32Å; Y60-E68 PolarHBondContact OH-OE1 3.08Å; P64-E68 WeakPolarHBondContact O-CG 3.3Å; P64-E68 PolarHBondContact O-N 3.5Å; E68-K70 VanDerWaalsContact C-N 3.3Å; E68-K70 PolarHBondContact O-N 3.32Å; E68-L71 WeakPolarHBondContact O-CB 3.45Å; E68-L71 PolarHBondContact O-N 3.17Å; E68-L71 VanDerWaalsContact O-N 3.1Å; E68-D72 PolarHBondContact O-N 3.38Å; E68-R171 IonicContact OE1-CZ 3.85Å; E68-R171 IonicContact OE1-NE 2.85Å; E68-R171 PolarHBondContact OE1-NE 3.36Å; E68-R171 IonicContact OE1-NH2 3.34Å; E68-R171 IonicContact OE2-NH2 2.85Å; E68-R171 PolarHBondContact OE2-NH2 2.84Å |
| 69 | S | 86.4 | Confident | 86.7 | Confident | 65 Ų | 65 | 82.3 Ų | 82.3 | 46% | 0.455 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -60.2 | -37.8 | 174.7 | -178.7 | 0 | 0 | 0 | 0 | 112.7 | E65 W67 L71 D72 C73 | E65-S69 WeakPolarHBondContact O-CB 3.3Å; E65-S69 PolarHBondContact O-N 3.4Å; W67-S69 PolarHBondContact O-N 3.31Å; S69-L71 VanDerWaalsContact C-N 3.33Å; S69-L71 PolarHBondContact O-N 2.95Å; S69-D72 PolarHBondContact O-N 3.39Å; S69-C73 WeakPolarHBondContact O-CB 3.42Å; S69-C73 PolarHBondContact O-N 3.18Å; S69-C73 PolarHBondContact O-SG 3.29Å |
| 70 | K | 86.4 | Confident | 86.6 | Confident | 74 Ų | 74 | 81.3 Ų | 81.3 | 32% | 0.322 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64.6 | -37.4 | 176.2 | -176.2 | -177.1 | 170.6 | -166.1 | 0 | 111.9 | D53 L66 W67 E68 | D53-K70 IonicContact OD1-NZ 2.69Å; D53-K70 PolarHBondContact OD1-NZ 2.88Å; L66-K70 PolarHBondContact O-N 2.94Å; W67-K70 WeakPolarHBondContact O-CB 3.45Å; W67-K70 PolarHBondContact O-N 3.26Å; E68-K70 VanDerWaalsContact C-N 3.3Å; E68-K70 PolarHBondContact O-N 3.32Å |
| 71 | L | 85.9 | Confident | 86.6 | Confident | 5 Ų | 5 | 81.8 Ų | 81.8 | 3% | 0.026 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -68.5 | -46.9 | 174.6 | -65.6 | 172.7 | 0 | 0 | 0 | 110.4 | I54 F56 W67 E68 S69 C73 K74 L77 Q78 | I54-L71 HydrophobicContact CG2-CD2 3.83Å; F56-L71 HydrophobicContact CE2-CD1 4.12Å; F56-L71 HydrophobicContact CZ-CD1 4.22Å; W67-L71 PolarHBondContact O-N 3.15Å; E68-L71 WeakPolarHBondContact O-CB 3.45Å; E68-L71 PolarHBondContact O-N 3.17Å; E68-L71 VanDerWaalsContact O-N 3.1Å; S69-L71 VanDerWaalsContact C-N 3.33Å; S69-L71 PolarHBondContact O-N 2.95Å; L71-C73 VanDerWaalsContact C-N 3.27Å; L71-C73 PolarHBondContact O-N 3.37Å; L71-K74 PolarHBondContact O-N 3.22Å; L71-K74 VanDerWaalsContact O-N 3.08Å; L71-K74 VanDerWaalsContact O-O 3.12Å; L71-L77 HydrophobicContact CD2-CB 4.01Å; L71-L77 HydrophobicContact CD2-CD1 4.25Å; L71-Q78 WeakPolarHBondContact O-CG 3.47Å |
| 72 | D | 86 | Confident | 86.7 | Confident | 100 Ų | 100 | 82.7 Ų | 82.7 | 54% | 0.535 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -64.7 | -28.5 | -177.7 | -74.4 | -23.2 | 0 | 0 | 0 | 114.3 | E68 S69 K74 Q78 | E68-D72 PolarHBondContact O-N 3.38Å; S69-D72 PolarHBondContact O-N 3.39Å; D72-K74 PolarHBondContact O-N 2.93Å; D72-Q78 PolarHBondContact OD1-NE2 3.29Å |
| 73 | C | 87.2 | Confident | 86.7 | Confident | 98 Ų | 98 | 75.4 Ų | 75.4 | 66% | 0.662 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -16 | 176.9 | -72.1 | 0 | 0 | 0 | 0 | 113.5 | S69 L71 | S69-C73 WeakPolarHBondContact O-CB 3.42Å; S69-C73 PolarHBondContact O-N 3.18Å; S69-C73 PolarHBondContact O-SG 3.29Å; L71-C73 VanDerWaalsContact C-N 3.27Å; L71-C73 PolarHBondContact O-N 3.37Å |
| 74 | K | 87.8 | Confident | 86.9 | Confident | 104 Ų | 104 | 74.5 Ų | 74.5 | 45% | 0.452 | 38% | 0.383 | S | S | . | . | trans | -127.4 | 105.3 | -174.7 | -68 | -173.4 | -176.4 | 179 | 0 | 111.2 | L71 D72 E76 L77 Q78 | L71-K74 PolarHBondContact O-N 3.22Å; L71-K74 VanDerWaalsContact O-N 3.08Å; L71-K74 VanDerWaalsContact O-O 3.12Å; D72-K74 PolarHBondContact O-N 2.93Å; K74-E76 PolarHBondContact O-N 3.34Å; K74-E76 VanDerWaalsContact O-N 3.11Å; K74-L77 HydrophobicContact CB-CB 4.11Å; K74-L77 HydrophobicContact CB-CD1 4.08Å; K74-L77 HydrophobicContact CB-CG 3.98Å; K74-L77 HydrophobicContact CD-CD1 3.72Å; K74-L77 HydrophobicContact CD-CG 4.12Å; K74-L77 HydrophobicContact CG-CD1 4.44Å; K74-L77 PolarHBondContact O-N 2.97Å; K74-Q78 PolarHBondContact O-N 2.95Å | ||
| 75 | P | 85 | Confident | 87 | Confident | 97 Ų | 97 | 77.2 Ų | 77.2 | 63% | 0.63 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -55.7 | -32 | 177.5 | -26.8 | 34.4 | 0 | 0 | 0 | 114.2 | L77 Q78 D79 | P75-L77 VanDerWaalsContact C-N 3.34Å; P75-Q78 PolarHBondContact O-N 2.48Å; P75-D79 PolarHBondContact O-N 2.72Å; P75-D79 VanDerWaalsContact O-N 3.13Å |
| 76 | E | 84.9 | Confident | 87.1 | Confident | 170 Ų | 170 | 72.4 Ų | 72.4 | 79% | 0.794 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -65.8 | -34.4 | 176.6 | -64.1 | 175.1 | -179.7 | 0 | 0 | 112.7 | K74 L80 | K74-E76 PolarHBondContact O-N 3.34Å; K74-E76 VanDerWaalsContact O-N 3.11Å; E76-L80 WeakPolarHBondContact O-CB 3.41Å; E76-L80 PolarHBondContact O-N 3.07Å |
| 77 | L | 86.8 | Confident | 87.1 | Confident | 20 Ų | 20 | 67.1 Ų | 67.1 | 11% | 0.105 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -77.8 | -34.8 | 176.9 | -69.7 | -176.2 | 0 | 0 | 0 | 111.6 | D53 I54 L71 K74 P75 L80 D81 | D53-L77 HydrophobicContact CB-CD1 4.3Å; D53-L77 HydrophobicContact CB-CD2 4.17Å; I54-L77 HydrophobicContact CG2-CD2 4.5Å; L71-L77 HydrophobicContact CD2-CB 4.01Å; L71-L77 HydrophobicContact CD2-CD1 4.25Å; K74-L77 HydrophobicContact CB-CB 4.11Å; K74-L77 HydrophobicContact CB-CD1 4.08Å; K74-L77 HydrophobicContact CB-CG 3.98Å; K74-L77 HydrophobicContact CD-CD1 3.72Å; K74-L77 HydrophobicContact CD-CG 4.12Å; K74-L77 HydrophobicContact CG-CD1 4.44Å; K74-L77 PolarHBondContact O-N 2.97Å; P75-L77 VanDerWaalsContact C-N 3.34Å; L77-L80 PolarHBondContact O-N 3.01Å; L77-D81 WeakPolarHBondContact O-CB 3.45Å; L77-D81 PolarHBondContact O-N 2.87Å |
| 78 | Q | 86.3 | Confident | 87.4 | Confident | 83 Ų | 83 | 64.5 Ų | 64.5 | 39% | 0.388 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.3 | -48 | 175.2 | -69.8 | -177.6 | -36.6 | 0 | 0 | 111.7 | L71 D72 K74 P75 L80 D81 E82 | L71-Q78 WeakPolarHBondContact O-CG 3.47Å; D72-Q78 PolarHBondContact OD1-NE2 3.29Å; K74-Q78 PolarHBondContact O-N 2.95Å; P75-Q78 PolarHBondContact O-N 2.48Å; Q78-L80 VanDerWaalsContact C-N 3.29Å; Q78-L80 PolarHBondContact O-N 3.34Å; Q78-D81 PolarHBondContact O-N 2.7Å; Q78-E82 WeakPolarHBondContact O-CB 3.26Å; Q78-E82 PolarHBondContact O-N 2.81Å |
| 79 | D | 85.2 | Confident | 87.4 | Confident | 83 Ų | 83 | 64.2 Ų | 64.2 | 44% | 0.444 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.6 | -38 | 177.9 | -168.7 | 52.7 | 0 | 0 | 0 | 111.1 | P75 E82 E83 R791 | P75-D79 PolarHBondContact O-N 2.72Å; P75-D79 VanDerWaalsContact O-N 3.13Å; D79-E82 PolarHBondContact O-N 3.44Å; D79-E83 WeakPolarHBondContact O-CB 3.46Å; D79-E83 PolarHBondContact O-N 2.98Å; D79-R791 IonicContact OD1-NH1 2.71Å; D79-R791 PolarHBondContact OD1-NH1 3.33Å; D79-R791 VanDerWaalsContact OD1-NH1 3.15Å |
| 80 | L | 87.8 | Confident | 87.6 | Confident | 25 Ų | 25 | 67 Ų | 67 | 13% | 0.131 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -67.6 | -39.9 | 175.7 | -174.6 | 67.2 | 0 | 0 | 0 | 113.1 | K50 Y51 I54 E76 L77 Q78 F84 | K50-L80 HydrophobicContact CG-CD2 4.38Å; K50-L80 VanDerWaalsContact O-CD2 3.23Å; K50-L80 WeakPolarHBondContact O-CD2 3.39Å; Y51-L80 HydrophobicContact CD1-CD1 4.46Å; Y51-L80 HydrophobicContact CE1-CD1 4.08Å; I54-L80 HydrophobicContact CD1-CD2 4.36Å; I54-L80 HydrophobicContact CD1-CG 4.08Å; E76-L80 WeakPolarHBondContact O-CB 3.41Å; E76-L80 PolarHBondContact O-N 3.07Å; L77-L80 PolarHBondContact O-N 3.01Å; Q78-L80 VanDerWaalsContact C-N 3.29Å; Q78-L80 PolarHBondContact O-N 3.34Å; L80-F84 VanDerWaalsContact O-CB 3.25Å; L80-F84 WeakPolarHBondContact O-CB 3.38Å; L80-F84 PolarHBondContact O-N 3.49Å |
| 81 | D | 89.3 | Confident | 87.7 | Confident | 23 Ų | 23 | 64.8 Ų | 64.8 | 12% | 0.123 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66.3 | -40 | 176 | -166.3 | 61.5 | 0 | 0 | 0 | 110.8 | I54 L77 Q78 F84 R85 R171 Y172 | I54-D81 HydrophobicContact CG2-CB 4.24Å; L77-D81 WeakPolarHBondContact O-CB 3.45Å; L77-D81 PolarHBondContact O-N 2.87Å; Q78-D81 PolarHBondContact O-N 2.7Å; D81-F84 PolarHBondContact O-N 2.95Å; D81-R85 WeakPolarHBondContact O-CB 3.32Å; D81-R85 PolarHBondContact O-N 2.89Å; D81-R171 IonicContact OD1-CZ 3.57Å; D81-R171 IonicContact OD1-NH1 3.2Å; D81-R171 PolarHBondContact OD1-NH1 2.96Å; D81-R171 IonicContact OD1-NH2 2.81Å; D81-R171 PolarHBondContact OD1-NH2 2.72Å; D81-R171 IonicContact OD2-CZ 3.65Å; D81-R171 IonicContact OD2-NH1 3.47Å; D81-R171 IonicContact OD2-NH2 3.83Å; D81-R171 PolarHBondContact OD2-NH2 3.43Å; D81-Y172 PolarHBondContact OD1-OH 3.28Å; D81-Y172 VanDerWaalsContact OD1-OH 3.09Å |
| 82 | E | 88.7 | Confident | 88 | Confident | 91 Ų | 91 | 64.7 Ų | 64.7 | 43% | 0.425 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -67.3 | -45.5 | 175.6 | -162 | 175.3 | -156.4 | 0 | 0 | 111.9 | Q78 D79 F84 R85 E86 R791 | Q78-E82 WeakPolarHBondContact O-CB 3.26Å; Q78-E82 PolarHBondContact O-N 2.81Å; D79-E82 PolarHBondContact O-N 3.44Å; E82-F84 VanDerWaalsContact C-N 3.3Å; E82-F84 PolarHBondContact O-N 2.98Å; E82-R85 PolarHBondContact O-N 3.43Å; E82-E86 WeakPolarHBondContact O-CG 3.44Å; E82-E86 PolarHBondContact O-N 3.49Å; E82-R791 VanDerWaalsContact CG-NH2 3.34Å; E82-R791 IonicContact OE1-NH2 2.95Å; E82-R791 IonicContact OE2-CZ 3.52Å; E82-R791 IonicContact OE2-NH1 3.82Å; E82-R791 IonicContact OE2-NH2 2.59Å; E82-R791 PolarHBondContact OE2-NH2 3.14Å |
| 83 | E | 87.6 | Confident | 88.3 | Confident | 38 Ų | 38 | 61.9 Ų | 61.9 | 18% | 0.178 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -57.4 | -44.9 | 171.8 | -173.5 | -164.8 | 151.2 | 0 | 0 | 110.6 | D79 R85 E86 N87 K793 | D79-E83 WeakPolarHBondContact O-CB 3.46Å; D79-E83 PolarHBondContact O-N 2.98Å; E83-R85 PolarHBondContact O-N 2.81Å; E83-E86 PolarHBondContact O-N 3.29Å; E83-N87 PolarHBondContact O-N 3.17Å; E83-N87 PolarHBondContact O-ND2 2.59Å; E83-K793 WeakPolarHBondContact OE1-CE 3.45Å; E83-K793 IonicContact OE1-NZ 2.88Å; E83-K793 PolarHBondContact OE1-NZ 3.04Å |
| 84 | F | 89.9 | Confident | 88.6 | Confident | 7 Ų | 7 | 62 Ų | 62 | 3% | 0.031 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.9 | -42.8 | 179.9 | -173.8 | -85.1 | 0 | 0 | 0 | 111.8 | V39 F40 Y51 I54 I55 L80 D81 E82 N87 N88 Y172 | V39-F84 HydrophobicContact CB-CE2 4.21Å; V39-F84 HydrophobicContact CG2-CE2 3.76Å; V39-F84 HydrophobicContact CG2-CZ 4.03Å; F40-F84 HydrophobicContact CE1-CE1 4.21Å; F40-F84 HydrophobicContact CE1-CZ 4.08Å; F40-F84 HydrophobicContact CE2-CE1 4.39Å; F40-F84 AromaticContact CE2-CZ 3.97Å; F40-F84 HydrophobicContact CE2-CZ 3.97Å; F40-F84 AromaticContact CZ-CE1 3.71Å; F40-F84 HydrophobicContact CZ-CE1 3.71Å; F40-F84 AromaticContact CZ-CZ 3.64Å; F40-F84 HydrophobicContact CZ-CZ 3.64Å; Y51-F84 AromaticContact CD1-CD2 3.85Å; Y51-F84 HydrophobicContact CD1-CD2 3.85Å; Y51-F84 HydrophobicContact CD1-CE2 4.31Å; Y51-F84 HydrophobicContact CE1-CD2 4.04Å; Y51-F84 HydrophobicContact CG-CD2 4.47Å; Y51-F84 HydrophobicContact CG-CE2 4.5Å; I54-F84 HydrophobicContact CD1-CB 3.64Å; I54-F84 HydrophobicContact CD1-CD2 3.99Å; I54-F84 HydrophobicContact CD1-CG 3.8Å; I55-F84 HydrophobicContact CD1-CE1 4.47Å; I55-F84 HydrophobicContact CD1-CE2 3.63Å; I55-F84 HydrophobicContact CD1-CZ 3.52Å; I55-F84 HydrophobicContact CG1-CE1 4.3Å; I55-F84 HydrophobicContact CG1-CE2 4.11Å; I55-F84 HydrophobicContact CG1-CZ 3.81Å; L80-F84 VanDerWaalsContact O-CB 3.25Å; L80-F84 WeakPolarHBondContact O-CB 3.38Å; L80-F84 PolarHBondContact O-N 3.49Å; D81-F84 PolarHBondContact O-N 2.95Å; E82-F84 VanDerWaalsContact C-N 3.3Å; E82-F84 PolarHBondContact O-N 2.98Å; F84-N87 PolarHBondContact O-N 2.81Å; F84-N88 HydrophobicContact CE1-CB 4.26Å; F84-N88 WeakPolarHBondContact O-CB 3.08Å; F84-N88 PolarHBondContact O-N 3.35Å; F84-N88 VanDerWaalsContact O-N 3.14Å; F84-N88 PolarHBondContact O-ND2 2.96Å; F84-Y172 AromaticContact CD1-CE2 3.96Å; F84-Y172 HydrophobicContact CD1-CE2 3.96Å; F84-Y172 AromaticContact CD1-CZ 3.96Å; F84-Y172 WeakPolarHBondContact CD1-OH 3.17Å; F84-Y172 HydrophobicContact CE1-CE2 4.26Å |
| 85 | R | 89.7 | Confident | 88.9 | Confident | 103 Ų | 103 | 57.1 Ų | 57.1 | 39% | 0.389 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.7 | -53.2 | 175.8 | 177 | -179 | -178.4 | -146.6 | 5.4 | 111.5 | D81 E82 E83 N87 N88 I89 Y172 | D81-R85 WeakPolarHBondContact O-CB 3.32Å; D81-R85 PolarHBondContact O-N 2.89Å; E82-R85 PolarHBondContact O-N 3.43Å; E83-R85 PolarHBondContact O-N 2.81Å; R85-N87 PolarHBondContact O-N 2.78Å; R85-N88 PolarHBondContact O-N 3.43Å; R85-I89 VanDerWaalsContact O-CB 3.28Å; R85-I89 WeakPolarHBondContact O-CB 3.36Å; R85-I89 WeakPolarHBondContact O-CG2 3.46Å; R85-I89 PolarHBondContact O-N 3.16Å; R85-Y172 HydrophobicContact CB-CD1 3.81Å; R85-Y172 HydrophobicContact CB-CD2 4.08Å; R85-Y172 HydrophobicContact CB-CE1 3.8Å; R85-Y172 HydrophobicContact CB-CE2 4.08Å; R85-Y172 HydrophobicContact CB-CG 3.97Å; R85-Y172 HydrophobicContact CG-CD1 3.71Å; R85-Y172 HydrophobicContact CG-CD2 3.94Å; R85-Y172 HydrophobicContact CG-CE1 4.24Å; R85-Y172 HydrophobicContact CG-CE2 4.45Å; R85-Y172 HydrophobicContact CG-CG 3.55Å; R85-Y172 PolarHBondContact NE-O 3.12Å; R85-Y172 PolarHBondContact NH2-O 3.28Å |
| 86 | E | 88.6 | Confident | 89.3 | Confident | 70 Ų | 70 | 53 Ų | 53 | 33% | 0.327 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -55.5 | -36.1 | -178.8 | -74.2 | 173.2 | -164.7 | 0 | 0 | 111.8 | E82 E83 R791 | E82-E86 WeakPolarHBondContact O-CG 3.44Å; E82-E86 PolarHBondContact O-N 3.49Å; E83-E86 PolarHBondContact O-N 3.29Å; E86-R791 IonicContact OE1-CZ 3.82Å; E86-R791 IonicContact OE1-NE 2.8Å; E86-R791 PolarHBondContact OE1-NE 3.01Å; E86-R791 VanDerWaalsContact OE1-NE 3.09Å; E86-R791 IonicContact OE1-NH2 2.95Å; E86-R791 PolarHBondContact OE1-NH2 3.31Å; E86-R791 WeakPolarHBondContact OE2-CG 3.47Å; E86-R791 IonicContact OE2-NE 2.78Å; E86-R791 PolarHBondContact OE2-NE 3.45Å; E86-R791 VanDerWaalsContact OE2-NE 3.12Å |
| 87 | N | 87.6 | Confident | 89.7 | Confident | 25 Ų | 25 | 48.9 Ų | 48.9 | 13% | 0.134 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -85.4 | -21.8 | -177.3 | -74.4 | -67.8 | 0 | 0 | 0 | 115.1 | E83 F84 R85 R791 K793 | E83-N87 PolarHBondContact O-N 3.17Å; E83-N87 PolarHBondContact O-ND2 2.59Å; F84-N87 PolarHBondContact O-N 2.81Å; R85-N87 PolarHBondContact O-N 2.78Å; N87-R791 PolarHBondContact ND2-O 3.49Å; N87-R791 VanDerWaalsContact ND2-O 3.15Å; N87-K793 PolarHBondContact OD1-N 3.45Å |
| 88 | N | 89.6 | Confident | 90.1 | Very high | 20 Ų | 20 | 48.3 Ų | 48.3 | 11% | 0.107 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -122 | -10.7 | -170.6 | -64.9 | -82.3 | 0 | 0 | 0 | 115 | F40 F84 R85 E90 I91 V92 | F40-N88 HydrophobicContact CE2-CB 4.37Å; F84-N88 HydrophobicContact CE1-CB 4.26Å; F84-N88 WeakPolarHBondContact O-CB 3.08Å; F84-N88 PolarHBondContact O-N 3.35Å; F84-N88 VanDerWaalsContact O-N 3.14Å; F84-N88 PolarHBondContact O-ND2 2.96Å; R85-N88 PolarHBondContact O-N 3.43Å; N88-E90 VanDerWaalsContact C-N 3.29Å; N88-E90 PolarHBondContact O-N 3.33Å; N88-I91 HydrophobicContact CB-CG2 4.49Å; N88-I91 WeakPolarHBondContact O-CG2 3.49Å; N88-I91 PolarHBondContact O-N 3.4Å; N88-V92 HydrophobicContact CB-CG2 4.36Å; N88-V92 WeakPolarHBondContact O-CB 3.27Å; N88-V92 VanDerWaalsContact O-CG2 3.23Å; N88-V92 WeakPolarHBondContact O-CG2 3.28Å; N88-V92 PolarHBondContact O-N 3.08Å |
| 89 | I | 89.6 | Confident | 90.5 | Very high | 47 Ų | 47 | 44.4 Ų | 44.4 | 24% | 0.241 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.4 | -35.6 | -172.9 | -172.5 | 56.7 | 0 | 0 | 0 | 113.6 | R85 T93 Y172 | R85-I89 VanDerWaalsContact O-CB 3.28Å; R85-I89 WeakPolarHBondContact O-CB 3.36Å; R85-I89 WeakPolarHBondContact O-CG2 3.46Å; R85-I89 PolarHBondContact O-N 3.16Å; I89-T93 VanDerWaalsContact O-CB 3.3Å; I89-T93 WeakPolarHBondContact O-CB 3.4Å; I89-T93 PolarHBondContact O-N 3.42Å; I89-T93 PolarHBondContact O-OG1 3.25Å; I89-Y172 HydrophobicContact CD1-CD2 4.36Å |
| 90 | E | 89.1 | Confident | 90.9 | Very high | 125 Ų | 125 | 43.6 Ų | 43.6 | 58% | 0.584 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -65.1 | -51.1 | -179 | -172.5 | -179.9 | 173 | 0 | 0 | 111.7 | N88 T93 R94 W797 | N88-E90 VanDerWaalsContact C-N 3.29Å; N88-E90 PolarHBondContact O-N 3.33Å; E90-T93 PolarHBondContact O-N 2.53Å; E90-R94 PolarHBondContact O-N 3.24Å; E90-R94 VanDerWaalsContact O-N 3.09Å; E90-W797 WeakPolarHBondContact OE2-CH2 3.36Å |
| 91 | I | 89.7 | Confident | 91.3 | Very high | 27 Ų | 27 | 44.9 Ų | 44.9 | 14% | 0.138 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.3 | -40.9 | 179.1 | -171.8 | 62.4 | 0 | 0 | 0 | 111.2 | L32 F35 P37 N88 T93 R94 F95 | L32-I91 HydrophobicContact CD2-CD1 4.44Å; F35-I91 HydrophobicContact CB-CD1 4.18Å; P37-I91 HydrophobicContact CG-CG1 4.25Å; P37-I91 HydrophobicContact CG-CG2 3.85Å; N88-I91 HydrophobicContact CB-CG2 4.49Å; N88-I91 WeakPolarHBondContact O-CG2 3.49Å; N88-I91 PolarHBondContact O-N 3.4Å; I91-T93 VanDerWaalsContact C-N 3.32Å; I91-T93 PolarHBondContact O-N 2.88Å; I91-R94 WeakPolarHBondContact O-CB 3.35Å; I91-R94 PolarHBondContact O-N 3.33Å; I91-R94 VanDerWaalsContact O-N 3.15Å; I91-F95 HydrophobicContact CD1-CD2 4.3Å; I91-F95 HydrophobicContact CD1-CE2 3.98Å; I91-F95 HydrophobicContact CG1-CD2 4.01Å; I91-F95 HydrophobicContact CG1-CE2 3.79Å; I91-F95 VanDerWaalsContact O-CD2 3.31Å; I91-F95 WeakPolarHBondContact O-CD2 3.47Å; I91-F95 PolarHBondContact O-N 2.95Å |
| 92 | V | 92.1 | Very high | 91.7 | Very high | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.012 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.7 | -40.4 | 176.6 | 168.8 | 0 | 0 | 0 | 0 | 111.3 | F40 N88 R94 F95 Y96 M165 Y169 | F40-V92 HydrophobicContact CE2-CG2 3.88Å; F40-V92 HydrophobicContact CZ-CG2 3.56Å; N88-V92 HydrophobicContact CB-CG2 4.36Å; N88-V92 WeakPolarHBondContact O-CB 3.27Å; N88-V92 VanDerWaalsContact O-CG2 3.23Å; N88-V92 WeakPolarHBondContact O-CG2 3.28Å; N88-V92 PolarHBondContact O-N 3.08Å; V92-R94 VanDerWaalsContact C-N 3.33Å; V92-R94 PolarHBondContact O-N 3.48Å; V92-F95 PolarHBondContact O-N 3.23Å; V92-Y96 PolarHBondContact O-N 3.13Å; V92-M165 WeakPolarHBondContact CG1-O 3.4Å; V92-Y169 HydrophobicContact CG1-CD2 4.21Å; V92-Y169 HydrophobicContact CG1-CG 4.36Å |
| 93 | T | 92 | Very high | 92 | Very high | 42 Ų | 42 | 40.1 Ų | 40.1 | 26% | 0.258 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -61.9 | -41.8 | 174.6 | -60.3 | 0 | 0 | 0 | 0 | 111.3 | I89 E90 I91 Y96 L97 Y169 | I89-T93 VanDerWaalsContact O-CB 3.3Å; I89-T93 WeakPolarHBondContact O-CB 3.4Å; I89-T93 PolarHBondContact O-N 3.42Å; I89-T93 PolarHBondContact O-OG1 3.25Å; E90-T93 PolarHBondContact O-N 2.53Å; I91-T93 VanDerWaalsContact C-N 3.32Å; I91-T93 PolarHBondContact O-N 2.88Å; T93-Y96 PolarHBondContact O-N 3.34Å; T93-L97 HydrophobicContact CG2-CD1 4.28Å; T93-L97 WeakPolarHBondContact O-CG 3.36Å; T93-L97 PolarHBondContact O-N 3.25Å; T93-Y169 HydrophobicContact CG2-CE2 4.04Å |
| 94 | R | 92.6 | Very high | 92.4 | Very high | 101 Ų | 101 | 44.1 Ų | 44.1 | 38% | 0.381 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -64 | -42 | 178.1 | -165.7 | 178.8 | 169.6 | 174.3 | -0.5 | 112.4 | E28 L32 E90 I91 V92 L97 A98 | E28-R94 IonicContact OE1-CZ 3.48Å; E28-R94 VanDerWaalsContact OE1-CZ 3.24Å; E28-R94 IonicContact OE1-NE 2.66Å; E28-R94 PolarHBondContact OE1-NE 3.35Å; E28-R94 IonicContact OE1-NH2 2.87Å; E28-R94 PolarHBondContact OE1-NH2 3.5Å; E28-R94 IonicContact OE2-NH2 3.66Å; E28-R94 PolarHBondContact OE2-NH2 3.21Å; L32-R94 HydrophobicContact CD1-CG 4.45Å; L32-R94 HydrophobicContact CD2-CG 3.9Å; E90-R94 PolarHBondContact O-N 3.24Å; E90-R94 VanDerWaalsContact O-N 3.09Å; I91-R94 WeakPolarHBondContact O-CB 3.35Å; I91-R94 PolarHBondContact O-N 3.33Å; I91-R94 VanDerWaalsContact O-N 3.15Å; V92-R94 VanDerWaalsContact C-N 3.33Å; V92-R94 PolarHBondContact O-N 3.48Å; R94-L97 PolarHBondContact O-N 3.23Å; R94-A98 PolarHBondContact O-N 2.98Å; R94-A98 VanDerWaalsContact O-N 3.14Å |
| 95 | F | 94 | Very high | 92.8 | Very high | 1 Ų | 1 | 44 Ų | 44 | 0% | 0.004 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60 | -45.6 | 172 | -85.2 | -78.9 | 0 | 0 | 0 | 112 | L32 I36 I91 V92 L97 A98 F99 I157 M165 | L32-F95 HydrophobicContact CB-CD1 4.26Å; L32-F95 HydrophobicContact CB-CE1 3.75Å; L32-F95 HydrophobicContact CB-CZ 4.05Å; L32-F95 HydrophobicContact CD1-CD1 4.3Å; L32-F95 HydrophobicContact CD2-CE2 4.47Å; L32-F95 HydrophobicContact CD2-CZ 4.48Å; L32-F95 WeakPolarHBondContact O-CZ 3.3Å; I36-F95 HydrophobicContact CB-CZ 4.4Å; I36-F95 HydrophobicContact CG1-CE1 4.07Å; I36-F95 HydrophobicContact CG1-CZ 3.65Å; I91-F95 HydrophobicContact CD1-CD2 4.3Å; I91-F95 HydrophobicContact CD1-CE2 3.98Å; I91-F95 HydrophobicContact CG1-CD2 4.01Å; I91-F95 HydrophobicContact CG1-CE2 3.79Å; I91-F95 VanDerWaalsContact O-CD2 3.31Å; I91-F95 WeakPolarHBondContact O-CD2 3.47Å; I91-F95 PolarHBondContact O-N 2.95Å; V92-F95 PolarHBondContact O-N 3.23Å; F95-L97 PolarHBondContact O-N 2.93Å; F95-A98 PolarHBondContact O-N 3.42Å; F95-F99 HydrophobicContact CB-CE2 4.18Å; F95-F99 HydrophobicContact CD1-CE2 4.49Å; F95-F99 HydrophobicContact CD1-CZ 4.09Å; F95-F99 WeakPolarHBondContact O-CB 3.43Å; F95-F99 VanDerWaalsContact O-CD2 3.26Å; F95-F99 WeakPolarHBondContact O-CD2 3.32Å; F95-F99 VanDerWaalsContact O-CG 3.22Å; F95-F99 WeakPolarHBondContact O-CG 3.34Å; F95-F99 PolarHBondContact O-N 3.46Å; F95-I157 HydrophobicContact CD1-CD1 4.48Å; F95-I157 HydrophobicContact CE1-CD1 4.17Å; F95-M165 HydrophobicContact CB-SD 4.29Å; F95-M165 HydrophobicContact CD1-SD 4Å; F95-M165 HydrophobicContact CD2-CE 4.07Å; F95-M165 HydrophobicContact CD2-SD 3.89Å; F95-M165 HydrophobicContact CE1-SD 4.27Å; F95-M165 HydrophobicContact CE2-CE 3.86Å; F95-M165 HydrophobicContact CE2-SD 4.19Å; F95-M165 HydrophobicContact CG-SD 3.8Å; F95-M165 HydrophobicContact CZ-CE 4.1Å; F95-M165 HydrophobicContact CZ-SD 4.37Å |
| 96 | Y | 93.4 | Very high | 93.1 | Very high | 9 Ų | 9 | 39.1 Ų | 39.1 | 4% | 0.035 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.3 | -43.9 | 176.9 | 173.8 | -97.2 | 0 | 0 | 0 | 112.5 | V92 T93 A98 F99 Q100 L166 Y169 M183 I186 | V92-Y96 PolarHBondContact O-N 3.13Å; T93-Y96 PolarHBondContact O-N 3.34Å; Y96-A98 VanDerWaalsContact C-N 3.34Å; Y96-A98 PolarHBondContact O-N 3.26Å; Y96-F99 WeakPolarHBondContact O-CB 3.38Å; Y96-F99 PolarHBondContact O-N 3.5Å; Y96-Q100 HydrophobicContact CE1-CB 4.47Å; Y96-Q100 WeakPolarHBondContact O-CB 3.43Å; Y96-Q100 PolarHBondContact O-N 3.01Å; Y96-L166 HydrophobicContact CD2-CD2 3.9Å; Y96-Y169 HydrophobicContact CD1-CD1 4.01Å; Y96-Y169 AromaticContact CD1-CE1 3.36Å; Y96-Y169 HydrophobicContact CD1-CE1 3.36Å; Y96-Y169 HydrophobicContact CD1-CE2 4.06Å; Y96-Y169 AromaticContact CD1-CZ 3.39Å; Y96-Y169 AromaticContact CD2-CD1 3.55Å; Y96-Y169 HydrophobicContact CD2-CD1 3.55Å; Y96-Y169 AromaticContact CD2-CE1 3.66Å; Y96-Y169 HydrophobicContact CD2-CE1 3.66Å; Y96-Y169 HydrophobicContact CD2-CG 4.26Å; Y96-Y169 HydrophobicContact CE1-CD1 4.41Å; Y96-Y169 AromaticContact CE1-CE1 3.53Å; Y96-Y169 HydrophobicContact CE1-CE1 3.53Å; Y96-Y169 AromaticContact CE1-CZ 3.77Å; Y96-Y169 HydrophobicContact CE2-CD1 4.01Å; Y96-Y169 AromaticContact CE2-CE1 3.82Å; Y96-Y169 HydrophobicContact CE2-CE1 3.82Å; Y96-Y169 AromaticContact CG-CD1 3.54Å; Y96-Y169 HydrophobicContact CG-CD1 3.54Å; Y96-Y169 HydrophobicContact CG-CD2 4.29Å; Y96-Y169 AromaticContact CG-CE1 3.42Å; Y96-Y169 HydrophobicContact CG-CE1 3.42Å; Y96-Y169 VanDerWaalsContact CG-CE1 3.42Å; Y96-Y169 HydrophobicContact CG-CE2 4.19Å; Y96-Y169 AromaticContact CG-CG 3.98Å; Y96-Y169 HydrophobicContact CG-CG 3.98Å; Y96-Y169 AromaticContact CG-CZ 3.76Å; Y96-Y169 AromaticContact CZ-CE1 3.75Å; Y96-M183 HydrophobicContact CD2-CE 4.11Å; Y96-M183 HydrophobicContact CD2-SD 4.31Å; Y96-M183 HydrophobicContact CE2-CE 3.5Å; Y96-M183 HydrophobicContact CE2-SD 3.67Å; Y96-I186 HydrophobicContact CE2-CD1 3.81Å |
| 97 | L | 93.7 | Very high | 93.4 | Very high | 84 Ų | 84 | 38.9 Ų | 38.9 | 44% | 0.44 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -63.4 | -37.9 | 178.2 | -69.2 | 173.3 | 0 | 0 | 0 | 112.5 | T93 R94 F95 Q100 S101 | T93-L97 HydrophobicContact CG2-CD1 4.28Å; T93-L97 WeakPolarHBondContact O-CG 3.36Å; T93-L97 PolarHBondContact O-N 3.25Å; R94-L97 PolarHBondContact O-N 3.23Å; F95-L97 PolarHBondContact O-N 2.93Å; L97-Q100 PolarHBondContact O-N 2.97Å; L97-S101 WeakPolarHBondContact O-CB 3.32Å; L97-S101 PolarHBondContact O-N 3.39Å; L97-S101 PolarHBondContact O-OG 2.96Å |
| 98 | A | 94.8 | Very high | 93.9 | Very high | 8 Ų | 8 | 40.6 Ų | 40.6 | 7% | 0.066 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.7 | -44.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | E28 L29 L32 R94 F95 Y96 S101 V102 | E28-A98 HydrophobicContact CG-CB 4.4Å; L29-A98 HydrophobicContact CD2-CB 4.32Å; L32-A98 HydrophobicContact CD1-CB 3.48Å; L32-A98 VanDerWaalsContact CD1-CB 3.48Å; R94-A98 PolarHBondContact O-N 2.98Å; R94-A98 VanDerWaalsContact O-N 3.14Å; F95-A98 PolarHBondContact O-N 3.42Å; Y96-A98 VanDerWaalsContact C-N 3.34Å; Y96-A98 PolarHBondContact O-N 3.26Å; A98-S101 WeakPolarHBondContact O-CB 3.46Å; A98-S101 PolarHBondContact O-N 3.43Å; A98-V102 WeakPolarHBondContact O-CG2 3.42Å; A98-V102 PolarHBondContact O-N 3.36Å |
| 99 | F | 95.4 | Very high | 94.3 | Very high | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.009 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.1 | -42.9 | 175.1 | -70.1 | -21.2 | 0 | 0 | 0 | 113.3 | L29 F95 Y96 S101 V102 H103 I157 R162 L166 I186 L190 | L29-F99 HydrophobicContact CD2-CD1 4.49Å; L29-F99 HydrophobicContact CD2-CE1 4.46Å; F95-F99 HydrophobicContact CB-CE2 4.18Å; F95-F99 HydrophobicContact CD1-CE2 4.49Å; F95-F99 HydrophobicContact CD1-CZ 4.09Å; F95-F99 WeakPolarHBondContact O-CB 3.43Å; F95-F99 VanDerWaalsContact O-CD2 3.26Å; F95-F99 WeakPolarHBondContact O-CD2 3.32Å; F95-F99 VanDerWaalsContact O-CG 3.22Å; F95-F99 WeakPolarHBondContact O-CG 3.34Å; F95-F99 PolarHBondContact O-N 3.46Å; Y96-F99 WeakPolarHBondContact O-CB 3.38Å; Y96-F99 PolarHBondContact O-N 3.5Å; F99-S101 VanDerWaalsContact C-N 3.29Å; F99-S101 PolarHBondContact O-N 2.85Å; F99-V102 PolarHBondContact O-N 3.48Å; F99-H103 PolarHBondContact O-N 3.01Å; F99-I157 HydrophobicContact CE1-CD1 3.91Å; F99-I157 HydrophobicContact CZ-CD1 4.11Å; F99-R162 HydrophobicContact CE2-CG 4.49Å; F99-R162 HydrophobicContact CZ-CB 4.5Å; F99-R162 HydrophobicContact CZ-CG 3.9Å; F99-L166 HydrophobicContact CD2-CD2 3.87Å; F99-L166 HydrophobicContact CD2-CG 4.22Å; F99-L166 HydrophobicContact CE2-CG 4.48Å; F99-I186 HydrophobicContact CB-CG2 4.16Å; F99-L190 HydrophobicContact CB-CD1 3.32Å; F99-L190 HydrophobicContact CD1-CD1 3.56Å; F99-L190 HydrophobicContact CD1-CD2 4.4Å; F99-L190 HydrophobicContact CD2-CD1 3.7Å; F99-L190 HydrophobicContact CE1-CD1 4.31Å; F99-L190 HydrophobicContact CE2-CD1 4.42Å; F99-L190 HydrophobicContact CG-CD1 3.22Å |
| 100 | Q | 94.5 | Very high | 94.6 | Very high | 66 Ų | 66 | 38.9 Ų | 38.9 | 31% | 0.308 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -61 | -39 | 172.9 | -177.4 | -178.9 | 36.7 | 0 | 0 | 111.5 | Y96 L97 V102 H103 K104 I186 | Y96-Q100 HydrophobicContact CE1-CB 4.47Å; Y96-Q100 WeakPolarHBondContact O-CB 3.43Å; Y96-Q100 PolarHBondContact O-N 3.01Å; L97-Q100 PolarHBondContact O-N 2.97Å; Q100-V102 VanDerWaalsContact C-N 3.32Å; Q100-V102 PolarHBondContact O-N 3.17Å; Q100-H103 PolarHBondContact O-N 2.84Å; Q100-K104 WeakPolarHBondContact O-CB 3.5Å; Q100-K104 PolarHBondContact O-N 3.46Å; Q100-I186 HydrophobicContact CB-CD1 3.88Å; Q100-I186 HydrophobicContact CG-CD1 4.01Å |
| 101 | S | 95.8 | Very high | 95 | Very high | 51 Ų | 51 | 40.6 Ų | 40.6 | 36% | 0.357 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -64.4 | -36 | 179.2 | -58.7 | 0 | 0 | 0 | 0 | 112.3 | I25 L97 A98 F99 K104 Y105 | I25-S101 WeakPolarHBondContact CD1-O 3.33Å; L97-S101 WeakPolarHBondContact O-CB 3.32Å; L97-S101 PolarHBondContact O-N 3.39Å; L97-S101 PolarHBondContact O-OG 2.96Å; A98-S101 WeakPolarHBondContact O-CB 3.46Å; A98-S101 PolarHBondContact O-N 3.43Å; F99-S101 VanDerWaalsContact C-N 3.29Å; F99-S101 PolarHBondContact O-N 2.85Å; S101-K104 PolarHBondContact O-N 3.21Å; S101-Y105 WeakPolarHBondContact O-CB 3.19Å; S101-Y105 PolarHBondContact O-N 3.43Å |
| 102 | V | 96.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.2 | -45.2 | 174.4 | 178.2 | 0 | 0 | 0 | 0 | 111.1 | I25 L29 A98 F99 Q100 Y105 I106 Y146 M149 L150 I153 L189 | I25-V102 HydrophobicContact CG2-CG2 3.57Å; L29-V102 HydrophobicContact CD1-CG2 3.98Å; L29-V102 HydrophobicContact CD2-CG2 4.47Å; A98-V102 WeakPolarHBondContact O-CG2 3.42Å; A98-V102 PolarHBondContact O-N 3.36Å; F99-V102 PolarHBondContact O-N 3.48Å; Q100-V102 VanDerWaalsContact C-N 3.32Å; Q100-V102 PolarHBondContact O-N 3.17Å; V102-Y105 WeakPolarHBondContact O-CB 3.26Å; V102-Y105 PolarHBondContact O-N 2.99Å; V102-I106 PolarHBondContact O-N 3.42Å; V102-Y146 HydrophobicContact CG1-CE2 4.32Å; V102-M149 HydrophobicContact CG1-CB 4.3Å; V102-M149 HydrophobicContact CG1-SD 4.28Å; V102-M149 HydrophobicContact CG2-SD 4.38Å; V102-L150 HydrophobicContact CG1-CD2 4.42Å; V102-I153 HydrophobicContact CG1-CD1 4.13Å; V102-I153 HydrophobicContact CG2-CD1 3.91Å; V102-L189 HydrophobicContact CG1-CD2 4.23Å |
| 103 | H | 95.7 | Very high | 95.5 | Very high | 15 Ų | 15 | 39.6 Ų | 39.6 | 7% | 0.069 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.6 | -42.5 | 175.6 | 180 | -99.8 | 0 | 0 | 0 | 111.6 | F99 Q100 Y105 I106 V107 D185 I186 L189 | F99-H103 PolarHBondContact O-N 3.01Å; Q100-H103 PolarHBondContact O-N 2.84Å; H103-Y105 VanDerWaalsContact C-N 3.35Å; H103-Y105 PolarHBondContact O-N 3.41Å; H103-I106 WeakPolarHBondContact O-CG2 3.33Å; H103-I106 PolarHBondContact O-N 3.45Å; H103-V107 WeakPolarHBondContact O-CG2 3.2Å; H103-V107 PolarHBondContact O-N 2.68Å; H103-D185 WeakPolarHBondContact NE2-CB 3.34Å; H103-I186 HydrophobicContact CB-CG1 4.03Å; H103-L189 HydrophobicContact CB-CD2 4.12Å |
| 104 | K | 95.6 | Very high | 95.6 | Very high | 121 Ų | 121 | 41.4 Ų | 41.4 | 53% | 0.526 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -61.6 | -41.8 | 177.1 | 178.1 | 166.7 | 178.9 | 153.9 | 0 | 112.3 | Q100 S101 I106 V107 D108 | Q100-K104 WeakPolarHBondContact O-CB 3.5Å; Q100-K104 PolarHBondContact O-N 3.46Å; S101-K104 PolarHBondContact O-N 3.21Å; K104-I106 VanDerWaalsContact C-N 3.29Å; K104-I106 PolarHBondContact O-N 3.09Å; K104-V107 PolarHBondContact O-N 3.19Å; K104-D108 VanDerWaalsContact CE-OD2 3.23Å; K104-D108 WeakPolarHBondContact CE-OD2 3.25Å; K104-D108 WeakPolarHBondContact CG-OD2 3.39Å; K104-D108 WeakPolarHBondContact O-CB 3.45Å; K104-D108 PolarHBondContact O-N 3.48Å |
| 105 | Y | 97.7 | Very high | 95.7 | Very high | 6 Ų | 6 | 38.2 Ų | 38.2 | 2% | 0.024 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -52.5 | -47.2 | 177.5 | 177.7 | -82.6 | 0 | 0 | 0 | 112.1 | I18 I25 S101 V102 H103 D108 L109 A142 Y146 M149 | I18-Y105 HydrophobicContact CG2-CD2 4.18Å; I18-Y105 HydrophobicContact CG2-CE1 4.41Å; I18-Y105 HydrophobicContact CG2-CE2 3.67Å; I18-Y105 WeakPolarHBondContact O-CE2 3.35Å; I25-Y105 HydrophobicContact CD1-CD2 4.06Å; I25-Y105 HydrophobicContact CD1-CG 4.35Å; S101-Y105 WeakPolarHBondContact O-CB 3.19Å; S101-Y105 PolarHBondContact O-N 3.43Å; V102-Y105 WeakPolarHBondContact O-CB 3.26Å; V102-Y105 PolarHBondContact O-N 2.99Å; H103-Y105 VanDerWaalsContact C-N 3.35Å; H103-Y105 PolarHBondContact O-N 3.41Å; Y105-D108 PolarHBondContact O-N 3.26Å; Y105-L109 HydrophobicContact CE1-CD2 4.5Å; Y105-L109 WeakPolarHBondContact O-CB 3.44Å; Y105-L109 PolarHBondContact O-N 2.82Å; Y105-A142 VanDerWaalsContact OH-CA 3.26Å; Y105-A142 WeakPolarHBondContact OH-CA 3.45Å; Y105-A142 PolarHBondContact OH-O 2.74Å; Y105-Y146 HydrophobicContact CD1-CD2 4.13Å; Y105-Y146 HydrophobicContact CD1-CG 4.46Å; Y105-M149 HydrophobicContact CD1-CE 4.13Å; Y105-M149 HydrophobicContact CD1-SD 4.46Å; Y105-M149 HydrophobicContact CD2-CE 3.75Å; Y105-M149 HydrophobicContact CE1-CE 4.21Å; Y105-M149 HydrophobicContact CE2-CE 3.75Å; Y105-M149 HydrophobicContact CG-CE 3.92Å; Y105-M149 HydrophobicContact CG-SD 4.33Å |
| 106 | I | 96.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -74 | -34.2 | -178.1 | -173.2 | 57.7 | 0 | 0 | 0 | 112.6 | V102 H103 K104 L109 N110 Y146 V215 I217 | V102-I106 PolarHBondContact O-N 3.42Å; H103-I106 WeakPolarHBondContact O-CG2 3.33Å; H103-I106 PolarHBondContact O-N 3.45Å; K104-I106 VanDerWaalsContact C-N 3.29Å; K104-I106 PolarHBondContact O-N 3.09Å; I106-L109 HydrophobicContact CD1-CB 4.45Å; I106-L109 HydrophobicContact CD1-CD2 4.16Å; I106-L109 PolarHBondContact O-N 3.48Å; I106-N110 PolarHBondContact O-N 3.34Å; I106-Y146 HydrophobicContact CB-CD2 3.99Å; I106-Y146 HydrophobicContact CB-CE1 4.22Å; I106-Y146 HydrophobicContact CB-CE2 3.61Å; I106-Y146 HydrophobicContact CB-CG 4.47Å; I106-Y146 HydrophobicContact CD1-CD1 3.76Å; I106-Y146 HydrophobicContact CD1-CE1 3.8Å; I106-Y146 HydrophobicContact CD1-CG 4.16Å; I106-Y146 HydrophobicContact CG1-CD1 4.22Å; I106-Y146 HydrophobicContact CG1-CE1 3.78Å; I106-Y146 HydrophobicContact CG1-CE2 4.12Å; I106-Y146 HydrophobicContact CG2-CE2 3.84Å; I106-V215 HydrophobicContact CB-CG1 4.49Å; I106-V215 HydrophobicContact CG1-CB 4.33Å; I106-V215 HydrophobicContact CG1-CG1 3.71Å; I106-V215 HydrophobicContact CG2-CB 4.4Å; I106-V215 HydrophobicContact CG2-CG1 3.93Å; I106-V215 HydrophobicContact CG2-CG2 4.4Å; I106-I217 HydrophobicContact CD1-CD1 3.56Å; I106-I217 HydrophobicContact CD1-CG1 3.8Å |
| 107 | V | 96.1 | Very high | 95.5 | Very high | 65 Ų | 65 | 42.5 Ų | 42.5 | 39% | 0.394 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62.6 | -44.8 | 172.3 | 171.9 | 0 | 0 | 0 | 0 | 110.8 | H103 K104 N110 R111 | H103-V107 WeakPolarHBondContact O-CG2 3.2Å; H103-V107 PolarHBondContact O-N 2.68Å; K104-V107 PolarHBondContact O-N 3.19Å; V107-N110 PolarHBondContact O-N 3.44Å; V107-R111 WeakPolarHBondContact O-CB 3.5Å; V107-R111 PolarHBondContact O-N 3.31Å |
| 108 | D | 96.9 | Very high | 95.3 | Very high | 60 Ų | 60 | 45.9 Ų | 45.9 | 32% | 0.321 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -66.7 | -37 | 178.8 | -70.2 | -18.5 | 0 | 0 | 0 | 111.5 | K104 Y105 R111 Y112 | K104-D108 VanDerWaalsContact CE-OD2 3.23Å; K104-D108 WeakPolarHBondContact CE-OD2 3.25Å; K104-D108 WeakPolarHBondContact CG-OD2 3.39Å; K104-D108 WeakPolarHBondContact O-CB 3.45Å; K104-D108 PolarHBondContact O-N 3.48Å; Y105-D108 PolarHBondContact O-N 3.26Å; D108-R111 PolarHBondContact O-N 3.09Å; D108-Y112 WeakPolarHBondContact O-CB 3.46Å; D108-Y112 PolarHBondContact O-N 3.15Å |
| 109 | L | 97.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.8 | -47 | 173.6 | 178.9 | 59.5 | 0 | 0 | 0 | 112.1 | I15 I18 Y105 I106 R111 Y112 L113 A142 | I15-L109 HydrophobicContact CD1-CD1 4.11Å; I18-L109 HydrophobicContact CG2-CB 4.48Å; Y105-L109 HydrophobicContact CE1-CD2 4.5Å; Y105-L109 WeakPolarHBondContact O-CB 3.44Å; Y105-L109 PolarHBondContact O-N 2.82Å; I106-L109 HydrophobicContact CD1-CB 4.45Å; I106-L109 HydrophobicContact CD1-CD2 4.16Å; I106-L109 PolarHBondContact O-N 3.48Å; L109-R111 VanDerWaalsContact C-N 3.32Å; L109-R111 PolarHBondContact O-N 3.48Å; L109-Y112 PolarHBondContact O-N 3.11Å; L109-L113 WeakPolarHBondContact O-CG 3.46Å; L109-L113 PolarHBondContact O-N 3.12Å; L109-A142 HydrophobicContact CD1-CB 4Å; L109-A142 HydrophobicContact CD2-CB 4.33Å |
| 110 | N | 96.9 | Very high | 94.6 | Very high | 32 Ų | 32 | 51.5 Ų | 51.5 | 17% | 0.171 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.1 | -43.6 | 176.8 | -81.4 | -23.1 | 0 | 0 | 0 | 111.1 | I106 V107 Y112 L113 D114 P216 | I106-N110 PolarHBondContact O-N 3.34Å; V107-N110 PolarHBondContact O-N 3.44Å; N110-Y112 VanDerWaalsContact C-N 3.33Å; N110-Y112 PolarHBondContact O-N 2.86Å; N110-L113 WeakPolarHBondContact O-CB 3.41Å; N110-L113 PolarHBondContact O-N 3.28Å; N110-L113 VanDerWaalsContact O-N 3.12Å; N110-D114 VanDerWaalsContact O-CG 3.32Å; N110-D114 PolarHBondContact O-N 3.06Å; N110-P216 PolarHBondContact ND2-O 3.44Å |
| 111 | R | 96.4 | Very high | 94.4 | Very high | 161 Ų | 161 | 50.2 Ų | 50.2 | 61% | 0.608 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -59.3 | -42.6 | 174.7 | -176.8 | 178.5 | 179.7 | 172.7 | 3.8 | 112.5 | V107 D108 L109 L113 D114 D115 | V107-R111 WeakPolarHBondContact O-CB 3.5Å; V107-R111 PolarHBondContact O-N 3.31Å; D108-R111 PolarHBondContact O-N 3.09Å; L109-R111 VanDerWaalsContact C-N 3.32Å; L109-R111 PolarHBondContact O-N 3.48Å; R111-L113 VanDerWaalsContact C-N 3.29Å; R111-L113 PolarHBondContact O-N 3.25Å; R111-D114 PolarHBondContact O-N 3.42Å; R111-D115 WeakPolarHBondContact O-CB 3.45Å; R111-D115 VanDerWaalsContact O-CG 3.26Å; R111-D115 PolarHBondContact O-N 3.15Å |
| 112 | Y | 96.7 | Very high | 93.6 | Very high | 4 Ų | 4 | 54.8 Ų | 54.8 | 2% | 0.016 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.4 | -38.2 | 176 | 172.6 | -94.4 | 0 | 0 | 0 | 112.3 | C11 A14 I15 I18 D108 L109 N110 L116 Y121 L139 | C11-Y112 PolarHBondContact O-OH 3.46Å; C11-Y112 PolarHBondContact SG-OH 3.37Å; A14-Y112 HydrophobicContact CB-CD2 3.82Å; A14-Y112 HydrophobicContact CB-CE2 3.85Å; I15-Y112 HydrophobicContact CB-CE1 3.99Å; I15-Y112 HydrophobicContact CB-CE2 4.07Å; I15-Y112 HydrophobicContact CD1-CD1 4.06Å; I15-Y112 HydrophobicContact CD1-CE1 3.97Å; I15-Y112 HydrophobicContact CG1-CE1 4.25Å; I18-Y112 HydrophobicContact CD1-CG 4.17Å; D108-Y112 WeakPolarHBondContact O-CB 3.46Å; D108-Y112 PolarHBondContact O-N 3.15Å; L109-Y112 PolarHBondContact O-N 3.11Å; N110-Y112 VanDerWaalsContact C-N 3.33Å; N110-Y112 PolarHBondContact O-N 2.86Å; Y112-L116 HydrophobicContact CD1-CD1 4.05Å; Y112-L116 HydrophobicContact CE1-CD1 3.38Å; Y112-L116 HydrophobicContact CE1-CG 4.17Å; Y112-L116 WeakPolarHBondContact O-CG 3.41Å; Y112-L116 PolarHBondContact O-N 2.72Å; Y112-L116 VanDerWaalsContact O-N 3.12Å; Y112-Y121 AromaticContact CD2-CE2 3.97Å; Y112-Y121 HydrophobicContact CD2-CE2 3.97Å; Y112-Y121 AromaticContact CE2-CE2 3.85Å; Y112-Y121 HydrophobicContact CE2-CE2 3.85Å; Y112-L139 HydrophobicContact CE1-CD2 3.98Å |
| 113 | L | 95.8 | Very high | 92.8 | Very high | 4 Ų | 4 | 63.4 Ų | 63.4 | 2% | 0.021 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -68 | -38.9 | 174.9 | -64.3 | 172.4 | 0 | 0 | 0 | 111.7 | L109 N110 R111 L116 N117 L126 I217 N218 F221 | L109-L113 WeakPolarHBondContact O-CG 3.46Å; L109-L113 PolarHBondContact O-N 3.12Å; N110-L113 WeakPolarHBondContact O-CB 3.41Å; N110-L113 PolarHBondContact O-N 3.28Å; N110-L113 VanDerWaalsContact O-N 3.12Å; R111-L113 VanDerWaalsContact C-N 3.29Å; R111-L113 PolarHBondContact O-N 3.25Å; L113-L116 PolarHBondContact O-N 3.49Å; L113-N117 VanDerWaalsContact O-CG 3.31Å; L113-N117 PolarHBondContact O-N 3.01Å; L113-N117 VanDerWaalsContact O-N 3.1Å; L113-N117 PolarHBondContact O-ND2 3.28Å; L113-N117 VanDerWaalsContact O-ND2 3.11Å; L113-L126 HydrophobicContact CD2-CD1 4.34Å; L113-I217 HydrophobicContact CD1-CG2 4.19Å; L113-N218 HydrophobicContact CD1-CB 4.44Å; L113-F221 HydrophobicContact CD1-CB 4.15Å; L113-F221 HydrophobicContact CD1-CD1 3.55Å; L113-F221 HydrophobicContact CD1-CE1 4.03Å; L113-F221 HydrophobicContact CD1-CG 3.81Å; L113-F221 HydrophobicContact CD2-CB 4.35Å; L113-F221 HydrophobicContact CD2-CD1 4.23Å; L113-F221 HydrophobicContact CD2-CD2 3.73Å; L113-F221 HydrophobicContact CD2-CE1 4.47Å; L113-F221 HydrophobicContact CD2-CE2 4.01Å; L113-F221 HydrophobicContact CD2-CG 3.83Å; L113-F221 HydrophobicContact CD2-CZ 4.37Å |
| 114 | D | 95.1 | Very high | 92.4 | Very high | 80 Ų | 80 | 64.8 Ų | 64.8 | 43% | 0.428 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65.1 | -45 | 175.2 | -65.4 | -26 | 0 | 0 | 0 | 110.9 | N110 R111 L116 N117 E118 | N110-D114 VanDerWaalsContact O-CG 3.32Å; N110-D114 PolarHBondContact O-N 3.06Å; R111-D114 PolarHBondContact O-N 3.42Å; D114-L116 VanDerWaalsContact C-N 3.27Å; D114-L116 PolarHBondContact O-N 2.69Å; D114-N117 CarbonylContact O-C 3.56Å; D114-N117 WeakPolarHBondContact O-CB 3.46Å; D114-N117 PolarHBondContact O-N 3.26Å; D114-E118 WeakPolarHBondContact O-CB 3.37Å; D114-E118 WeakPolarHBondContact O-CG 3.46Å; D114-E118 PolarHBondContact O-N 2.92Å |
| 115 | D | 94.4 | Very high | 92.1 | Very high | 33 Ų | 33 | 61.6 Ų | 61.6 | 18% | 0.176 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -58.3 | -36.4 | 175.4 | -72.4 | -17.5 | 0 | 0 | 0 | 112.2 | R111 G119 V120 Y121 | R111-D115 WeakPolarHBondContact O-CB 3.45Å; R111-D115 VanDerWaalsContact O-CG 3.26Å; R111-D115 PolarHBondContact O-N 3.15Å; D115-G119 PolarHBondContact O-N 3.23Å; D115-V120 HydrophobicContact CB-CB 3.99Å; D115-V120 HydrophobicContact CB-CG2 3.98Å; D115-V120 WeakPolarHBondContact O-CB 3.34Å; D115-V120 PolarHBondContact O-N 2.94Å; D115-Y121 HydrophobicContact CB-CD2 4.31Å; D115-Y121 HydrophobicContact CB-CE2 3.68Å |
| 116 | L | 93.3 | Very high | 91.8 | Very high | 4 Ų | 4 | 61.8 Ų | 61.8 | 2% | 0.021 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -68.3 | -37.6 | 173.5 | -79.5 | 173.3 | 0 | 0 | 0 | 112.5 | Y112 L113 D114 Y121 Q124 V129 | Y112-L116 HydrophobicContact CD1-CD1 4.05Å; Y112-L116 HydrophobicContact CE1-CD1 3.38Å; Y112-L116 HydrophobicContact CE1-CG 4.17Å; Y112-L116 WeakPolarHBondContact O-CG 3.41Å; Y112-L116 PolarHBondContact O-N 2.72Å; Y112-L116 VanDerWaalsContact O-N 3.12Å; L113-L116 PolarHBondContact O-N 3.49Å; D114-L116 VanDerWaalsContact C-N 3.27Å; D114-L116 PolarHBondContact O-N 2.69Å; L116-Y121 HydrophobicContact CD2-CD2 3.86Å; L116-Y121 HydrophobicContact CG-CD2 4.2Å; L116-Q124 HydrophobicContact CD2-CB 4.24Å; L116-V129 HydrophobicContact CD2-CG2 4.19Å |
| 117 | N | 89.4 | Confident | 91.5 | Very high | 97 Ų | 97 | 67.1 Ų | 67.1 | 52% | 0.519 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -74 | -35.9 | 178.4 | -69.3 | -35.5 | 0 | 0 | 0 | 112 | L113 D114 G119 | L113-N117 VanDerWaalsContact O-CG 3.31Å; L113-N117 PolarHBondContact O-N 3.01Å; L113-N117 VanDerWaalsContact O-N 3.1Å; L113-N117 PolarHBondContact O-ND2 3.28Å; L113-N117 VanDerWaalsContact O-ND2 3.11Å; D114-N117 CarbonylContact O-C 3.56Å; D114-N117 WeakPolarHBondContact O-CB 3.46Å; D114-N117 PolarHBondContact O-N 3.26Å; N117-G119 PolarHBondContact O-N 3.37Å |
| 118 | E | 90.3 | Very high | 91.3 | Very high | 154 Ų | 154 | 66.6 Ų | 66.6 | 72% | 0.72 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -9.2 | 177.2 | -68.6 | -175.6 | -179.8 | 0 | 0 | 113 | D114 V120 | D114-E118 WeakPolarHBondContact O-CB 3.37Å; D114-E118 WeakPolarHBondContact O-CG 3.46Å; D114-E118 PolarHBondContact O-N 2.92Å; E118-V120 HydrophobicContact CB-CG2 4.24Å |
| 119 | G | 86.6 | Confident | 91.1 | Very high | 47 Ų | 47 | 63.7 Ų | 63.7 | 49% | 0.485 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.6 | 27.5 | 178 | 0 | 0 | 0 | 0 | 0 | 113.8 | D115 N117 Y121 | D115-G119 PolarHBondContact O-N 3.23Å; N117-G119 PolarHBondContact O-N 3.37Å; G119-Y121 PolarHBondContact O-N 3.41Å |
| 120 | V | 89.3 | Confident | 90.8 | Very high | 82 Ų | 82 | 63.8 Ų | 63.8 | 50% | 0.497 | 33% | 0.327 | S | S | . | . | trans | -59.8 | -37.3 | 176.5 | 177.1 | 0 | 0 | 0 | 0 | 110.9 | D115 E118 | D115-V120 HydrophobicContact CB-CB 3.99Å; D115-V120 HydrophobicContact CB-CG2 3.98Å; D115-V120 WeakPolarHBondContact O-CB 3.34Å; D115-V120 PolarHBondContact O-N 2.94Å; E118-V120 HydrophobicContact CB-CG2 4.24Å | ||
| 121 | Y | 88.6 | Confident | 90.5 | Very high | 38 Ų | 38 | 67.9 Ų | 67.9 | 15% | 0.149 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -88.5 | 108.5 | 174.8 | -58.1 | -72 | 0 | 0 | 0 | 110.3 | L10 C11 A14 Y112 D115 L116 G119 Q123 Q124 | L10-Y121 HydrophobicContact CB-CD1 4.41Å; L10-Y121 HydrophobicContact CB-CE1 4.28Å; C11-Y121 HydrophobicContact CB-CD1 3.58Å; C11-Y121 HydrophobicContact CB-CD2 4.34Å; C11-Y121 HydrophobicContact CB-CE1 4.15Å; C11-Y121 HydrophobicContact CB-CG 3.69Å; A14-Y121 WeakPolarHBondContact CB-OH 3.4Å; Y112-Y121 AromaticContact CD2-CE2 3.97Å; Y112-Y121 HydrophobicContact CD2-CE2 3.97Å; Y112-Y121 AromaticContact CE2-CE2 3.85Å; Y112-Y121 HydrophobicContact CE2-CE2 3.85Å; D115-Y121 HydrophobicContact CB-CD2 4.31Å; D115-Y121 HydrophobicContact CB-CE2 3.68Å; L116-Y121 HydrophobicContact CD2-CD2 3.86Å; L116-Y121 HydrophobicContact CG-CD2 4.2Å; G119-Y121 PolarHBondContact O-N 3.41Å; Y121-Q123 PolarHBondContact O-N 3.41Å; Y121-Q124 PolarHBondContact O-N 3.22Å |
| 122 | I | 79.9 | Confident | 90.3 | Very high | 148 Ų | 148 | 61.9 Ų | 61.9 | 76% | 0.759 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | 124.8 | -178.7 | -60.5 | 172.2 | 0 | 0 | 0 | 110.2 | Q124 | I122-Q124 PolarHBondContact O-N 3.34Š|
| 123 | Q | 79.6 | Confident | 90 | Very high | 181 Ų | 181 | 65.8 Ų | 65.8 | 85% | 0.846 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62 | 15.5 | 179.7 | -61.2 | 172.3 | -3.8 | 0 | 0 | 115.4 | Y121 | Y121-Q123 PolarHBondContact O-N 3.41Š|
| 124 | Q | 87.3 | Confident | 89.8 | Confident | 43 Ų | 43 | 67.8 Ų | 67.8 | 20% | 0.201 | 36% | 0.357 | C | S | . | . | trans | -116.2 | 131.7 | 173.5 | -61.5 | -66.3 | -12.1 | 0 | 0 | 110.4 | C11 L116 Y121 I122 T128 | C11-Q124 HydrophobicContact CB-CB 4.3Å; C11-Q124 HydrophobicContact CB-CG 3.97Å; L116-Q124 HydrophobicContact CD2-CB 4.24Å; Y121-Q124 PolarHBondContact O-N 3.22Å; I122-Q124 PolarHBondContact O-N 3.34Å; Q124-T128 WeakPolarHBondContact CA-OG1 3.25Å; Q124-T128 PolarHBondContact OE1-OG1 3.4Å; Q124-T128 VanDerWaalsContact OE1-OG1 3.07Å | ||
| 125 | T | 90.2 | Very high | 89.7 | Confident | 54 Ų | 54 | 64 Ų | 64 | 33% | 0.331 | 34% | 0.337 | S | S | . | . | trans | -132 | 168.1 | 176 | 55.9 | 0 | 0 | 0 | 0 | 107.9 | E127 T128 V129 | T125-E127 PolarHBondContact O-N 2.98Å; T125-E127 PolarHBondContact OG1-OE2 2.9Å; T125-T128 PolarHBondContact N-OG1 3.38Å; T125-T128 PolarHBondContact O-N 2.92Å; T125-T128 PolarHBondContact O-OG1 2.83Å; T125-T128 VanDerWaalsContact OG1-CG2 3.29Å; T125-T128 WeakPolarHBondContact OG1-CG2 3.5Å; T125-T128 PolarHBondContact OG1-N 3.23Å; T125-T128 PolarHBondContact OG1-OG1 2.93Å; T125-V129 WeakPolarHBondContact O-CG2 3.1Å; T125-V129 PolarHBondContact O-N 3.42Å; T125-V129 VanDerWaalsContact O-N 3.08Å | ||
| 126 | L | 91.1 | Very high | 89.7 | Confident | 11 Ų | 11 | 63 Ų | 63 | 6% | 0.058 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -58.1 | -38.4 | 175.3 | -178.6 | 59.6 | 0 | 0 | 0 | 112 | L113 L130 L139 F221 M224 | L113-L126 HydrophobicContact CD2-CD1 4.34Å; L126-L130 HydrophobicContact CD1-CD1 4.05Å; L126-L130 HydrophobicContact CD1-CG 4.37Å; L126-L130 HydrophobicContact CG-CD1 4.05Å; L126-L130 WeakPolarHBondContact O-CG 3.42Å; L126-L130 PolarHBondContact O-N 3.35Å; L126-L130 VanDerWaalsContact O-N 3.15Å; L126-L139 HydrophobicContact CD1-CD1 3.75Å; L126-F221 HydrophobicContact CD1-CD2 3.78Å; L126-F221 HydrophobicContact CD1-CE2 4.26Å; L126-F221 HydrophobicContact CD2-CB 4.1Å; L126-F221 HydrophobicContact CD2-CD2 4.18Å; L126-M224 HydrophobicContact CD2-CE 4.5Å; L126-M224 HydrophobicContact CD2-SD 3.56Å; L126-M224 VanDerWaalsContact CD2-SD 3.56Å; L126-M224 HydrophobicContact CG-CE 4.27Å; L126-M224 HydrophobicContact CG-SD 3.96Å |
| 127 | E | 90.9 | Very high | 89.8 | Confident | 111 Ų | 111 | 64 Ų | 64 | 52% | 0.519 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.8 | -44.8 | 176 | -63.8 | 87.6 | -178.9 | 0 | 0 | 112.7 | T125 V129 L130 L131 M224 | T125-E127 PolarHBondContact O-N 2.98Å; T125-E127 PolarHBondContact OG1-OE2 2.9Å; E127-V129 VanDerWaalsContact C-N 3.33Å; E127-V129 PolarHBondContact O-N 3Å; E127-L130 PolarHBondContact O-N 3.23Å; E127-L131 WeakPolarHBondContact O-CG 3.39Å; E127-L131 PolarHBondContact O-N 3.4Å; E127-L131 VanDerWaalsContact O-N 3.07Å; E127-M224 HydrophobicContact CB-CE 4.48Å; E127-M224 HydrophobicContact CG-CE 3.79Å |
| 128 | T | 91.1 | Very high | 90.1 | Very high | 54 Ų | 54 | 59.3 Ų | 59.3 | 33% | 0.331 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -67 | -36.5 | -177.2 | 60 | 0 | 0 | 0 | 0 | 111.8 | Q124 T125 L131 N132 | Q124-T128 WeakPolarHBondContact CA-OG1 3.25Å; Q124-T128 PolarHBondContact OE1-OG1 3.4Å; Q124-T128 VanDerWaalsContact OE1-OG1 3.07Å; T125-T128 PolarHBondContact N-OG1 3.38Å; T125-T128 PolarHBondContact O-N 2.92Å; T125-T128 PolarHBondContact O-OG1 2.83Å; T125-T128 VanDerWaalsContact OG1-CG2 3.29Å; T125-T128 WeakPolarHBondContact OG1-CG2 3.5Å; T125-T128 PolarHBondContact OG1-N 3.23Å; T125-T128 PolarHBondContact OG1-OG1 2.93Å; T128-L131 PolarHBondContact O-N 3.2Å; T128-N132 PolarHBondContact O-N 3.25Å |
| 129 | V | 92.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.5 | -40.1 | 175.6 | 178.8 | 0 | 0 | 0 | 0 | 110.8 | F4 L116 T125 E127 L131 N132 G135 K136 L139 | F4-V129 HydrophobicContact CE1-CG1 4.4Å; F4-V129 HydrophobicContact CE2-CG1 4.41Å; F4-V129 HydrophobicContact CE2-CG2 4.24Å; F4-V129 HydrophobicContact CZ-CG1 3.75Å; F4-V129 HydrophobicContact CZ-CG2 4.17Å; L116-V129 HydrophobicContact CD2-CG2 4.19Å; T125-V129 WeakPolarHBondContact O-CG2 3.1Å; T125-V129 PolarHBondContact O-N 3.42Å; T125-V129 VanDerWaalsContact O-N 3.08Å; E127-V129 VanDerWaalsContact C-N 3.33Å; E127-V129 PolarHBondContact O-N 3Å; V129-L131 VanDerWaalsContact C-N 3.27Å; V129-L131 PolarHBondContact O-N 2.69Å; V129-N132 WeakPolarHBondContact O-CB 3.4Å; V129-N132 PolarHBondContact O-N 2.76Å; V129-G135 CarbonylContact O-C 3.6Å; V129-G135 WeakPolarHBondContact O-CA 3.43Å; V129-K136 PolarHBondContact O-N 2.82Å; V129-L139 HydrophobicContact CB-CD1 4.07Å; V129-L139 HydrophobicContact CG1-CD1 3.52Å; V129-L139 HydrophobicContact CG1-CG 3.99Å |
| 130 | L | 91.5 | Very high | 90.9 | Very high | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -72.6 | -15.2 | 177 | -72.2 | 168.2 | 0 | 0 | 0 | 114.2 | L126 E127 K136 L139 M224 R228 | L126-L130 HydrophobicContact CD1-CD1 4.05Å; L126-L130 HydrophobicContact CD1-CG 4.37Å; L126-L130 HydrophobicContact CG-CD1 4.05Å; L126-L130 WeakPolarHBondContact O-CG 3.42Å; L126-L130 PolarHBondContact O-N 3.35Å; L126-L130 VanDerWaalsContact O-N 3.15Å; E127-L130 PolarHBondContact O-N 3.23Å; L130-K136 HydrophobicContact CD2-CB 4.37Å; L130-L139 HydrophobicContact CD2-CB 4.14Å; L130-L139 HydrophobicContact CD2-CD1 3.53Å; L130-L139 HydrophobicContact CD2-CG 4.49Å; L130-L139 HydrophobicContact CG-CD1 3.63Å; L130-M224 HydrophobicContact CD1-CB 3.72Å; L130-M224 HydrophobicContact CD1-CE 3.51Å; L130-M224 HydrophobicContact CD1-CG 4.46Å; L130-M224 HydrophobicContact CD1-SD 4.16Å; L130-R228 HydrophobicContact CD2-CG 4.21Å |
| 131 | L | 90.6 | Very high | 91.3 | Very high | 119 Ų | 119 | 46.8 Ų | 46.8 | 62% | 0.623 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -84.2 | -17.7 | 170.7 | -72.1 | 170.7 | 0 | 0 | 0 | 112.6 | E127 T128 V129 | E127-L131 WeakPolarHBondContact O-CG 3.39Å; E127-L131 PolarHBondContact O-N 3.4Å; E127-L131 VanDerWaalsContact O-N 3.07Å; T128-L131 PolarHBondContact O-N 3.2Å; V129-L131 VanDerWaalsContact C-N 3.27Å; V129-L131 PolarHBondContact O-N 2.69Å |
| 132 | N | 91.8 | Very high | 91.7 | Very high | 35 Ų | 35 | 45 Ų | 45 | 19% | 0.187 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -81.7 | 140.1 | 175.5 | -176.3 | -85.4 | 0 | 0 | 0 | 111 | F4 T128 V129 D134 G135 K136 | F4-N132 WeakPolarHBondContact CB-OD1 3.18Å; F4-N132 WeakPolarHBondContact CG-OD1 3.49Å; T128-N132 PolarHBondContact O-N 3.25Å; V129-N132 WeakPolarHBondContact O-CB 3.4Å; V129-N132 PolarHBondContact O-N 2.76Å; N132-D134 PolarHBondContact O-N 3.24Å; N132-D134 PolarHBondContact OD1-N 3.1Å; N132-G135 PolarHBondContact O-N 2.89Å; N132-G135 PolarHBondContact OD1-N 2.94Å; N132-K136 WeakPolarHBondContact O-CB 3.42Å; N132-K136 WeakPolarHBondContact O-CG 3.28Å; N132-K136 PolarHBondContact O-N 3.12Å |
| 133 | E | 90.2 | Very high | 92.5 | Very high | 85 Ų | 85 | 38 Ų | 38 | 40% | 0.397 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -61.6 | -42.8 | -178.3 | -70.7 | -63.1 | 125.4 | 0 | 0 | 113.1 | K136 Q137 N236 | E133-K136 WeakPolarHBondContact O-CG 3.43Å; E133-K136 IonicContact OE1-NZ 2.68Å; E133-K136 PolarHBondContact OE1-NZ 3.23Å; E133-K136 VanDerWaalsContact OE2-CE 3.28Å; E133-K136 WeakPolarHBondContact OE2-CE 3.43Å; E133-K136 IonicContact OE2-NZ 2.74Å; E133-K136 PolarHBondContact OE2-NZ 3.49Å; E133-Q137 WeakPolarHBondContact O-CG 3.35Å; E133-N236 PolarHBondContact OE2-ND2 2.73Å |
| 134 | D | 92.1 | Very high | 93.4 | Very high | 47 Ų | 47 | 30.4 Ų | 30.4 | 25% | 0.251 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -78.9 | -40.7 | 178.2 | -61.7 | -54.9 | 0 | 0 | 0 | 111.2 | F4 L5 N132 K136 Q137 L138 | F4-D134 HydrophobicContact CB-CB 4.39Å; F4-D134 HydrophobicContact CD1-CB 4.07Å; L5-D134 HydrophobicContact CD1-CB 4.14Å; L5-D134 HydrophobicContact CD2-CB 4.32Å; L5-D134 HydrophobicContact CG-CB 4.09Å; N132-D134 PolarHBondContact O-N 3.24Å; N132-D134 PolarHBondContact OD1-N 3.1Å; D134-K136 PolarHBondContact O-N 3.21Å; D134-Q137 PolarHBondContact O-N 2.88Å; D134-L138 WeakPolarHBondContact O-CG 3.12Å; D134-L138 PolarHBondContact O-N 2.97Å |
| 135 | G | 93.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -58.4 | -45.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | V129 N132 Q137 L138 L139 | V129-G135 CarbonylContact O-C 3.6Å; V129-G135 WeakPolarHBondContact O-CA 3.43Å; N132-G135 PolarHBondContact O-N 2.89Å; N132-G135 PolarHBondContact OD1-N 2.94Å; G135-Q137 PolarHBondContact O-N 3.16Å; G135-L138 PolarHBondContact O-N 3.42Å; G135-L139 WeakPolarHBondContact O-CB 3.25Å; G135-L139 WeakPolarHBondContact O-CG 3.29Å; G135-L139 PolarHBondContact O-N 3.18Å |
| 136 | K | 94.1 | Very high | 94.3 | Very high | 11 Ų | 11 | 26 Ų | 26 | 5% | 0.048 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -65.2 | -37 | 177.4 | 75.8 | -169.6 | 179.9 | -173.3 | 0 | 112.6 | V129 L130 N132 E133 D134 C140 I234 | V129-K136 PolarHBondContact O-N 2.82Å; L130-K136 HydrophobicContact CD2-CB 4.37Å; N132-K136 WeakPolarHBondContact O-CB 3.42Å; N132-K136 WeakPolarHBondContact O-CG 3.28Å; N132-K136 PolarHBondContact O-N 3.12Å; E133-K136 WeakPolarHBondContact O-CG 3.43Å; E133-K136 IonicContact OE1-NZ 2.68Å; E133-K136 PolarHBondContact OE1-NZ 3.23Å; E133-K136 VanDerWaalsContact OE2-CE 3.28Å; E133-K136 WeakPolarHBondContact OE2-CE 3.43Å; E133-K136 IonicContact OE2-NZ 2.74Å; E133-K136 PolarHBondContact OE2-NZ 3.49Å; D134-K136 PolarHBondContact O-N 3.21Å; K136-C140 PolarHBondContact O-N 3.05Å; K136-C140 PolarHBondContact O-SG 2.87Å; K136-I234 HydrophobicContact CD-CG2 4.25Å; K136-I234 HydrophobicContact CG-CB 4.42Å; K136-I234 HydrophobicContact CG-CG2 4.35Å |
| 137 | Q | 94.9 | Very high | 94.6 | Very high | 25 Ų | 25 | 25.5 Ų | 25.5 | 12% | 0.117 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64.2 | -50.8 | 175.8 | -69.7 | 173.1 | 11.3 | 0 | 0 | 110.6 | E133 D134 G135 L139 C140 E141 I234 Y235 | E133-Q137 WeakPolarHBondContact O-CG 3.35Å; D134-Q137 PolarHBondContact O-N 2.88Å; G135-Q137 PolarHBondContact O-N 3.16Å; Q137-L139 PolarHBondContact O-N 2.93Å; Q137-C140 PolarHBondContact O-N 3.05Å; Q137-E141 WeakPolarHBondContact O-CB 3.4Å; Q137-E141 VanDerWaalsContact O-CG 3.31Å; Q137-E141 WeakPolarHBondContact O-CG 3.23Å; Q137-E141 PolarHBondContact O-N 3.1Å; Q137-I234 HydrophobicContact CG-CB 4.43Å; Q137-I234 VanDerWaalsContact CG-O 3.31Å; Q137-I234 WeakPolarHBondContact CG-O 3.13Å; Q137-I234 PolarHBondContact NE2-O 3.38Å; Q137-Y235 HydrophobicContact CB-CE1 4.23Å; Q137-Y235 HydrophobicContact CG-CD1 3.96Å; Q137-Y235 HydrophobicContact CG-CE1 3.79Å |
| 138 | L | 96.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -63.5 | -39.3 | -177.1 | -70.4 | 172.1 | 0 | 0 | 0 | 112.7 | F4 L5 I15 L16 V19 D134 G135 E141 A142 | F4-L138 HydrophobicContact CE1-CD1 4.48Å; L5-L138 HydrophobicContact CD2-CD1 3.53Å; I15-L138 HydrophobicContact CG1-CB 3.94Å; I15-L138 HydrophobicContact CG2-CB 4.19Å; I15-L138 HydrophobicContact CG2-CD1 3.96Å; L16-L138 HydrophobicContact CB-CD1 4.22Å; L16-L138 HydrophobicContact CD1-CD1 4.48Å; L16-L138 HydrophobicContact CD1-CD2 4.03Å; V19-L138 HydrophobicContact CB-CD2 4.09Å; V19-L138 HydrophobicContact CG1-CD2 4.13Å; V19-L138 HydrophobicContact CG2-CB 4.36Å; V19-L138 HydrophobicContact CG2-CD2 4Å; V19-L138 WeakPolarHBondContact CG2-O 3.5Å; D134-L138 WeakPolarHBondContact O-CG 3.12Å; D134-L138 PolarHBondContact O-N 2.97Å; G135-L138 PolarHBondContact O-N 3.42Å; L138-E141 PolarHBondContact O-N 3.08Å; L138-A142 VanDerWaalsContact O-CB 3.27Å; L138-A142 WeakPolarHBondContact O-CB 3.18Å; L138-A142 PolarHBondContact O-N 3.17Å |
| 139 | L | 96.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -65.6 | -40.2 | 175.6 | -74.5 | 179.9 | 0 | 0 | 0 | 112.6 | I15 Y112 L126 V129 L130 G135 Q137 F221 | I15-L139 HydrophobicContact CD1-CD2 4.05Å; I15-L139 HydrophobicContact CG1-CD2 4.17Å; Y112-L139 HydrophobicContact CE1-CD2 3.98Å; L126-L139 HydrophobicContact CD1-CD1 3.75Å; V129-L139 HydrophobicContact CB-CD1 4.07Å; V129-L139 HydrophobicContact CG1-CD1 3.52Å; V129-L139 HydrophobicContact CG1-CG 3.99Å; L130-L139 HydrophobicContact CD2-CB 4.14Å; L130-L139 HydrophobicContact CD2-CD1 3.53Å; L130-L139 HydrophobicContact CD2-CG 4.49Å; L130-L139 HydrophobicContact CG-CD1 3.63Å; G135-L139 WeakPolarHBondContact O-CB 3.25Å; G135-L139 WeakPolarHBondContact O-CG 3.29Å; G135-L139 PolarHBondContact O-N 3.18Å; Q137-L139 PolarHBondContact O-N 2.93Å; L139-F221 HydrophobicContact CB-CE2 4.01Å; L139-F221 HydrophobicContact CB-CZ 4.41Å; L139-F221 HydrophobicContact CD1-CE2 4.4Å; L139-F221 HydrophobicContact CD2-CE2 3.87Å; L139-F221 HydrophobicContact CD2-CZ 4.3Å; L139-F221 HydrophobicContact CG-CE2 4.31Å |
| 140 | C | 96.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -65.7 | -46.8 | 174.6 | -65.7 | 0 | 0 | 0 | 0 | 111.3 | K136 Q137 A142 Y144 V225 L229 I234 M257 | K136-C140 PolarHBondContact O-N 3.05Å; K136-C140 PolarHBondContact O-SG 2.87Å; Q137-C140 PolarHBondContact O-N 3.05Å; C140-A142 VanDerWaalsContact C-N 3.33Å; C140-A142 PolarHBondContact O-N 3.38Å; C140-Y144 WeakPolarHBondContact O-CB 3.36Å; C140-Y144 PolarHBondContact O-N 3.37Å; C140-Y144 VanDerWaalsContact O-N 3.09Å; C140-V225 HydrophobicContact CB-CG1 4.39Å; C140-L229 HydrophobicContact CB-CD2 4.16Å; C140-L229 HydrophobicContact CB-CG 4.49Å; C140-I234 HydrophobicContact CB-CD1 4.04Å; C140-M257 HydrophobicContact CB-SD 4.43Å |
| 141 | E | 96.9 | Very high | 95.6 | Very high | 20 Ų | 20 | 18.6 Ų | 18.6 | 9% | 0.093 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -60.8 | -40.6 | 177.9 | -73.7 | 170.1 | -158.1 | 0 | 0 | 111.4 | V19 Q137 L138 L143 Y144 L145 Y235 M257 R599 | V19-E141 HydrophobicContact CG1-CB 4Å; V19-E141 HydrophobicContact CG2-CB 4.38Å; Q137-E141 WeakPolarHBondContact O-CB 3.4Å; Q137-E141 VanDerWaalsContact O-CG 3.31Å; Q137-E141 WeakPolarHBondContact O-CG 3.23Å; Q137-E141 PolarHBondContact O-N 3.1Å; L138-E141 PolarHBondContact O-N 3.08Å; E141-L143 PolarHBondContact O-N 3Å; E141-Y144 PolarHBondContact O-N 2.93Å; E141-L145 WeakPolarHBondContact O-CB 3.33Å; E141-L145 VanDerWaalsContact O-CG 3.23Å; E141-L145 WeakPolarHBondContact O-CG 3.23Å; E141-L145 PolarHBondContact O-N 2.76Å; E141-Y235 WeakPolarHBondContact CG-OH 3.23Å; E141-Y235 PolarHBondContact OE1-OH 3.19Å; E141-M257 HydrophobicContact CG-SD 4.17Å; E141-R599 IonicContact OE1-CZ 2.88Å; E141-R599 IonicContact OE1-NE 2.72Å; E141-R599 IonicContact OE1-NH2 3.59Å; E141-R599 PolarHBondContact OE1-NH2 3.48Å; E141-R599 WeakPolarHBondContact OE2-CG 3.44Å; E141-R599 IonicContact OE2-CZ 3.8Å; E141-R599 IonicContact OE2-NE 3.81Å; E141-R599 PolarHBondContact OE2-NE 3.34Å; E141-R599 IonicContact OE2-NH2 2.86Å |
| 142 | A | 97.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -60.1 | -46.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | I15 V19 Y105 L109 L138 C140 Y146 | I15-A142 HydrophobicContact CD1-CB 3.85Å; V19-A142 HydrophobicContact CG2-CB 3.85Å; Y105-A142 VanDerWaalsContact OH-CA 3.26Å; Y105-A142 WeakPolarHBondContact OH-CA 3.45Å; Y105-A142 PolarHBondContact OH-O 2.74Å; L109-A142 HydrophobicContact CD1-CB 4Å; L109-A142 HydrophobicContact CD2-CB 4.33Å; L138-A142 VanDerWaalsContact O-CB 3.27Å; L138-A142 WeakPolarHBondContact O-CB 3.18Å; L138-A142 PolarHBondContact O-N 3.17Å; C140-A142 VanDerWaalsContact C-N 3.33Å; C140-A142 PolarHBondContact O-N 3.38Å; A142-Y146 PolarHBondContact O-N 3.5Å |
| 143 | L | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -71.3 | -40.9 | 177.8 | -175.3 | 60.4 | 0 | 0 | 0 | 111.7 | E141 Y146 G147 I217 F221 I222 V225 I261 F264 | E141-L143 PolarHBondContact O-N 3Å; L143-Y146 PolarHBondContact O-N 3.41Å; L143-G147 PolarHBondContact O-N 2.89Å; L143-I217 HydrophobicContact CD1-CD1 3.45Å; L143-I217 VanDerWaalsContact CD1-CD1 3.45Å; L143-F221 HydrophobicContact CB-CE1 4.13Å; L143-F221 HydrophobicContact CB-CZ 4.41Å; L143-F221 HydrophobicContact CD1-CE1 4.45Å; L143-F221 HydrophobicContact CD2-CE1 4.24Å; L143-I222 HydrophobicContact CD2-CG1 4.12Å; L143-V225 HydrophobicContact CD2-CG1 4.35Å; L143-I261 HydrophobicContact CB-CD1 4.48Å; L143-I261 HydrophobicContact CB-CG1 4.47Å; L143-I261 HydrophobicContact CD2-CD1 4.44Å; L143-I261 HydrophobicContact CD2-CG1 4.09Å; L143-I261 HydrophobicContact CD2-CG2 3.72Å; L143-I261 HydrophobicContact CG-CG1 4.08Å; L143-F264 HydrophobicContact CD1-CD1 4.41Å; L143-F264 HydrophobicContact CD1-CD2 3.8Å; L143-F264 HydrophobicContact CD1-CE1 4.31Å; L143-F264 HydrophobicContact CD1-CE2 3.68Å; L143-F264 HydrophobicContact CD1-CG 4.19Å; L143-F264 HydrophobicContact CD1-CZ 3.96Å; L143-F264 HydrophobicContact CD2-CD2 4.31Å; L143-F264 HydrophobicContact CG-CD2 3.97Å; L143-F264 HydrophobicContact CG-CE2 3.95Å |
| 144 | Y | 97.7 | Very high | 96.1 | Very high | 22 Ų | 22 | 7.4 Ų | 7.4 | 9% | 0.086 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -61 | -48.1 | 177.3 | 156.7 | -106.6 | 0 | 0 | 0 | 112.3 | C140 E141 Y146 G147 V148 M257 V260 I292 | C140-Y144 WeakPolarHBondContact O-CB 3.36Å; C140-Y144 PolarHBondContact O-N 3.37Å; C140-Y144 VanDerWaalsContact O-N 3.09Å; E141-Y144 PolarHBondContact O-N 2.93Å; Y144-Y146 VanDerWaalsContact C-N 3.3Å; Y144-Y146 PolarHBondContact O-N 2.94Å; Y144-G147 PolarHBondContact O-N 3.12Å; Y144-G147 VanDerWaalsContact O-N 3.11Å; Y144-V148 HydrophobicContact CD2-CG2 3.78Å; Y144-V148 HydrophobicContact CE1-CG2 4.19Å; Y144-V148 HydrophobicContact CE2-CG2 3.34Å; Y144-V148 HydrophobicContact CG-CG2 4.4Å; Y144-V148 WeakPolarHBondContact O-CG2 3.38Å; Y144-V148 PolarHBondContact O-N 2.99Å; Y144-M257 HydrophobicContact CD1-CG 3.81Å; Y144-M257 HydrophobicContact CD1-SD 4.22Å; Y144-M257 HydrophobicContact CD2-CB 4.08Å; Y144-M257 HydrophobicContact CD2-CG 3.74Å; Y144-M257 HydrophobicContact CE1-CG 4.19Å; Y144-M257 HydrophobicContact CE2-CG 4.1Å; Y144-M257 HydrophobicContact CG-CB 4.14Å; Y144-M257 HydrophobicContact CG-CG 3.55Å; Y144-M257 HydrophobicContact CG-SD 4.3Å; Y144-V260 HydrophobicContact CD2-CB 4Å; Y144-V260 HydrophobicContact CD2-CG1 4.36Å; Y144-V260 HydrophobicContact CD2-CG2 4.01Å; Y144-V260 HydrophobicContact CE2-CG2 4.04Å; Y144-I292 PolarHBondContact OH-O 3.08Å |
| 145 | L | 97.9 | Very high | 96 | Very high | 5 Ų | 5 | 7.6 Ų | 7.6 | 3% | 0.026 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -62 | -37.8 | -178.5 | -71.9 | 171.9 | 0 | 0 | 0 | 111.6 | V19 I26 E141 V148 M149 Y293 | V19-L145 HydrophobicContact CB-CD1 4.49Å; V19-L145 HydrophobicContact CG1-CD1 3.75Å; I26-L145 HydrophobicContact CD1-CB 4.48Å; I26-L145 HydrophobicContact CD1-CD2 3.64Å; E141-L145 WeakPolarHBondContact O-CB 3.33Å; E141-L145 VanDerWaalsContact O-CG 3.23Å; E141-L145 WeakPolarHBondContact O-CG 3.23Å; E141-L145 PolarHBondContact O-N 2.76Å; L145-V148 PolarHBondContact O-N 3.49Å; L145-M149 HydrophobicContact CB-CE 4.32Å; L145-M149 VanDerWaalsContact O-CG 3.32Å; L145-M149 WeakPolarHBondContact O-CG 3.35Å; L145-M149 PolarHBondContact O-N 3.43Å; L145-Y293 HydrophobicContact CD2-CE2 4.34Å |
| 146 | Y | 98 | Very high | 96 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -60.2 | -48.1 | 173.2 | -178.8 | -126.5 | 0 | 0 | 0 | 111.6 | V102 Y105 I106 A142 L143 Y144 V148 M149 L150 I217 F264 | V102-Y146 HydrophobicContact CG1-CE2 4.32Å; Y105-Y146 HydrophobicContact CD1-CD2 4.13Å; Y105-Y146 HydrophobicContact CD1-CG 4.46Å; I106-Y146 HydrophobicContact CB-CD2 3.99Å; I106-Y146 HydrophobicContact CB-CE1 4.22Å; I106-Y146 HydrophobicContact CB-CE2 3.61Å; I106-Y146 HydrophobicContact CB-CG 4.47Å; I106-Y146 HydrophobicContact CD1-CD1 3.76Å; I106-Y146 HydrophobicContact CD1-CE1 3.8Å; I106-Y146 HydrophobicContact CD1-CG 4.16Å; I106-Y146 HydrophobicContact CG1-CD1 4.22Å; I106-Y146 HydrophobicContact CG1-CE1 3.78Å; I106-Y146 HydrophobicContact CG1-CE2 4.12Å; I106-Y146 HydrophobicContact CG2-CE2 3.84Å; A142-Y146 PolarHBondContact O-N 3.5Å; L143-Y146 PolarHBondContact O-N 3.41Å; Y144-Y146 VanDerWaalsContact C-N 3.3Å; Y144-Y146 PolarHBondContact O-N 2.94Å; Y146-V148 VanDerWaalsContact C-N 3.3Å; Y146-V148 PolarHBondContact O-N 2.99Å; Y146-M149 WeakPolarHBondContact O-CB 3.43Å; Y146-M149 PolarHBondContact O-N 2.98Å; Y146-L150 HydrophobicContact CE1-CD1 3.98Å; Y146-L150 HydrophobicContact CE2-CD1 4.41Å; Y146-L150 HydrophobicContact CE2-CD2 4.06Å; Y146-L150 HydrophobicContact CE2-CG 4.25Å; Y146-L150 WeakPolarHBondContact O-CG 3.37Å; Y146-L150 PolarHBondContact O-N 3Å; Y146-L150 VanDerWaalsContact O-N 3.14Å; Y146-I217 HydrophobicContact CD1-CD1 4.11Å; Y146-I217 HydrophobicContact CE1-CD1 4.28Å; Y146-F264 AromaticContact CD1-CE1 3.88Å; Y146-F264 HydrophobicContact CD1-CE1 3.88Å; Y146-F264 AromaticContact CD1-CZ 3.63Å; Y146-F264 HydrophobicContact CD1-CZ 3.63Å; Y146-F264 HydrophobicContact CE1-CE1 4.01Å; Y146-F264 HydrophobicContact CE1-CZ 4.19Å |
| 147 | G | 97.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -59.6 | -39.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L143 Y144 L150 L151 | L143-G147 PolarHBondContact O-N 2.89Å; Y144-G147 PolarHBondContact O-N 3.12Å; Y144-G147 VanDerWaalsContact O-N 3.11Å; G147-L150 PolarHBondContact O-N 3.19Å; G147-L151 WeakPolarHBondContact O-CG 3.46Å; G147-L151 PolarHBondContact O-N 3.35Å; G147-L151 VanDerWaalsContact O-N 3.12Å |
| 148 | V | 97.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -64 | -43.1 | 174.6 | 174 | 0 | 0 | 0 | 0 | 111.5 | I26 Y144 L145 Y146 L150 L151 V152 V260 Y293 | I26-V148 HydrophobicContact CD1-CB 4.15Å; I26-V148 HydrophobicContact CD1-CG1 3.76Å; I26-V148 HydrophobicContact CG1-CG1 4.46Å; Y144-V148 HydrophobicContact CD2-CG2 3.78Å; Y144-V148 HydrophobicContact CE1-CG2 4.19Å; Y144-V148 HydrophobicContact CE2-CG2 3.34Å; Y144-V148 HydrophobicContact CG-CG2 4.4Å; Y144-V148 WeakPolarHBondContact O-CG2 3.38Å; Y144-V148 PolarHBondContact O-N 2.99Å; L145-V148 PolarHBondContact O-N 3.49Å; Y146-V148 VanDerWaalsContact C-N 3.3Å; Y146-V148 PolarHBondContact O-N 2.99Å; V148-L150 VanDerWaalsContact C-N 3.32Å; V148-L150 PolarHBondContact O-N 3.3Å; V148-L151 PolarHBondContact O-N 3.42Å; V148-V152 HydrophobicContact CG1-CG2 3.88Å; V148-V152 WeakPolarHBondContact O-CB 3.35Å; V148-V152 VanDerWaalsContact O-CG2 3.25Å; V148-V152 WeakPolarHBondContact O-CG2 3.48Å; V148-V152 PolarHBondContact O-N 3.28Å; V148-V260 HydrophobicContact CG2-CG2 4.43Å; V148-Y293 HydrophobicContact CG1-CD1 4.28Å; V148-Y293 HydrophobicContact CG1-CD2 4.08Å; V148-Y293 HydrophobicContact CG1-CG 3.81Å |
| 149 | M | 97.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -55.4 | -48.6 | 175.8 | -69.3 | 170.9 | -151.6 | 0 | 0 | 111.1 | G22 I25 I26 L29 V102 Y105 L145 Y146 L151 V152 I153 | G22-M149 WeakPolarHBondContact O-CE 3.4Å; I25-M149 HydrophobicContact CB-CE 4.2Å; I25-M149 HydrophobicContact CB-SD 4.24Å; I25-M149 HydrophobicContact CD1-CE 4.29Å; I25-M149 HydrophobicContact CD1-SD 4.4Å; I25-M149 HydrophobicContact CG2-CE 4.34Å; I25-M149 HydrophobicContact CG2-CG 4.14Å; I25-M149 HydrophobicContact CG2-SD 3.73Å; I26-M149 HydrophobicContact CD1-CG 4.27Å; I26-M149 HydrophobicContact CG1-CG 3.62Å; L29-M149 HydrophobicContact CD1-CB 4.31Å; L29-M149 HydrophobicContact CD1-CG 4.4Å; V102-M149 HydrophobicContact CG1-CB 4.3Å; V102-M149 HydrophobicContact CG1-SD 4.28Å; V102-M149 HydrophobicContact CG2-SD 4.38Å; Y105-M149 HydrophobicContact CD1-CE 4.13Å; Y105-M149 HydrophobicContact CD1-SD 4.46Å; Y105-M149 HydrophobicContact CD2-CE 3.75Å; Y105-M149 HydrophobicContact CE1-CE 4.21Å; Y105-M149 HydrophobicContact CE2-CE 3.75Å; Y105-M149 HydrophobicContact CG-CE 3.92Å; Y105-M149 HydrophobicContact CG-SD 4.33Å; L145-M149 HydrophobicContact CB-CE 4.32Å; L145-M149 VanDerWaalsContact O-CG 3.32Å; L145-M149 WeakPolarHBondContact O-CG 3.35Å; L145-M149 PolarHBondContact O-N 3.43Å; Y146-M149 WeakPolarHBondContact O-CB 3.43Å; Y146-M149 PolarHBondContact O-N 2.98Å; M149-L151 PolarHBondContact O-N 2.97Å; M149-V152 PolarHBondContact O-N 2.76Å; M149-I153 WeakPolarHBondContact O-CB 3.43Å; M149-I153 WeakPolarHBondContact O-CD1 3.4Å; M149-I153 WeakPolarHBondContact O-CG1 3.5Å; M149-I153 PolarHBondContact O-N 3.28Å |
| 150 | L | 96.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -59.4 | -47.6 | 179.8 | -61.7 | -176.9 | 0 | 0 | 0 | 111.5 | V102 Y146 G147 V148 I153 D154 L189 Y211 F212 | V102-L150 HydrophobicContact CG1-CD2 4.42Å; Y146-L150 HydrophobicContact CE1-CD1 3.98Å; Y146-L150 HydrophobicContact CE2-CD1 4.41Å; Y146-L150 HydrophobicContact CE2-CD2 4.06Å; Y146-L150 HydrophobicContact CE2-CG 4.25Å; Y146-L150 WeakPolarHBondContact O-CG 3.37Å; Y146-L150 PolarHBondContact O-N 3Å; Y146-L150 VanDerWaalsContact O-N 3.14Å; G147-L150 PolarHBondContact O-N 3.19Å; V148-L150 VanDerWaalsContact C-N 3.32Å; V148-L150 PolarHBondContact O-N 3.3Å; L150-I153 PolarHBondContact O-N 3.13Å; L150-D154 PolarHBondContact O-N 3.21Å; L150-L189 HydrophobicContact CD2-CD1 3.9Å; L150-Y211 HydrophobicContact CB-CD1 4.22Å; L150-Y211 HydrophobicContact CB-CE1 3.7Å; L150-Y211 HydrophobicContact CB-CE2 4.48Å; L150-Y211 HydrophobicContact CD2-CE1 4.47Å; L150-Y211 HydrophobicContact CD2-CE2 3.85Å; L150-Y211 VanDerWaalsContact O-CE1 3.28Å; L150-Y211 WeakPolarHBondContact O-CE1 3.28Å; L150-F212 HydrophobicContact CB-CE2 4.12Å; L150-F212 HydrophobicContact CD1-CD2 3.95Å; L150-F212 HydrophobicContact CD1-CE2 4.2Å; L150-F212 HydrophobicContact CD1-CG 4.27Å |
| 151 | L | 95.6 | Very high | 95.1 | Very high | 21 Ų | 21 | 18.2 Ų | 18.2 | 11% | 0.11 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -64.1 | -42.6 | 178.7 | -67.2 | 173.4 | 0 | 0 | 0 | 112.4 | G147 V148 M149 D154 Q155 P208 F212 V260 I292 | G147-L151 WeakPolarHBondContact O-CG 3.46Å; G147-L151 PolarHBondContact O-N 3.35Å; G147-L151 VanDerWaalsContact O-N 3.12Å; V148-L151 PolarHBondContact O-N 3.42Å; M149-L151 PolarHBondContact O-N 2.97Å; L151-D154 PolarHBondContact O-N 3.42Å; L151-Q155 VanDerWaalsContact O-CB 3.28Å; L151-Q155 WeakPolarHBondContact O-CB 3.31Å; L151-Q155 PolarHBondContact O-N 2.81Å; L151-P208 HydrophobicContact CD2-CB 4.19Å; L151-F212 HydrophobicContact CD1-CZ 4.2Å; L151-F212 HydrophobicContact CD2-CE2 4.05Å; L151-F212 HydrophobicContact CD2-CZ 4.27Å; L151-F212 HydrophobicContact CG-CE2 4.1Å; L151-F212 HydrophobicContact CG-CZ 3.95Å; L151-V260 HydrophobicContact CD1-CG1 4.49Å; L151-V260 HydrophobicContact CD1-CG2 4.35Å; L151-I292 HydrophobicContact CD1-CD1 3.93Å |
| 152 | V | 95.3 | Very high | 94.9 | Very high | 2 Ų | 2 | 17.2 Ų | 17.2 | 1% | 0.012 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -63.3 | -43.2 | 178.5 | 167.3 | 0 | 0 | 0 | 0 | 110.8 | L29 L30 V148 M149 D154 Q155 K156 I296 | L29-V152 HydrophobicContact CB-CG1 4.43Å; L30-V152 HydrophobicContact CD2-CG1 3.74Å; L30-V152 HydrophobicContact CG-CG1 4.17Å; V148-V152 HydrophobicContact CG1-CG2 3.88Å; V148-V152 WeakPolarHBondContact O-CB 3.35Å; V148-V152 VanDerWaalsContact O-CG2 3.25Å; V148-V152 WeakPolarHBondContact O-CG2 3.48Å; V148-V152 PolarHBondContact O-N 3.28Å; M149-V152 PolarHBondContact O-N 2.76Å; V152-D154 PolarHBondContact O-N 3.44Å; V152-Q155 PolarHBondContact O-N 3.45Å; V152-K156 HydrophobicContact CG1-CG 4.22Å; V152-K156 VanDerWaalsContact O-CB 3.26Å; V152-K156 WeakPolarHBondContact O-CB 3.4Å; V152-K156 WeakPolarHBondContact O-CG 3.21Å; V152-K156 PolarHBondContact O-N 2.88Å; V152-I296 HydrophobicContact CG2-CD1 3.86Å |
| 153 | I | 95.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -58.3 | -50.5 | 177.1 | -69 | 165.5 | 0 | 0 | 0 | 110.3 | L29 V102 M149 L150 Q155 K156 I157 R162 L190 | L29-I153 HydrophobicContact CD1-CD1 4.01Å; L29-I153 HydrophobicContact CD1-CG1 3.72Å; L29-I153 HydrophobicContact CD2-CD1 4.31Å; L29-I153 HydrophobicContact CD2-CG1 3.89Å; L29-I153 HydrophobicContact CG-CG1 4.4Å; V102-I153 HydrophobicContact CG1-CD1 4.13Å; V102-I153 HydrophobicContact CG2-CD1 3.91Å; M149-I153 WeakPolarHBondContact O-CB 3.43Å; M149-I153 WeakPolarHBondContact O-CD1 3.4Å; M149-I153 WeakPolarHBondContact O-CG1 3.5Å; M149-I153 PolarHBondContact O-N 3.28Å; L150-I153 PolarHBondContact O-N 3.13Å; I153-Q155 VanDerWaalsContact C-N 3.33Å; I153-Q155 PolarHBondContact O-N 3.45Å; I153-K156 PolarHBondContact O-N 3.39Å; I153-I157 CarbonylContact O-C 3.55Å; I153-I157 WeakPolarHBondContact O-CA 3.26Å; I153-I157 WeakPolarHBondContact O-CB 3.16Å; I153-I157 PolarHBondContact O-N 3.04Å; I153-I157 VanDerWaalsContact O-O 3.04Å; I153-R162 VanDerWaalsContact CG2-CD 3.44Å; I153-R162 VanDerWaalsContact CG2-NH1 3.31Å; I153-L190 HydrophobicContact CD1-CD2 4.03Å; I153-L190 HydrophobicContact CG2-CD2 3.94Å |
| 154 | D | 92 | Very high | 94.7 | Very high | 3 Ų | 3 | 19.5 Ų | 19.5 | 2% | 0.016 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -65.7 | -35.6 | -179.5 | -95.6 | 28.7 | 0 | 0 | 0 | 112.6 | L150 L151 V152 R162 T193 Y195 Y207 Y211 | L150-D154 PolarHBondContact O-N 3.21Å; L151-D154 PolarHBondContact O-N 3.42Å; V152-D154 PolarHBondContact O-N 3.44Å; D154-R162 IonicContact OD1-CZ 3.28Å; D154-R162 IonicContact OD1-NH1 2.81Å; D154-R162 PolarHBondContact OD1-NH1 2.81Å; D154-R162 IonicContact OD1-NH2 3.51Å; D154-R162 PolarHBondContact OD1-NH2 2.88Å; D154-T193 WeakPolarHBondContact OD2-CB 3.49Å; D154-T193 WeakPolarHBondContact OD2-CG2 3.45Å; D154-T193 PolarHBondContact OD2-OG1 3.21Å; D154-Y195 HydrophobicContact CB-CD1 3.95Å; D154-Y207 WeakPolarHBondContact OD2-CE2 3.37Å; D154-Y211 HydrophobicContact CB-CE1 4.29Å; D154-Y211 VanDerWaalsContact CG-CE1 3.48Å; D154-Y211 VanDerWaalsContact OD1-CE1 3.31Å; D154-Y211 WeakPolarHBondContact OD1-CE1 3.26Å |
| 155 | Q | 91.1 | Very high | 94.5 | Very high | 51 Ų | 51 | 18.6 Ų | 18.6 | 24% | 0.238 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -72.8 | -38.7 | 179.7 | -171.1 | -177.9 | 8.3 | 0 | 0 | 112.9 | L151 V152 I153 S197 | L151-Q155 VanDerWaalsContact O-CB 3.28Å; L151-Q155 WeakPolarHBondContact O-CB 3.31Å; L151-Q155 PolarHBondContact O-N 2.81Å; V152-Q155 PolarHBondContact O-N 3.45Å; I153-Q155 VanDerWaalsContact C-N 3.33Å; I153-Q155 PolarHBondContact O-N 3.45Å; Q155-S197 PolarHBondContact O-OG 2.89Å |
| 156 | K | 92.6 | Very high | 94.2 | Very high | 79 Ų | 79 | 18.4 Ų | 18.4 | 34% | 0.343 | 9% | 0.086 | S | C | . | . | H | α-helix | trans | -102.4 | -25.5 | -169.8 | -64 | -67.3 | -174.6 | 173.2 | 0 | 114.1 | L30 V152 I153 | L30-K156 HydrophobicContact CD2-CG 4.27Å; V152-K156 HydrophobicContact CG1-CG 4.22Å; V152-K156 VanDerWaalsContact O-CB 3.26Å; V152-K156 WeakPolarHBondContact O-CB 3.4Å; V152-K156 WeakPolarHBondContact O-CG 3.21Å; V152-K156 PolarHBondContact O-N 2.88Å; I153-K156 PolarHBondContact O-N 3.39Å |
| 157 | I | 93 | Very high | 94 | Very high | 1 Ų | 1 | 18.4 Ų | 18.4 | 1% | 0.005 | 9% | 0.086 | C | C | . | . | S | Bend | trans | -126 | 102.5 | -177.3 | -41.9 | 177.4 | 0 | 0 | 0 | 108.9 | I36 F95 F99 I153 V161 R162 | I36-I157 HydrophobicContact CD1-CB 4.42Å; I36-I157 HydrophobicContact CD1-CG1 4.29Å; I36-I157 HydrophobicContact CD1-CG2 4.01Å; F95-I157 HydrophobicContact CD1-CD1 4.48Å; F95-I157 HydrophobicContact CE1-CD1 4.17Å; F99-I157 HydrophobicContact CE1-CD1 3.91Å; F99-I157 HydrophobicContact CZ-CD1 4.11Å; I153-I157 CarbonylContact O-C 3.55Å; I153-I157 WeakPolarHBondContact O-CA 3.26Å; I153-I157 WeakPolarHBondContact O-CB 3.16Å; I153-I157 PolarHBondContact O-N 3.04Å; I153-I157 VanDerWaalsContact O-O 3.04Å; I157-V161 HydrophobicContact CG2-CG1 4.5Å; I157-R162 HydrophobicContact CB-CG 3.95Å; I157-R162 HydrophobicContact CG2-CG 3.41Å; I157-R162 VanDerWaalsContact CG2-CG 3.41Å; I157-R162 PolarHBondContact O-NE 3.45Å |
| 158 | E | 91.2 | Very high | 93.7 | Very high | 66 Ų | 66 | 18.4 Ų | 18.4 | 31% | 0.308 | 9% | 0.086 | S | C | . | . | trans | -51.2 | 140.9 | -178.5 | -64.5 | 174.6 | -171 | 0 | 0 | 111.4 | K43 E160 V161 R162 | K43-E158 IonicContact NZ-OE1 3.64Å; K43-E158 PolarHBondContact NZ-OE1 3.04Å; K43-E158 IonicContact NZ-OE2 2.91Å; E158-E160 PolarHBondContact O-N 2.84Å; E158-V161 HydrophobicContact CB-CB 4.36Å; E158-V161 HydrophobicContact CB-CG2 3.99Å; E158-V161 WeakPolarHBondContact O-CB 3.42Å; E158-V161 PolarHBondContact O-N 3.36Å; E158-V161 VanDerWaalsContact O-N 3.09Å; E158-R162 PolarHBondContact O-N 3.29Å; E158-R162 VanDerWaalsContact O-N 3.09Å | ||
| 159 | G | 91.8 | Very high | 93.4 | Very high | 6 Ų | 6 | 20.3 Ų | 20.3 | 6% | 0.062 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -53.8 | -49.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | V161 R162 E163 | G159-V161 VanDerWaalsContact C-N 3.28Å; G159-V161 PolarHBondContact O-N 3.28Å; G159-R162 WeakPolarHBondContact O-CB 3.31Å; G159-R162 PolarHBondContact O-N 3.5Å; G159-E163 WeakPolarHBondContact O-CG 3.13Å; G159-E163 PolarHBondContact O-N 2.98Å |
| 160 | E | 91.2 | Very high | 93 | Very high | 104 Ų | 104 | 24.7 Ų | 24.7 | 49% | 0.486 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -60.8 | -36.7 | 178.4 | -62.8 | -176.5 | -173.8 | 0 | 0 | 112.8 | E158 E163 R164 | E158-E160 PolarHBondContact O-N 2.84Å; E160-E163 PolarHBondContact O-N 2.87Å; E160-R164 WeakPolarHBondContact O-CB 3.46Å; E160-R164 WeakPolarHBondContact O-CG 3.46Å; E160-R164 PolarHBondContact O-N 2.82Å; E160-R164 IonicContact OE2-CZ 3.79Å; E160-R164 IonicContact OE2-NH1 3.7Å; E160-R164 IonicContact OE2-NH2 3.09Å; E160-R164 PolarHBondContact OE2-NH2 2.97Å |
| 161 | V | 93.3 | Very high | 92.7 | Very high | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.012 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -67.1 | -43 | 179.3 | 176.1 | 0 | 0 | 0 | 0 | 110.4 | I36 F40 R41 I157 E158 G159 R164 M165 | I36-V161 HydrophobicContact CG2-CG1 3.72Å; F40-V161 HydrophobicContact CB-CG1 4.14Å; R41-V161 HydrophobicContact CG-CG2 4.06Å; I157-V161 HydrophobicContact CG2-CG1 4.5Å; E158-V161 HydrophobicContact CB-CB 4.36Å; E158-V161 HydrophobicContact CB-CG2 3.99Å; E158-V161 WeakPolarHBondContact O-CB 3.42Å; E158-V161 PolarHBondContact O-N 3.36Å; E158-V161 VanDerWaalsContact O-N 3.09Å; G159-V161 VanDerWaalsContact C-N 3.28Å; G159-V161 PolarHBondContact O-N 3.28Å; V161-R164 PolarHBondContact O-N 3.2Å; V161-M165 HydrophobicContact CG1-CE 3.78Å; V161-M165 HydrophobicContact CG1-SD 4.08Å; V161-M165 VanDerWaalsContact O-CG 3.31Å; V161-M165 WeakPolarHBondContact O-CG 3.43Å; V161-M165 PolarHBondContact O-N 3.15Å |
| 162 | R | 93.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -59.2 | -47.7 | 175.1 | -69.4 | -179.9 | -79.6 | 166.3 | -7.4 | 111.4 | F99 I153 D154 I157 E158 G159 R164 M165 L166 | F99-R162 HydrophobicContact CE2-CG 4.49Å; F99-R162 HydrophobicContact CZ-CB 4.5Å; F99-R162 HydrophobicContact CZ-CG 3.9Å; I153-R162 VanDerWaalsContact CG2-CD 3.44Å; I153-R162 VanDerWaalsContact CG2-NH1 3.31Å; D154-R162 IonicContact OD1-CZ 3.28Å; D154-R162 IonicContact OD1-NH1 2.81Å; D154-R162 PolarHBondContact OD1-NH1 2.81Å; D154-R162 IonicContact OD1-NH2 3.51Å; D154-R162 PolarHBondContact OD1-NH2 2.88Å; I157-R162 HydrophobicContact CB-CG 3.95Å; I157-R162 HydrophobicContact CG2-CG 3.41Å; I157-R162 VanDerWaalsContact CG2-CG 3.41Å; I157-R162 PolarHBondContact O-NE 3.45Å; E158-R162 PolarHBondContact O-N 3.29Å; E158-R162 VanDerWaalsContact O-N 3.09Å; G159-R162 WeakPolarHBondContact O-CB 3.31Å; G159-R162 PolarHBondContact O-N 3.5Å; R162-R164 PolarHBondContact O-N 3.19Å; R162-M165 PolarHBondContact O-N 2.7Å; R162-L166 WeakPolarHBondContact O-CB 3.47Å; R162-L166 WeakPolarHBondContact O-CG 3.32Å; R162-L166 PolarHBondContact O-N 3.02Å |
| 163 | E | 94.6 | Very high | 91.5 | Very high | 20 Ų | 20 | 26.3 Ų | 26.3 | 9% | 0.093 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -60.2 | -46.3 | 179.3 | -67.8 | -171.2 | 176.9 | 0 | 0 | 111.3 | D57 F58 G159 E160 M165 L166 V167 S192 | D57-E163 HydrophobicContact CB-CB 4.22Å; F58-E163 HydrophobicContact CB-CG 4.46Å; F58-E163 HydrophobicContact CD1-CB 3.59Å; F58-E163 HydrophobicContact CD1-CG 3.76Å; F58-E163 HydrophobicContact CD2-CB 4.39Å; F58-E163 VanDerWaalsContact CD2-CD 3.49Å; F58-E163 HydrophobicContact CD2-CG 3.64Å; F58-E163 WeakPolarHBondContact CD2-OE1 3.3Å; F58-E163 HydrophobicContact CE1-CB 3.81Å; F58-E163 HydrophobicContact CE1-CG 3.85Å; F58-E163 HydrophobicContact CE2-CG 3.73Å; F58-E163 HydrophobicContact CG-CB 3.92Å; F58-E163 HydrophobicContact CG-CG 3.67Å; F58-E163 HydrophobicContact CZ-CB 4.29Å; F58-E163 HydrophobicContact CZ-CG 3.83Å; G159-E163 WeakPolarHBondContact O-CG 3.13Å; G159-E163 PolarHBondContact O-N 2.98Å; E160-E163 PolarHBondContact O-N 2.87Å; E163-M165 PolarHBondContact O-N 3.22Å; E163-L166 PolarHBondContact O-N 3.45Å; E163-V167 VanDerWaalsContact O-CG2 3.29Å; E163-V167 WeakPolarHBondContact O-CG2 3.23Å; E163-V167 PolarHBondContact O-N 3.14Å; E163-S192 WeakPolarHBondContact OE1-CB 3Å; E163-S192 PolarHBondContact OE1-N 2.95Å |
| 164 | R | 94.6 | Very high | 89.9 | Confident | 28 Ų | 28 | 29.1 Ų | 29.1 | 11% | 0.106 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.9 | -43.2 | 178.1 | -69.3 | 168.1 | -172.4 | 155.4 | 12.5 | 113 | F40 R41 I55 F56 D57 E160 V161 R162 V167 S168 | F40-R164 HydrophobicContact CD1-CB 3.97Å; F40-R164 VanDerWaalsContact O-CD 3.31Å; F40-R164 WeakPolarHBondContact O-CD 3.32Å; F40-R164 PolarHBondContact O-NH1 2.93Å; R41-R164 PolarHBondContact O-NH1 3.31Å; I55-R164 HydrophobicContact CG2-CB 3.8Å; I55-R164 HydrophobicContact CG2-CG 3.81Å; F56-R164 VanDerWaalsContact O-CA 3.29Å; F56-R164 WeakPolarHBondContact O-CA 3.43Å; D57-R164 HydrophobicContact CB-CG 4.22Å; E160-R164 WeakPolarHBondContact O-CB 3.46Å; E160-R164 WeakPolarHBondContact O-CG 3.46Å; E160-R164 PolarHBondContact O-N 2.82Å; E160-R164 IonicContact OE2-CZ 3.79Å; E160-R164 IonicContact OE2-NH1 3.7Å; E160-R164 IonicContact OE2-NH2 3.09Å; E160-R164 PolarHBondContact OE2-NH2 2.97Å; V161-R164 PolarHBondContact O-N 3.2Å; R162-R164 PolarHBondContact O-N 3.19Å; R164-V167 PolarHBondContact O-N 3.18Å; R164-S168 WeakPolarHBondContact O-CB 3.37Å; R164-S168 PolarHBondContact O-N 2.88Å; R164-S168 PolarHBondContact O-OG 3.45Å |
| 165 | M | 93.6 | Very high | 88 | Confident | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.01 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.8 | -43.6 | 177.2 | -73.3 | 176.3 | 170.2 | 0 | 0 | 112.1 | I36 P37 F40 V92 F95 V161 R162 E163 S168 Y169 | I36-M165 HydrophobicContact CB-CE 4.4Å; I36-M165 HydrophobicContact CG2-CE 3.81Å; P37-M165 VanDerWaalsContact CD-CE 3.5Å; F40-M165 HydrophobicContact CB-CE 4.27Å; F40-M165 HydrophobicContact CD1-CG 3.96Å; F40-M165 HydrophobicContact CD2-CE 4.08Å; F40-M165 HydrophobicContact CD2-CG 4.39Å; F40-M165 HydrophobicContact CE1-CG 4.21Å; F40-M165 HydrophobicContact CG-CE 4.21Å; F40-M165 HydrophobicContact CG-CG 4.06Å; V92-M165 WeakPolarHBondContact CG1-O 3.4Å; F95-M165 HydrophobicContact CB-SD 4.29Å; F95-M165 HydrophobicContact CD1-SD 4Å; F95-M165 HydrophobicContact CD2-CE 4.07Å; F95-M165 HydrophobicContact CD2-SD 3.89Å; F95-M165 HydrophobicContact CE1-SD 4.27Å; F95-M165 HydrophobicContact CE2-CE 3.86Å; F95-M165 HydrophobicContact CE2-SD 4.19Å; F95-M165 HydrophobicContact CG-SD 3.8Å; F95-M165 HydrophobicContact CZ-CE 4.1Å; F95-M165 HydrophobicContact CZ-SD 4.37Å; V161-M165 HydrophobicContact CG1-CE 3.78Å; V161-M165 HydrophobicContact CG1-SD 4.08Å; V161-M165 VanDerWaalsContact O-CG 3.31Å; V161-M165 WeakPolarHBondContact O-CG 3.43Å; V161-M165 PolarHBondContact O-N 3.15Å; R162-M165 PolarHBondContact O-N 2.7Å; E163-M165 PolarHBondContact O-N 3.22Å; M165-S168 PolarHBondContact O-N 3.26Å; M165-Y169 WeakPolarHBondContact O-CB 3.26Å; M165-Y169 PolarHBondContact O-N 3.36Å |
| 166 | L | 92.9 | Very high | 86.2 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.1 | -41.4 | 178.2 | -74.9 | 171.4 | 0 | 0 | 0 | 111.8 | F58 Y96 F99 R162 E163 Y169 Y170 I186 L190 | F58-L166 HydrophobicContact CE1-CB 3.97Å; F58-L166 HydrophobicContact CE1-CD1 4.08Å; F58-L166 HydrophobicContact CZ-CB 4.5Å; F58-L166 HydrophobicContact CZ-CD1 3.77Å; Y96-L166 HydrophobicContact CD2-CD2 3.9Å; F99-L166 HydrophobicContact CD2-CD2 3.87Å; F99-L166 HydrophobicContact CD2-CG 4.22Å; F99-L166 HydrophobicContact CE2-CG 4.48Å; R162-L166 WeakPolarHBondContact O-CB 3.47Å; R162-L166 WeakPolarHBondContact O-CG 3.32Å; R162-L166 PolarHBondContact O-N 3.02Å; E163-L166 PolarHBondContact O-N 3.45Å; L166-Y169 PolarHBondContact O-N 2.88Å; L166-Y170 WeakPolarHBondContact O-CB 3.29Å; L166-Y170 PolarHBondContact O-N 2.82Å; L166-I186 HydrophobicContact CD2-CG2 4.16Å; L166-L190 HydrophobicContact CD1-CB 4.03Å; L166-L190 HydrophobicContact CD1-CD1 4.18Å |
| 167 | V | 92.4 | Very high | 84 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67.8 | -43.3 | 176.7 | 173.1 | 0 | 0 | 0 | 0 | 111.4 | F56 D57 F58 Y60 F61 E163 R164 Y169 Y170 R171 | F56-V167 HydrophobicContact CB-CG1 4.02Å; F56-V167 WeakPolarHBondContact O-CB 3.46Å; D57-V167 WeakPolarHBondContact O-CG2 3.4Å; F58-V167 HydrophobicContact CD1-CG2 3.74Å; F58-V167 HydrophobicContact CE1-CG2 4.23Å; Y60-V167 HydrophobicContact CD1-CG1 3.86Å; Y60-V167 HydrophobicContact CD2-CG1 4.46Å; Y60-V167 HydrophobicContact CG-CG1 3.78Å; F61-V167 HydrophobicContact CD2-CG2 4.37Å; F61-V167 HydrophobicContact CE2-CG2 3.64Å; F61-V167 HydrophobicContact CZ-CG2 3.92Å; E163-V167 VanDerWaalsContact O-CG2 3.29Å; E163-V167 WeakPolarHBondContact O-CG2 3.23Å; E163-V167 PolarHBondContact O-N 3.14Å; R164-V167 PolarHBondContact O-N 3.18Å; V167-Y169 VanDerWaalsContact C-N 3.33Å; V167-Y169 PolarHBondContact O-N 3.37Å; V167-Y170 WeakPolarHBondContact O-CB 3.49Å; V167-Y170 PolarHBondContact O-N 2.69Å; V167-R171 HydrophobicContact CG1-CG 4.35Å; V167-R171 WeakPolarHBondContact O-CG 3.48Å; V167-R171 PolarHBondContact O-N 3.35Å |
| 168 | S | 92.3 | Very high | 81.7 | Confident | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.007 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.1 | -42.4 | 173.1 | -70 | 0 | 0 | 0 | 0 | 112 | F40 R164 M165 Y170 R171 Y172 | F40-S168 WeakPolarHBondContact CE1-OG 3.45Å; R164-S168 WeakPolarHBondContact O-CB 3.37Å; R164-S168 PolarHBondContact O-N 2.88Å; R164-S168 PolarHBondContact O-OG 3.45Å; M165-S168 PolarHBondContact O-N 3.26Å; S168-Y170 PolarHBondContact O-N 3.06Å; S168-R171 PolarHBondContact O-N 3.29Å; S168-Y172 WeakPolarHBondContact O-CB 3.43Å; S168-Y172 WeakPolarHBondContact O-CD2 3.47Å; S168-Y172 PolarHBondContact O-N 3.18Å |
| 169 | Y | 91.4 | Very high | 79.6 | Confident | 40 Ų | 40 | 47.3 Ų | 47.3 | 16% | 0.157 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60 | -46.9 | 175 | -178.1 | -102.8 | 0 | 0 | 0 | 111.5 | V92 T93 Y96 M165 L166 V167 S173 M183 | V92-Y169 HydrophobicContact CG1-CD2 4.21Å; V92-Y169 HydrophobicContact CG1-CG 4.36Å; T93-Y169 HydrophobicContact CG2-CE2 4.04Å; Y96-Y169 HydrophobicContact CD1-CD1 4.01Å; Y96-Y169 AromaticContact CD1-CE1 3.36Å; Y96-Y169 HydrophobicContact CD1-CE1 3.36Å; Y96-Y169 HydrophobicContact CD1-CE2 4.06Å; Y96-Y169 AromaticContact CD1-CZ 3.39Å; Y96-Y169 AromaticContact CD2-CD1 3.55Å; Y96-Y169 HydrophobicContact CD2-CD1 3.55Å; Y96-Y169 AromaticContact CD2-CE1 3.66Å; Y96-Y169 HydrophobicContact CD2-CE1 3.66Å; Y96-Y169 HydrophobicContact CD2-CG 4.26Å; Y96-Y169 HydrophobicContact CE1-CD1 4.41Å; Y96-Y169 AromaticContact CE1-CE1 3.53Å; Y96-Y169 HydrophobicContact CE1-CE1 3.53Å; Y96-Y169 AromaticContact CE1-CZ 3.77Å; Y96-Y169 HydrophobicContact CE2-CD1 4.01Å; Y96-Y169 AromaticContact CE2-CE1 3.82Å; Y96-Y169 HydrophobicContact CE2-CE1 3.82Å; Y96-Y169 AromaticContact CG-CD1 3.54Å; Y96-Y169 HydrophobicContact CG-CD1 3.54Å; Y96-Y169 HydrophobicContact CG-CD2 4.29Å; Y96-Y169 AromaticContact CG-CE1 3.42Å; Y96-Y169 HydrophobicContact CG-CE1 3.42Å; Y96-Y169 VanDerWaalsContact CG-CE1 3.42Å; Y96-Y169 HydrophobicContact CG-CE2 4.19Å; Y96-Y169 AromaticContact CG-CG 3.98Å; Y96-Y169 HydrophobicContact CG-CG 3.98Å; Y96-Y169 AromaticContact CG-CZ 3.76Å; Y96-Y169 AromaticContact CZ-CE1 3.75Å; M165-Y169 WeakPolarHBondContact O-CB 3.26Å; M165-Y169 PolarHBondContact O-N 3.36Å; L166-Y169 PolarHBondContact O-N 2.88Å; V167-Y169 VanDerWaalsContact C-N 3.33Å; V167-Y169 PolarHBondContact O-N 3.37Å; Y169-S173 WeakPolarHBondContact CE2-OG 3.31Å; Y169-S173 WeakPolarHBondContact O-CB 3.28Å; Y169-S173 PolarHBondContact O-N 3.45Å; Y169-S173 PolarHBondContact O-OG 3.41Å; Y169-M183 HydrophobicContact CD1-CE 3.5Å; Y169-M183 HydrophobicContact CE1-CE 3.73Å |
| 170 | Y | 88.9 | Confident | 77.5 | Confident | 91 Ų | 91 | 53.9 Ų | 53.9 | 36% | 0.357 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -58.3 | -52.7 | 177.6 | 178.1 | -93.6 | 0 | 0 | 0 | 111.7 | Y60 F61 L166 V167 S168 Y172 S173 A174 M183 | Y60-Y170 HydrophobicContact CE1-CD1 4.06Å; Y60-Y170 HydrophobicContact CE1-CE1 4.08Å; F61-Y170 AromaticContact CE1-CD1 3.73Å; F61-Y170 HydrophobicContact CE1-CD1 3.73Å; F61-Y170 HydrophobicContact CE1-CD2 4.26Å; F61-Y170 AromaticContact CE1-CE1 3.94Å; F61-Y170 HydrophobicContact CE1-CE1 3.94Å; F61-Y170 HydrophobicContact CE1-CE2 4.44Å; F61-Y170 AromaticContact CE1-CG 3.91Å; F61-Y170 HydrophobicContact CE1-CG 3.91Å; F61-Y170 HydrophobicContact CZ-CD1 4.42Å; F61-Y170 HydrophobicContact CZ-CG 4.26Å; L166-Y170 WeakPolarHBondContact O-CB 3.29Å; L166-Y170 PolarHBondContact O-N 2.82Å; V167-Y170 WeakPolarHBondContact O-CB 3.49Å; V167-Y170 PolarHBondContact O-N 2.69Å; S168-Y170 PolarHBondContact O-N 3.06Å; Y170-Y172 PolarHBondContact O-N 3.14Å; Y170-S173 PolarHBondContact O-N 3.34Å; Y170-A174 PolarHBondContact O-N 3.39Å; Y170-A174 VanDerWaalsContact O-N 3.11Å; Y170-M183 HydrophobicContact CD2-CE 4.38Å; Y170-M183 HydrophobicContact CD2-CG 4.2Å |
| 171 | R | 89.7 | Confident | 76.1 | Confident | 28 Ų | 28 | 51.5 Ų | 51.5 | 11% | 0.106 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.6 | -46.5 | 180 | -72.4 | -178 | 68.9 | -115.7 | -22 | 112.1 | I54 Y60 E68 D81 V167 S168 | I54-R171 PolarHBondContact O-NH1 2.98Å; I54-R171 VanDerWaalsContact O-NH1 3.1Å; Y60-R171 HydrophobicContact CE1-CG 4Å; Y60-R171 HydrophobicContact CE2-CG 4.09Å; E68-R171 IonicContact OE1-CZ 3.85Å; E68-R171 IonicContact OE1-NE 2.85Å; E68-R171 PolarHBondContact OE1-NE 3.36Å; E68-R171 IonicContact OE1-NH2 3.34Å; E68-R171 IonicContact OE2-NH2 2.85Å; E68-R171 PolarHBondContact OE2-NH2 2.84Å; D81-R171 IonicContact OD1-CZ 3.57Å; D81-R171 IonicContact OD1-NH1 3.2Å; D81-R171 PolarHBondContact OD1-NH1 2.96Å; D81-R171 IonicContact OD1-NH2 2.81Å; D81-R171 PolarHBondContact OD1-NH2 2.72Å; D81-R171 IonicContact OD2-CZ 3.65Å; D81-R171 IonicContact OD2-NH1 3.47Å; D81-R171 IonicContact OD2-NH2 3.83Å; D81-R171 PolarHBondContact OD2-NH2 3.43Å; V167-R171 HydrophobicContact CG1-CG 4.35Å; V167-R171 WeakPolarHBondContact O-CG 3.48Å; V167-R171 PolarHBondContact O-N 3.35Å; S168-R171 PolarHBondContact O-N 3.29Å |
| 172 | Y | 87.4 | Confident | 75.3 | Confident | 11 Ų | 11 | 55.2 Ų | 55.2 | 4% | 0.043 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -81.6 | -18.7 | -174.1 | -60.2 | -30.5 | 0 | 0 | 0 | 114.7 | D81 F84 R85 I89 S168 Y170 | D81-Y172 PolarHBondContact OD1-OH 3.28Å; D81-Y172 VanDerWaalsContact OD1-OH 3.09Å; F84-Y172 AromaticContact CD1-CE2 3.96Å; F84-Y172 HydrophobicContact CD1-CE2 3.96Å; F84-Y172 AromaticContact CD1-CZ 3.96Å; F84-Y172 WeakPolarHBondContact CD1-OH 3.17Å; F84-Y172 HydrophobicContact CE1-CE2 4.26Å; R85-Y172 HydrophobicContact CB-CD1 3.81Å; R85-Y172 HydrophobicContact CB-CD2 4.08Å; R85-Y172 HydrophobicContact CB-CE1 3.8Å; R85-Y172 HydrophobicContact CB-CE2 4.08Å; R85-Y172 HydrophobicContact CB-CG 3.97Å; R85-Y172 HydrophobicContact CG-CD1 3.71Å; R85-Y172 HydrophobicContact CG-CD2 3.94Å; R85-Y172 HydrophobicContact CG-CE1 4.24Å; R85-Y172 HydrophobicContact CG-CE2 4.45Å; R85-Y172 HydrophobicContact CG-CG 3.55Å; R85-Y172 PolarHBondContact NE-O 3.12Å; R85-Y172 PolarHBondContact NH2-O 3.28Å; I89-Y172 HydrophobicContact CD1-CD2 4.36Å; S168-Y172 WeakPolarHBondContact O-CB 3.43Å; S168-Y172 WeakPolarHBondContact O-CD2 3.47Å; S168-Y172 PolarHBondContact O-N 3.18Å; Y170-Y172 PolarHBondContact O-N 3.14Å |
| 173 | S | 79.6 | Confident | 74.8 | Confident | 18 Ų | 18 | 55.7 Ų | 55.7 | 13% | 0.126 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -107.5 | 3.3 | -177.4 | -49.8 | 0 | 0 | 0 | 0 | 113.6 | Y169 Y170 A175 R176 S177 | Y169-S173 WeakPolarHBondContact CE2-OG 3.31Å; Y169-S173 WeakPolarHBondContact O-CB 3.28Å; Y169-S173 PolarHBondContact O-N 3.45Å; Y169-S173 PolarHBondContact O-OG 3.41Å; Y170-S173 PolarHBondContact O-N 3.34Å; S173-A175 PolarHBondContact O-N 2.89Å; S173-R176 WeakPolarHBondContact O-CA 3.33Å; S173-R176 PolarHBondContact O-N 3.11Å; S173-S177 PolarHBondContact O-N 3.05Å |
| 174 | A | 61.1 | Low | 74.4 | Confident | 59 Ų | 59 | 61.1 Ų | 61.1 | 49% | 0.488 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -15.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y170 S177 | Y170-A174 PolarHBondContact O-N 3.39Å; Y170-A174 VanDerWaalsContact O-N 3.11Å; A174-S177 WeakPolarHBondContact CA-OG 3.44Å; A174-S177 PolarHBondContact O-OG 3.18Å |
| 175 | A | 51.8 | Low | 74.2 | Confident | 99 Ų | 99 | 63.4 Ų | 63.4 | 82% | 0.818 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | -11.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | S173 | S173-A175 PolarHBondContact O-N 2.89Š|
| 176 | R | 52.3 | Low | 74.1 | Confident | 227 Ų | 227 | 63.3 Ų | 63.3 | 86% | 0.857 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.5 | -7.5 | -178.9 | -72.9 | -172.7 | 177.1 | 177.8 | 0 | 113.8 | S173 S178 | S173-R176 WeakPolarHBondContact O-CA 3.33Å; S173-R176 PolarHBondContact O-N 3.11Å; R176-S178 VanDerWaalsContact C-N 3.33Å; R176-S178 PolarHBondContact O-N 3.49Å |
| 177 | S | 47.1 | Very low | 74.1 | Confident | 65 Ų | 65 | 63.8 Ų | 63.8 | 46% | 0.455 | 37% | 0.367 | S | S | . | . | trans | -71.9 | 88.6 | 173.7 | 39.6 | 0 | 0 | 0 | 0 | 109.9 | S173 A174 | S173-S177 PolarHBondContact O-N 3.05Å; A174-S177 WeakPolarHBondContact CA-OG 3.44Å; A174-S177 PolarHBondContact O-OG 3.18Å | ||
| 178 | S | 44.3 | Very low | 74.1 | Confident | 81 Ų | 81 | 69.6 Ų | 69.6 | 57% | 0.566 | 39% | 0.393 | S | S | * | . | trans | -53.7 | 153.6 | 152.5 | 48.1 | 0 | 0 | 0 | 0 | 109.4 | R176 D180 S181 | R176-S178 VanDerWaalsContact C-N 3.33Å; R176-S178 PolarHBondContact O-N 3.49Å; S178-D180 PolarHBondContact O-N 2.84Å; S178-S181 PolarHBondContact O-N 3.32Å | ||
| 179 | A | 47.3 | Very low | 74.1 | Confident | 110 Ų | 110 | 69.7 Ų | 69.7 | 91% | 0.909 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | 11.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 180 | D | 48.7 | Very low | 74.2 | Confident | 144 Ų | 144 | 67.8 Ų | 67.8 | 77% | 0.77 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.1 | 13 | -175 | -74.6 | -30.6 | 0 | 0 | 0 | 113.7 | S178 N182 | S178-D180 PolarHBondContact O-N 2.84Å; D180-N182 PolarHBondContact O-N 3.43Å |
| 181 | S | 61.2 | Low | 74.5 | Confident | 54 Ų | 54 | 70.2 Ų | 70.2 | 38% | 0.378 | 39% | 0.394 | S | S | . | . | trans | -79.7 | 117.4 | 176 | 60 | 0 | 0 | 0 | 0 | 111.2 | S178 M183 | S178-S181 PolarHBondContact O-N 3.32Å; S181-M183 PolarHBondContact O-N 3Å | ||
| 182 | N | 76.3 | Confident | 74.6 | Confident | 80 Ų | 80 | 70.9 Ų | 70.9 | 43% | 0.428 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | 33.8 | 171.1 | -63.7 | -23.3 | 0 | 0 | 0 | 113 | D180 D184 D185 I186 | D180-N182 PolarHBondContact O-N 3.43Å; N182-D184 VanDerWaalsContact C-N 3.35Å; N182-D184 PolarHBondContact O-N 3.5Å; N182-D185 PolarHBondContact O-N 3.49Å; N182-I186 HydrophobicContact CB-CD1 4.47Å; N182-I186 WeakPolarHBondContact O-CD1 3.49Å; N182-I186 WeakPolarHBondContact O-CG1 3.45Å; N182-I186 PolarHBondContact O-N 3.45Å |
| 183 | M | 83.7 | Confident | 74.8 | Confident | 11 Ų | 11 | 71.5 Ų | 71.5 | 5% | 0.054 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -60.5 | -43.7 | -172.8 | -177 | 65.3 | 76.8 | 0 | 0 | 111.5 | Y96 Y169 Y170 S181 D185 I186 C187 | Y96-M183 HydrophobicContact CD2-CE 4.11Å; Y96-M183 HydrophobicContact CD2-SD 4.31Å; Y96-M183 HydrophobicContact CE2-CE 3.5Å; Y96-M183 HydrophobicContact CE2-SD 3.67Å; Y169-M183 HydrophobicContact CD1-CE 3.5Å; Y169-M183 HydrophobicContact CE1-CE 3.73Å; Y170-M183 HydrophobicContact CD2-CE 4.38Å; Y170-M183 HydrophobicContact CD2-CG 4.2Å; S181-M183 PolarHBondContact O-N 3Å; M183-D185 VanDerWaalsContact C-N 3.34Å; M183-D185 PolarHBondContact O-N 2.54Å; M183-I186 PolarHBondContact O-N 2.79Å; M183-C187 WeakPolarHBondContact O-CB 3.46Å; M183-C187 PolarHBondContact O-N 3.19Å; M183-C187 PolarHBondContact O-SG 2.75Å |
| 184 | D | 86.3 | Confident | 75.3 | Confident | 134 Ų | 134 | 73 Ų | 73 | 72% | 0.717 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -62.7 | -41.9 | -178.3 | -70.7 | -24.8 | 0 | 0 | 0 | 111.7 | N182 C187 K188 | N182-D184 VanDerWaalsContact C-N 3.35Å; N182-D184 PolarHBondContact O-N 3.5Å; D184-C187 PolarHBondContact O-N 3.31Å; D184-K188 VanDerWaalsContact O-CB 3.3Å; D184-K188 WeakPolarHBondContact O-CB 3.31Å; D184-K188 PolarHBondContact O-N 2.67Å |
| 185 | D | 90.3 | Very high | 76.6 | Confident | 76 Ų | 76 | 73.6 Ų | 73.6 | 41% | 0.406 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -68.7 | -39.4 | 177.3 | -66 | -43.4 | 0 | 0 | 0 | 111.9 | H103 N182 M183 K188 L189 | H103-D185 WeakPolarHBondContact NE2-CB 3.34Å; N182-D185 PolarHBondContact O-N 3.49Å; M183-D185 VanDerWaalsContact C-N 3.34Å; M183-D185 PolarHBondContact O-N 2.54Å; D185-K188 PolarHBondContact O-N 2.98Å; D185-L189 WeakPolarHBondContact O-CB 3.43Å; D185-L189 PolarHBondContact O-N 3.33Å |
| 186 | I | 91.9 | Very high | 78.2 | Confident | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -63.6 | -46.3 | 174.5 | -65.7 | 163.3 | 0 | 0 | 0 | 110.3 | Y96 F99 Q100 H103 L166 N182 M183 K188 L189 L190 | Y96-I186 HydrophobicContact CE2-CD1 3.81Å; F99-I186 HydrophobicContact CB-CG2 4.16Å; Q100-I186 HydrophobicContact CB-CD1 3.88Å; Q100-I186 HydrophobicContact CG-CD1 4.01Å; H103-I186 HydrophobicContact CB-CG1 4.03Å; L166-I186 HydrophobicContact CD2-CG2 4.16Å; N182-I186 HydrophobicContact CB-CD1 4.47Å; N182-I186 WeakPolarHBondContact O-CD1 3.49Å; N182-I186 WeakPolarHBondContact O-CG1 3.45Å; N182-I186 PolarHBondContact O-N 3.45Å; M183-I186 PolarHBondContact O-N 2.79Å; I186-K188 VanDerWaalsContact C-N 3.34Å; I186-K188 PolarHBondContact O-N 3.34Å; I186-L189 PolarHBondContact O-N 3.26Å; I186-L190 HydrophobicContact CG2-CD1 3.83Å; I186-L190 WeakPolarHBondContact O-CB 3.09Å; I186-L190 PolarHBondContact O-N 3.19Å |
| 187 | C | 91.4 | Very high | 79.5 | Confident | 11 Ų | 11 | 63.2 Ų | 63.2 | 7% | 0.074 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -63 | -39.7 | 175.9 | -78.1 | 0 | 0 | 0 | 0 | 111.7 | F58 M183 D184 L190 R191 | F58-C187 HydrophobicContact CE1-CB 4.45Å; F58-C187 HydrophobicContact CE2-CB 4.16Å; F58-C187 WeakPolarHBondContact CE2-O 3.18Å; F58-C187 HydrophobicContact CZ-CB 3.79Å; M183-C187 WeakPolarHBondContact O-CB 3.46Å; M183-C187 PolarHBondContact O-N 3.19Å; M183-C187 PolarHBondContact O-SG 2.75Å; D184-C187 PolarHBondContact O-N 3.31Å; C187-L190 PolarHBondContact O-N 2.57Å; C187-R191 PolarHBondContact O-N 3.24Å |
| 188 | K | 92 | Very high | 81 | Confident | 122 Ų | 122 | 65.1 Ų | 65.1 | 53% | 0.53 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.3 | -47.9 | 174 | -176.2 | -174.9 | 177.2 | -168.3 | 0 | 110.6 | D184 D185 I186 L190 R214 | D184-K188 VanDerWaalsContact O-CB 3.3Å; D184-K188 WeakPolarHBondContact O-CB 3.31Å; D184-K188 PolarHBondContact O-N 2.67Å; D185-K188 PolarHBondContact O-N 2.98Å; I186-K188 VanDerWaalsContact C-N 3.34Å; I186-K188 PolarHBondContact O-N 3.34Å; K188-L190 PolarHBondContact O-N 3.13Å; K188-R214 WeakPolarHBondContact O-CD 3.19Å |
| 189 | L | 94 | Very high | 82.3 | Confident | 2 Ų | 2 | 66.7 Ų | 66.7 | 1% | 0.01 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -61.8 | -42.5 | 178.5 | 179.6 | 59.3 | 0 | 0 | 0 | 111.7 | V102 H103 L150 D185 I186 Y211 R214 V215 | V102-L189 HydrophobicContact CG1-CD2 4.23Å; H103-L189 HydrophobicContact CB-CD2 4.12Å; L150-L189 HydrophobicContact CD2-CD1 3.9Å; D185-L189 WeakPolarHBondContact O-CB 3.43Å; D185-L189 PolarHBondContact O-N 3.33Å; I186-L189 PolarHBondContact O-N 3.26Å; L189-Y211 HydrophobicContact CD1-CE2 4.23Å; L189-Y211 WeakPolarHBondContact O-CE2 3.25Å; L189-R214 HydrophobicContact CD1-CB 4.34Å; L189-R214 PolarHBondContact O-NH1 3.5Å; L189-V215 HydrophobicContact CD1-CG2 4.12Å |
| 190 | L | 93.8 | Very high | 83.4 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -99.7 | 5.6 | -170 | -65.9 | 174.5 | 0 | 0 | 0 | 115.9 | F99 I153 L166 I186 C187 K188 | F99-L190 HydrophobicContact CB-CD1 3.32Å; F99-L190 HydrophobicContact CD1-CD1 3.56Å; F99-L190 HydrophobicContact CD1-CD2 4.4Å; F99-L190 HydrophobicContact CD2-CD1 3.7Å; F99-L190 HydrophobicContact CE1-CD1 4.31Å; F99-L190 HydrophobicContact CE2-CD1 4.42Å; F99-L190 HydrophobicContact CG-CD1 3.22Å; I153-L190 HydrophobicContact CD1-CD2 4.03Å; I153-L190 HydrophobicContact CG2-CD2 3.94Å; L166-L190 HydrophobicContact CD1-CB 4.03Å; L166-L190 HydrophobicContact CD1-CD1 4.18Å; I186-L190 HydrophobicContact CG2-CD1 3.83Å; I186-L190 WeakPolarHBondContact O-CB 3.09Å; I186-L190 PolarHBondContact O-N 3.19Å; C187-L190 PolarHBondContact O-N 2.57Å; K188-L190 PolarHBondContact O-N 3.13Å |
| 191 | R | 93.3 | Very high | 84.8 | Confident | 142 Ų | 142 | 58.9 Ų | 58.9 | 54% | 0.536 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -50.7 | 140.8 | 173.7 | -176.6 | 174.4 | -66.9 | -139.8 | -1.1 | 111.7 | F58 C187 T193 R214 | F58-R191 HydrophobicContact CD2-CB 4.32Å; F58-R191 HydrophobicContact CD2-CG 4.16Å; F58-R191 HydrophobicContact CE2-CB 3.94Å; F58-R191 HydrophobicContact CE2-CG 4.29Å; C187-R191 PolarHBondContact O-N 3.24Å; R191-T193 PolarHBondContact O-N 2.92Å; R191-R214 PolarHBondContact O-NH1 2.98Å; R191-R214 PolarHBondContact O-NH2 3.45Å |
| 192 | S | 92.8 | Very high | 85.8 | Confident | 42 Ų | 42 | 65.5 Ų | 65.5 | 29% | 0.294 | 37% | 0.365 | S | S | . | . | trans | -50.6 | 128 | 177.8 | -174.8 | 0 | 0 | 0 | 0 | 111.3 | E163 G194 | E163-S192 WeakPolarHBondContact OE1-CB 3Å; E163-S192 PolarHBondContact OE1-N 2.95Å; S192-G194 PolarHBondContact OG-N 3.25Å | ||
| 193 | T | 92.1 | Very high | 86.2 | Confident | 24 Ų | 24 | 65.4 Ų | 65.4 | 15% | 0.147 | 36% | 0.359 | C | S | . | . | trans | -88 | -10.4 | 175.9 | 56.6 | 0 | 0 | 0 | 0 | 111.9 | D154 R191 Y195 P204 Y207 Y211 | D154-T193 WeakPolarHBondContact OD2-CB 3.49Å; D154-T193 WeakPolarHBondContact OD2-CG2 3.45Å; D154-T193 PolarHBondContact OD2-OG1 3.21Å; R191-T193 PolarHBondContact O-N 2.92Å; T193-Y195 PolarHBondContact O-N 3.35Å; T193-Y195 VanDerWaalsContact OG1-CB 3.31Å; T193-Y195 WeakPolarHBondContact OG1-CB 3.22Å; T193-Y195 PolarHBondContact OG1-N 3.02Å; T193-P204 WeakPolarHBondContact O-CB 3.45Å; T193-P204 WeakPolarHBondContact O-CG 3.24Å; T193-Y207 HydrophobicContact CG2-CD2 4.35Å; T193-Y207 HydrophobicContact CG2-CE2 4.25Å; T193-Y211 HydrophobicContact CG2-CD1 3.87Å; T193-Y211 HydrophobicContact CG2-CD2 4.25Å; T193-Y211 HydrophobicContact CG2-CE1 4.34Å; T193-Y211 HydrophobicContact CG2-CG 3.81Å | ||
| 194 | G | 88.6 | Confident | 86.5 | Confident | 51 Ų | 51 | 65.9 Ų | 65.9 | 53% | 0.526 | 36% | 0.362 | S | S | . | . | trans | 75.5 | -0.1 | -167.6 | 0 | 0 | 0 | 0 | 0 | 114 | S192 P204 | S192-G194 PolarHBondContact OG-N 3.25Å; G194-P204 WeakPolarHBondContact O-CG 3.38Å | ||
| 195 | Y | 89.6 | Confident | 86.5 | Confident | 70 Ų | 70 | 64.9 Ų | 64.9 | 28% | 0.275 | 36% | 0.363 | S | S | . | . | trans | -68.5 | 141.7 | 176 | 177.8 | -97.9 | 0 | 0 | 0 | 110.7 | D154 T193 Y207 | D154-Y195 HydrophobicContact CB-CD1 3.95Å; T193-Y195 PolarHBondContact O-N 3.35Å; T193-Y195 VanDerWaalsContact OG1-CB 3.31Å; T193-Y195 WeakPolarHBondContact OG1-CB 3.22Å; T193-Y195 PolarHBondContact OG1-N 3.02Å; Y195-Y207 AromaticContact CD2-CD1 3.97Å; Y195-Y207 HydrophobicContact CD2-CD1 3.97Å; Y195-Y207 AromaticContact CD2-CE1 3.39Å; Y195-Y207 HydrophobicContact CD2-CE1 3.39Å; Y195-Y207 AromaticContact CD2-CZ 3.76Å; Y195-Y207 AromaticContact CE2-CE1 3.89Å; Y195-Y207 HydrophobicContact CE2-CE1 3.89Å; Y195-Y207 AromaticContact CG-CE1 3.9Å; Y195-Y207 HydrophobicContact CG-CE1 3.9Å; Y195-Y207 HydrophobicContact CG-CE2 4.32Å; Y195-Y207 AromaticContact CG-CZ 3.74Å | ||
| 196 | S | 85.1 | Confident | 86.5 | Confident | 49 Ų | 49 | 66.5 Ų | 66.5 | 34% | 0.343 | 37% | 0.372 | S | S | . | . | trans | -139.7 | 133.7 | 174.6 | 176.2 | 0 | 0 | 0 | 0 | 109.6 | Q198 A201 | S196-Q198 PolarHBondContact O-N 3.05Å; S196-Q198 PolarHBondContact OG-N 2.84Å; S196-A201 WeakPolarHBondContact O-CB 3.45Å | ||
| 197 | S | 79.3 | Confident | 86.5 | Confident | 60 Ų | 60 | 67.2 Ų | 67.2 | 42% | 0.42 | 38% | 0.375 | S | S | . | . | trans | -82.7 | 3.5 | 176.8 | 52.7 | 0 | 0 | 0 | 0 | 113.3 | Q155 | Q155-S197 PolarHBondContact O-OG 2.89Š| ||
| 198 | Q | 79.8 | Confident | 86.6 | Confident | 104 Ų | 104 | 66.9 Ų | 66.9 | 49% | 0.486 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -70.9 | 140.4 | 178.8 | -66.3 | -63.5 | -33.8 | 0 | 0 | 111.7 | S196 G200 A201 | S196-Q198 PolarHBondContact O-N 3.05Å; S196-Q198 PolarHBondContact OG-N 2.84Å; Q198-G200 PolarHBondContact O-N 3.18Å; Q198-A201 VanDerWaalsContact O-CB 3.22Å; Q198-A201 WeakPolarHBondContact O-CB 3.17Å; Q198-A201 PolarHBondContact O-N 2.71Å |
| 199 | P | 70.5 | Confident | 86.6 | Confident | 115 Ų | 115 | 61.9 Ų | 61.9 | 75% | 0.747 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | 128.3 | 177.1 | -25.3 | 33.8 | 0 | 0 | 0 | 112.3 | A201 | P199-A201 VanDerWaalsContact C-N 3.33Š|
| 200 | G | 70.3 | Confident | 86.6 | Confident | 43 Ų | 43 | 64.2 Ų | 64.2 | 44% | 0.443 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82 | 2.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q198 | Q198-G200 PolarHBondContact O-N 3.18Š|
| 201 | A | 79.2 | Confident | 86.7 | Confident | 47 Ų | 47 | 64.2 Ų | 64.2 | 39% | 0.388 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 136.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | S196 Q198 P199 | S196-A201 WeakPolarHBondContact O-CB 3.45Å; Q198-A201 VanDerWaalsContact O-CB 3.22Å; Q198-A201 WeakPolarHBondContact O-CB 3.17Å; Q198-A201 PolarHBondContact O-N 2.71Å; P199-A201 VanDerWaalsContact C-N 3.33Å |
| 202 | K | 81 | Confident | 86.8 | Confident | 192 Ų | 192 | 57.5 Ų | 57.5 | 84% | 0.835 | 34% | 0.342 | S | S | * | . | P | Polyproline II helix | trans | -80.8 | 136.2 | 176.6 | -70.2 | -175.1 | 178.8 | 179.9 | 0 | 110.2 | ||
| 203 | R | 84.4 | Confident | 86.8 | Confident | 79 Ų | 79 | 61 Ų | 61 | 30% | 0.298 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -60.6 | 129.5 | 171.5 | -174.8 | 176.9 | 177.7 | 169.5 | -1.2 | 110.4 | Y207 A303 Y307 | R203-Y207 HydrophobicContact CG-CD1 4.26Å; R203-Y207 PolarHBondContact NE-O 3.33Å; R203-Y207 PolarHBondContact NH2-O 3.42Å; R203-A303 PolarHBondContact NH1-O 3.48Å; R203-Y307 PolarHBondContact NH2-OH 3.3Å |
| 204 | P | 89.8 | Confident | 87 | Confident | 20 Ų | 20 | 62 Ų | 62 | 13% | 0.13 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -62.9 | 152.6 | 174.7 | -21.1 | 32.3 | 0 | 0 | 0 | 112.2 | T193 G194 Y207 | T193-P204 WeakPolarHBondContact O-CB 3.45Å; T193-P204 WeakPolarHBondContact O-CG 3.24Å; G194-P204 WeakPolarHBondContact O-CG 3.38Å; P204-Y207 PolarHBondContact O-N 2.95Å |
| 205 | P | 87.8 | Confident | 87.2 | Confident | 114 Ų | 114 | 60.6 Ų | 60.6 | 74% | 0.74 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | 142 | 173.5 | 28.7 | -34.3 | 0 | 0 | 0 | 110.7 | Y207 | P205-Y207 PolarHBondContact O-N 3.29Š|
| 206 | N | 89.1 | Confident | 87.4 | Confident | 110 Ų | 110 | 62.2 Ų | 62.2 | 59% | 0.588 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.5 | 22.8 | 179.2 | -50.1 | -33.8 | 0 | 0 | 0 | 115.2 | E209 S210 | N206-E209 VanDerWaalsContact CA-OE1 3.25Å; N206-E209 WeakPolarHBondContact CA-OE1 3.45Å; N206-E209 HydrophobicContact CB-CG 4.45Å; N206-E209 VanDerWaalsContact O-CD 3.26Å; N206-E209 WeakPolarHBondContact O-CG 3.18Å; N206-E209 PolarHBondContact O-N 3.01Å; N206-S210 VanDerWaalsContact O-CB 3.24Å; N206-S210 WeakPolarHBondContact O-CB 3.24Å; N206-S210 PolarHBondContact O-N 2.88Å; N206-S210 PolarHBondContact O-OG 3.49Å |
| 207 | Y | 92.1 | Very high | 87.8 | Confident | 15 Ų | 15 | 60.7 Ų | 60.7 | 6% | 0.059 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | 138.9 | 174.2 | 176.6 | -92.1 | 0 | 0 | 0 | 109.9 | D154 T193 Y195 R203 P204 P205 Y211 | D154-Y207 WeakPolarHBondContact OD2-CE2 3.37Å; T193-Y207 HydrophobicContact CG2-CD2 4.35Å; T193-Y207 HydrophobicContact CG2-CE2 4.25Å; Y195-Y207 AromaticContact CD2-CD1 3.97Å; Y195-Y207 HydrophobicContact CD2-CD1 3.97Å; Y195-Y207 AromaticContact CD2-CE1 3.39Å; Y195-Y207 HydrophobicContact CD2-CE1 3.39Å; Y195-Y207 AromaticContact CD2-CZ 3.76Å; Y195-Y207 AromaticContact CE2-CE1 3.89Å; Y195-Y207 HydrophobicContact CE2-CE1 3.89Å; Y195-Y207 AromaticContact CG-CE1 3.9Å; Y195-Y207 HydrophobicContact CG-CE1 3.9Å; Y195-Y207 HydrophobicContact CG-CE2 4.32Å; Y195-Y207 AromaticContact CG-CZ 3.74Å; R203-Y207 HydrophobicContact CG-CD1 4.26Å; R203-Y207 PolarHBondContact NE-O 3.33Å; R203-Y207 PolarHBondContact NH2-O 3.42Å; P204-Y207 PolarHBondContact O-N 2.95Å; P205-Y207 PolarHBondContact O-N 3.29Å; Y207-Y211 HydrophobicContact CE2-CD1 4.1Å |
| 208 | P | 93.4 | Very high | 88.6 | Confident | 4 Ų | 4 | 60.6 Ų | 60.6 | 3% | 0.026 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -91.2 | 0.4 | 2.9 | 37.2 | -36.5 | 0 | 0 | 0 | 114.9 | L151 S210 Y211 F212 Y263 | L151-P208 HydrophobicContact CD2-CB 4.19Å; P208-S210 VanDerWaalsContact C-N 3.34Å; P208-S210 PolarHBondContact O-N 2.81Å; P208-Y211 WeakPolarHBondContact O-CA 3.36Å; P208-Y211 WeakPolarHBondContact O-CB 3.27Å; P208-Y211 PolarHBondContact O-N 2.92Å; P208-F212 HydrophobicContact CB-CD2 4.02Å; P208-F212 HydrophobicContact CB-CE2 3.9Å; P208-F212 HydrophobicContact CG-CE2 4.44Å; P208-F212 WeakPolarHBondContact O-CD2 3.49Å; P208-F212 PolarHBondContact O-N 2.97Å; P208-Y263 HydrophobicContact CG-CD1 3.6Å; P208-Y263 HydrophobicContact CG-CD2 3.85Å; P208-Y263 HydrophobicContact CG-CE1 3.77Å; P208-Y263 HydrophobicContact CG-CE2 4.01Å; P208-Y263 HydrophobicContact CG-CG 3.65Å |
| 209 | E | 93.1 | Very high | 89.3 | Confident | 16 Ų | 16 | 63.6 Ų | 63.6 | 8% | 0.075 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.1 | -40.5 | -172.4 | 60.9 | -86.5 | -152.8 | 0 | 0 | 113.2 | N206 Y211 F212 Q213 P266 Y307 | N206-E209 VanDerWaalsContact CA-OE1 3.25Å; N206-E209 WeakPolarHBondContact CA-OE1 3.45Å; N206-E209 HydrophobicContact CB-CG 4.45Å; N206-E209 VanDerWaalsContact O-CD 3.26Å; N206-E209 WeakPolarHBondContact O-CG 3.18Å; N206-E209 PolarHBondContact O-N 3.01Å; E209-Y211 PolarHBondContact O-N 2.89Å; E209-F212 PolarHBondContact O-N 3.26Å; E209-Q213 WeakPolarHBondContact O-CB 3.38Å; E209-Q213 WeakPolarHBondContact O-CG 3.36Å; E209-Q213 PolarHBondContact O-N 3.45Å; E209-P266 HydrophobicContact CB-CB 4.04Å; E209-P266 HydrophobicContact CB-CG 4.13Å; E209-P266 HydrophobicContact CG-CB 4.43Å; E209-Y307 PolarHBondContact OE2-OH 3.29Å |
| 210 | S | 93.8 | Very high | 90.4 | Very high | 51 Ų | 51 | 61.5 Ų | 61.5 | 36% | 0.357 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -66.8 | -26 | 176.2 | 60.4 | 0 | 0 | 0 | 0 | 113.3 | N206 P208 R214 | N206-S210 VanDerWaalsContact O-CB 3.24Å; N206-S210 WeakPolarHBondContact O-CB 3.24Å; N206-S210 PolarHBondContact O-N 2.88Å; N206-S210 PolarHBondContact O-OG 3.49Å; P208-S210 VanDerWaalsContact C-N 3.34Å; P208-S210 PolarHBondContact O-N 2.81Å; S210-R214 WeakPolarHBondContact O-CG 3.4Å |
| 211 | Y | 94.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -76.3 | -43.6 | 174.1 | -177.1 | -161.2 | 0 | 0 | 0 | 110.4 | L150 D154 L189 T193 Y207 P208 E209 Q213 R214 | L150-Y211 HydrophobicContact CB-CD1 4.22Å; L150-Y211 HydrophobicContact CB-CE1 3.7Å; L150-Y211 HydrophobicContact CB-CE2 4.48Å; L150-Y211 HydrophobicContact CD2-CE1 4.47Å; L150-Y211 HydrophobicContact CD2-CE2 3.85Å; L150-Y211 VanDerWaalsContact O-CE1 3.28Å; L150-Y211 WeakPolarHBondContact O-CE1 3.28Å; D154-Y211 HydrophobicContact CB-CE1 4.29Å; D154-Y211 VanDerWaalsContact CG-CE1 3.48Å; D154-Y211 VanDerWaalsContact OD1-CE1 3.31Å; D154-Y211 WeakPolarHBondContact OD1-CE1 3.26Å; L189-Y211 HydrophobicContact CD1-CE2 4.23Å; L189-Y211 WeakPolarHBondContact O-CE2 3.25Å; T193-Y211 HydrophobicContact CG2-CD1 3.87Å; T193-Y211 HydrophobicContact CG2-CD2 4.25Å; T193-Y211 HydrophobicContact CG2-CE1 4.34Å; T193-Y211 HydrophobicContact CG2-CG 3.81Å; Y207-Y211 HydrophobicContact CE2-CD1 4.1Å; P208-Y211 WeakPolarHBondContact O-CA 3.36Å; P208-Y211 WeakPolarHBondContact O-CB 3.27Å; P208-Y211 PolarHBondContact O-N 2.92Å; E209-Y211 PolarHBondContact O-N 2.89Å; Y211-Q213 VanDerWaalsContact C-N 3.26Å; Y211-Q213 PolarHBondContact O-N 3.15Å; Y211-R214 WeakPolarHBondContact O-CB 3.35Å; Y211-R214 WeakPolarHBondContact O-CG 3.47Å; Y211-R214 PolarHBondContact O-N 3.13Å |
| 212 | F | 95.4 | Very high | 92.5 | Very high | 1 Ų | 1 | 57.7 Ų | 57.7 | 0% | 0.004 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.4 | -30.5 | 178.8 | -80.4 | -134 | 0 | 0 | 0 | 112 | L150 L151 P208 E209 R214 V260 F264 | L150-F212 HydrophobicContact CB-CE2 4.12Å; L150-F212 HydrophobicContact CD1-CD2 3.95Å; L150-F212 HydrophobicContact CD1-CE2 4.2Å; L150-F212 HydrophobicContact CD1-CG 4.27Å; L151-F212 HydrophobicContact CD1-CZ 4.2Å; L151-F212 HydrophobicContact CD2-CE2 4.05Å; L151-F212 HydrophobicContact CD2-CZ 4.27Å; L151-F212 HydrophobicContact CG-CE2 4.1Å; L151-F212 HydrophobicContact CG-CZ 3.95Å; P208-F212 HydrophobicContact CB-CD2 4.02Å; P208-F212 HydrophobicContact CB-CE2 3.9Å; P208-F212 HydrophobicContact CG-CE2 4.44Å; P208-F212 WeakPolarHBondContact O-CD2 3.49Å; P208-F212 PolarHBondContact O-N 2.97Å; E209-F212 PolarHBondContact O-N 3.26Å; F212-R214 VanDerWaalsContact C-N 3.29Å; F212-R214 PolarHBondContact O-N 3.19Å; F212-V260 HydrophobicContact CE1-CG1 4.06Å; F212-V260 HydrophobicContact CZ-CG1 4.28Å; F212-F264 HydrophobicContact CB-CD1 4.12Å; F212-F264 HydrophobicContact CB-CE1 4.04Å; F212-F264 AromaticContact CD1-CD1 3.91Å; F212-F264 HydrophobicContact CD1-CD1 3.91Å; F212-F264 AromaticContact CD1-CD2 3.86Å; F212-F264 HydrophobicContact CD1-CD2 3.86Å; F212-F264 AromaticContact CD1-CE1 3.6Å; F212-F264 HydrophobicContact CD1-CE1 3.6Å; F212-F264 AromaticContact CD1-CE2 3.55Å; F212-F264 HydrophobicContact CD1-CE2 3.55Å; F212-F264 HydrophobicContact CD1-CG 4.02Å; F212-F264 AromaticContact CD1-CZ 3.4Å; F212-F264 HydrophobicContact CD1-CZ 3.4Å; F212-F264 HydrophobicContact CE1-CD2 4.23Å; F212-F264 HydrophobicContact CE1-CE1 4.42Å; F212-F264 AromaticContact CE1-CE2 3.67Å; F212-F264 HydrophobicContact CE1-CE2 3.67Å; F212-F264 AromaticContact CE1-CZ 3.77Å; F212-F264 HydrophobicContact CE1-CZ 3.77Å; F212-F264 HydrophobicContact CG-CD1 4.49Å; F212-F264 HydrophobicContact CG-CE1 4.15Å; F212-F264 HydrophobicContact CG-CZ 4.28Å |
| 213 | Q | 94.4 | Very high | 93.2 | Very high | 115 Ų | 115 | 51.4 Ų | 51.4 | 54% | 0.537 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -6.5 | 177.8 | -74.4 | 172.2 | 0.9 | 0 | 0 | 115 | E209 Y211 V215 | E209-Q213 WeakPolarHBondContact O-CB 3.38Å; E209-Q213 WeakPolarHBondContact O-CG 3.36Å; E209-Q213 PolarHBondContact O-N 3.45Å; Y211-Q213 VanDerWaalsContact C-N 3.26Å; Y211-Q213 PolarHBondContact O-N 3.15Å; Q213-V215 VanDerWaalsContact C-N 3.26Å; Q213-V215 PolarHBondContact O-N 3.43Å |
| 214 | R | 94.6 | Very high | 93.7 | Very high | 46 Ų | 46 | 49.9 Ų | 49.9 | 17% | 0.174 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -30.7 | -174.3 | -69.2 | -174.8 | -176.6 | 175.4 | -7.2 | 113.5 | K188 L189 R191 S210 Y211 F212 | K188-R214 WeakPolarHBondContact O-CD 3.19Å; L189-R214 HydrophobicContact CD1-CB 4.34Å; L189-R214 PolarHBondContact O-NH1 3.5Å; R191-R214 PolarHBondContact O-NH1 2.98Å; R191-R214 PolarHBondContact O-NH2 3.45Å; S210-R214 WeakPolarHBondContact O-CG 3.4Å; Y211-R214 WeakPolarHBondContact O-CB 3.35Å; Y211-R214 WeakPolarHBondContact O-CG 3.47Å; Y211-R214 PolarHBondContact O-N 3.13Å; F212-R214 VanDerWaalsContact C-N 3.29Å; F212-R214 PolarHBondContact O-N 3.19Å |
| 215 | V | 93.9 | Very high | 94 | Very high | 22 Ų | 22 | 49 Ų | 49 | 13% | 0.133 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -122.6 | 112.9 | 171.9 | -178 | 0 | 0 | 0 | 0 | 107.4 | I106 L189 Q213 | I106-V215 HydrophobicContact CB-CG1 4.49Å; I106-V215 HydrophobicContact CG1-CB 4.33Å; I106-V215 HydrophobicContact CG1-CG1 3.71Å; I106-V215 HydrophobicContact CG2-CB 4.4Å; I106-V215 HydrophobicContact CG2-CG1 3.93Å; I106-V215 HydrophobicContact CG2-CG2 4.4Å; L189-V215 HydrophobicContact CD1-CG2 4.12Å; Q213-V215 VanDerWaalsContact C-N 3.26Å; Q213-V215 PolarHBondContact O-N 3.43Å |
| 216 | P | 92.7 | Very high | 94.4 | Very high | 103 Ų | 103 | 43.7 Ų | 43.7 | 67% | 0.669 | 24% | 0.239 | S | C | * | . | trans | -70.8 | 150.8 | -177 | 29.5 | -34.3 | 0 | 0 | 0 | 111.6 | N110 | N110-P216 PolarHBondContact ND2-O 3.44Š| ||
| 217 | I | 95.2 | Very high | 94.6 | Very high | 17 Ų | 17 | 39.6 Ų | 39.6 | 9% | 0.087 | 22% | 0.223 | C | C | . | . | trans | -128.9 | 150.4 | 176.2 | -52 | 178.9 | 0 | 0 | 0 | 106.9 | I106 L113 L143 Y146 E219 F221 I222 F264 | I106-I217 HydrophobicContact CD1-CD1 3.56Å; I106-I217 HydrophobicContact CD1-CG1 3.8Å; L113-I217 HydrophobicContact CD1-CG2 4.19Å; L143-I217 HydrophobicContact CD1-CD1 3.45Å; L143-I217 VanDerWaalsContact CD1-CD1 3.45Å; Y146-I217 HydrophobicContact CD1-CD1 4.11Å; Y146-I217 HydrophobicContact CE1-CD1 4.28Å; I217-E219 PolarHBondContact O-N 3.35Å; I217-E219 VanDerWaalsContact O-N 3.16Å; I217-F221 HydrophobicContact CG2-CD1 3.88Å; I217-F221 HydrophobicContact CG2-CE1 4.43Å; I217-I222 HydrophobicContact CB-CD1 4.07Å; I217-I222 HydrophobicContact CG2-CD1 4.43Å; I217-I222 HydrophobicContact CG2-CG1 4.36Å; I217-F264 HydrophobicContact CD1-CD1 4.05Å; I217-F264 HydrophobicContact CD1-CE1 3.79Å; I217-F264 HydrophobicContact CD1-CZ 4.39Å | ||
| 218 | N | 94.7 | Very high | 94.8 | Very high | 58 Ų | 58 | 42.4 Ų | 42.4 | 31% | 0.31 | 23% | 0.233 | S | C | . | . | trans | -52.6 | 119.5 | 177.9 | -174.3 | -55.7 | 0 | 0 | 0 | 111.9 | L113 S220 F221 I222 | L113-N218 HydrophobicContact CD1-CB 4.44Å; N218-S220 VanDerWaalsContact C-N 3.31Å; N218-S220 PolarHBondContact O-N 3.4Å; N218-S220 WeakPolarHBondContact OD1-CA 3.46Å; N218-S220 WeakPolarHBondContact OD1-CB 3.5Å; N218-S220 PolarHBondContact OD1-N 3.14Å; N218-F221 HydrophobicContact CB-CB 4.08Å; N218-F221 WeakPolarHBondContact O-CB 3.45Å; N218-F221 PolarHBondContact O-N 2.9Å; N218-F221 PolarHBondContact OD1-N 3.45Å; N218-F221 VanDerWaalsContact OD1-N 3.15Å; N218-I222 PolarHBondContact O-N 3.21Å | ||
| 219 | E | 94.6 | Very high | 94.8 | Very high | 168 Ų | 168 | 42.2 Ų | 42.2 | 79% | 0.785 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -64.5 | -33.5 | -177.3 | -65.1 | -175.6 | 173.4 | 0 | 0 | 112.8 | I217 I222 S223 | I217-E219 PolarHBondContact O-N 3.35Å; I217-E219 VanDerWaalsContact O-N 3.16Å; E219-I222 PolarHBondContact O-N 3.42Å; E219-S223 WeakPolarHBondContact O-CB 3.42Å; E219-S223 PolarHBondContact O-N 2.99Å |
| 220 | S | 94.4 | Very high | 94.9 | Very high | 71 Ų | 71 | 43.7 Ų | 43.7 | 50% | 0.497 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.4 | -44.3 | 175.7 | -170.9 | 0 | 0 | 0 | 0 | 110.6 | N218 I222 S223 M224 | N218-S220 VanDerWaalsContact C-N 3.31Å; N218-S220 PolarHBondContact O-N 3.4Å; N218-S220 WeakPolarHBondContact OD1-CA 3.46Å; N218-S220 WeakPolarHBondContact OD1-CB 3.5Å; N218-S220 PolarHBondContact OD1-N 3.14Å; S220-I222 PolarHBondContact O-N 3.02Å; S220-S223 PolarHBondContact O-N 2.79Å; S220-M224 WeakPolarHBondContact O-CB 3.31Å; S220-M224 VanDerWaalsContact O-CG 3.23Å; S220-M224 WeakPolarHBondContact O-CG 3.42Å; S220-M224 PolarHBondContact O-N 2.94Å |
| 221 | F | 96.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -58.4 | -48.9 | 175.4 | 170.3 | -116.8 | 0 | 0 | 0 | 112.1 | L113 L126 L139 L143 I217 N218 S223 M224 V225 | L113-F221 HydrophobicContact CD1-CB 4.15Å; L113-F221 HydrophobicContact CD1-CD1 3.55Å; L113-F221 HydrophobicContact CD1-CE1 4.03Å; L113-F221 HydrophobicContact CD1-CG 3.81Å; L113-F221 HydrophobicContact CD2-CB 4.35Å; L113-F221 HydrophobicContact CD2-CD1 4.23Å; L113-F221 HydrophobicContact CD2-CD2 3.73Å; L113-F221 HydrophobicContact CD2-CE1 4.47Å; L113-F221 HydrophobicContact CD2-CE2 4.01Å; L113-F221 HydrophobicContact CD2-CG 3.83Å; L113-F221 HydrophobicContact CD2-CZ 4.37Å; L126-F221 HydrophobicContact CD1-CD2 3.78Å; L126-F221 HydrophobicContact CD1-CE2 4.26Å; L126-F221 HydrophobicContact CD2-CB 4.1Å; L126-F221 HydrophobicContact CD2-CD2 4.18Å; L139-F221 HydrophobicContact CB-CE2 4.01Å; L139-F221 HydrophobicContact CB-CZ 4.41Å; L139-F221 HydrophobicContact CD1-CE2 4.4Å; L139-F221 HydrophobicContact CD2-CE2 3.87Å; L139-F221 HydrophobicContact CD2-CZ 4.3Å; L139-F221 HydrophobicContact CG-CE2 4.31Å; L143-F221 HydrophobicContact CB-CE1 4.13Å; L143-F221 HydrophobicContact CB-CZ 4.41Å; L143-F221 HydrophobicContact CD1-CE1 4.45Å; L143-F221 HydrophobicContact CD2-CE1 4.24Å; I217-F221 HydrophobicContact CG2-CD1 3.88Å; I217-F221 HydrophobicContact CG2-CE1 4.43Å; N218-F221 HydrophobicContact CB-CB 4.08Å; N218-F221 WeakPolarHBondContact O-CB 3.45Å; N218-F221 PolarHBondContact O-N 2.9Å; N218-F221 PolarHBondContact OD1-N 3.45Å; N218-F221 VanDerWaalsContact OD1-N 3.15Å; F221-S223 PolarHBondContact O-N 2.78Å; F221-M224 PolarHBondContact O-N 3.13Å; F221-V225 HydrophobicContact CD2-CG2 3.86Å; F221-V225 HydrophobicContact CE1-CG2 4.43Å; F221-V225 HydrophobicContact CE2-CG2 3.39Å; F221-V225 HydrophobicContact CZ-CG2 3.72Å; F221-V225 WeakPolarHBondContact O-CG2 3.46Å; F221-V225 PolarHBondContact O-N 3.24Å |
| 222 | I | 96.6 | Very high | 94.5 | Very high | 10 Ų | 10 | 47.6 Ų | 47.6 | 5% | 0.051 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -57.9 | -49.3 | 178 | -64.8 | 161.9 | 0 | 0 | 0 | 110.5 | L143 I217 N218 E219 S220 M224 V225 I226 F264 E265 | L143-I222 HydrophobicContact CD2-CG1 4.12Å; I217-I222 HydrophobicContact CB-CD1 4.07Å; I217-I222 HydrophobicContact CG2-CD1 4.43Å; I217-I222 HydrophobicContact CG2-CG1 4.36Å; N218-I222 PolarHBondContact O-N 3.21Å; E219-I222 PolarHBondContact O-N 3.42Å; S220-I222 PolarHBondContact O-N 3.02Å; I222-M224 VanDerWaalsContact C-N 3.35Å; I222-M224 PolarHBondContact O-N 2.94Å; I222-V225 PolarHBondContact O-N 3.08Å; I222-I226 HydrophobicContact CG2-CD1 3.74Å; I222-I226 HydrophobicContact CG2-CG1 4.46Å; I222-I226 WeakPolarHBondContact O-CG1 3.25Å; I222-I226 PolarHBondContact O-N 3.02Å; I222-F264 HydrophobicContact CD1-CB 3.94Å; I222-F264 HydrophobicContact CG1-CB 4.33Å; I222-F264 HydrophobicContact CG2-CB 4.14Å; I222-E265 HydrophobicContact CG2-CB 4.1Å |
| 223 | S | 95.6 | Very high | 94.3 | Very high | 60 Ų | 60 | 49.1 Ų | 49.1 | 42% | 0.42 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.7 | -40.8 | -179.8 | 174.3 | 0 | 0 | 0 | 0 | 112.3 | E219 S220 F221 G227 | E219-S223 WeakPolarHBondContact O-CB 3.42Å; E219-S223 PolarHBondContact O-N 2.99Å; S220-S223 PolarHBondContact O-N 2.79Å; F221-S223 PolarHBondContact O-N 2.78Å; S223-G227 PolarHBondContact O-N 2.68Å |
| 224 | M | 94.9 | Very high | 94.2 | Very high | 47 Ų | 47 | 43.7 Ų | 43.7 | 23% | 0.232 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.6 | -42.6 | 177.4 | -71.2 | 176.7 | 83.6 | 0 | 0 | 112.2 | L126 E127 L130 S220 F221 I222 G227 R228 | L126-M224 HydrophobicContact CD2-CE 4.5Å; L126-M224 HydrophobicContact CD2-SD 3.56Å; L126-M224 VanDerWaalsContact CD2-SD 3.56Å; L126-M224 HydrophobicContact CG-CE 4.27Å; L126-M224 HydrophobicContact CG-SD 3.96Å; E127-M224 HydrophobicContact CB-CE 4.48Å; E127-M224 HydrophobicContact CG-CE 3.79Å; L130-M224 HydrophobicContact CD1-CB 3.72Å; L130-M224 HydrophobicContact CD1-CE 3.51Å; L130-M224 HydrophobicContact CD1-CG 4.46Å; L130-M224 HydrophobicContact CD1-SD 4.16Å; S220-M224 WeakPolarHBondContact O-CB 3.31Å; S220-M224 VanDerWaalsContact O-CG 3.23Å; S220-M224 WeakPolarHBondContact O-CG 3.42Å; S220-M224 PolarHBondContact O-N 2.94Å; F221-M224 PolarHBondContact O-N 3.13Å; I222-M224 VanDerWaalsContact C-N 3.35Å; I222-M224 PolarHBondContact O-N 2.94Å; M224-G227 PolarHBondContact O-N 2.76Å; M224-R228 WeakPolarHBondContact O-CG 3.35Å; M224-R228 PolarHBondContact O-N 3.19Å |
| 225 | V | 96.5 | Very high | 94 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62 | -46.8 | 175.3 | 166.4 | 0 | 0 | 0 | 0 | 110.9 | C140 L143 F221 I222 G227 R228 L229 I261 | C140-V225 HydrophobicContact CB-CG1 4.39Å; L143-V225 HydrophobicContact CD2-CG1 4.35Å; F221-V225 HydrophobicContact CD2-CG2 3.86Å; F221-V225 HydrophobicContact CE1-CG2 4.43Å; F221-V225 HydrophobicContact CE2-CG2 3.39Å; F221-V225 HydrophobicContact CZ-CG2 3.72Å; F221-V225 WeakPolarHBondContact O-CG2 3.46Å; F221-V225 PolarHBondContact O-N 3.24Å; I222-V225 PolarHBondContact O-N 3.08Å; V225-G227 VanDerWaalsContact C-N 3.28Å; V225-G227 PolarHBondContact O-N 3.29Å; V225-R228 PolarHBondContact O-N 2.87Å; V225-L229 HydrophobicContact CG1-CD1 3.81Å; V225-L229 HydrophobicContact CG1-CG 4.39Å; V225-L229 WeakPolarHBondContact O-CB 3.5Å; V225-L229 WeakPolarHBondContact O-CG 3.37Å; V225-L229 PolarHBondContact O-N 2.88Å; V225-I261 HydrophobicContact CG1-CD1 3.88Å; V225-I261 HydrophobicContact CG1-CG2 4.42Å |
| 226 | I | 96.3 | Very high | 93.8 | Very high | 4 Ų | 4 | 47.3 Ų | 47.3 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.8 | -39.9 | 175.2 | -69.9 | 170.6 | 0 | 0 | 0 | 110.9 | I222 R230 L258 I261 E265 I268 | I222-I226 HydrophobicContact CG2-CD1 3.74Å; I222-I226 HydrophobicContact CG2-CG1 4.46Å; I222-I226 WeakPolarHBondContact O-CG1 3.25Å; I222-I226 PolarHBondContact O-N 3.02Å; I226-R230 WeakPolarHBondContact O-CB 3.46Å; I226-R230 VanDerWaalsContact O-CG 3.29Å; I226-R230 WeakPolarHBondContact O-CG 3.25Å; I226-R230 PolarHBondContact O-N 2.93Å; I226-L258 HydrophobicContact CG1-CD1 4.47Å; I226-L258 HydrophobicContact CG2-CD1 4.3Å; I226-I261 HydrophobicContact CD1-CG2 4.05Å; I226-I261 HydrophobicContact CG1-CG2 3.6Å; I226-E265 HydrophobicContact CD1-CB 3.94Å; I226-E265 WeakPolarHBondContact CD1-OE2 3.28Å; I226-I268 HydrophobicContact CD1-CD1 4.13Å; I226-I268 HydrophobicContact CG2-CD1 4.13Å |
| 227 | G | 94.5 | Very high | 93.6 | Very high | 24 Ų | 24 | 44.1 Ų | 44.1 | 25% | 0.247 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58 | -51.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | S223 M224 V225 R230 S231 | S223-G227 PolarHBondContact O-N 2.68Å; M224-G227 PolarHBondContact O-N 2.76Å; V225-G227 VanDerWaalsContact C-N 3.28Å; V225-G227 PolarHBondContact O-N 3.29Å; G227-R230 PolarHBondContact O-N 3.38Å; G227-R230 VanDerWaalsContact O-N 3.09Å; G227-S231 PolarHBondContact O-N 2.98Å; G227-S231 PolarHBondContact O-OG 3.48Å |
| 228 | R | 94.6 | Very high | 93.3 | Very high | 74 Ų | 74 | 46.4 Ų | 46.4 | 28% | 0.279 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.9 | -44.9 | 177.9 | -69.5 | -67.5 | 173.8 | -173.4 | -0.1 | 112.5 | L130 M224 V225 R230 S231 D232 | L130-R228 HydrophobicContact CD2-CG 4.21Å; M224-R228 WeakPolarHBondContact O-CG 3.35Å; M224-R228 PolarHBondContact O-N 3.19Å; V225-R228 PolarHBondContact O-N 2.87Å; R228-R230 PolarHBondContact O-N 3.46Å; R228-S231 PolarHBondContact O-N 2.89Å; R228-D232 WeakPolarHBondContact CD-OD2 3.43Å; R228-D232 IonicContact CZ-OD2 3.87Å; R228-D232 IonicContact NE-OD2 3.95Å; R228-D232 IonicContact NH1-OD2 2.96Å; R228-D232 PolarHBondContact NH1-OD2 3.43Å; R228-D232 PolarHBondContact O-N 3.48Å |
| 229 | L | 94.8 | Very high | 93 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.1 | -20.4 | 175.1 | -71.5 | 171.9 | 0 | 0 | 0 | 112.7 | C140 V225 I234 Q254 M257 L258 I261 Y283 | C140-L229 HydrophobicContact CB-CD2 4.16Å; C140-L229 HydrophobicContact CB-CG 4.49Å; V225-L229 HydrophobicContact CG1-CD1 3.81Å; V225-L229 HydrophobicContact CG1-CG 4.39Å; V225-L229 WeakPolarHBondContact O-CB 3.5Å; V225-L229 WeakPolarHBondContact O-CG 3.37Å; V225-L229 PolarHBondContact O-N 2.88Å; L229-I234 HydrophobicContact CD2-CD1 3.78Å; L229-Q254 HydrophobicContact CD2-CG 3.53Å; L229-Q254 PolarHBondContact O-NE2 3.42Å; L229-M257 HydrophobicContact CD2-CE 4.43Å; L229-L258 HydrophobicContact CB-CD1 4.07Å; L229-L258 HydrophobicContact CD1-CB 4.42Å; L229-L258 HydrophobicContact CD1-CD1 4.27Å; L229-I261 HydrophobicContact CD1-CD1 3.48Å; L229-I261 VanDerWaalsContact CD1-CD1 3.48Å; L229-Y283 VanDerWaalsContact O-CZ 3.27Å; L229-Y283 PolarHBondContact O-OH 3.49Å |
| 230 | R | 94.2 | Very high | 92.8 | Very high | 46 Ų | 46 | 40.5 Ų | 40.5 | 17% | 0.174 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -88.2 | -39.7 | 174.2 | -77.8 | 170.6 | 57.8 | -146.5 | -1.6 | 112.9 | I226 G227 R228 L258 E278 I279 K282 | I226-R230 WeakPolarHBondContact O-CB 3.46Å; I226-R230 VanDerWaalsContact O-CG 3.29Å; I226-R230 WeakPolarHBondContact O-CG 3.25Å; I226-R230 PolarHBondContact O-N 2.93Å; G227-R230 PolarHBondContact O-N 3.38Å; G227-R230 VanDerWaalsContact O-N 3.09Å; R228-R230 PolarHBondContact O-N 3.46Å; R230-L258 HydrophobicContact CG-CD2 4.47Å; R230-E278 IonicContact CZ-OE1 3.37Å; R230-E278 IonicContact CZ-OE2 3.72Å; R230-E278 IonicContact NE-OE1 2.99Å; R230-E278 PolarHBondContact NE-OE1 3.25Å; R230-E278 IonicContact NE-OE2 3.96Å; R230-E278 IonicContact NH2-OE1 2.99Å; R230-E278 PolarHBondContact NH2-OE1 3.48Å; R230-E278 IonicContact NH2-OE2 2.69Å; R230-E278 PolarHBondContact NH2-OE2 2.79Å; R230-I279 HydrophobicContact CG-CD1 4.37Å; R230-I279 HydrophobicContact CG-CG1 3.92Å; R230-K282 WeakPolarHBondContact O-CD 3.42Å; R230-K282 PolarHBondContact O-NZ 3.38Å |
| 231 | S | 90.3 | Very high | 92.6 | Very high | 90 Ų | 90 | 37.9 Ų | 37.9 | 63% | 0.629 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -86.4 | -42.2 | -172.8 | -60.7 | 0 | 0 | 0 | 0 | 113.5 | G227 R228 | G227-S231 PolarHBondContact O-N 2.98Å; G227-S231 PolarHBondContact O-OG 3.48Å; R228-S231 PolarHBondContact O-N 2.89Å |
| 232 | D | 90.9 | Very high | 92.2 | Very high | 43 Ų | 43 | 41.8 Ų | 41.8 | 23% | 0.23 | 24% | 0.24 | C | C | . | . | trans | -100.2 | 160.5 | -165.8 | -57.9 | -16.5 | 0 | 0 | 0 | 111.6 | R228 I234 Q254 K282 | R228-D232 WeakPolarHBondContact CD-OD2 3.43Å; R228-D232 IonicContact CZ-OD2 3.87Å; R228-D232 IonicContact NE-OD2 3.95Å; R228-D232 IonicContact NH1-OD2 2.96Å; R228-D232 PolarHBondContact NH1-OD2 3.43Å; R228-D232 PolarHBondContact O-N 3.48Å; D232-I234 HydrophobicContact CB-CG2 4.04Å; D232-Q254 PolarHBondContact O-NE2 3.32Å; D232-K282 PolarHBondContact O-NZ 3.08Å | ||
| 233 | D | 90.9 | Very high | 91.8 | Very high | 34 Ų | 34 | 44.5 Ų | 44.5 | 18% | 0.182 | 25% | 0.254 | C | S | . | . | trans | -98.2 | 90.8 | 159.8 | 172.9 | 6.8 | 0 | 0 | 0 | 106.6 | Y235 N236 Q237 V238 L251 | D233-Y235 PolarHBondContact O-N 3.44Å; D233-Y235 VanDerWaalsContact O-N 3.15Å; D233-N236 PolarHBondContact O-N 2.76Å; D233-N236 VanDerWaalsContact O-N 3.15Å; D233-N236 PolarHBondContact OD1-N 3.18Å; D233-N236 VanDerWaalsContact OD2-CA 3.26Å; D233-N236 WeakPolarHBondContact OD2-CA 3.25Å; D233-Q237 PolarHBondContact OD1-N 2.95Å; D233-Q237 PolarHBondContact OD2-N 3.43Å; D233-V238 WeakPolarHBondContact OD2-CB 3.26Å; D233-V238 VanDerWaalsContact OD2-CG2 3.25Å; D233-V238 WeakPolarHBondContact OD2-CG2 3.45Å; D233-V238 PolarHBondContact OD2-N 3.23Å; D233-L251 HydrophobicContact CB-CD2 4.29Å | ||
| 234 | I | 92.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -15.6 | -165.3 | 65.5 | 172.9 | 0 | 0 | 0 | 113.3 | K136 Q137 C140 L229 D232 Q254 M257 | K136-I234 HydrophobicContact CD-CG2 4.25Å; K136-I234 HydrophobicContact CG-CB 4.42Å; K136-I234 HydrophobicContact CG-CG2 4.35Å; Q137-I234 HydrophobicContact CG-CB 4.43Å; Q137-I234 VanDerWaalsContact CG-O 3.31Å; Q137-I234 WeakPolarHBondContact CG-O 3.13Å; Q137-I234 PolarHBondContact NE2-O 3.38Å; C140-I234 HydrophobicContact CB-CD1 4.04Å; L229-I234 HydrophobicContact CD2-CD1 3.78Å; D232-I234 HydrophobicContact CB-CG2 4.04Å; I234-Q254 HydrophobicContact CG1-CG 4.38Å; I234-Q254 VanDerWaalsContact N-OE1 3.11Å; I234-M257 HydrophobicContact CD1-CE 3.79Å |
| 235 | Y | 90.2 | Very high | 90.9 | Very high | 58 Ų | 58 | 48.7 Ų | 48.7 | 23% | 0.227 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109 | 1.3 | 177.2 | -64.6 | -62.2 | 0 | 0 | 0 | 113.3 | Q137 E141 D233 Q237 M257 | Q137-Y235 HydrophobicContact CB-CE1 4.23Å; Q137-Y235 HydrophobicContact CG-CD1 3.96Å; Q137-Y235 HydrophobicContact CG-CE1 3.79Å; E141-Y235 WeakPolarHBondContact CG-OH 3.23Å; E141-Y235 PolarHBondContact OE1-OH 3.19Å; D233-Y235 PolarHBondContact O-N 3.44Å; D233-Y235 VanDerWaalsContact O-N 3.15Å; Y235-Q237 PolarHBondContact O-N 3.44Å; Y235-Q237 VanDerWaalsContact O-N 3.14Å; Y235-M257 HydrophobicContact CD2-CE 4.48Å; Y235-M257 HydrophobicContact CE2-CE 3.39Å; Y235-M257 WeakPolarHBondContact OH-CE 3.46Å |
| 236 | N | 89.5 | Confident | 90.7 | Very high | 87 Ų | 87 | 49 Ų | 49 | 47% | 0.465 | 28% | 0.276 | S | S | . | . | trans | 53.2 | 30.4 | -176.7 | -60.4 | -58.6 | 0 | 0 | 0 | 113.7 | E133 D233 V238 S239 | E133-N236 PolarHBondContact OE2-ND2 2.73Å; D233-N236 PolarHBondContact O-N 2.76Å; D233-N236 VanDerWaalsContact O-N 3.15Å; D233-N236 PolarHBondContact OD1-N 3.18Å; D233-N236 VanDerWaalsContact OD2-CA 3.26Å; D233-N236 WeakPolarHBondContact OD2-CA 3.25Å; N236-V238 VanDerWaalsContact C-N 3.32Å; N236-V238 PolarHBondContact O-N 3.28Å; N236-S239 PolarHBondContact O-N 2.87Å; N236-S239 PolarHBondContact O-OG 3.22Å | ||
| 237 | Q | 88.8 | Confident | 90.5 | Very high | 35 Ų | 35 | 54 Ų | 54 | 16% | 0.164 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -73.9 | -20.8 | -174.3 | -75.7 | -173.3 | -1.4 | 0 | 0 | 113.3 | D233 Y235 S239 A240 Y241 A250 I550 | D233-Q237 PolarHBondContact OD1-N 2.95Å; D233-Q237 PolarHBondContact OD2-N 3.43Å; Y235-Q237 PolarHBondContact O-N 3.44Å; Y235-Q237 VanDerWaalsContact O-N 3.14Å; Q237-S239 PolarHBondContact O-N 3.49Å; Q237-A240 WeakPolarHBondContact O-CB 3.35Å; Q237-A240 PolarHBondContact O-N 3.29Å; Q237-Y241 WeakPolarHBondContact O-CD2 3.47Å; Q237-A250 WeakPolarHBondContact CB-O 3.41Å; Q237-A250 PolarHBondContact OE1-O 3.25Å; Q237-I550 HydrophobicContact CG-CG2 4.22Å |
| 238 | V | 88.8 | Confident | 90.4 | Very high | 65 Ų | 65 | 53 Ų | 53 | 39% | 0.394 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -60 | -29.8 | 177.7 | 174.6 | 0 | 0 | 0 | 0 | 111.5 | D233 N236 A240 Y241 A250 L251 | D233-V238 WeakPolarHBondContact OD2-CB 3.26Å; D233-V238 VanDerWaalsContact OD2-CG2 3.25Å; D233-V238 WeakPolarHBondContact OD2-CG2 3.45Å; D233-V238 PolarHBondContact OD2-N 3.23Å; N236-V238 VanDerWaalsContact C-N 3.32Å; N236-V238 PolarHBondContact O-N 3.28Å; V238-A240 VanDerWaalsContact C-N 3.26Å; V238-A240 PolarHBondContact O-N 2.92Å; V238-Y241 CarbonylContact O-C 3.57Å; V238-Y241 PolarHBondContact O-N 3.12Å; V238-Y241 VanDerWaalsContact O-O 3.07Å; V238-A250 HydrophobicContact CG2-CB 4.43Å; V238-L251 HydrophobicContact CG2-CD2 4.14Å; V238-L251 HydrophobicContact CG2-CG 4.45Å |
| 239 | S | 88.3 | Confident | 90.3 | Very high | 100 Ų | 100 | 50.1 Ų | 50.1 | 70% | 0.699 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -60 | -33.9 | 174.6 | 66.1 | 0 | 0 | 0 | 0 | 113.2 | N236 Q237 Y241 | N236-S239 PolarHBondContact O-N 2.87Å; N236-S239 PolarHBondContact O-OG 3.22Å; Q237-S239 PolarHBondContact O-N 3.49Å; S239-Y241 VanDerWaalsContact C-N 3.29Å; S239-Y241 PolarHBondContact O-N 3.19Å |
| 240 | A | 89.5 | Confident | 90.3 | Very high | 2 Ų | 2 | 50.2 Ų | 50.2 | 2% | 0.017 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -77.1 | -16 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q237 V238 R367 T547 I550 | Q237-A240 WeakPolarHBondContact O-CB 3.35Å; Q237-A240 PolarHBondContact O-N 3.29Å; V238-A240 VanDerWaalsContact C-N 3.26Å; V238-A240 PolarHBondContact O-N 2.92Å; A240-R367 PolarHBondContact O-NE 3.08Å; A240-R367 PolarHBondContact O-NH2 2.97Å; A240-T547 HydrophobicContact CB-CG2 4.42Å; A240-I550 HydrophobicContact CB-CB 4.32Å; A240-I550 HydrophobicContact CB-CD1 4.16Å; A240-I550 HydrophobicContact CB-CG2 3.94Å |
| 241 | Y | 91.5 | Very high | 90.3 | Very high | 16 Ų | 16 | 48.3 Ų | 48.3 | 6% | 0.063 | 27% | 0.269 | C | S | . | . | trans | -124.8 | 78.8 | -177.9 | -69.1 | -87.1 | 0 | 0 | 0 | 111.4 | Q237 V238 S239 L243 H246 T249 A250 V371 I550 V551 | Q237-Y241 WeakPolarHBondContact O-CD2 3.47Å; V238-Y241 CarbonylContact O-C 3.57Å; V238-Y241 PolarHBondContact O-N 3.12Å; V238-Y241 VanDerWaalsContact O-O 3.07Å; S239-Y241 VanDerWaalsContact C-N 3.29Å; S239-Y241 PolarHBondContact O-N 3.19Å; Y241-L243 PolarHBondContact O-N 3.21Å; Y241-H246 HydrophobicContact CD1-CB 3.73Å; Y241-H246 HydrophobicContact CG-CB 4.25Å; Y241-T249 HydrophobicContact CE1-CG2 4.22Å; Y241-A250 HydrophobicContact CD2-CB 3.47Å; Y241-A250 VanDerWaalsContact CD2-CB 3.47Å; Y241-A250 HydrophobicContact CE2-CB 4.14Å; Y241-A250 HydrophobicContact CG-CB 3.8Å; Y241-V371 HydrophobicContact CD1-CG2 4.35Å; Y241-V371 HydrophobicContact CE1-CG2 3.88Å; Y241-I550 HydrophobicContact CE2-CG2 4.06Å; Y241-V551 HydrophobicContact CE1-CG1 4.4Å; Y241-V551 HydrophobicContact CE1-CG2 4.06Å; Y241-V551 HydrophobicContact CE2-CG2 4.22Å; Y241-V551 WeakPolarHBondContact OH-CA 3.22Å | ||
| 242 | P | 86.3 | Confident | 90.4 | Very high | 83 Ų | 83 | 44.4 Ų | 44.4 | 54% | 0.539 | 24% | 0.242 | S | C | . | . | trans | -70.5 | -16.7 | -172.9 | 28.5 | -36.2 | 0 | 0 | 0 | 114.4 | ||||
| 243 | L | 88.2 | Confident | 90.5 | Very high | 66 Ų | 66 | 44.1 Ų | 44.1 | 35% | 0.346 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -81.4 | 125 | 179.2 | -70.6 | 173.1 | 0 | 0 | 0 | 110.1 | Y241 E245 H246 | Y241-L243 PolarHBondContact O-N 3.21Å; L243-E245 PolarHBondContact O-N 3.5Å; L243-E245 VanDerWaalsContact O-N 3.1Å; L243-H246 WeakPolarHBondContact O-CB 3.48Å; L243-H246 PolarHBondContact O-N 2.88Å |
| 244 | P | 86.6 | Confident | 90.7 | Very high | 100 Ų | 100 | 42.6 Ų | 42.6 | 65% | 0.649 | 23% | 0.232 | S | C | * | . | G | 310 helix | trans | -55.2 | -33 | -177.8 | -27 | 34.9 | 0 | 0 | 0 | 113.5 | H246 R247 | P244-H246 PolarHBondContact O-N 3.35Å; P244-R247 VanDerWaalsContact O-CB 3.25Å; P244-R247 WeakPolarHBondContact O-CB 3.46Å; P244-R247 PolarHBondContact O-N 3.19Å |
| 245 | E | 86.6 | Confident | 90.8 | Very high | 96 Ų | 96 | 42.8 Ų | 42.8 | 45% | 0.449 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -74.7 | -6.8 | -178 | -48.8 | 83.7 | 173.8 | 0 | 0 | 113.5 | L243 | L243-E245 PolarHBondContact O-N 3.5Å; L243-E245 VanDerWaalsContact O-N 3.1Å |
| 246 | H | 92.2 | Very high | 91 | Very high | 7 Ų | 7 | 40.1 Ų | 40.1 | 3% | 0.032 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -94.3 | -0.5 | 174 | -62.9 | 175.4 | 0 | 0 | 0 | 112.6 | Y241 L243 P244 S248 T249 A250 D368 V371 | Y241-H246 HydrophobicContact CD1-CB 3.73Å; Y241-H246 HydrophobicContact CG-CB 4.25Å; L243-H246 WeakPolarHBondContact O-CB 3.48Å; L243-H246 PolarHBondContact O-N 2.88Å; P244-H246 PolarHBondContact O-N 3.35Å; H246-S248 VanDerWaalsContact C-N 3.34Å; H246-S248 PolarHBondContact O-N 2.85Å; H246-T249 WeakPolarHBondContact O-CB 3.47Å; H246-T249 PolarHBondContact O-N 2.97Å; H246-A250 PolarHBondContact O-N 3.38Å; H246-D368 IonicContact CE1-OD1 3.55Å; H246-D368 PolarHBondContact CE1-OD1 3.1Å; H246-D368 IonicContact NE2-OD1 3.67Å; H246-D368 PolarHBondContact NE2-OD1 3.31Å; H246-V371 HydrophobicContact CB-CG2 4.36Å |
| 247 | R | 92.3 | Very high | 91.4 | Very high | 107 Ų | 107 | 36.2 Ų | 36.2 | 40% | 0.404 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -54.3 | -45.1 | -175.3 | -176.6 | -178.3 | 76.7 | -151.3 | 1.8 | 113.3 | P244 T249 A250 L251 D281 K282 | P244-R247 VanDerWaalsContact O-CB 3.25Å; P244-R247 WeakPolarHBondContact O-CB 3.46Å; P244-R247 PolarHBondContact O-N 3.19Å; R247-T249 PolarHBondContact O-N 2.62Å; R247-A250 PolarHBondContact O-N 2.99Å; R247-L251 HydrophobicContact CG-CD1 3.89Å; R247-L251 HydrophobicContact CG-CG 4.44Å; R247-L251 WeakPolarHBondContact O-CB 3.48Å; R247-L251 WeakPolarHBondContact O-CG 3.46Å; R247-L251 PolarHBondContact O-N 3.34Å; R247-D281 PolarHBondContact NH2-O 2.69Å; R247-K282 PolarHBondContact NE-O 3.27Å |
| 248 | S | 91.8 | Very high | 91.7 | Very high | 5 Ų | 5 | 34.5 Ų | 34.5 | 4% | 0.035 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.6 | -31.9 | -179.7 | 56.1 | 0 | 0 | 0 | 0 | 112.5 | H246 A252 D286 | H246-S248 VanDerWaalsContact C-N 3.34Å; H246-S248 PolarHBondContact O-N 2.85Å; S248-A252 PolarHBondContact O-N 3.12Å; S248-D286 WeakPolarHBondContact CB-OD1 3.42Å; S248-D286 PolarHBondContact OG-OD1 3.45Å; S248-D286 PolarHBondContact OG-OD2 3.45Å |
| 249 | T | 93.1 | Very high | 92.1 | Very high | 13 Ų | 13 | 32.1 Ų | 32.1 | 8% | 0.08 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -75.5 | -44.7 | 173.4 | -62.8 | 0 | 0 | 0 | 0 | 111.4 | Y241 H246 R247 L251 A252 V371 | Y241-T249 HydrophobicContact CE1-CG2 4.22Å; H246-T249 WeakPolarHBondContact O-CB 3.47Å; H246-T249 PolarHBondContact O-N 2.97Å; R247-T249 PolarHBondContact O-N 2.62Å; T249-L251 PolarHBondContact O-N 3Å; T249-A252 VanDerWaalsContact O-CB 3.25Å; T249-A252 WeakPolarHBondContact O-CB 3.27Å; T249-A252 PolarHBondContact O-N 3.09Å; T249-A252 VanDerWaalsContact O-N 3.13Å; T249-V371 HydrophobicContact CG2-CG2 3.99Å |
| 250 | A | 93.1 | Very high | 92.5 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.008 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -59.7 | -31.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q237 V238 Y241 H246 R247 | Q237-A250 WeakPolarHBondContact CB-O 3.41Å; Q237-A250 PolarHBondContact OE1-O 3.25Å; V238-A250 HydrophobicContact CG2-CB 4.43Å; Y241-A250 HydrophobicContact CD2-CB 3.47Å; Y241-A250 VanDerWaalsContact CD2-CB 3.47Å; Y241-A250 HydrophobicContact CE2-CB 4.14Å; Y241-A250 HydrophobicContact CG-CB 3.8Å; H246-A250 PolarHBondContact O-N 3.38Å; R247-A250 PolarHBondContact O-N 2.99Å |
| 251 | L | 94.4 | Very high | 92.9 | Very high | 6 Ų | 6 | 27.2 Ų | 27.2 | 3% | 0.031 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | 10 | -179.9 | -65.1 | -179.9 | 0 | 0 | 0 | 113.3 | D233 V238 R247 T249 N253 Q254 A255 K282 Y283 | D233-L251 HydrophobicContact CB-CD2 4.29Å; V238-L251 HydrophobicContact CG2-CD2 4.14Å; V238-L251 HydrophobicContact CG2-CG 4.45Å; R247-L251 HydrophobicContact CG-CD1 3.89Å; R247-L251 HydrophobicContact CG-CG 4.44Å; R247-L251 WeakPolarHBondContact O-CB 3.48Å; R247-L251 WeakPolarHBondContact O-CG 3.46Å; R247-L251 PolarHBondContact O-N 3.34Å; T249-L251 PolarHBondContact O-N 3Å; L251-N253 PolarHBondContact O-N 3.49Å; L251-Q254 PolarHBondContact O-N 3.19Å; L251-A255 WeakPolarHBondContact O-CB 3.42Å; L251-A255 PolarHBondContact O-N 3.47Å; L251-K282 HydrophobicContact CD1-CG 4.27Å; L251-Y283 HydrophobicContact CB-CD1 3.86Å; L251-Y283 HydrophobicContact CB-CE1 3.78Å; L251-Y283 HydrophobicContact CD1-CD1 4.27Å; L251-Y283 HydrophobicContact CD1-CE1 3.86Å; L251-Y283 HydrophobicContact CG-CE1 4.32Å |
| 252 | A | 93.6 | Very high | 93.2 | Very high | 8 Ų | 8 | 26.5 Ų | 26.5 | 7% | 0.066 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.4 | -36.5 | -167.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | S248 T249 A255 A256 | S248-A252 PolarHBondContact O-N 3.12Å; T249-A252 VanDerWaalsContact O-CB 3.25Å; T249-A252 WeakPolarHBondContact O-CB 3.27Å; T249-A252 PolarHBondContact O-N 3.09Å; T249-A252 VanDerWaalsContact O-N 3.13Å; A252-A255 WeakPolarHBondContact O-CB 3.29Å; A252-A255 PolarHBondContact O-N 3.48Å; A252-A256 PolarHBondContact O-N 3.44Å |
| 253 | N | 91.9 | Very high | 93.7 | Very high | 38 Ų | 38 | 22.6 Ų | 22.6 | 20% | 0.203 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -67 | -41.7 | 176.1 | -69.5 | -6.1 | 0 | 0 | 0 | 110.9 | L251 A255 A256 M257 | L251-N253 PolarHBondContact O-N 3.49Å; N253-A255 VanDerWaalsContact C-N 3.33Å; N253-A255 PolarHBondContact O-N 3.23Å; N253-A256 PolarHBondContact O-N 3.24Å; N253-M257 WeakPolarHBondContact O-CG 3.49Å; N253-M257 PolarHBondContact O-N 3.06Å |
| 254 | Q | 94.7 | Very high | 94 | Very high | 2 Ų | 2 | 20.6 Ų | 20.6 | 1% | 0.009 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -65.2 | -38.2 | 175.2 | -168.5 | 172.5 | -35.1 | 0 | 0 | 112 | L229 D232 I234 L251 M257 L258 Y283 | L229-Q254 HydrophobicContact CD2-CG 3.53Å; L229-Q254 PolarHBondContact O-NE2 3.42Å; D232-Q254 PolarHBondContact O-NE2 3.32Å; I234-Q254 HydrophobicContact CG1-CG 4.38Å; I234-Q254 VanDerWaalsContact N-OE1 3.11Å; L251-Q254 PolarHBondContact O-N 3.19Å; Q254-M257 HydrophobicContact CB-CE 4.4Å; Q254-M257 PolarHBondContact O-N 3.38Å; Q254-L258 WeakPolarHBondContact O-CB 3.5Å; Q254-L258 PolarHBondContact O-N 3.09Å; Q254-Y283 HydrophobicContact CB-CE1 4.34Å; Q254-Y283 HydrophobicContact CG-CE1 4.24Å; Q254-Y283 PolarHBondContact NE2-OH 2.98Å |
| 255 | A | 95.1 | Very high | 94.5 | Very high | 3 Ų | 3 | 17.8 Ų | 17.8 | 3% | 0.025 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -62 | -43 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | L251 A252 N253 L258 Y259 Y283 F284 | L251-A255 WeakPolarHBondContact O-CB 3.42Å; L251-A255 PolarHBondContact O-N 3.47Å; A252-A255 WeakPolarHBondContact O-CB 3.29Å; A252-A255 PolarHBondContact O-N 3.48Å; N253-A255 VanDerWaalsContact C-N 3.33Å; N253-A255 PolarHBondContact O-N 3.23Å; A255-L258 PolarHBondContact O-N 2.95Å; A255-Y259 WeakPolarHBondContact O-CB 3.43Å; A255-Y259 PolarHBondContact O-N 3.34Å; A255-Y283 HydrophobicContact CB-CD1 3.65Å; A255-Y283 HydrophobicContact CB-CG 3.98Å; A255-F284 HydrophobicContact CB-CE1 3.7Å; A255-F284 HydrophobicContact CB-CZ 3.85Å |
| 256 | A | 95.3 | Very high | 94.8 | Very high | 3 Ų | 3 | 14.2 Ų | 14.2 | 3% | 0.025 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -62.4 | -43.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | A252 N253 Y259 V260 S291 | A252-A256 PolarHBondContact O-N 3.44Å; N253-A256 PolarHBondContact O-N 3.24Å; A256-Y259 PolarHBondContact O-N 2.83Å; A256-V260 PolarHBondContact O-N 2.5Å; A256-S291 WeakPolarHBondContact CB-O 3.29Å |
| 257 | M | 96.4 | Very high | 94.9 | Very high | 4 Ų | 4 | 16.2 Ų | 16.2 | 2% | 0.02 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -60.3 | -49 | 174.7 | -69.5 | -169 | -77.6 | 0 | 0 | 111.8 | C140 E141 Y144 L229 I234 Y235 N253 Q254 Y259 V260 I261 | C140-M257 HydrophobicContact CB-SD 4.43Å; E141-M257 HydrophobicContact CG-SD 4.17Å; Y144-M257 HydrophobicContact CD1-CG 3.81Å; Y144-M257 HydrophobicContact CD1-SD 4.22Å; Y144-M257 HydrophobicContact CD2-CB 4.08Å; Y144-M257 HydrophobicContact CD2-CG 3.74Å; Y144-M257 HydrophobicContact CE1-CG 4.19Å; Y144-M257 HydrophobicContact CE2-CG 4.1Å; Y144-M257 HydrophobicContact CG-CB 4.14Å; Y144-M257 HydrophobicContact CG-CG 3.55Å; Y144-M257 HydrophobicContact CG-SD 4.3Å; L229-M257 HydrophobicContact CD2-CE 4.43Å; I234-M257 HydrophobicContact CD1-CE 3.79Å; Y235-M257 HydrophobicContact CD2-CE 4.48Å; Y235-M257 HydrophobicContact CE2-CE 3.39Å; Y235-M257 WeakPolarHBondContact OH-CE 3.46Å; N253-M257 WeakPolarHBondContact O-CG 3.49Å; N253-M257 PolarHBondContact O-N 3.06Å; Q254-M257 HydrophobicContact CB-CE 4.4Å; Q254-M257 PolarHBondContact O-N 3.38Å; M257-Y259 VanDerWaalsContact C-N 3.33Å; M257-Y259 PolarHBondContact O-N 3.36Å; M257-V260 PolarHBondContact O-N 3.23Å; M257-I261 HydrophobicContact CB-CD1 4.38Å; M257-I261 WeakPolarHBondContact O-CB 3.49Å; M257-I261 WeakPolarHBondContact O-CD1 3.36Å; M257-I261 VanDerWaalsContact O-CG1 3.26Å; M257-I261 WeakPolarHBondContact O-CG1 3.25Å; M257-I261 PolarHBondContact O-N 2.93Å |
| 258 | L | 96.6 | Very high | 95 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -61.3 | -41.4 | 179.5 | -176.5 | 59.9 | 0 | 0 | 0 | 111.8 | I226 L229 R230 Q254 A255 V260 I261 L262 I279 Y283 | I226-L258 HydrophobicContact CG1-CD1 4.47Å; I226-L258 HydrophobicContact CG2-CD1 4.3Å; L229-L258 HydrophobicContact CB-CD1 4.07Å; L229-L258 HydrophobicContact CD1-CB 4.42Å; L229-L258 HydrophobicContact CD1-CD1 4.27Å; R230-L258 HydrophobicContact CG-CD2 4.47Å; Q254-L258 WeakPolarHBondContact O-CB 3.5Å; Q254-L258 PolarHBondContact O-N 3.09Å; A255-L258 PolarHBondContact O-N 2.95Å; L258-V260 VanDerWaalsContact C-N 3.34Å; L258-V260 PolarHBondContact O-N 3.32Å; L258-I261 PolarHBondContact O-N 3.49Å; L258-L262 HydrophobicContact CD1-CG 4.24Å; L258-L262 HydrophobicContact CG-CD1 4.27Å; L258-L262 HydrophobicContact CG-CG 4.4Å; L258-L262 WeakPolarHBondContact O-CG 3.4Å; L258-L262 PolarHBondContact O-N 3.45Å; L258-I279 HydrophobicContact CD2-CD1 4.36Å; L258-I279 HydrophobicContact CD2-CG1 4.09Å; L258-I279 HydrophobicContact CD2-CG2 3.76Å; L258-Y283 HydrophobicContact CD2-CD2 3.72Å; L258-Y283 HydrophobicContact CD2-CE2 3.55Å |
| 259 | Y | 96.9 | Very high | 95.2 | Very high | 14 Ų | 14 | 10.9 Ų | 10.9 | 6% | 0.055 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -55.2 | -47.2 | 175.2 | 165.1 | -94.8 | 0 | 0 | 0 | 112.2 | A255 A256 M257 Y263 I290 I292 V298 L300 A303 W304 | A255-Y259 WeakPolarHBondContact O-CB 3.43Å; A255-Y259 PolarHBondContact O-N 3.34Å; A256-Y259 PolarHBondContact O-N 2.83Å; M257-Y259 VanDerWaalsContact C-N 3.33Å; M257-Y259 PolarHBondContact O-N 3.36Å; Y259-Y263 HydrophobicContact CD1-CE2 4.49Å; Y259-Y263 AromaticContact CE1-CE2 3.85Å; Y259-Y263 HydrophobicContact CE1-CE2 3.85Å; Y259-Y263 AromaticContact CE2-CE2 3.94Å; Y259-Y263 HydrophobicContact CE2-CE2 3.94Å; Y259-Y263 AromaticContact CE2-CZ 4Å; Y259-Y263 WeakPolarHBondContact CE2-OH 3.21Å; Y259-Y263 AromaticContact CZ-CE2 3.52Å; Y259-Y263 AromaticContact CZ-CZ 3.85Å; Y259-Y263 VanDerWaalsContact CZ-OH 3.29Å; Y259-Y263 PolarHBondContact OH-OH 3.32Å; Y259-I290 HydrophobicContact CD1-CD1 4.03Å; Y259-I290 HydrophobicContact CD2-CD1 4.17Å; Y259-I290 HydrophobicContact CG-CD1 3.7Å; Y259-I292 HydrophobicContact CD1-CG2 3.57Å; Y259-I292 HydrophobicContact CE1-CG2 3.77Å; Y259-V298 HydrophobicContact CE1-CG1 4.11Å; Y259-V298 HydrophobicContact CE1-CG2 4.25Å; Y259-V298 HydrophobicContact CE2-CG1 4.08Å; Y259-V298 WeakPolarHBondContact OH-CG1 3.16Å; Y259-L300 HydrophobicContact CD2-CD2 3.42Å; Y259-L300 VanDerWaalsContact CD2-CD2 3.42Å; Y259-L300 HydrophobicContact CE2-CD2 3.61Å; Y259-L300 HydrophobicContact CG-CD2 4.35Å; Y259-A303 HydrophobicContact CE2-CB 3.93Å; Y259-A303 WeakPolarHBondContact OH-CB 3.45Å; Y259-W304 AromaticContact CD2-CE2 3.96Å; Y259-W304 AromaticContact CD2-CZ2 3.94Å; Y259-W304 HydrophobicContact CD2-CZ2 3.94Å; Y259-W304 AromaticContact CD2-NE1 3.67Å; Y259-W304 AromaticContact CE2-NE1 3.58Å |
| 260 | V | 97.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -68.4 | -43.5 | 179 | 176.4 | 0 | 0 | 0 | 0 | 110.8 | Y144 V148 L151 F212 A256 M257 L258 L262 Y263 I292 | Y144-V260 HydrophobicContact CD2-CB 4Å; Y144-V260 HydrophobicContact CD2-CG1 4.36Å; Y144-V260 HydrophobicContact CD2-CG2 4.01Å; Y144-V260 HydrophobicContact CE2-CG2 4.04Å; V148-V260 HydrophobicContact CG2-CG2 4.43Å; L151-V260 HydrophobicContact CD1-CG1 4.49Å; L151-V260 HydrophobicContact CD1-CG2 4.35Å; F212-V260 HydrophobicContact CE1-CG1 4.06Å; F212-V260 HydrophobicContact CZ-CG1 4.28Å; A256-V260 PolarHBondContact O-N 2.5Å; M257-V260 PolarHBondContact O-N 3.23Å; L258-V260 VanDerWaalsContact C-N 3.34Å; L258-V260 PolarHBondContact O-N 3.32Å; V260-L262 VanDerWaalsContact C-N 3.3Å; V260-L262 PolarHBondContact O-N 3.09Å; V260-Y263 PolarHBondContact O-N 3.36Å; V260-I292 HydrophobicContact CG2-CB 4.43Å; V260-I292 HydrophobicContact CG2-CG2 4.49Å |
| 261 | I | 97.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -67.1 | -31.1 | -174.7 | -70.3 | 165.8 | 0 | 0 | 0 | 112.2 | L143 V225 I226 L229 M257 L258 Y263 F264 | L143-I261 HydrophobicContact CB-CD1 4.48Å; L143-I261 HydrophobicContact CB-CG1 4.47Å; L143-I261 HydrophobicContact CD2-CD1 4.44Å; L143-I261 HydrophobicContact CD2-CG1 4.09Å; L143-I261 HydrophobicContact CD2-CG2 3.72Å; L143-I261 HydrophobicContact CG-CG1 4.08Å; V225-I261 HydrophobicContact CG1-CD1 3.88Å; V225-I261 HydrophobicContact CG1-CG2 4.42Å; I226-I261 HydrophobicContact CD1-CG2 4.05Å; I226-I261 HydrophobicContact CG1-CG2 3.6Å; L229-I261 HydrophobicContact CD1-CD1 3.48Å; L229-I261 VanDerWaalsContact CD1-CD1 3.48Å; M257-I261 HydrophobicContact CB-CD1 4.38Å; M257-I261 WeakPolarHBondContact O-CB 3.49Å; M257-I261 WeakPolarHBondContact O-CD1 3.36Å; M257-I261 VanDerWaalsContact O-CG1 3.26Å; M257-I261 WeakPolarHBondContact O-CG1 3.25Å; M257-I261 PolarHBondContact O-N 2.93Å; L258-I261 PolarHBondContact O-N 3.49Å; I261-Y263 PolarHBondContact O-N 2.9Å; I261-F264 WeakPolarHBondContact O-CB 3.46Å; I261-F264 PolarHBondContact O-N 2.93Å |
| 262 | L | 96.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -21.5 | 176.7 | -76.9 | 167.6 | 0 | 0 | 0 | 113.7 | L258 V260 F264 E265 I268 L269 M276 I279 W304 | L258-L262 HydrophobicContact CD1-CG 4.24Å; L258-L262 HydrophobicContact CG-CD1 4.27Å; L258-L262 HydrophobicContact CG-CG 4.4Å; L258-L262 WeakPolarHBondContact O-CG 3.4Å; L258-L262 PolarHBondContact O-N 3.45Å; V260-L262 VanDerWaalsContact C-N 3.3Å; V260-L262 PolarHBondContact O-N 3.09Å; L262-F264 VanDerWaalsContact C-N 3.31Å; L262-E265 CarbonylContact O-C 3.17Å; L262-E265 PolarHBondContact O-N 3.5Å; L262-I268 HydrophobicContact CD2-CB 4.21Å; L262-I268 HydrophobicContact CD2-CD1 4.4Å; L262-I268 HydrophobicContact CD2-CG2 3.83Å; L262-L269 HydrophobicContact CB-CD1 4.23Å; L262-L269 HydrophobicContact CB-CD2 4.1Å; L262-L269 HydrophobicContact CB-CG 4.18Å; L262-L269 HydrophobicContact CD1-CD2 4.11Å; L262-M276 HydrophobicContact CD1-CE 4.45Å; L262-M276 HydrophobicContact CD1-SD 4.34Å; L262-M276 HydrophobicContact CD2-SD 4.48Å; L262-I279 HydrophobicContact CD1-CD1 4.41Å; L262-I279 HydrophobicContact CD2-CD1 4.13Å; L262-W304 HydrophobicContact CD1-CZ2 4.2Å |
| 263 | Y | 96.6 | Very high | 95.2 | Very high | 1 Ų | 1 | 26 Ų | 26 | 0% | 0.004 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -16 | 175.1 | -65.6 | -61.2 | 0 | 0 | 0 | 114.1 | P208 Y259 V260 I261 E265 L269 Y307 | P208-Y263 HydrophobicContact CG-CD1 3.6Å; P208-Y263 HydrophobicContact CG-CD2 3.85Å; P208-Y263 HydrophobicContact CG-CE1 3.77Å; P208-Y263 HydrophobicContact CG-CE2 4.01Å; P208-Y263 HydrophobicContact CG-CG 3.65Å; Y259-Y263 HydrophobicContact CD1-CE2 4.49Å; Y259-Y263 AromaticContact CE1-CE2 3.85Å; Y259-Y263 HydrophobicContact CE1-CE2 3.85Å; Y259-Y263 AromaticContact CE2-CE2 3.94Å; Y259-Y263 HydrophobicContact CE2-CE2 3.94Å; Y259-Y263 AromaticContact CE2-CZ 4Å; Y259-Y263 WeakPolarHBondContact CE2-OH 3.21Å; Y259-Y263 AromaticContact CZ-CE2 3.52Å; Y259-Y263 AromaticContact CZ-CZ 3.85Å; Y259-Y263 VanDerWaalsContact CZ-OH 3.29Å; Y259-Y263 PolarHBondContact OH-OH 3.32Å; V260-Y263 PolarHBondContact O-N 3.36Å; I261-Y263 PolarHBondContact O-N 2.9Å; Y263-E265 VanDerWaalsContact C-N 3.35Å; Y263-L269 HydrophobicContact CD1-CD1 3.88Å; Y263-L269 HydrophobicContact CE1-CD1 3.94Å; Y263-Y307 AromaticContact CE1-CE2 3.8Å; Y263-Y307 HydrophobicContact CE1-CE2 3.8Å; Y263-Y307 AromaticContact CE1-CZ 3.83Å; Y263-Y307 WeakPolarHBondContact CE1-OH 3.21Å |
| 264 | F | 96.3 | Very high | 95.3 | Very high | 24 Ų | 24 | 28 Ų | 28 | 11% | 0.105 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -21.2 | 168.3 | -65.3 | -76.1 | 0 | 0 | 0 | 112.3 | L143 Y146 F212 I217 I222 I261 L262 | L143-F264 HydrophobicContact CD1-CD1 4.41Å; L143-F264 HydrophobicContact CD1-CD2 3.8Å; L143-F264 HydrophobicContact CD1-CE1 4.31Å; L143-F264 HydrophobicContact CD1-CE2 3.68Å; L143-F264 HydrophobicContact CD1-CG 4.19Å; L143-F264 HydrophobicContact CD1-CZ 3.96Å; L143-F264 HydrophobicContact CD2-CD2 4.31Å; L143-F264 HydrophobicContact CG-CD2 3.97Å; L143-F264 HydrophobicContact CG-CE2 3.95Å; Y146-F264 AromaticContact CD1-CE1 3.88Å; Y146-F264 HydrophobicContact CD1-CE1 3.88Å; Y146-F264 AromaticContact CD1-CZ 3.63Å; Y146-F264 HydrophobicContact CD1-CZ 3.63Å; Y146-F264 HydrophobicContact CE1-CE1 4.01Å; Y146-F264 HydrophobicContact CE1-CZ 4.19Å; F212-F264 HydrophobicContact CB-CD1 4.12Å; F212-F264 HydrophobicContact CB-CE1 4.04Å; F212-F264 AromaticContact CD1-CD1 3.91Å; F212-F264 HydrophobicContact CD1-CD1 3.91Å; F212-F264 AromaticContact CD1-CD2 3.86Å; F212-F264 HydrophobicContact CD1-CD2 3.86Å; F212-F264 AromaticContact CD1-CE1 3.6Å; F212-F264 HydrophobicContact CD1-CE1 3.6Å; F212-F264 AromaticContact CD1-CE2 3.55Å; F212-F264 HydrophobicContact CD1-CE2 3.55Å; F212-F264 HydrophobicContact CD1-CG 4.02Å; F212-F264 AromaticContact CD1-CZ 3.4Å; F212-F264 HydrophobicContact CD1-CZ 3.4Å; F212-F264 HydrophobicContact CE1-CD2 4.23Å; F212-F264 HydrophobicContact CE1-CE1 4.42Å; F212-F264 AromaticContact CE1-CE2 3.67Å; F212-F264 HydrophobicContact CE1-CE2 3.67Å; F212-F264 AromaticContact CE1-CZ 3.77Å; F212-F264 HydrophobicContact CE1-CZ 3.77Å; F212-F264 HydrophobicContact CG-CD1 4.49Å; F212-F264 HydrophobicContact CG-CE1 4.15Å; F212-F264 HydrophobicContact CG-CZ 4.28Å; I217-F264 HydrophobicContact CD1-CD1 4.05Å; I217-F264 HydrophobicContact CD1-CE1 3.79Å; I217-F264 HydrophobicContact CD1-CZ 4.39Å; I222-F264 HydrophobicContact CD1-CB 3.94Å; I222-F264 HydrophobicContact CG1-CB 4.33Å; I222-F264 HydrophobicContact CG2-CB 4.14Å; I261-F264 WeakPolarHBondContact O-CB 3.46Å; I261-F264 PolarHBondContact O-N 2.93Å; L262-F264 VanDerWaalsContact C-N 3.31Å |
| 265 | E | 95.3 | Very high | 95.3 | Very high | 41 Ų | 41 | 30.8 Ų | 30.8 | 19% | 0.192 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -126.3 | 66.9 | 175.2 | -160.9 | -175.2 | 166 | 0 | 0 | 111.7 | I222 I226 L262 Y263 S267 I268 | I222-E265 HydrophobicContact CG2-CB 4.1Å; I226-E265 HydrophobicContact CD1-CB 3.94Å; I226-E265 WeakPolarHBondContact CD1-OE2 3.28Å; L262-E265 CarbonylContact O-C 3.17Å; L262-E265 PolarHBondContact O-N 3.5Å; Y263-E265 VanDerWaalsContact C-N 3.35Å; E265-S267 PolarHBondContact O-N 2.89Å; E265-I268 HydrophobicContact CB-CD1 4.36Å; E265-I268 VanDerWaalsContact CD-CD1 3.42Å; E265-I268 HydrophobicContact CG-CD1 4.12Å; E265-I268 HydrophobicContact CG-CG1 4.09Å; E265-I268 PolarHBondContact O-N 3.29Å; E265-I268 VanDerWaalsContact O-N 3.08Å; E265-I268 WeakPolarHBondContact OE2-CD1 3.5Å |
| 266 | P | 93.6 | Very high | 95.3 | Very high | 21 Ų | 21 | 30.7 Ų | 30.7 | 14% | 0.136 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.1 | -16.4 | -172.9 | 26.5 | -35.7 | 0 | 0 | 0 | 113.9 | E209 I268 L269 H270 | E209-P266 HydrophobicContact CB-CB 4.04Å; E209-P266 HydrophobicContact CB-CG 4.13Å; E209-P266 HydrophobicContact CG-CB 4.43Å; P266-I268 PolarHBondContact O-N 3.39Å; P266-L269 PolarHBondContact O-N 2.84Å; P266-L269 VanDerWaalsContact O-N 3.15Å; P266-H270 PolarHBondContact O-CD2 3.07Å; P266-H270 PolarHBondContact O-N 2.92Å; P266-H270 VanDerWaalsContact O-N 3.11Å |
| 267 | S | 94.6 | Very high | 95.3 | Very high | 50 Ų | 50 | 36.6 Ų | 36.6 | 35% | 0.35 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -57.6 | -34 | 173.9 | 73.3 | 0 | 0 | 0 | 0 | 111.6 | E265 T271 H272 | E265-S267 PolarHBondContact O-N 2.89Å; S267-T271 PolarHBondContact O-N 3.19Å; S267-T271 PolarHBondContact O-OG1 3.47Å; S267-H272 PolarHBondContact O-ND1 3.45Å |
| 268 | I | 95.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.5 | -47.4 | 176.4 | -64.8 | -179.3 | 0 | 0 | 0 | 110.4 | I226 L262 E265 P266 H270 H272 K275 M276 | I226-I268 HydrophobicContact CD1-CD1 4.13Å; I226-I268 HydrophobicContact CG2-CD1 4.13Å; L262-I268 HydrophobicContact CD2-CB 4.21Å; L262-I268 HydrophobicContact CD2-CD1 4.4Å; L262-I268 HydrophobicContact CD2-CG2 3.83Å; E265-I268 HydrophobicContact CB-CD1 4.36Å; E265-I268 VanDerWaalsContact CD-CD1 3.42Å; E265-I268 HydrophobicContact CG-CD1 4.12Å; E265-I268 HydrophobicContact CG-CG1 4.09Å; E265-I268 PolarHBondContact O-N 3.29Å; E265-I268 VanDerWaalsContact O-N 3.08Å; E265-I268 WeakPolarHBondContact OE2-CD1 3.5Å; P266-I268 PolarHBondContact O-N 3.39Å; I268-H270 VanDerWaalsContact C-N 3.33Å; I268-H270 PolarHBondContact O-N 2.81Å; I268-H272 WeakPolarHBondContact CA-ND1 3.26Å; I268-H272 HydrophobicContact CG2-CB 4.36Å; I268-H272 PolarHBondContact O-N 3.2Å; I268-K275 HydrophobicContact CD1-CD 4.29Å; I268-K275 HydrophobicContact CG1-CD 4.37Å; I268-K275 HydrophobicContact CG2-CB 4.3Å; I268-M276 HydrophobicContact CG2-CG 4.05Å; I268-M276 HydrophobicContact CG2-SD 3.7Å; I268-M276 WeakPolarHBondContact O-CG 3.41Å |
| 269 | L | 94.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.3 | -36.2 | -179.3 | -65.8 | 171.5 | 0 | 0 | 0 | 112.4 | L262 Y263 P266 M276 Y307 A309 A310 | L262-L269 HydrophobicContact CB-CD1 4.23Å; L262-L269 HydrophobicContact CB-CD2 4.1Å; L262-L269 HydrophobicContact CB-CG 4.18Å; L262-L269 HydrophobicContact CD1-CD2 4.11Å; Y263-L269 HydrophobicContact CD1-CD1 3.88Å; Y263-L269 HydrophobicContact CE1-CD1 3.94Å; P266-L269 PolarHBondContact O-N 2.84Å; P266-L269 VanDerWaalsContact O-N 3.15Å; L269-M276 HydrophobicContact CD2-CE 4.11Å; L269-M276 HydrophobicContact CD2-SD 3.99Å; L269-Y307 HydrophobicContact CB-CD1 3.63Å; L269-Y307 HydrophobicContact CB-CD2 4.38Å; L269-Y307 HydrophobicContact CB-CE1 4.39Å; L269-Y307 HydrophobicContact CB-CG 3.67Å; L269-Y307 HydrophobicContact CD1-CD1 4.12Å; L269-Y307 HydrophobicContact CD1-CD2 4.26Å; L269-Y307 HydrophobicContact CD1-CE1 4.11Å; L269-Y307 HydrophobicContact CD1-CE2 4.2Å; L269-Y307 HydrophobicContact CD1-CG 4.24Å; L269-Y307 HydrophobicContact CG-CG 4.48Å; L269-Y307 WeakPolarHBondContact O-CB 3.45Å; L269-A309 WeakPolarHBondContact O-CA 3.42Å; L269-A309 VanDerWaalsContact O-CB 3.28Å; L269-A309 WeakPolarHBondContact O-CB 3.35Å; L269-A309 PolarHBondContact O-N 2.75Å; L269-A310 HydrophobicContact CD2-CB 3.88Å; L269-A310 PolarHBondContact O-N 2.81Å |
| 270 | H | 94.1 | Very high | 95.1 | Very high | 78 Ų | 78 | 39.7 Ų | 39.7 | 36% | 0.361 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -85.2 | -45.3 | -179.1 | -78.9 | -69.2 | 0 | 0 | 0 | 114.6 | P266 I268 Y307 A309 | P266-H270 PolarHBondContact O-CD2 3.07Å; P266-H270 PolarHBondContact O-N 2.92Å; P266-H270 VanDerWaalsContact O-N 3.11Å; I268-H270 VanDerWaalsContact C-N 3.33Å; I268-H270 PolarHBondContact O-N 2.81Å; H270-Y307 AromaticContact CD2-CD1 3.67Å; H270-Y307 AromaticContact CE1-CD1 3.52Å; H270-Y307 AromaticContact NE2-CD1 3.28Å; H270-Y307 VanDerWaalsContact NE2-CD1 3.28Å; H270-Y307 WeakPolarHBondContact NE2-CD1 3.44Å; H270-Y307 AromaticContact NE2-CE1 3.59Å; H270-A309 PolarHBondContact O-N 3.17Å |
| 271 | T | 94.6 | Very high | 94.9 | Very high | 95 Ų | 95 | 43.1 Ų | 43.1 | 58% | 0.583 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -117.4 | -30.4 | -161.5 | 64.8 | 0 | 0 | 0 | 0 | 114.5 | S267 Q273 | S267-T271 PolarHBondContact O-N 3.19Å; S267-T271 PolarHBondContact O-OG1 3.47Å; T271-Q273 PolarHBondContact O-N 3.07Å; T271-Q273 VanDerWaalsContact O-N 3.09Å |
| 272 | H | 93.6 | Very high | 94.7 | Very high | 69 Ų | 69 | 45.3 Ų | 45.3 | 32% | 0.319 | 23% | 0.234 | S | C | . | . | trans | -89.1 | 76.7 | -172.1 | -65.3 | 92.7 | 0 | 0 | 0 | 113.1 | S267 I268 A274 K275 M276 | S267-H272 PolarHBondContact O-ND1 3.45Å; I268-H272 WeakPolarHBondContact CA-ND1 3.26Å; I268-H272 HydrophobicContact CG2-CB 4.36Å; I268-H272 PolarHBondContact O-N 3.2Å; H272-A274 PolarHBondContact O-N 3.35Å; H272-K275 HydrophobicContact CB-CB 4.08Å; H272-K275 HydrophobicContact CB-CD 4.12Å; H272-K275 HydrophobicContact CB-CG 4.25Å; H272-K275 PolarHBondContact O-N 3.29Å; H272-M276 PolarHBondContact O-N 3.06Å | ||
| 273 | Q | 93.4 | Very high | 94.5 | Very high | 102 Ų | 102 | 45.4 Ų | 45.4 | 48% | 0.477 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -57.9 | -41.9 | -177.3 | -65.2 | -176.9 | -3 | 0 | 0 | 114.3 | T271 M276 R277 A309 | T271-Q273 PolarHBondContact O-N 3.07Å; T271-Q273 VanDerWaalsContact O-N 3.09Å; Q273-M276 PolarHBondContact O-N 3.18Å; Q273-R277 WeakPolarHBondContact O-CB 3.27Å; Q273-R277 PolarHBondContact O-N 3.28Å; Q273-A309 HydrophobicContact CG-CB 4.01Å |
| 274 | A | 93.4 | Very high | 94.5 | Very high | 80 Ų | 80 | 45.4 Ų | 45.4 | 66% | 0.661 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -66.2 | -46.4 | -179 | 0 | 0 | 0 | 0 | 0 | 112 | H272 M276 R277 E278 | H272-A274 PolarHBondContact O-N 3.35Å; A274-M276 PolarHBondContact O-N 3.27Å; A274-R277 PolarHBondContact O-N 3.41Å; A274-E278 PolarHBondContact O-N 3.37Å; A274-E278 VanDerWaalsContact O-N 3.1Å |
| 275 | K | 94.3 | Very high | 94.2 | Very high | 62 Ų | 62 | 46.1 Ų | 46.1 | 27% | 0.27 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60 | -46.1 | 176.2 | -68.3 | -174.3 | 179.3 | 178 | 0 | 110.8 | I268 H272 R277 E278 I279 | I268-K275 HydrophobicContact CD1-CD 4.29Å; I268-K275 HydrophobicContact CG1-CD 4.37Å; I268-K275 HydrophobicContact CG2-CB 4.3Å; H272-K275 HydrophobicContact CB-CB 4.08Å; H272-K275 HydrophobicContact CB-CD 4.12Å; H272-K275 HydrophobicContact CB-CG 4.25Å; H272-K275 PolarHBondContact O-N 3.29Å; K275-R277 PolarHBondContact O-N 2.88Å; K275-E278 PolarHBondContact O-N 2.98Å; K275-I279 VanDerWaalsContact O-CG1 3.26Å; K275-I279 WeakPolarHBondContact O-CG1 3.34Å; K275-I279 PolarHBondContact O-N 3.47Å |
| 276 | M | 95.5 | Very high | 94 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.5 | -36.6 | 179.2 | -77.4 | -51.7 | -52.9 | 0 | 0 | 113.2 | L262 I268 L269 H272 Q273 A274 I279 V280 W304 A309 A310 A313 | L262-M276 HydrophobicContact CD1-CE 4.45Å; L262-M276 HydrophobicContact CD1-SD 4.34Å; L262-M276 HydrophobicContact CD2-SD 4.48Å; I268-M276 HydrophobicContact CG2-CG 4.05Å; I268-M276 HydrophobicContact CG2-SD 3.7Å; I268-M276 WeakPolarHBondContact O-CG 3.41Å; L269-M276 HydrophobicContact CD2-CE 4.11Å; L269-M276 HydrophobicContact CD2-SD 3.99Å; H272-M276 PolarHBondContact O-N 3.06Å; Q273-M276 PolarHBondContact O-N 3.18Å; A274-M276 PolarHBondContact O-N 3.27Å; M276-I279 HydrophobicContact CE-CG2 4.45Å; M276-I279 PolarHBondContact O-N 3.03Å; M276-I279 HydrophobicContact SD-CD1 4Å; M276-V280 HydrophobicContact CE-CG2 4.45Å; M276-V280 WeakPolarHBondContact O-CG2 3.37Å; M276-V280 PolarHBondContact O-N 3.12Å; M276-W304 HydrophobicContact CE-CE3 4.5Å; M276-W304 HydrophobicContact CE-CH2 3.86Å; M276-W304 HydrophobicContact CE-CZ2 4.18Å; M276-W304 HydrophobicContact CE-CZ3 4.04Å; M276-A309 HydrophobicContact CB-CB 4.45Å; M276-A309 HydrophobicContact CG-CB 4.16Å; M276-A310 HydrophobicContact CE-CB 3.75Å; M276-A313 HydrophobicContact CB-CB 3.97Å |
| 277 | R | 94.4 | Very high | 93.8 | Very high | 127 Ų | 127 | 44.1 Ų | 44.1 | 48% | 0.479 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -61.4 | -49.1 | 174.4 | -178.5 | 174.5 | -67.7 | 157.4 | -0.2 | 111.4 | Q273 A274 K275 I279 V280 D281 | Q273-R277 WeakPolarHBondContact O-CB 3.27Å; Q273-R277 PolarHBondContact O-N 3.28Å; A274-R277 PolarHBondContact O-N 3.41Å; K275-R277 PolarHBondContact O-N 2.88Å; R277-I279 VanDerWaalsContact C-N 3.31Å; R277-I279 PolarHBondContact O-N 3.5Å; R277-V280 PolarHBondContact O-N 3.46Å; R277-D281 WeakPolarHBondContact CG-OD2 3.42Å; R277-D281 WeakPolarHBondContact O-CB 3.26Å; R277-D281 VanDerWaalsContact O-CG 3.24Å; R277-D281 PolarHBondContact O-N 3.49Å |
| 278 | E | 94.9 | Very high | 93.8 | Very high | 82 Ų | 82 | 41.7 Ų | 41.7 | 38% | 0.383 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -57.5 | -43.6 | 176.3 | -176 | -164.1 | 122.2 | 0 | 0 | 112.2 | R230 A274 K275 K282 | R230-E278 IonicContact CZ-OE1 3.37Å; R230-E278 IonicContact CZ-OE2 3.72Å; R230-E278 IonicContact NE-OE1 2.99Å; R230-E278 PolarHBondContact NE-OE1 3.25Å; R230-E278 IonicContact NE-OE2 3.96Å; R230-E278 IonicContact NH2-OE1 2.99Å; R230-E278 PolarHBondContact NH2-OE1 3.48Å; R230-E278 IonicContact NH2-OE2 2.69Å; R230-E278 PolarHBondContact NH2-OE2 2.79Å; A274-E278 PolarHBondContact O-N 3.37Å; A274-E278 VanDerWaalsContact O-N 3.1Å; K275-E278 PolarHBondContact O-N 2.98Å; E278-K282 VanDerWaalsContact O-CB 3.3Å; E278-K282 WeakPolarHBondContact O-CB 3.29Å; E278-K282 PolarHBondContact O-N 2.97Å |
| 279 | I | 95.4 | Very high | 93.7 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.6 | -49.3 | 177.1 | -70.1 | 168.8 | 0 | 0 | 0 | 110.8 | R230 L258 L262 K275 M276 R277 K282 Y283 F284 | R230-I279 HydrophobicContact CG-CD1 4.37Å; R230-I279 HydrophobicContact CG-CG1 3.92Å; L258-I279 HydrophobicContact CD2-CD1 4.36Å; L258-I279 HydrophobicContact CD2-CG1 4.09Å; L258-I279 HydrophobicContact CD2-CG2 3.76Å; L262-I279 HydrophobicContact CD1-CD1 4.41Å; L262-I279 HydrophobicContact CD2-CD1 4.13Å; K275-I279 VanDerWaalsContact O-CG1 3.26Å; K275-I279 WeakPolarHBondContact O-CG1 3.34Å; K275-I279 PolarHBondContact O-N 3.47Å; M276-I279 HydrophobicContact CE-CG2 4.45Å; M276-I279 PolarHBondContact O-N 3.03Å; M276-I279 HydrophobicContact SD-CD1 4Å; R277-I279 VanDerWaalsContact C-N 3.31Å; R277-I279 PolarHBondContact O-N 3.5Å; I279-K282 PolarHBondContact O-N 3.43Å; I279-Y283 HydrophobicContact CG2-CD2 4.26Å; I279-Y283 WeakPolarHBondContact O-CB 3.34Å; I279-Y283 WeakPolarHBondContact O-CD2 3.19Å; I279-Y283 PolarHBondContact O-N 3.38Å; I279-F284 HydrophobicContact CG2-CD2 4.43Å; I279-F284 HydrophobicContact CG2-CE2 4.05Å |
| 280 | V | 95.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.1 | -45.6 | -179.1 | 171.6 | 0 | 0 | 0 | 0 | 111.3 | M276 R277 K282 F284 W304 A313 L314 T317 | M276-V280 HydrophobicContact CE-CG2 4.45Å; M276-V280 WeakPolarHBondContact O-CG2 3.37Å; M276-V280 PolarHBondContact O-N 3.12Å; R277-V280 PolarHBondContact O-N 3.46Å; V280-K282 VanDerWaalsContact C-N 3.28Å; V280-K282 PolarHBondContact O-N 3.35Å; V280-F284 HydrophobicContact CG1-CB 4.34Å; V280-F284 HydrophobicContact CG2-CD2 4.46Å; V280-F284 CarbonylContact O-C 3.19Å; V280-F284 VanDerWaalsContact O-CA 3.3Å; V280-F284 WeakPolarHBondContact O-CA 3.3Å; V280-F284 PolarHBondContact O-N 2.99Å; V280-W304 HydrophobicContact CG2-CH2 4.45Å; V280-W304 HydrophobicContact CG2-CZ3 3.86Å; V280-A313 HydrophobicContact CB-CB 4.12Å; V280-A313 HydrophobicContact CG2-CB 3.68Å; V280-L314 HydrophobicContact CG1-CD1 4.24Å; V280-T317 WeakPolarHBondContact CG1-OG1 3.33Å |
| 281 | D | 93.3 | Very high | 93.7 | Very high | 72 Ų | 72 | 38.9 Ų | 38.9 | 39% | 0.385 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -64.5 | -34.6 | -179.7 | -66.8 | -18.5 | 0 | 0 | 0 | 111.6 | R247 R277 | R247-D281 PolarHBondContact NH2-O 2.69Å; R277-D281 WeakPolarHBondContact CG-OD2 3.42Å; R277-D281 WeakPolarHBondContact O-CB 3.26Å; R277-D281 VanDerWaalsContact O-CG 3.24Å; R277-D281 PolarHBondContact O-N 3.49Å |
| 282 | K | 92.8 | Very high | 93.7 | Very high | 47 Ų | 47 | 34.7 Ų | 34.7 | 20% | 0.204 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -73.5 | -51.2 | 177.6 | -171.5 | 175.4 | -177.3 | -165.4 | 0 | 112.3 | R230 D232 R247 L251 E278 I279 V280 | R230-K282 WeakPolarHBondContact O-CD 3.42Å; R230-K282 PolarHBondContact O-NZ 3.38Å; D232-K282 PolarHBondContact O-NZ 3.08Å; R247-K282 PolarHBondContact NE-O 3.27Å; L251-K282 HydrophobicContact CD1-CG 4.27Å; E278-K282 VanDerWaalsContact O-CB 3.3Å; E278-K282 WeakPolarHBondContact O-CB 3.29Å; E278-K282 PolarHBondContact O-N 2.97Å; I279-K282 PolarHBondContact O-N 3.43Å; V280-K282 VanDerWaalsContact C-N 3.28Å; V280-K282 PolarHBondContact O-N 3.35Å |
| 283 | Y | 94.3 | Very high | 93.6 | Very high | 2 Ų | 2 | 31.7 Ų | 31.7 | 1% | 0.008 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -103.9 | -31.9 | -166.5 | -67.6 | -68.3 | 0 | 0 | 0 | 115.2 | L229 L251 Q254 A255 L258 I279 | L229-Y283 VanDerWaalsContact O-CZ 3.27Å; L229-Y283 PolarHBondContact O-OH 3.49Å; L251-Y283 HydrophobicContact CB-CD1 3.86Å; L251-Y283 HydrophobicContact CB-CE1 3.78Å; L251-Y283 HydrophobicContact CD1-CD1 4.27Å; L251-Y283 HydrophobicContact CD1-CE1 3.86Å; L251-Y283 HydrophobicContact CG-CE1 4.32Å; Q254-Y283 HydrophobicContact CB-CE1 4.34Å; Q254-Y283 HydrophobicContact CG-CE1 4.24Å; Q254-Y283 PolarHBondContact NE2-OH 2.98Å; A255-Y283 HydrophobicContact CB-CD1 3.65Å; A255-Y283 HydrophobicContact CB-CG 3.98Å; L258-Y283 HydrophobicContact CD2-CD2 3.72Å; L258-Y283 HydrophobicContact CD2-CE2 3.55Å; I279-Y283 HydrophobicContact CG2-CD2 4.26Å; I279-Y283 WeakPolarHBondContact O-CB 3.34Å; I279-Y283 WeakPolarHBondContact O-CD2 3.19Å; I279-Y283 PolarHBondContact O-N 3.38Å |
| 284 | F | 94.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | trans | -124.7 | 38.7 | -171.4 | -47.1 | -63.8 | 0 | 0 | 0 | 113.8 | A255 I279 V280 N287 I290 L300 W304 T317 | A255-F284 HydrophobicContact CB-CE1 3.7Å; A255-F284 HydrophobicContact CB-CZ 3.85Å; I279-F284 HydrophobicContact CG2-CD2 4.43Å; I279-F284 HydrophobicContact CG2-CE2 4.05Å; V280-F284 HydrophobicContact CG1-CB 4.34Å; V280-F284 HydrophobicContact CG2-CD2 4.46Å; V280-F284 CarbonylContact O-C 3.19Å; V280-F284 VanDerWaalsContact O-CA 3.3Å; V280-F284 WeakPolarHBondContact O-CA 3.3Å; V280-F284 PolarHBondContact O-N 2.99Å; F284-N287 WeakPolarHBondContact CA-O 3.39Å; F284-N287 WeakPolarHBondContact CB-O 3.33Å; F284-N287 WeakPolarHBondContact CD1-O 3.48Å; F284-I290 HydrophobicContact CD1-CG2 4.14Å; F284-I290 HydrophobicContact CE1-CD1 4.44Å; F284-I290 HydrophobicContact CE1-CG2 3.86Å; F284-L300 HydrophobicContact CB-CD1 4.21Å; F284-L300 HydrophobicContact CD1-CD1 3.56Å; F284-L300 HydrophobicContact CD2-CD1 4.04Å; F284-L300 HydrophobicContact CE1-CD1 3.87Å; F284-L300 HydrophobicContact CE2-CD1 4.33Å; F284-L300 HydrophobicContact CG-CD1 3.65Å; F284-L300 HydrophobicContact CZ-CD1 4.24Å; F284-W304 AromaticContact CD2-CH2 3.78Å; F284-W304 HydrophobicContact CD2-CH2 3.78Å; F284-W304 HydrophobicContact CD2-CZ3 4.23Å; F284-W304 AromaticContact CE2-CH2 3.61Å; F284-W304 HydrophobicContact CE2-CH2 3.61Å; F284-W304 HydrophobicContact CE2-CZ2 4.37Å; F284-W304 HydrophobicContact CE2-CZ3 4.49Å; F284-W304 HydrophobicContact CZ-CH2 4.46Å; F284-T317 WeakPolarHBondContact O-CG2 3.47Å; F284-T317 PolarHBondContact O-OG1 3.5Å | ||
| 285 | P | 91.8 | Very high | 93.3 | Very high | 40 Ų | 40 | 23.3 Ų | 23.3 | 26% | 0.26 | 11% | 0.11 | S | C | . | . | S | Bend | trans | -72.1 | -30.6 | -179.9 | 30.4 | -35.1 | 0 | 0 | 0 | 112.7 | N322 | P285-N322 PolarHBondContact O-ND2 3.37Š|
| 286 | D | 90.3 | Very high | 93.1 | Very high | 9 Ų | 9 | 20.7 Ų | 20.7 | 5% | 0.048 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -131.6 | -0.3 | -176.6 | 66.4 | -35.4 | 0 | 0 | 0 | 113 | S248 Q326 Y330 W375 | S248-D286 WeakPolarHBondContact CB-OD1 3.42Å; S248-D286 PolarHBondContact OG-OD1 3.45Å; S248-D286 PolarHBondContact OG-OD2 3.45Å; D286-Q326 HydrophobicContact CB-CG 3.94Å; D286-Y330 PolarHBondContact OD2-OH 3.19Å; D286-W375 PolarHBondContact O-NE1 3.48Å |
| 287 | N | 90.1 | Very high | 93 | Very high | 10 Ų | 10 | 22 Ų | 22 | 5% | 0.053 | 11% | 0.107 | C | C | . | . | trans | -132.5 | 108.7 | -174.7 | -173.8 | 13.1 | 0 | 0 | 0 | 111.5 | F284 V289 H379 | F284-N287 WeakPolarHBondContact CA-O 3.39Å; F284-N287 WeakPolarHBondContact CB-O 3.33Å; F284-N287 WeakPolarHBondContact CD1-O 3.48Å; N287-V289 PolarHBondContact OD1-O 3.42Å; N287-H379 PolarHBondContact OD1-CE1 2.97Å; N287-H379 PolarHBondContact OD1-NE2 3.34Å | ||
| 288 | W | 92.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.09 | C | C | . | . | trans | -117.1 | -2.9 | 178.6 | 58.2 | 87.7 | 0 | 0 | 0 | 113.5 | L300 T317 L318 V323 W375 H379 I395 I399 | W288-L300 HydrophobicContact CB-CB 4.46Å; W288-L300 WeakPolarHBondContact O-CB 3.29Å; W288-L300 WeakPolarHBondContact O-CG 3.46Å; W288-L300 PolarHBondContact O-N 3.48Å; W288-T317 HydrophobicContact CD2-CG2 4.46Å; W288-T317 HydrophobicContact CE3-CG2 3.55Å; W288-T317 HydrophobicContact CZ3-CG2 4.16Å; W288-L318 HydrophobicContact CB-CD2 4.23Å; W288-L318 HydrophobicContact CD2-CD2 3.89Å; W288-L318 HydrophobicContact CE3-CD2 4.44Å; W288-L318 HydrophobicContact CG-CD2 3.78Å; W288-V323 HydrophobicContact CH2-CB 4.32Å; W288-V323 HydrophobicContact CH2-CG1 4.19Å; W288-V323 HydrophobicContact CH2-CG2 3.77Å; W288-V323 HydrophobicContact CZ2-CG1 4.3Å; W288-V323 HydrophobicContact CZ2-CG2 4.11Å; W288-V323 HydrophobicContact CZ3-CG2 4.45Å; W288-W375 HydrophobicContact CH2-CZ2 4.27Å; W288-H379 AromaticContact CD2-CD2 3.95Å; W288-H379 AromaticContact CD2-NE2 3.79Å; W288-H379 AromaticContact CE2-CD2 3.58Å; W288-H379 AromaticContact CE2-NE2 3.94Å; W288-H379 AromaticContact CE3-NE2 3.99Å; W288-H379 AromaticContact CZ2-CD2 3.77Å; W288-H379 PolarHBondContact N-NE2 3.35Å; W288-H379 AromaticContact NE1-CD2 3.79Å; W288-I395 HydrophobicContact CZ2-CG2 4.22Å; W288-I399 HydrophobicContact CZ2-CD1 3.71Å; W288-I399 HydrophobicContact CZ2-CG1 4.39Å | ||
| 289 | V | 94.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 108.5 | 169.5 | -176.5 | 0 | 0 | 0 | 0 | 108.3 | N287 V298 L378 A384 | N287-V289 PolarHBondContact OD1-O 3.42Å; V289-V298 WeakPolarHBondContact CA-O 3.36Å; V289-L378 HydrophobicContact CB-CB 4.38Å; V289-L378 HydrophobicContact CG1-CB 4.26Å; V289-L378 WeakPolarHBondContact CG1-O 3.32Å; V289-A384 HydrophobicContact CG1-CB 3.52Å; V289-A384 HydrophobicContact CG2-CB 4.4Å |
| 290 | I | 95.1 | Very high | 92.7 | Very high | 8 Ų | 8 | 13.5 Ų | 13.5 | 4% | 0.041 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 160.1 | -172.6 | 65.2 | 169.9 | 0 | 0 | 0 | 111.5 | Y259 F284 I292 T297 V298 L300 | Y259-I290 HydrophobicContact CD1-CD1 4.03Å; Y259-I290 HydrophobicContact CD2-CD1 4.17Å; Y259-I290 HydrophobicContact CG-CD1 3.7Å; F284-I290 HydrophobicContact CD1-CG2 4.14Å; F284-I290 HydrophobicContact CE1-CD1 4.44Å; F284-I290 HydrophobicContact CE1-CG2 3.86Å; I290-I292 HydrophobicContact CD1-CG2 4.07Å; I290-I292 HydrophobicContact CG1-CG2 4.31Å; I290-T297 CarbonylContact O-C 3.07Å; I290-T297 WeakPolarHBondContact O-CA 3.32Å; I290-V298 HydrophobicContact CG1-CB 4.11Å; I290-V298 PolarHBondContact N-O 2.91Å; I290-V298 PolarHBondContact O-N 3.48Å; I290-L300 HydrophobicContact CD1-CD2 3.94Å; I290-L300 HydrophobicContact CG1-CD2 4.31Å |
| 291 | S | 94.1 | Very high | 92.4 | Very high | 11 Ų | 11 | 13.8 Ų | 13.8 | 8% | 0.077 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 121.6 | 167.8 | -175.3 | 0 | 0 | 0 | 0 | 109.1 | A256 G295 I296 | A256-S291 WeakPolarHBondContact CB-O 3.29Å; S291-G295 VanDerWaalsContact OG-CA 3.26Å; S291-G295 WeakPolarHBondContact OG-CA 3.36Å; S291-G295 PolarHBondContact OG-N 3.46Å; S291-I296 CarbonylContact C-O 3.24Å; S291-I296 VanDerWaalsContact CA-O 3.3Å; S291-I296 WeakPolarHBondContact CA-O 3.33Å |
| 292 | I | 93.6 | Very high | 92.1 | Very high | 6 Ų | 6 | 14.4 Ų | 14.4 | 3% | 0.031 | 8% | 0.079 | C | C | . | . | S | Bend | trans | -88 | -31.5 | -175.9 | 61.1 | 168.2 | 0 | 0 | 0 | 113.2 | Y144 L151 Y259 V260 I290 I296 V298 | Y144-I292 PolarHBondContact OH-O 3.08Å; L151-I292 HydrophobicContact CD1-CD1 3.93Å; Y259-I292 HydrophobicContact CD1-CG2 3.57Å; Y259-I292 HydrophobicContact CE1-CG2 3.77Å; V260-I292 HydrophobicContact CG2-CB 4.43Å; V260-I292 HydrophobicContact CG2-CG2 4.49Å; I290-I292 HydrophobicContact CD1-CG2 4.07Å; I290-I292 HydrophobicContact CG1-CG2 4.31Å; I292-I296 HydrophobicContact CD1-CB 4.47Å; I292-I296 HydrophobicContact CD1-CG2 3.85Å; I292-I296 HydrophobicContact CG1-CB 3.85Å; I292-I296 HydrophobicContact CG1-CG2 3.68Å; I292-I296 PolarHBondContact N-O 3.09Å; I292-V298 HydrophobicContact CD1-CG2 4.04Å; I292-V298 HydrophobicContact CG1-CG2 4.17Å; I292-V298 HydrophobicContact CG2-CB 4.27Å; I292-V298 HydrophobicContact CG2-CG2 3.69Å |
| 293 | Y | 92.6 | Very high | 92 | Very high | 7 Ų | 7 | 12.6 Ų | 12.6 | 3% | 0.027 | 7% | 0.072 | C | C | . | . | S | Bend | trans | -165.7 | 127.3 | 176 | -174 | -94.7 | 0 | 0 | 0 | 108.9 | I26 L30 L145 V148 G295 I296 Y615 | I26-Y293 HydrophobicContact CD1-CE2 4.15Å; I26-Y293 HydrophobicContact CG2-CD1 4.15Å; I26-Y293 HydrophobicContact CG2-CE1 3.45Å; I26-Y293 VanDerWaalsContact CG2-CE1 3.45Å; L30-Y293 HydrophobicContact CD1-CE1 4.47Å; L145-Y293 HydrophobicContact CD2-CE2 4.34Å; V148-Y293 HydrophobicContact CG1-CD1 4.28Å; V148-Y293 HydrophobicContact CG1-CD2 4.08Å; V148-Y293 HydrophobicContact CG1-CG 3.81Å; Y293-G295 VanDerWaalsContact C-N 3.29Å; Y293-G295 PolarHBondContact O-N 2.94Å; Y293-G295 VanDerWaalsContact O-N 3.07Å; Y293-I296 WeakPolarHBondContact O-CB 3.41Å; Y293-I296 VanDerWaalsContact O-CG1 3.27Å; Y293-I296 WeakPolarHBondContact O-CG1 3.24Å; Y293-I296 PolarHBondContact O-N 3.5Å; Y293-Y615 PolarHBondContact OH-OH 3.48Å; Y293-Y615 VanDerWaalsContact OH-OH 3.07Å |
| 294 | M | 90.3 | Very high | 92 | Very high | 6 Ų | 6 | 12.5 Ų | 12.5 | 3% | 0.03 | 7% | 0.072 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 38.2 | 54.5 | 175 | -63.4 | -62.9 | -76.3 | 0 | 0 | 113.9 | I296 S555 W558 A592 P596 Y615 | M294-I296 PolarHBondContact O-N 2.91Å; M294-S555 CarbonylContact C-O 3.42Å; M294-W558 HydrophobicContact CB-CB 4.46Å; M294-W558 HydrophobicContact CB-CG 4.33Å; M294-W558 HydrophobicContact CE-CD2 3.52Å; M294-W558 HydrophobicContact CE-CE3 3.62Å; M294-W558 HydrophobicContact CE-CG 3.95Å; M294-W558 HydrophobicContact CE-CH2 4.29Å; M294-W558 HydrophobicContact CE-CZ2 4.23Å; M294-W558 HydrophobicContact CE-CZ3 4.01Å; M294-W558 WeakPolarHBondContact O-CB 3.46Å; M294-A592 HydrophobicContact CE-CB 4.4Å; M294-P596 HydrophobicContact SD-CG 4.49Å; M294-Y615 HydrophobicContact CE-CD1 3.94Å; M294-Y615 HydrophobicContact CE-CE1 3.96Å; M294-Y615 HydrophobicContact CG-CE1 4.33Å |
| 295 | G | 88.8 | Confident | 91.8 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.7 | 1.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | S291 Y293 T297 S555 F556 | S291-G295 VanDerWaalsContact OG-CA 3.26Å; S291-G295 WeakPolarHBondContact OG-CA 3.36Å; S291-G295 PolarHBondContact OG-N 3.46Å; Y293-G295 VanDerWaalsContact C-N 3.29Å; Y293-G295 PolarHBondContact O-N 2.94Å; Y293-G295 VanDerWaalsContact O-N 3.07Å; G295-T297 PolarHBondContact O-N 3.36Å; G295-S555 PolarHBondContact N-O 3.5Å; G295-S555 VanDerWaalsContact N-O 3.15Å; G295-F556 WeakPolarHBondContact CA-O 3.41Å |
| 296 | I | 91.6 | Very high | 91.8 | Very high | 7 Ų | 7 | 17.8 Ų | 17.8 | 4% | 0.036 | 10% | 0.099 | C | C | . | . | trans | -66 | 108.7 | 171 | -62.2 | 169.6 | 0 | 0 | 0 | 108.3 | V152 S291 I292 Y293 M294 | V152-I296 HydrophobicContact CG2-CD1 3.86Å; S291-I296 CarbonylContact C-O 3.24Å; S291-I296 VanDerWaalsContact CA-O 3.3Å; S291-I296 WeakPolarHBondContact CA-O 3.33Å; I292-I296 HydrophobicContact CD1-CB 4.47Å; I292-I296 HydrophobicContact CD1-CG2 3.85Å; I292-I296 HydrophobicContact CG1-CB 3.85Å; I292-I296 HydrophobicContact CG1-CG2 3.68Å; I292-I296 PolarHBondContact N-O 3.09Å; Y293-I296 WeakPolarHBondContact O-CB 3.41Å; Y293-I296 VanDerWaalsContact O-CG1 3.27Å; Y293-I296 WeakPolarHBondContact O-CG1 3.24Å; Y293-I296 PolarHBondContact O-N 3.5Å; M294-I296 PolarHBondContact O-N 2.91Å | ||
| 297 | T | 92.6 | Very high | 92 | Very high | 28 Ų | 28 | 17.3 Ų | 17.3 | 17% | 0.172 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 142.1 | -177.3 | 50.6 | 0 | 0 | 0 | 0 | 112.5 | I290 G295 L378 S383 L560 | I290-T297 CarbonylContact O-C 3.07Å; I290-T297 WeakPolarHBondContact O-CA 3.32Å; G295-T297 PolarHBondContact O-N 3.36Å; T297-L378 HydrophobicContact CG2-CD2 4.11Å; T297-S383 PolarHBondContact OG1-OG 2.86Å; T297-L560 HydrophobicContact CG2-CD1 3.95Å; T297-L560 HydrophobicContact CG2-CD2 3.78Å; T297-L560 HydrophobicContact CG2-CG 4.08Å |
| 298 | V | 91.9 | Very high | 92.2 | Very high | 21 Ų | 21 | 23.8 Ų | 23.8 | 13% | 0.127 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 129.5 | 174.7 | 176.3 | 0 | 0 | 0 | 0 | 108.9 | Y259 V289 I290 I292 A303 | Y259-V298 HydrophobicContact CE1-CG1 4.11Å; Y259-V298 HydrophobicContact CE1-CG2 4.25Å; Y259-V298 HydrophobicContact CE2-CG1 4.08Å; Y259-V298 WeakPolarHBondContact OH-CG1 3.16Å; V289-V298 WeakPolarHBondContact CA-O 3.36Å; I290-V298 HydrophobicContact CG1-CB 4.11Å; I290-V298 PolarHBondContact N-O 2.91Å; I290-V298 PolarHBondContact O-N 3.48Å; I292-V298 HydrophobicContact CD1-CG2 4.04Å; I292-V298 HydrophobicContact CG1-CG2 4.17Å; I292-V298 HydrophobicContact CG2-CB 4.27Å; I292-V298 HydrophobicContact CG2-CG2 3.69Å; V298-A303 HydrophobicContact CG1-CB 3.7Å |
| 299 | N | 92.4 | Very high | 92.3 | Very high | 10 Ų | 10 | 23.9 Ų | 23.9 | 5% | 0.053 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 114.3 | 170.5 | -172.1 | -25.8 | 0 | 0 | 0 | 109.7 | V301 D302 A303 A384 | N299-V301 PolarHBondContact O-N 3.34Å; N299-V301 WeakPolarHBondContact OD1-CB 3.15Å; N299-V301 VanDerWaalsContact OD1-CG2 3.28Å; N299-V301 WeakPolarHBondContact OD1-CG2 3.44Å; N299-V301 PolarHBondContact OD1-N 3.49Å; N299-D302 PolarHBondContact O-N 2.57Å; N299-D302 VanDerWaalsContact O-N 3.12Å; N299-A303 WeakPolarHBondContact O-CB 3.36Å; N299-A303 PolarHBondContact O-N 3.13Å; N299-A384 WeakPolarHBondContact CB-O 3.25Å; N299-A384 PolarHBondContact ND2-O 3.46Å |
| 300 | L | 93.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -62.8 | -25.8 | -177 | -64 | -176 | 0 | 0 | 0 | 112.6 | Y259 F284 W288 I290 D302 W304 L314 | Y259-L300 HydrophobicContact CD2-CD2 3.42Å; Y259-L300 VanDerWaalsContact CD2-CD2 3.42Å; Y259-L300 HydrophobicContact CE2-CD2 3.61Å; Y259-L300 HydrophobicContact CG-CD2 4.35Å; F284-L300 HydrophobicContact CB-CD1 4.21Å; F284-L300 HydrophobicContact CD1-CD1 3.56Å; F284-L300 HydrophobicContact CD2-CD1 4.04Å; F284-L300 HydrophobicContact CE1-CD1 3.87Å; F284-L300 HydrophobicContact CE2-CD1 4.33Å; F284-L300 HydrophobicContact CG-CD1 3.65Å; F284-L300 HydrophobicContact CZ-CD1 4.24Å; W288-L300 HydrophobicContact CB-CB 4.46Å; W288-L300 WeakPolarHBondContact O-CB 3.29Å; W288-L300 WeakPolarHBondContact O-CG 3.46Å; W288-L300 PolarHBondContact O-N 3.48Å; I290-L300 HydrophobicContact CD1-CD2 3.94Å; I290-L300 HydrophobicContact CG1-CD2 4.31Å; L300-D302 VanDerWaalsContact C-N 3.28Å; L300-D302 PolarHBondContact O-N 2.9Å; L300-W304 HydrophobicContact CB-CE3 4.25Å; L300-W304 HydrophobicContact CD1-CE3 4.46Å; L300-W304 HydrophobicContact CD1-CH2 4.11Å; L300-W304 HydrophobicContact CD1-CZ3 4Å; L300-W304 HydrophobicContact CD2-CD2 4.34Å; L300-W304 HydrophobicContact CD2-CH2 4.42Å; L300-W304 HydrophobicContact CD2-CZ2 4.17Å; L300-W304 VanDerWaalsContact O-CB 3.3Å; L300-W304 WeakPolarHBondContact O-CB 3.46Å; L300-W304 PolarHBondContact O-N 2.91Å; L300-L314 HydrophobicContact CB-CD2 3.83Å |
| 301 | V | 89.7 | Confident | 92.3 | Very high | 6 Ų | 6 | 26.9 Ų | 26.9 | 4% | 0.036 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.9 | -36.7 | 177.7 | -162.7 | 0 | 0 | 0 | 0 | 111.1 | N299 E305 L314 L318 F392 | N299-V301 PolarHBondContact O-N 3.34Å; N299-V301 WeakPolarHBondContact OD1-CB 3.15Å; N299-V301 VanDerWaalsContact OD1-CG2 3.28Å; N299-V301 WeakPolarHBondContact OD1-CG2 3.44Å; N299-V301 PolarHBondContact OD1-N 3.49Å; V301-E305 WeakPolarHBondContact O-CB 3.45Å; V301-E305 PolarHBondContact O-N 2.74Å; V301-L314 HydrophobicContact CG2-CD2 4.31Å; V301-L318 HydrophobicContact CB-CD1 4.28Å; V301-L318 HydrophobicContact CG1-CD1 3.82Å; V301-L318 HydrophobicContact CG2-CD1 3.56Å; V301-L318 HydrophobicContact CG2-CD2 3.5Å; V301-L318 VanDerWaalsContact CG2-CD2 3.5Å; V301-L318 HydrophobicContact CG2-CG 4.15Å; V301-F392 HydrophobicContact CB-CD1 4.45Å; V301-F392 HydrophobicContact CB-CE1 3.76Å; V301-F392 HydrophobicContact CB-CZ 4.36Å; V301-F392 HydrophobicContact CG1-CD1 4.26Å; V301-F392 HydrophobicContact CG1-CE1 3.5Å; V301-F392 HydrophobicContact CG1-CZ 4.36Å |
| 302 | D | 88.3 | Confident | 92.3 | Very high | 85 Ų | 85 | 28.9 Ų | 28.9 | 46% | 0.455 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -83 | -47.5 | 176.4 | -172.7 | 49.5 | 0 | 0 | 0 | 111.6 | N299 L300 W304 E305 F392 | N299-D302 PolarHBondContact O-N 2.57Å; N299-D302 VanDerWaalsContact O-N 3.12Å; L300-D302 VanDerWaalsContact C-N 3.28Å; L300-D302 PolarHBondContact O-N 2.9Å; D302-W304 PolarHBondContact O-N 3.04Å; D302-E305 PolarHBondContact O-N 3.3Å; D302-F392 HydrophobicContact CB-CE2 3.73Å; D302-F392 HydrophobicContact CB-CZ 3.66Å |
| 303 | A | 90.2 | Very high | 92.3 | Very high | 8 Ų | 8 | 28.9 Ų | 28.9 | 7% | 0.066 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.4 | -33.2 | -178 | 0 | 0 | 0 | 0 | 0 | 112.6 | R203 Y259 V298 N299 Y307 | R203-A303 PolarHBondContact NH1-O 3.48Å; Y259-A303 HydrophobicContact CE2-CB 3.93Å; Y259-A303 WeakPolarHBondContact OH-CB 3.45Å; V298-A303 HydrophobicContact CG1-CB 3.7Å; N299-A303 WeakPolarHBondContact O-CB 3.36Å; N299-A303 PolarHBondContact O-N 3.13Å; A303-Y307 WeakPolarHBondContact O-CE2 3.32Å |
| 304 | W | 93.3 | Very high | 92.3 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 0% | 0.004 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | 1.3 | -179.6 | -67 | -15.9 | 0 | 0 | 0 | 116.1 | Y259 L262 M276 V280 F284 L300 D302 P306 Y307 A310 L314 | Y259-W304 AromaticContact CD2-CE2 3.96Å; Y259-W304 AromaticContact CD2-CZ2 3.94Å; Y259-W304 HydrophobicContact CD2-CZ2 3.94Å; Y259-W304 AromaticContact CD2-NE1 3.67Å; Y259-W304 AromaticContact CE2-NE1 3.58Å; L262-W304 HydrophobicContact CD1-CZ2 4.2Å; M276-W304 HydrophobicContact CE-CE3 4.5Å; M276-W304 HydrophobicContact CE-CH2 3.86Å; M276-W304 HydrophobicContact CE-CZ2 4.18Å; M276-W304 HydrophobicContact CE-CZ3 4.04Å; V280-W304 HydrophobicContact CG2-CH2 4.45Å; V280-W304 HydrophobicContact CG2-CZ3 3.86Å; F284-W304 AromaticContact CD2-CH2 3.78Å; F284-W304 HydrophobicContact CD2-CH2 3.78Å; F284-W304 HydrophobicContact CD2-CZ3 4.23Å; F284-W304 AromaticContact CE2-CH2 3.61Å; F284-W304 HydrophobicContact CE2-CH2 3.61Å; F284-W304 HydrophobicContact CE2-CZ2 4.37Å; F284-W304 HydrophobicContact CE2-CZ3 4.49Å; F284-W304 HydrophobicContact CZ-CH2 4.46Å; L300-W304 HydrophobicContact CB-CE3 4.25Å; L300-W304 HydrophobicContact CD1-CE3 4.46Å; L300-W304 HydrophobicContact CD1-CH2 4.11Å; L300-W304 HydrophobicContact CD1-CZ3 4Å; L300-W304 HydrophobicContact CD2-CD2 4.34Å; L300-W304 HydrophobicContact CD2-CH2 4.42Å; L300-W304 HydrophobicContact CD2-CZ2 4.17Å; L300-W304 VanDerWaalsContact O-CB 3.3Å; L300-W304 WeakPolarHBondContact O-CB 3.46Å; L300-W304 PolarHBondContact O-N 2.91Å; D302-W304 PolarHBondContact O-N 3.04Å; W304-P306 VanDerWaalsContact C-N 3.34Å; W304-Y307 PolarHBondContact O-N 3Å; W304-A310 HydrophobicContact CB-CB 3.89Å; W304-A310 HydrophobicContact CD2-CB 3.84Å; W304-A310 HydrophobicContact CE3-CB 3.98Å; W304-A310 HydrophobicContact CG-CB 3.84Å; W304-L314 HydrophobicContact CE3-CD2 4.28Å; W304-L314 HydrophobicContact CZ3-CD1 4.38Å |
| 305 | E | 90.4 | Very high | 92.3 | Very high | 81 Ų | 81 | 31.8 Ų | 31.8 | 38% | 0.379 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -40.5 | 178.7 | -173.2 | 60.3 | -168 | 0 | 0 | 114.7 | V301 D302 Y307 K311 | V301-E305 WeakPolarHBondContact O-CB 3.45Å; V301-E305 PolarHBondContact O-N 2.74Å; D302-E305 PolarHBondContact O-N 3.3Å; E305-Y307 VanDerWaalsContact C-N 3.3Å; E305-Y307 PolarHBondContact O-N 2.93Å; E305-K311 IonicContact OE1-NZ 2.67Å; E305-K311 PolarHBondContact OE1-NZ 2.77Å; E305-K311 VanDerWaalsContact OE2-CE 3.26Å; E305-K311 WeakPolarHBondContact OE2-CE 3.07Å; E305-K311 IonicContact OE2-NZ 3.21Å; E305-K311 PolarHBondContact OE2-NZ 2.97Å |
| 306 | P | 91.6 | Very high | 92.2 | Very high | 69 Ų | 69 | 36.9 Ų | 36.9 | 45% | 0.448 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -11 | -180 | 29.7 | -33.2 | 0 | 0 | 0 | 114.2 | W304 | W304-P306 VanDerWaalsContact C-N 3.34Š|
| 307 | Y | 94.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -105 | 110.9 | -173.7 | -50.4 | -80.3 | 0 | 0 | 0 | 112 | R203 E209 Y263 L269 H270 A303 W304 E305 A309 A310 K311 | R203-Y307 PolarHBondContact NH2-OH 3.3Å; E209-Y307 PolarHBondContact OE2-OH 3.29Å; Y263-Y307 AromaticContact CE1-CE2 3.8Å; Y263-Y307 HydrophobicContact CE1-CE2 3.8Å; Y263-Y307 AromaticContact CE1-CZ 3.83Å; Y263-Y307 WeakPolarHBondContact CE1-OH 3.21Å; L269-Y307 HydrophobicContact CB-CD1 3.63Å; L269-Y307 HydrophobicContact CB-CD2 4.38Å; L269-Y307 HydrophobicContact CB-CE1 4.39Å; L269-Y307 HydrophobicContact CB-CG 3.67Å; L269-Y307 HydrophobicContact CD1-CD1 4.12Å; L269-Y307 HydrophobicContact CD1-CD2 4.26Å; L269-Y307 HydrophobicContact CD1-CE1 4.11Å; L269-Y307 HydrophobicContact CD1-CE2 4.2Å; L269-Y307 HydrophobicContact CD1-CG 4.24Å; L269-Y307 HydrophobicContact CG-CG 4.48Å; L269-Y307 WeakPolarHBondContact O-CB 3.45Å; H270-Y307 AromaticContact CD2-CD1 3.67Å; H270-Y307 AromaticContact CE1-CD1 3.52Å; H270-Y307 AromaticContact NE2-CD1 3.28Å; H270-Y307 VanDerWaalsContact NE2-CD1 3.28Å; H270-Y307 WeakPolarHBondContact NE2-CD1 3.44Å; H270-Y307 AromaticContact NE2-CE1 3.59Å; A303-Y307 WeakPolarHBondContact O-CE2 3.32Å; W304-Y307 PolarHBondContact O-N 3Å; E305-Y307 VanDerWaalsContact C-N 3.3Å; E305-Y307 PolarHBondContact O-N 2.93Å; Y307-A309 PolarHBondContact O-N 3.22Å; Y307-A310 PolarHBondContact O-N 3.43Å; Y307-K311 WeakPolarHBondContact O-CB 3.39Å; Y307-K311 PolarHBondContact O-N 3.32Å | ||
| 308 | K | 94.5 | Very high | 92 | Very high | 146 Ų | 146 | 36 Ų | 36 | 64% | 0.635 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -58.5 | -47.6 | -171.4 | -173 | -179.6 | 179.2 | -178.1 | 0 | 114.1 | T312 | K308-T312 WeakPolarHBondContact O-CB 3.42Å; K308-T312 PolarHBondContact O-N 3.48Å; K308-T312 PolarHBondContact O-OG1 3.07Å |
| 309 | A | 95.4 | Very high | 91.9 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.008 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -70 | -42.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L269 H270 Q273 M276 Y307 T312 A313 | L269-A309 WeakPolarHBondContact O-CA 3.42Å; L269-A309 VanDerWaalsContact O-CB 3.28Å; L269-A309 WeakPolarHBondContact O-CB 3.35Å; L269-A309 PolarHBondContact O-N 2.75Å; H270-A309 PolarHBondContact O-N 3.17Å; Q273-A309 HydrophobicContact CG-CB 4.01Å; M276-A309 HydrophobicContact CB-CB 4.45Å; M276-A309 HydrophobicContact CG-CB 4.16Å; Y307-A309 PolarHBondContact O-N 3.22Å; A309-T312 PolarHBondContact O-N 3.11Å; A309-A313 WeakPolarHBondContact O-CB 3.39Å; A309-A313 PolarHBondContact O-N 3.19Å |
| 310 | A | 94.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.4 | -48.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L269 M276 W304 Y307 T312 A313 L314 | L269-A310 HydrophobicContact CD2-CB 3.88Å; L269-A310 PolarHBondContact O-N 2.81Å; M276-A310 HydrophobicContact CE-CB 3.75Å; W304-A310 HydrophobicContact CB-CB 3.89Å; W304-A310 HydrophobicContact CD2-CB 3.84Å; W304-A310 HydrophobicContact CE3-CB 3.98Å; W304-A310 HydrophobicContact CG-CB 3.84Å; Y307-A310 PolarHBondContact O-N 3.43Å; A310-T312 VanDerWaalsContact C-N 3.29Å; A310-T312 PolarHBondContact O-N 3.15Å; A310-A313 PolarHBondContact O-N 3.4Å; A310-L314 PolarHBondContact O-N 2.93Å |
| 311 | K | 94.1 | Very high | 91.5 | Very high | 71 Ų | 71 | 46.5 Ų | 46.5 | 31% | 0.309 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -56.9 | -42.8 | 175 | -178.8 | 176.4 | 179.1 | 170.3 | 0 | 112.1 | E305 Y307 L314 N315 | E305-K311 IonicContact OE1-NZ 2.67Å; E305-K311 PolarHBondContact OE1-NZ 2.77Å; E305-K311 VanDerWaalsContact OE2-CE 3.26Å; E305-K311 WeakPolarHBondContact OE2-CE 3.07Å; E305-K311 IonicContact OE2-NZ 3.21Å; E305-K311 PolarHBondContact OE2-NZ 2.97Å; Y307-K311 WeakPolarHBondContact O-CB 3.39Å; Y307-K311 PolarHBondContact O-N 3.32Å; K311-L314 PolarHBondContact O-N 3.38Å; K311-N315 PolarHBondContact O-N 2.91Å; K311-N315 PolarHBondContact O-OD1 3.13Å |
| 312 | T | 93.9 | Very high | 91.6 | Very high | 54 Ų | 54 | 47.5 Ų | 47.5 | 33% | 0.331 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -66.9 | -41 | 179.5 | -56.2 | 0 | 0 | 0 | 0 | 111.7 | K308 A309 A310 L314 N315 | K308-T312 WeakPolarHBondContact O-CB 3.42Å; K308-T312 PolarHBondContact O-N 3.48Å; K308-T312 PolarHBondContact O-OG1 3.07Å; A309-T312 PolarHBondContact O-N 3.11Å; A310-T312 VanDerWaalsContact C-N 3.29Å; A310-T312 PolarHBondContact O-N 3.15Å; T312-L314 VanDerWaalsContact C-N 3.35Å; T312-N315 PolarHBondContact O-N 3.1Å |
| 313 | A | 94.1 | Very high | 91.7 | Very high | 6 Ų | 6 | 43.5 Ų | 43.5 | 5% | 0.05 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64 | -39.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | M276 V280 A309 A310 N315 | M276-A313 HydrophobicContact CB-CB 3.97Å; V280-A313 HydrophobicContact CB-CB 4.12Å; V280-A313 HydrophobicContact CG2-CB 3.68Å; A309-A313 WeakPolarHBondContact O-CB 3.39Å; A309-A313 PolarHBondContact O-N 3.19Å; A310-A313 PolarHBondContact O-N 3.4Å; A313-N315 VanDerWaalsContact C-N 3.28Å; A313-N315 PolarHBondContact O-N 3.31Å |
| 314 | L | 93.5 | Very high | 91.9 | Very high | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -72.1 | -16.1 | -178.3 | -161.2 | 66.3 | 0 | 0 | 0 | 114.1 | V280 L300 V301 W304 A310 K311 T312 N316 T317 L318 | V280-L314 HydrophobicContact CG1-CD1 4.24Å; L300-L314 HydrophobicContact CB-CD2 3.83Å; V301-L314 HydrophobicContact CG2-CD2 4.31Å; W304-L314 HydrophobicContact CE3-CD2 4.28Å; W304-L314 HydrophobicContact CZ3-CD1 4.38Å; A310-L314 PolarHBondContact O-N 2.93Å; K311-L314 PolarHBondContact O-N 3.38Å; T312-L314 VanDerWaalsContact C-N 3.35Å; L314-N316 VanDerWaalsContact C-N 3.26Å; L314-N316 PolarHBondContact O-N 3.42Å; L314-T317 HydrophobicContact CD1-CG2 4.37Å; L314-T317 WeakPolarHBondContact O-CB 3.44Å; L314-T317 PolarHBondContact O-N 2.91Å; L314-T317 VanDerWaalsContact O-N 3.16Å; L314-L318 HydrophobicContact CB-CD1 4.47Å; L314-L318 HydrophobicContact CD2-CD1 3.82Å; L314-L318 HydrophobicContact CD2-CG 4.38Å; L314-L318 HydrophobicContact CG-CD1 3.82Å; L314-L318 HydrophobicContact CG-CG 4.01Å; L314-L318 WeakPolarHBondContact O-CG 3.37Å; L314-L318 PolarHBondContact O-N 2.99Å; L314-L318 VanDerWaalsContact O-N 3.08Å |
| 315 | N | 90.8 | Very high | 91.9 | Very high | 69 Ų | 69 | 54.9 Ų | 54.9 | 37% | 0.369 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -33.7 | -176.8 | -76.8 | -27.7 | 0 | 0 | 0 | 113.5 | K311 T312 A313 L318 D319 | K311-N315 PolarHBondContact O-N 2.91Å; K311-N315 PolarHBondContact O-OD1 3.13Å; T312-N315 PolarHBondContact O-N 3.1Å; A313-N315 VanDerWaalsContact C-N 3.28Å; A313-N315 PolarHBondContact O-N 3.31Å; N315-L318 PolarHBondContact O-N 2.95Å; N315-D319 PolarHBondContact O-N 2.97Å; N315-D319 VanDerWaalsContact O-N 3.13Å |
| 316 | N | 86.5 | Confident | 92 | Very high | 107 Ų | 107 | 51.8 Ų | 51.8 | 57% | 0.572 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -42.2 | 177.9 | -70.6 | -9.3 | 0 | 0 | 0 | 111.4 | L314 L318 D319 | L314-N316 VanDerWaalsContact C-N 3.26Å; L314-N316 PolarHBondContact O-N 3.42Å; N316-L318 VanDerWaalsContact C-N 3.29Å; N316-L318 PolarHBondContact O-N 2.93Å; N316-D319 WeakPolarHBondContact O-CB 3.26Å; N316-D319 PolarHBondContact O-N 3.12Å |
| 317 | T | 89.6 | Confident | 92.1 | Very high | 3 Ų | 3 | 48.5 Ų | 48.5 | 2% | 0.018 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -40.5 | 174.9 | -55.9 | 0 | 0 | 0 | 0 | 111.5 | V280 F284 W288 L314 D319 N322 | V280-T317 WeakPolarHBondContact CG1-OG1 3.33Å; F284-T317 WeakPolarHBondContact O-CG2 3.47Å; F284-T317 PolarHBondContact O-OG1 3.5Å; W288-T317 HydrophobicContact CD2-CG2 4.46Å; W288-T317 HydrophobicContact CE3-CG2 3.55Å; W288-T317 HydrophobicContact CZ3-CG2 4.16Å; L314-T317 HydrophobicContact CD1-CG2 4.37Å; L314-T317 WeakPolarHBondContact O-CB 3.44Å; L314-T317 PolarHBondContact O-N 2.91Å; L314-T317 VanDerWaalsContact O-N 3.16Å; T317-D319 VanDerWaalsContact C-N 3.31Å; T317-D319 PolarHBondContact O-N 3.32Å; T317-N322 PolarHBondContact O-ND2 3.35Å |
| 318 | L | 89 | Confident | 92.1 | Very high | 14 Ų | 14 | 51 Ų | 51 | 7% | 0.073 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | 6.5 | -176.7 | -59.4 | 172.6 | 0 | 0 | 0 | 113.9 | W288 V301 L314 N315 N316 L320 | W288-L318 HydrophobicContact CB-CD2 4.23Å; W288-L318 HydrophobicContact CD2-CD2 3.89Å; W288-L318 HydrophobicContact CE3-CD2 4.44Å; W288-L318 HydrophobicContact CG-CD2 3.78Å; V301-L318 HydrophobicContact CB-CD1 4.28Å; V301-L318 HydrophobicContact CG1-CD1 3.82Å; V301-L318 HydrophobicContact CG2-CD1 3.56Å; V301-L318 HydrophobicContact CG2-CD2 3.5Å; V301-L318 VanDerWaalsContact CG2-CD2 3.5Å; V301-L318 HydrophobicContact CG2-CG 4.15Å; L314-L318 HydrophobicContact CB-CD1 4.47Å; L314-L318 HydrophobicContact CD2-CD1 3.82Å; L314-L318 HydrophobicContact CD2-CG 4.38Å; L314-L318 HydrophobicContact CG-CD1 3.82Å; L314-L318 HydrophobicContact CG-CG 4.01Å; L314-L318 WeakPolarHBondContact O-CG 3.37Å; L314-L318 PolarHBondContact O-N 2.99Å; L314-L318 VanDerWaalsContact O-N 3.08Å; N315-L318 PolarHBondContact O-N 2.95Å; N316-L318 VanDerWaalsContact C-N 3.29Å; N316-L318 PolarHBondContact O-N 2.93Å; L318-L320 PolarHBondContact O-N 2.97Å |
| 319 | D | 90.6 | Very high | 92.1 | Very high | 78 Ų | 78 | 47.4 Ų | 47.4 | 42% | 0.417 | 24% | 0.244 | S | C | . | . | trans | -60.6 | 135.2 | 173.8 | -173.6 | 78.1 | 0 | 0 | 0 | 109.5 | N315 N316 T317 S321 N322 V323 | N315-D319 PolarHBondContact O-N 2.97Å; N315-D319 VanDerWaalsContact O-N 3.13Å; N316-D319 WeakPolarHBondContact O-CB 3.26Å; N316-D319 PolarHBondContact O-N 3.12Å; T317-D319 VanDerWaalsContact C-N 3.31Å; T317-D319 PolarHBondContact O-N 3.32Å; D319-S321 PolarHBondContact O-N 3.4Å; D319-S321 VanDerWaalsContact OD2-CB 3.26Å; D319-S321 WeakPolarHBondContact OD2-CB 3.46Å; D319-S321 PolarHBondContact OD2-N 3.26Å; D319-S321 PolarHBondContact OD2-OG 3.14Å; D319-N322 PolarHBondContact O-N 3.02Å; D319-N322 VanDerWaalsContact O-N 3.08Å; D319-V323 WeakPolarHBondContact O-CG2 3.43Å; D319-V323 PolarHBondContact O-N 2.86Å | ||
| 320 | L | 86.7 | Confident | 92 | Very high | 94 Ų | 94 | 47.5 Ų | 47.5 | 49% | 0.492 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -57.9 | -35.6 | -175.5 | -72.5 | 172.2 | 0 | 0 | 0 | 111.4 | L318 V323 R324 | L318-L320 PolarHBondContact O-N 2.97Å; L320-V323 PolarHBondContact O-N 3.44Å; L320-R324 VanDerWaalsContact O-CG 3.23Å; L320-R324 WeakPolarHBondContact O-CG 3.38Å; L320-R324 PolarHBondContact O-N 3.4Å |
| 321 | S | 90.5 | Very high | 91.9 | Very high | 79 Ų | 79 | 47.9 Ų | 47.9 | 55% | 0.552 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -62.5 | -45.1 | 177.9 | 67.5 | 0 | 0 | 0 | 0 | 112 | D319 R324 E325 | D319-S321 PolarHBondContact O-N 3.4Å; D319-S321 VanDerWaalsContact OD2-CB 3.26Å; D319-S321 WeakPolarHBondContact OD2-CB 3.46Å; D319-S321 PolarHBondContact OD2-N 3.26Å; D319-S321 PolarHBondContact OD2-OG 3.14Å; S321-R324 PolarHBondContact O-N 3.49Å; S321-E325 WeakPolarHBondContact O-CB 3.05Å; S321-E325 PolarHBondContact O-N 3.07Å |
| 322 | N | 91.4 | Very high | 91.9 | Very high | 28 Ų | 28 | 49 Ų | 49 | 15% | 0.15 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.9 | -44.9 | 176.8 | -175.3 | 50.5 | 0 | 0 | 0 | 111.3 | P285 T317 D319 R324 E325 Q326 | P285-N322 PolarHBondContact O-ND2 3.37Å; T317-N322 PolarHBondContact O-ND2 3.35Å; D319-N322 PolarHBondContact O-N 3.02Å; D319-N322 VanDerWaalsContact O-N 3.08Å; N322-R324 VanDerWaalsContact C-N 3.3Å; N322-R324 PolarHBondContact O-N 3.22Å; N322-E325 PolarHBondContact O-N 3.41Å; N322-Q326 WeakPolarHBondContact O-CG 3.45Å; N322-Q326 PolarHBondContact O-N 3.28Å; N322-Q326 PolarHBondContact OD1-NE2 3.38Å; N322-Q326 VanDerWaalsContact OD1-NE2 3.16Å |
| 323 | V | 91.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -57.2 | -44.9 | 177.5 | 176 | 0 | 0 | 0 | 0 | 110.9 | W288 D319 L320 A327 I399 | W288-V323 HydrophobicContact CH2-CB 4.32Å; W288-V323 HydrophobicContact CH2-CG1 4.19Å; W288-V323 HydrophobicContact CH2-CG2 3.77Å; W288-V323 HydrophobicContact CZ2-CG1 4.3Å; W288-V323 HydrophobicContact CZ2-CG2 4.11Å; W288-V323 HydrophobicContact CZ3-CG2 4.45Å; D319-V323 WeakPolarHBondContact O-CG2 3.43Å; D319-V323 PolarHBondContact O-N 2.86Å; L320-V323 PolarHBondContact O-N 3.44Å; V323-A327 VanDerWaalsContact O-CB 3.28Å; V323-A327 WeakPolarHBondContact O-CB 3.4Å; V323-A327 PolarHBondContact O-N 2.9Å; V323-I399 HydrophobicContact CG1-CG1 3.83Å |
| 324 | R | 93.1 | Very high | 91.7 | Very high | 124 Ų | 124 | 48 Ų | 48 | 47% | 0.468 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -65.3 | -42.6 | 177.1 | -66.2 | -159.2 | 178.4 | 143.6 | 2.1 | 112.3 | L320 S321 N322 S328 Q398 D402 | L320-R324 VanDerWaalsContact O-CG 3.23Å; L320-R324 WeakPolarHBondContact O-CG 3.38Å; L320-R324 PolarHBondContact O-N 3.4Å; S321-R324 PolarHBondContact O-N 3.49Å; N322-R324 VanDerWaalsContact C-N 3.3Å; N322-R324 PolarHBondContact O-N 3.22Å; R324-S328 VanDerWaalsContact O-CB 3.26Å; R324-S328 WeakPolarHBondContact O-CB 3.28Å; R324-S328 PolarHBondContact O-N 3.36Å; R324-S328 PolarHBondContact O-OG 2.89Å; R324-Q398 HydrophobicContact CG-CG 4.02Å; R324-Q398 VanDerWaalsContact NE-CD 3.31Å; R324-D402 WeakPolarHBondContact CA-OD2 3.41Å; R324-D402 WeakPolarHBondContact CB-OD2 3.43Å; R324-D402 WeakPolarHBondContact CG-OD2 3.48Å |
| 325 | E | 93.4 | Very high | 91.7 | Very high | 124 Ų | 124 | 52.8 Ų | 52.8 | 58% | 0.579 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -60.3 | -51.5 | 178.3 | -175.5 | -177.8 | 164.3 | 0 | 0 | 110.9 | S321 N322 S328 R329 | S321-E325 WeakPolarHBondContact O-CB 3.05Å; S321-E325 PolarHBondContact O-N 3.07Å; N322-E325 PolarHBondContact O-N 3.41Å; E325-S328 PolarHBondContact O-N 3.27Å; E325-R329 VanDerWaalsContact O-CB 3.24Å; E325-R329 WeakPolarHBondContact O-CB 3.45Å; E325-R329 PolarHBondContact O-N 3.17Å |
| 326 | Q | 93.6 | Very high | 91.8 | Very high | 17 Ų | 17 | 55.3 Ų | 55.3 | 8% | 0.079 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.8 | -45.3 | 179.6 | -59.9 | -47 | -35.2 | 0 | 0 | 111.7 | D286 N322 S328 R329 Y330 W375 | D286-Q326 HydrophobicContact CB-CG 3.94Å; N322-Q326 WeakPolarHBondContact O-CG 3.45Å; N322-Q326 PolarHBondContact O-N 3.28Å; N322-Q326 PolarHBondContact OD1-NE2 3.38Å; N322-Q326 VanDerWaalsContact OD1-NE2 3.16Å; Q326-S328 PolarHBondContact O-N 3.25Å; Q326-R329 WeakPolarHBondContact O-CB 3.45Å; Q326-R329 PolarHBondContact O-N 3.15Å; Q326-Y330 WeakPolarHBondContact O-CD2 3.24Å; Q326-Y330 PolarHBondContact O-N 3.39Å; Q326-W375 HydrophobicContact CB-CZ2 3.96Å |
| 327 | A | 93.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.4 | -46.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | V323 R329 Y330 A331 W375 D402 S403 | V323-A327 VanDerWaalsContact O-CB 3.28Å; V323-A327 WeakPolarHBondContact O-CB 3.4Å; V323-A327 PolarHBondContact O-N 2.9Å; A327-R329 VanDerWaalsContact C-N 3.32Å; A327-R329 PolarHBondContact O-N 3.5Å; A327-Y330 PolarHBondContact O-N 3.46Å; A327-A331 PolarHBondContact O-N 2.88Å; A327-W375 HydrophobicContact CB-CH2 4.19Å; A327-D402 HydrophobicContact CB-CB 3.68Å; A327-S403 WeakPolarHBondContact O-CA 3.41Å |
| 328 | S | 94.4 | Very high | 92.3 | Very high | 52 Ų | 52 | 51.8 Ų | 51.8 | 36% | 0.364 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -65.1 | -36.1 | 177.8 | -58.8 | 0 | 0 | 0 | 0 | 112.3 | R324 E325 Q326 A331 T332 | R324-S328 VanDerWaalsContact O-CB 3.26Å; R324-S328 WeakPolarHBondContact O-CB 3.28Å; R324-S328 PolarHBondContact O-N 3.36Å; R324-S328 PolarHBondContact O-OG 2.89Å; E325-S328 PolarHBondContact O-N 3.27Å; Q326-S328 PolarHBondContact O-N 3.25Å; S328-A331 PolarHBondContact O-N 3.02Å; S328-T332 PolarHBondContact O-N 3.26Å; S328-T332 VanDerWaalsContact O-N 3.13Å; S328-T332 PolarHBondContact O-OG1 3.29Å |
| 329 | R | 93.3 | Very high | 92.5 | Very high | 70 Ų | 70 | 54 Ų | 54 | 26% | 0.264 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63 | -49.9 | 175.4 | 178.2 | -179.9 | 172 | -141.4 | -13.6 | 111 | E325 Q326 A327 A331 T332 V333 | E325-R329 VanDerWaalsContact O-CB 3.24Å; E325-R329 WeakPolarHBondContact O-CB 3.45Å; E325-R329 PolarHBondContact O-N 3.17Å; Q326-R329 WeakPolarHBondContact O-CB 3.45Å; Q326-R329 PolarHBondContact O-N 3.15Å; A327-R329 VanDerWaalsContact C-N 3.32Å; A327-R329 PolarHBondContact O-N 3.5Å; R329-A331 VanDerWaalsContact C-N 3.32Å; R329-A331 PolarHBondContact O-N 3.32Å; R329-T332 PolarHBondContact O-N 3.02Å; R329-V333 HydrophobicContact CG-CG2 4.45Å; R329-V333 WeakPolarHBondContact O-CG2 3.45Å; R329-V333 PolarHBondContact O-N 2.98Å |
| 330 | Y | 93.4 | Very high | 92.7 | Very high | 3 Ų | 3 | 53.1 Ų | 53.1 | 1% | 0.012 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67.5 | -29.3 | 179.5 | -76 | -66.5 | 0 | 0 | 0 | 113.1 | D286 Q326 A327 S334 V371 A372 W375 | D286-Y330 PolarHBondContact OD2-OH 3.19Å; Q326-Y330 WeakPolarHBondContact O-CD2 3.24Å; Q326-Y330 PolarHBondContact O-N 3.39Å; A327-Y330 PolarHBondContact O-N 3.46Å; Y330-S334 WeakPolarHBondContact O-CB 3.5Å; Y330-S334 PolarHBondContact O-N 2.88Å; Y330-S334 PolarHBondContact O-OG 2.88Å; Y330-V371 HydrophobicContact CE1-CG1 4.08Å; Y330-A372 HydrophobicContact CD1-CB 4.04Å; Y330-W375 HydrophobicContact CD1-CB 4.18Å; Y330-W375 HydrophobicContact CD1-CG 4.48Å; Y330-W375 HydrophobicContact CD2-CB 4.12Å; Y330-W375 AromaticContact CD2-CD2 3.23Å; Y330-W375 HydrophobicContact CD2-CD2 3.23Å; Y330-W375 AromaticContact CD2-CE2 3.64Å; Y330-W375 AromaticContact CD2-CE3 3.4Å; Y330-W375 HydrophobicContact CD2-CE3 3.4Å; Y330-W375 VanDerWaalsContact CD2-CE3 3.4Å; Y330-W375 AromaticContact CD2-CG 3.55Å; Y330-W375 HydrophobicContact CD2-CG 3.55Å; Y330-W375 HydrophobicContact CD2-CH2 4.32Å; Y330-W375 HydrophobicContact CD2-CZ2 4.18Å; Y330-W375 AromaticContact CD2-CZ3 3.96Å; Y330-W375 HydrophobicContact CD2-CZ3 3.96Å; Y330-W375 HydrophobicContact CE1-CB 3.82Å; Y330-W375 HydrophobicContact CE1-CG 4.17Å; Y330-W375 HydrophobicContact CE2-CB 3.79Å; Y330-W375 AromaticContact CE2-CD1 3.29Å; Y330-W375 AromaticContact CE2-CD2 3.35Å; Y330-W375 HydrophobicContact CE2-CD2 3.35Å; Y330-W375 AromaticContact CE2-CE2 3.58Å; Y330-W375 HydrophobicContact CE2-CE3 4.04Å; Y330-W375 AromaticContact CE2-CG 3.19Å; Y330-W375 HydrophobicContact CE2-CG 3.19Å; Y330-W375 HydrophobicContact CE2-CZ2 4.42Å; Y330-W375 AromaticContact CE2-NE1 3.52Å; Y330-W375 HydrophobicContact CG-CB 4.32Å; Y330-W375 AromaticContact CG-CD2 3.98Å; Y330-W375 HydrophobicContact CG-CD2 3.98Å; Y330-W375 AromaticContact CG-CE3 3.82Å; Y330-W375 HydrophobicContact CG-CE3 3.82Å; Y330-W375 HydrophobicContact CG-CG 4.2Å; Y330-W375 HydrophobicContact CG-CZ3 4.47Å; Y330-W375 AromaticContact CZ-CD1 3.67Å; Y330-W375 AromaticContact CZ-CG 3.52Å |
| 331 | A | 92.5 | Very high | 93 | Very high | 8 Ų | 8 | 48.7 Ų | 48.7 | 7% | 0.066 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59 | -53 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | A327 S328 R329 V333 S334 E335 S403 | A327-A331 PolarHBondContact O-N 2.88Å; S328-A331 PolarHBondContact O-N 3.02Å; R329-A331 VanDerWaalsContact C-N 3.32Å; R329-A331 PolarHBondContact O-N 3.32Å; A331-V333 PolarHBondContact O-N 3.33Å; A331-S334 PolarHBondContact O-N 3.37Å; A331-E335 PolarHBondContact O-N 3.48Å; A331-S403 WeakPolarHBondContact CB-O 3.41Å |
| 332 | T | 93.6 | Very high | 93.1 | Very high | 95 Ų | 95 | 49.1 Ų | 49.1 | 58% | 0.583 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -62.6 | -43.6 | -177.8 | -51.9 | 0 | 0 | 0 | 0 | 112 | S328 R329 R336 | S328-T332 PolarHBondContact O-N 3.26Å; S328-T332 VanDerWaalsContact O-N 3.13Å; S328-T332 PolarHBondContact O-OG1 3.29Å; R329-T332 PolarHBondContact O-N 3.02Å; T332-R336 PolarHBondContact O-N 2.88Å; T332-R336 VanDerWaalsContact O-N 3.17Å |
| 333 | V | 93.1 | Very high | 93.1 | Very high | 21 Ų | 21 | 52.1 Ų | 52.1 | 13% | 0.127 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.8 | -46.7 | 176.7 | 172.5 | 0 | 0 | 0 | 0 | 110 | R329 A331 E335 R336 V337 D368 A372 | R329-V333 HydrophobicContact CG-CG2 4.45Å; R329-V333 WeakPolarHBondContact O-CG2 3.45Å; R329-V333 PolarHBondContact O-N 2.98Å; A331-V333 PolarHBondContact O-N 3.33Å; V333-E335 PolarHBondContact O-N 2.87Å; V333-R336 PolarHBondContact O-N 3.43Å; V333-V337 HydrophobicContact CG1-CG1 4.12Å; V333-V337 WeakPolarHBondContact O-CG1 3.41Å; V333-V337 VanDerWaalsContact O-CG2 3.3Å; V333-V337 WeakPolarHBondContact O-CG2 3.1Å; V333-V337 PolarHBondContact O-N 3.37Å; V333-D368 HydrophobicContact CG1-CB 4.2Å; V333-A372 HydrophobicContact CG1-CB 4.2Å |
| 334 | S | 92.1 | Very high | 93.1 | Very high | 17 Ų | 17 | 52.3 Ų | 52.3 | 12% | 0.119 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.2 | -45.4 | -179.2 | -62.3 | 0 | 0 | 0 | 0 | 112.4 | Y330 A331 R336 H338 L376 | Y330-S334 WeakPolarHBondContact O-CB 3.5Å; Y330-S334 PolarHBondContact O-N 2.88Å; Y330-S334 PolarHBondContact O-OG 2.88Å; A331-S334 PolarHBondContact O-N 3.37Å; S334-R336 PolarHBondContact O-N 2.92Å; S334-H338 WeakPolarHBondContact O-CB 3.4Å; S334-H338 PolarHBondContact O-N 3.36Å; S334-L376 VanDerWaalsContact OG-CD1 3.31Å; S334-L376 WeakPolarHBondContact OG-CD1 3.19Å |
| 335 | E | 92.3 | Very high | 93 | Very high | 106 Ų | 106 | 48.5 Ų | 48.5 | 50% | 0.495 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -59.7 | -45.9 | 176.1 | -73.3 | 178.1 | -170.8 | 0 | 0 | 111.4 | A331 V333 A339 R404 | A331-E335 PolarHBondContact O-N 3.48Å; V333-E335 PolarHBondContact O-N 2.87Å; E335-A339 PolarHBondContact O-N 2.98Å; E335-R404 IonicContact OE1-NH1 3.05Å; E335-R404 PolarHBondContact OE1-NH1 3.1Å; E335-R404 IonicContact OE2-NH1 2.81Å |
| 336 | R | 94.5 | Very high | 92.9 | Very high | 121 Ų | 121 | 49.2 Ų | 49.2 | 46% | 0.457 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.6 | -52.4 | 179 | -179.3 | -174.3 | 73.3 | -164.3 | 2.5 | 112.2 | T332 V333 S334 H338 A339 Q340 D368 | T332-R336 PolarHBondContact O-N 2.88Å; T332-R336 VanDerWaalsContact O-N 3.17Å; V333-R336 PolarHBondContact O-N 3.43Å; S334-R336 PolarHBondContact O-N 2.92Å; R336-H338 VanDerWaalsContact C-N 3.35Å; R336-A339 PolarHBondContact O-N 3.49Å; R336-Q340 WeakPolarHBondContact O-CG 3.48Å; R336-Q340 PolarHBondContact O-N 3.01Å; R336-D368 IonicContact CZ-OD2 2.8Å; R336-D368 IonicContact NH2-OD2 2.78Å; R336-D368 PolarHBondContact NH2-OD2 3.46Å |
| 337 | V | 93.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -71.5 | -33.4 | -174.5 | -59.5 | 0 | 0 | 0 | 0 | 111.6 | V333 A339 Q340 V341 D368 L413 | V333-V337 HydrophobicContact CG1-CG1 4.12Å; V333-V337 WeakPolarHBondContact O-CG1 3.41Å; V333-V337 VanDerWaalsContact O-CG2 3.3Å; V333-V337 WeakPolarHBondContact O-CG2 3.1Å; V333-V337 PolarHBondContact O-N 3.37Å; V337-A339 VanDerWaalsContact C-N 3.34Å; V337-A339 PolarHBondContact O-N 3.04Å; V337-Q340 PolarHBondContact O-N 3.33Å; V337-V341 VanDerWaalsContact O-CG2 3.32Å; V337-V341 WeakPolarHBondContact O-CG2 3.31Å; V337-V341 PolarHBondContact O-N 3.35Å; V337-D368 HydrophobicContact CG1-CB 3.57Å; V337-L413 HydrophobicContact CG2-CD1 3.98Å; V337-L413 HydrophobicContact CG2-CD2 4.28Å |
| 338 | H | 92.1 | Very high | 91.7 | Very high | 37 Ų | 37 | 60.2 Ų | 60.2 | 17% | 0.171 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.4 | -46.5 | 174.8 | -173.6 | 52.5 | 0 | 0 | 0 | 111.5 | S334 R336 Q340 Q342 L413 D416 | S334-H338 WeakPolarHBondContact O-CB 3.4Å; S334-H338 PolarHBondContact O-N 3.36Å; R336-H338 VanDerWaalsContact C-N 3.35Å; H338-Q340 PolarHBondContact O-N 3.42Å; H338-Q342 PolarHBondContact CE1-NE2 2.88Å; H338-Q342 VanDerWaalsContact CE1-NE2 3.28Å; H338-Q342 PolarHBondContact NE2-NE2 3.24Å; H338-Q342 VanDerWaalsContact NE2-NE2 3.18Å; H338-Q342 WeakPolarHBondContact O-CG 3.29Å; H338-Q342 PolarHBondContact O-N 3.27Å; H338-Q342 VanDerWaalsContact O-N 3.08Å; H338-L413 HydrophobicContact CB-CD1 4.1Å; H338-D416 IonicContact CE1-OD2 3.58Å |
| 339 | A | 93.3 | Very high | 91.3 | Very high | 60 Ų | 60 | 61.4 Ų | 61.4 | 50% | 0.496 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.1 | -40.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | E335 R336 V337 Q343 | E335-A339 PolarHBondContact O-N 2.98Å; R336-A339 PolarHBondContact O-N 3.49Å; V337-A339 VanDerWaalsContact C-N 3.34Å; V337-A339 PolarHBondContact O-N 3.04Å; A339-Q343 PolarHBondContact O-N 3.47Å; A339-Q343 VanDerWaalsContact O-N 3.08Å |
| 340 | Q | 93.6 | Very high | 91.1 | Very high | 60 Ų | 60 | 59.4 Ų | 59.4 | 28% | 0.28 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -65.2 | -47.2 | 178.2 | -72.7 | 178.1 | -11 | 0 | 0 | 112.3 | R336 V337 H338 Q342 Q343 F344 | R336-Q340 WeakPolarHBondContact O-CG 3.48Å; R336-Q340 PolarHBondContact O-N 3.01Å; V337-Q340 PolarHBondContact O-N 3.33Å; H338-Q340 PolarHBondContact O-N 3.42Å; Q340-Q342 VanDerWaalsContact C-N 3.34Å; Q340-Q342 PolarHBondContact O-N 3.32Å; Q340-Q343 WeakPolarHBondContact O-CB 3.5Å; Q340-Q343 PolarHBondContact O-N 3.31Å; Q340-Q343 VanDerWaalsContact O-N 3.14Å; Q340-F344 HydrophobicContact CB-CE2 4.46Å; Q340-F344 WeakPolarHBondContact O-CD2 3.45Å; Q340-F344 WeakPolarHBondContact O-CG 3.45Å; Q340-F344 PolarHBondContact O-N 3.18Å |
| 341 | V | 93.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.1 | -42.7 | 179.3 | 175.2 | 0 | 0 | 0 | 0 | 110.3 | V337 Q343 F344 L345 C369 D416 F420 | V337-V341 VanDerWaalsContact O-CG2 3.32Å; V337-V341 WeakPolarHBondContact O-CG2 3.31Å; V337-V341 PolarHBondContact O-N 3.35Å; V341-Q343 VanDerWaalsContact C-N 3.27Å; V341-Q343 PolarHBondContact O-N 3.1Å; V341-F344 PolarHBondContact O-N 3.47Å; V341-F344 VanDerWaalsContact O-N 3.14Å; V341-L345 HydrophobicContact CG1-CD1 3.85Å; V341-L345 HydrophobicContact CG1-CG 4.23Å; V341-L345 WeakPolarHBondContact O-CB 3.46Å; V341-L345 WeakPolarHBondContact O-CG 3.26Å; V341-L345 PolarHBondContact O-N 3.48Å; V341-C369 VanDerWaalsContact CG2-SG 3.52Å; V341-D416 HydrophobicContact CG1-CB 3.82Å; V341-F420 HydrophobicContact CG1-CB 3.88Å; V341-F420 HydrophobicContact CG1-CD1 4.39Å; V341-F420 HydrophobicContact CG1-CG 4.34Å; V341-F420 HydrophobicContact CG2-CD1 4.2Å |
| 342 | Q | 92 | Very high | 90.4 | Very high | 89 Ų | 89 | 70.3 Ų | 70.3 | 42% | 0.416 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.6 | -36.7 | 174.7 | -76.7 | -171.3 | -14.7 | 0 | 0 | 112.8 | H338 Q340 K346 | H338-Q342 PolarHBondContact CE1-NE2 2.88Å; H338-Q342 VanDerWaalsContact CE1-NE2 3.28Å; H338-Q342 PolarHBondContact NE2-NE2 3.24Å; H338-Q342 VanDerWaalsContact NE2-NE2 3.18Å; H338-Q342 WeakPolarHBondContact O-CG 3.29Å; H338-Q342 PolarHBondContact O-N 3.27Å; H338-Q342 VanDerWaalsContact O-N 3.08Å; Q340-Q342 VanDerWaalsContact C-N 3.34Å; Q340-Q342 PolarHBondContact O-N 3.32Å; Q342-K346 WeakPolarHBondContact O-CG 3.32Å; Q342-K346 PolarHBondContact O-N 2.88Å |
| 343 | Q | 92.1 | Very high | 89.8 | Confident | 91 Ų | 91 | 70.2 Ų | 70.2 | 43% | 0.425 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65.2 | -43.4 | 174 | -177.3 | 178.2 | 6.6 | 0 | 0 | 111.8 | A339 Q340 V341 L345 K346 | A339-Q343 PolarHBondContact O-N 3.47Å; A339-Q343 VanDerWaalsContact O-N 3.08Å; Q340-Q343 WeakPolarHBondContact O-CB 3.5Å; Q340-Q343 PolarHBondContact O-N 3.31Å; Q340-Q343 VanDerWaalsContact O-N 3.14Å; V341-Q343 VanDerWaalsContact C-N 3.27Å; V341-Q343 PolarHBondContact O-N 3.1Å; Q343-L345 VanDerWaalsContact C-N 3.32Å; Q343-L345 PolarHBondContact O-N 2.89Å; Q343-K346 WeakPolarHBondContact O-CB 3.24Å; Q343-K346 PolarHBondContact O-N 3.39Å |
| 344 | F | 92.3 | Very high | 89.5 | Confident | 3 Ų | 3 | 70.8 Ų | 70.8 | 1% | 0.013 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -66.3 | -34.3 | 178.2 | -63.5 | -26.8 | 0 | 0 | 0 | 112.8 | Q340 V341 K346 Y349 L350 M354 L362 C365 F420 | Q340-F344 HydrophobicContact CB-CE2 4.46Å; Q340-F344 WeakPolarHBondContact O-CD2 3.45Å; Q340-F344 WeakPolarHBondContact O-CG 3.45Å; Q340-F344 PolarHBondContact O-N 3.18Å; V341-F344 PolarHBondContact O-N 3.47Å; V341-F344 VanDerWaalsContact O-N 3.14Å; F344-K346 PolarHBondContact O-N 2.85Å; F344-Y349 AromaticContact CD1-CD1 3.92Å; F344-Y349 HydrophobicContact CD1-CD1 3.92Å; F344-Y349 AromaticContact CD1-CE1 3.35Å; F344-Y349 HydrophobicContact CD1-CE1 3.35Å; F344-Y349 AromaticContact CE1-CE1 3.8Å; F344-Y349 HydrophobicContact CE1-CE1 3.8Å; F344-Y349 HydrophobicContact CG-CE1 4.46Å; F344-L350 WeakPolarHBondContact O-CD1 3.31Å; F344-L350 WeakPolarHBondContact O-CG 3.32Å; F344-M354 HydrophobicContact CE1-CE 4.33Å; F344-L362 HydrophobicContact CD2-CD2 4.09Å; F344-L362 HydrophobicContact CE1-CD2 4.35Å; F344-L362 HydrophobicContact CE2-CD2 3.9Å; F344-L362 HydrophobicContact CG-CD2 4.4Å; F344-L362 HydrophobicContact CZ-CD2 4.03Å; F344-C365 HydrophobicContact CE2-CB 4.09Å; F344-F420 HydrophobicContact CB-CD2 4.28Å; F344-F420 HydrophobicContact CB-CE2 4.1Å; F344-F420 HydrophobicContact CD2-CE1 4.09Å; F344-F420 HydrophobicContact CD2-CE2 4.05Å; F344-F420 AromaticContact CD2-CZ 3.71Å; F344-F420 HydrophobicContact CD2-CZ 3.71Å; F344-F420 HydrophobicContact CE2-CZ 4.31Å; F344-F420 HydrophobicContact CG-CE2 4.4Å; F344-F420 HydrophobicContact CG-CZ 4.48Å |
| 345 | L | 90.5 | Very high | 89.3 | Confident | 44 Ų | 44 | 70 Ų | 70 | 23% | 0.23 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -2.1 | 177.4 | -70 | 177.8 | 0 | 0 | 0 | 114.2 | V341 Q343 E347 D416 Q419 F420 I423 | V341-L345 HydrophobicContact CG1-CD1 3.85Å; V341-L345 HydrophobicContact CG1-CG 4.23Å; V341-L345 WeakPolarHBondContact O-CB 3.46Å; V341-L345 WeakPolarHBondContact O-CG 3.26Å; V341-L345 PolarHBondContact O-N 3.48Å; Q343-L345 VanDerWaalsContact C-N 3.32Å; Q343-L345 PolarHBondContact O-N 2.89Å; L345-E347 PolarHBondContact O-N 3.4Å; L345-D416 HydrophobicContact CD1-CB 3.81Å; L345-D416 WeakPolarHBondContact CD1-O 3.47Å; L345-Q419 HydrophobicContact CD1-CB 4.35Å; L345-Q419 HydrophobicContact CD1-CG 4.47Å; L345-Q419 HydrophobicContact CD2-CB 4.34Å; L345-Q419 HydrophobicContact CD2-CG 3.9Å; L345-F420 HydrophobicContact CD2-CB 4.01Å; L345-F420 HydrophobicContact CG-CB 4.32Å; L345-I423 HydrophobicContact CD2-CD1 3.83Å |
| 346 | K | 91.3 | Very high | 88.9 | Confident | 140 Ų | 140 | 66 Ų | 66 | 61% | 0.609 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -63.2 | 136.1 | 172.3 | -71.4 | -177.2 | -179.8 | -179.5 | 0 | 110 | Q342 Q343 F344 G348 Y349 | Q342-K346 WeakPolarHBondContact O-CG 3.32Å; Q342-K346 PolarHBondContact O-N 2.88Å; Q343-K346 WeakPolarHBondContact O-CB 3.24Å; Q343-K346 PolarHBondContact O-N 3.39Å; F344-K346 PolarHBondContact O-N 2.85Å; K346-G348 PolarHBondContact O-N 3.04Å; K346-Y349 VanDerWaalsContact O-CB 3.29Å; K346-Y349 WeakPolarHBondContact O-CB 3.38Å; K346-Y349 PolarHBondContact O-N 3.32Å; K346-Y349 VanDerWaalsContact O-N 3.11Å |
| 347 | E | 81 | Confident | 88.4 | Confident | 203 Ų | 203 | 64.4 Ų | 64.4 | 95% | 0.949 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | 131.9 | -178.1 | -168.8 | 174.5 | -177.7 | 0 | 0 | 111.3 | L345 Y349 | L345-E347 PolarHBondContact O-N 3.4Å; E347-Y349 VanDerWaalsContact C-N 3.29Å; E347-Y349 PolarHBondContact O-N 3.25Å |
| 348 | G | 79.9 | Confident | 88.2 | Confident | 45 Ų | 45 | 66.9 Ų | 66.9 | 46% | 0.464 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.6 | 1.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | K346 R351 | K346-G348 PolarHBondContact O-N 3.04Å; G348-R351 PolarHBondContact O-NE 3.2Å |
| 349 | Y | 87.3 | Confident | 88.1 | Confident | 76 Ų | 76 | 66.7 Ų | 66.7 | 30% | 0.298 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -52.8 | 177 | -169.1 | -88.7 | 0 | 0 | 0 | 112.6 | F344 K346 E347 R351 M354 | F344-Y349 AromaticContact CD1-CD1 3.92Å; F344-Y349 HydrophobicContact CD1-CD1 3.92Å; F344-Y349 AromaticContact CD1-CE1 3.35Å; F344-Y349 HydrophobicContact CD1-CE1 3.35Å; F344-Y349 AromaticContact CE1-CE1 3.8Å; F344-Y349 HydrophobicContact CE1-CE1 3.8Å; F344-Y349 HydrophobicContact CG-CE1 4.46Å; K346-Y349 VanDerWaalsContact O-CB 3.29Å; K346-Y349 WeakPolarHBondContact O-CB 3.38Å; K346-Y349 PolarHBondContact O-N 3.32Å; K346-Y349 VanDerWaalsContact O-N 3.11Å; E347-Y349 VanDerWaalsContact C-N 3.29Å; E347-Y349 PolarHBondContact O-N 3.25Å; Y349-R351 PolarHBondContact O-N 3.03Å; Y349-M354 HydrophobicContact CD1-CE 4.33Å; Y349-M354 HydrophobicContact CD1-SD 4.43Å; Y349-M354 HydrophobicContact CE1-CE 3.44Å; Y349-M354 VanDerWaalsContact CE1-CE 3.44Å; Y349-M354 HydrophobicContact CE1-SD 4.07Å |
| 350 | L | 87.8 | Confident | 87.9 | Confident | 28 Ų | 28 | 68.1 Ų | 68.1 | 15% | 0.147 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -74.4 | 93.1 | 176.4 | -69.9 | 168.5 | 0 | 0 | 0 | 110.2 | F344 M354 V355 L362 F420 I423 M427 | F344-L350 WeakPolarHBondContact O-CD1 3.31Å; F344-L350 WeakPolarHBondContact O-CG 3.32Å; L350-M354 HydrophobicContact CD2-SD 4.16Å; L350-V355 HydrophobicContact CD2-CG2 4.08Å; L350-L362 HydrophobicContact CD2-CD2 4.34Å; L350-F420 HydrophobicContact CD1-CD2 3.93Å; L350-F420 HydrophobicContact CD1-CE2 4.06Å; L350-F420 HydrophobicContact CD2-CE2 4.13Å; L350-I423 HydrophobicContact CD1-CG2 4.03Å; L350-M427 HydrophobicContact CB-SD 4.23Å |
| 351 | R | 87.6 | Confident | 87.8 | Confident | 173 Ų | 173 | 70.3 Ų | 70.3 | 65% | 0.653 | 34% | 0.342 | S | S | * | . | trans | -110.7 | 156 | 171.6 | -58.4 | -177.7 | -170.1 | -173.9 | -1.8 | 109.8 | G348 Y349 E353 M354 V355 | G348-R351 PolarHBondContact O-NE 3.2Å; Y349-R351 PolarHBondContact O-N 3.03Å; R351-E353 VanDerWaalsContact C-N 3.3Å; R351-E353 PolarHBondContact O-N 3.19Å; R351-M354 PolarHBondContact O-N 3.23Å; R351-V355 WeakPolarHBondContact O-CG2 3.45Å; R351-V355 PolarHBondContact O-N 3.48Å | ||
| 352 | E | 83.9 | Confident | 87.8 | Confident | 68 Ų | 68 | 70.3 Ų | 70.3 | 32% | 0.318 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -48.8 | -49.9 | -178 | -163.1 | 173.8 | 165.1 | 0 | 0 | 112.1 | M354 V355 L356 M431 K438 | E352-M354 PolarHBondContact O-N 3.08Å; E352-V355 PolarHBondContact O-N 2.98Å; E352-L356 HydrophobicContact CG-CD1 4.39Å; E352-L356 WeakPolarHBondContact O-CG 3.49Å; E352-L356 PolarHBondContact O-N 3.5Å; E352-L356 VanDerWaalsContact O-N 3.08Å; E352-M431 HydrophobicContact CG-CG 3.88Å; E352-M431 HydrophobicContact CG-SD 3.48Å; E352-M431 WeakPolarHBondContact CG-SD 3.21Å; E352-K438 VanDerWaalsContact CD-NZ 3.27Å; E352-K438 IonicContact OE1-NZ 3.68Å; E352-K438 PolarHBondContact OE1-NZ 3.1Å; E352-K438 IonicContact OE2-NZ 2.68Å; E352-K438 PolarHBondContact OE2-NZ 3.43Å |
| 353 | E | 82.4 | Confident | 87.8 | Confident | 93 Ų | 93 | 66.9 Ų | 66.9 | 44% | 0.435 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.1 | -43.9 | 179.4 | -58.4 | -176.3 | 157.3 | 0 | 0 | 113 | R351 V355 L356 D357 Q533 | R351-E353 VanDerWaalsContact C-N 3.3Å; R351-E353 PolarHBondContact O-N 3.19Å; E353-V355 VanDerWaalsContact C-N 3.31Å; E353-V355 PolarHBondContact O-N 2.94Å; E353-L356 PolarHBondContact O-N 3.31Å; E353-D357 WeakPolarHBondContact O-CB 3.42Å; E353-D357 VanDerWaalsContact O-CG 3.3Å; E353-D357 PolarHBondContact O-N 3.41Å; E353-Q533 PolarHBondContact OE1-NE2 2.97Å |
| 354 | M | 86.9 | Confident | 87.9 | Confident | 32 Ų | 32 | 65.6 Ų | 65.6 | 16% | 0.158 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.3 | -40.6 | 179.7 | 179.7 | -84.4 | 166.4 | 0 | 0 | 111.2 | F344 Y349 L350 R351 E352 N358 L362 | F344-M354 HydrophobicContact CE1-CE 4.33Å; Y349-M354 HydrophobicContact CD1-CE 4.33Å; Y349-M354 HydrophobicContact CD1-SD 4.43Å; Y349-M354 HydrophobicContact CE1-CE 3.44Å; Y349-M354 VanDerWaalsContact CE1-CE 3.44Å; Y349-M354 HydrophobicContact CE1-SD 4.07Å; L350-M354 HydrophobicContact CD2-SD 4.16Å; R351-M354 PolarHBondContact O-N 3.23Å; E352-M354 PolarHBondContact O-N 3.08Å; M354-N358 HydrophobicContact CE-CB 4.04Å; M354-N358 WeakPolarHBondContact O-CB 3.21Å; M354-N358 PolarHBondContact O-N 3.11Å; M354-N358 VanDerWaalsContact O-N 3.15Å; M354-N358 PolarHBondContact O-ND2 3.03Å; M354-L362 HydrophobicContact CE-CD2 4.17Å |
| 355 | V | 86.2 | Confident | 88 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.1 | -47.9 | 178.8 | 170.2 | 0 | 0 | 0 | 0 | 110.8 | L350 R351 E352 E353 D357 N358 I359 L362 L424 M427 F428 M431 | L350-V355 HydrophobicContact CD2-CG2 4.08Å; R351-V355 WeakPolarHBondContact O-CG2 3.45Å; R351-V355 PolarHBondContact O-N 3.48Å; E352-V355 PolarHBondContact O-N 2.98Å; E353-V355 VanDerWaalsContact C-N 3.31Å; E353-V355 PolarHBondContact O-N 2.94Å; V355-D357 VanDerWaalsContact C-N 3.34Å; V355-D357 PolarHBondContact O-N 3.07Å; V355-N358 PolarHBondContact O-N 2.9Å; V355-I359 WeakPolarHBondContact O-CG1 3.39Å; V355-I359 PolarHBondContact O-N 2.97Å; V355-I359 VanDerWaalsContact O-N 3.16Å; V355-L362 HydrophobicContact CB-CD1 4.25Å; V355-L362 HydrophobicContact CG1-CD1 4.12Å; V355-L362 HydrophobicContact CG2-CD1 4.12Å; V355-L424 HydrophobicContact CB-CD1 4.42Å; V355-L424 HydrophobicContact CG1-CD1 3.62Å; V355-L424 HydrophobicContact CG2-CD1 3.88Å; V355-M427 HydrophobicContact CB-CE 4.43Å; V355-M427 HydrophobicContact CG2-CE 3.68Å; V355-M427 HydrophobicContact CG2-SD 4.16Å; V355-F428 HydrophobicContact CG1-CD2 4.17Å; V355-F428 HydrophobicContact CG1-CE2 3.35Å; V355-F428 HydrophobicContact CG1-CZ 3.68Å; V355-M431 HydrophobicContact CG1-CE 4.05Å |
| 356 | L | 84 | Confident | 88.2 | Confident | 22 Ų | 22 | 63.6 Ų | 63.6 | 12% | 0.115 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65.2 | -36.2 | -179.3 | -66.2 | 176.6 | 0 | 0 | 0 | 112.7 | E352 E353 N358 I359 M431 R536 I540 | E352-L356 HydrophobicContact CG-CD1 4.39Å; E352-L356 WeakPolarHBondContact O-CG 3.49Å; E352-L356 PolarHBondContact O-N 3.5Å; E352-L356 VanDerWaalsContact O-N 3.08Å; E353-L356 PolarHBondContact O-N 3.31Å; L356-N358 VanDerWaalsContact C-N 3.33Å; L356-I359 HydrophobicContact CD2-CD1 4.48Å; L356-M431 HydrophobicContact CD1-SD 4.1Å; L356-M431 HydrophobicContact CD2-CE 4.15Å; L356-M431 HydrophobicContact CD2-SD 3.74Å; L356-M431 HydrophobicContact CG-SD 3.91Å; L356-R536 HydrophobicContact CD1-CB 4.03Å; L356-I540 HydrophobicContact CD2-CD1 4.2Å; L356-I540 HydrophobicContact CD2-CG1 3.61Å |
| 357 | D | 84.7 | Confident | 88.4 | Confident | 88 Ų | 88 | 58 Ų | 58 | 47% | 0.471 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -77.2 | -18.4 | 178.9 | -67.9 | -14.6 | 0 | 0 | 0 | 112.8 | E353 V355 R536 | E353-D357 WeakPolarHBondContact O-CB 3.42Å; E353-D357 VanDerWaalsContact O-CG 3.3Å; E353-D357 PolarHBondContact O-N 3.41Å; V355-D357 VanDerWaalsContact C-N 3.34Å; V355-D357 PolarHBondContact O-N 3.07Å; D357-R536 IonicContact OD1-CZ 3.37Å; D357-R536 IonicContact OD1-NE 2.73Å; D357-R536 PolarHBondContact OD1-NE 2.98Å; D357-R536 IonicContact OD1-NH2 3.59Å; D357-R536 PolarHBondContact OD1-NH2 3.39Å; D357-R536 IonicContact OD2-CZ 3.24Å; D357-R536 IonicContact OD2-NE 2.73Å; D357-R536 IonicContact OD2-NH2 3.35Å; D357-R536 PolarHBondContact OD2-NH2 2.94Å |
| 358 | N | 89.3 | Confident | 89.1 | Confident | 53 Ų | 53 | 49.1 Ų | 49.1 | 28% | 0.283 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -124.8 | 22.4 | -172 | -64.9 | -87 | 0 | 0 | 0 | 114.7 | M354 V355 L356 P360 K361 L362 | M354-N358 HydrophobicContact CE-CB 4.04Å; M354-N358 WeakPolarHBondContact O-CB 3.21Å; M354-N358 PolarHBondContact O-N 3.11Å; M354-N358 VanDerWaalsContact O-N 3.15Å; M354-N358 PolarHBondContact O-ND2 3.03Å; V355-N358 PolarHBondContact O-N 2.9Å; L356-N358 VanDerWaalsContact C-N 3.33Å; N358-P360 VanDerWaalsContact C-CD 3.49Å; N358-K361 HydrophobicContact CB-CB 4.41Å; N358-K361 WeakPolarHBondContact O-CB 3.49Å; N358-K361 PolarHBondContact O-N 3.34Å; N358-L362 HydrophobicContact CB-CG 4.5Å; N358-L362 WeakPolarHBondContact O-CG 3.4Å; N358-L362 PolarHBondContact O-N 3.07Å |
| 359 | I | 89.3 | Confident | 89.9 | Confident | 32 Ų | 32 | 47 Ų | 47 | 16% | 0.164 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -48.1 | -49.8 | -178 | -54.2 | -178.4 | 0 | 0 | 0 | 113 | V355 L356 K361 L362 L363 F428 V544 | V355-I359 WeakPolarHBondContact O-CG1 3.39Å; V355-I359 PolarHBondContact O-N 2.97Å; V355-I359 VanDerWaalsContact O-N 3.16Å; L356-I359 HydrophobicContact CD2-CD1 4.48Å; I359-K361 VanDerWaalsContact C-N 3.31Å; I359-K361 PolarHBondContact O-N 3.44Å; I359-L362 PolarHBondContact O-N 3.23Å; I359-L363 HydrophobicContact CG2-CD1 3.81Å; I359-L363 HydrophobicContact CG2-CG 4.19Å; I359-L363 WeakPolarHBondContact O-CB 3.49Å; I359-L363 WeakPolarHBondContact O-CG 3.36Å; I359-L363 PolarHBondContact O-N 3.42Å; I359-F428 HydrophobicContact CD1-CE1 4.13Å; I359-F428 HydrophobicContact CD1-CZ 3.9Å; I359-F428 HydrophobicContact CG1-CZ 3.98Å; I359-F428 HydrophobicContact CG2-CZ 4.43Å; I359-V544 HydrophobicContact CG2-CG1 4.2Å; I359-V544 HydrophobicContact CG2-CG2 4.13Å |
| 360 | P | 90.4 | Very high | 90.3 | Very high | 90 Ų | 90 | 43.8 Ų | 43.8 | 58% | 0.584 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -62.6 | -38.2 | -178.1 | -22.1 | 34.7 | 0 | 0 | 0 | 112.8 | N358 N364 | N358-P360 VanDerWaalsContact C-CD 3.49Å; P360-N364 WeakPolarHBondContact O-CB 3.18Å; P360-N364 PolarHBondContact O-N 3.46Å; P360-N364 PolarHBondContact O-ND2 3Å |
| 361 | K | 92.2 | Very high | 90.6 | Very high | 106 Ų | 106 | 42.6 Ų | 42.6 | 46% | 0.461 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -66.5 | -44.2 | 179.3 | -175.8 | -177.9 | 179.3 | -177.2 | 0 | 111.4 | N358 I359 C365 | N358-K361 HydrophobicContact CB-CB 4.41Å; N358-K361 WeakPolarHBondContact O-CB 3.49Å; N358-K361 PolarHBondContact O-N 3.34Å; I359-K361 VanDerWaalsContact C-N 3.31Å; I359-K361 PolarHBondContact O-N 3.44Å; K361-C365 PolarHBondContact O-N 3.15Å; K361-C365 VanDerWaalsContact O-N 3.1Å |
| 362 | L | 93.3 | Very high | 91 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66.2 | -44.1 | 178.9 | -62.7 | 173 | 0 | 0 | 0 | 111.2 | F344 L350 M354 V355 N358 I359 C365 L366 F420 L424 | F344-L362 HydrophobicContact CD2-CD2 4.09Å; F344-L362 HydrophobicContact CE1-CD2 4.35Å; F344-L362 HydrophobicContact CE2-CD2 3.9Å; F344-L362 HydrophobicContact CG-CD2 4.4Å; F344-L362 HydrophobicContact CZ-CD2 4.03Å; L350-L362 HydrophobicContact CD2-CD2 4.34Å; M354-L362 HydrophobicContact CE-CD2 4.17Å; V355-L362 HydrophobicContact CB-CD1 4.25Å; V355-L362 HydrophobicContact CG1-CD1 4.12Å; V355-L362 HydrophobicContact CG2-CD1 4.12Å; N358-L362 HydrophobicContact CB-CG 4.5Å; N358-L362 WeakPolarHBondContact O-CG 3.4Å; N358-L362 PolarHBondContact O-N 3.07Å; I359-L362 PolarHBondContact O-N 3.23Å; L362-C365 PolarHBondContact O-N 2.89Å; L362-L366 PolarHBondContact O-N 3.15Å; L362-F420 HydrophobicContact CB-CZ 4.26Å; L362-F420 HydrophobicContact CD2-CE2 4.11Å; L362-F420 HydrophobicContact CD2-CZ 3.75Å; L362-L424 HydrophobicContact CB-CD2 4.1Å; L362-L424 HydrophobicContact CD1-CD1 4.02Å |
| 363 | L | 92.4 | Very high | 91.5 | Very high | 17 Ų | 17 | 31.1 Ų | 31.1 | 9% | 0.089 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.4 | -40.9 | 177 | -72.2 | 179.1 | 0 | 0 | 0 | 112.5 | I359 C365 L366 R367 V544 T547 M548 | I359-L363 HydrophobicContact CG2-CD1 3.81Å; I359-L363 HydrophobicContact CG2-CG 4.19Å; I359-L363 WeakPolarHBondContact O-CB 3.49Å; I359-L363 WeakPolarHBondContact O-CG 3.36Å; I359-L363 PolarHBondContact O-N 3.42Å; L363-C365 VanDerWaalsContact C-N 3.34Å; L363-L366 PolarHBondContact O-N 2.66Å; L363-R367 WeakPolarHBondContact O-CG 3.46Å; L363-R367 PolarHBondContact O-N 3.04Å; L363-V544 HydrophobicContact CD1-CG1 4.36Å; L363-V544 HydrophobicContact CD2-CG1 4.33Å; L363-T547 HydrophobicContact CD2-CG2 4.42Å; L363-M548 HydrophobicContact CD2-CE 3.6Å; L363-M548 HydrophobicContact CD2-CG 3.73Å |
| 364 | N | 93.8 | Very high | 92.1 | Very high | 63 Ų | 63 | 27.5 Ų | 27.5 | 34% | 0.337 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -63.7 | -41 | 176.2 | -73.6 | -14.3 | 0 | 0 | 0 | 111.9 | P360 L366 R367 D368 | P360-N364 WeakPolarHBondContact O-CB 3.18Å; P360-N364 PolarHBondContact O-N 3.46Å; P360-N364 PolarHBondContact O-ND2 3Å; N364-L366 PolarHBondContact O-N 3.29Å; N364-R367 PolarHBondContact O-N 3.23Å; N364-R367 PolarHBondContact OD1-NH1 3.01Å; N364-D368 PolarHBondContact O-N 3.34Å |
| 365 | C | 94.8 | Very high | 92.5 | Very high | 2 Ų | 2 | 26.2 Ų | 26.2 | 1% | 0.014 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.4 | -45.3 | 173.9 | -169.9 | 0 | 0 | 0 | 0 | 111.5 | F344 K361 L362 L363 R367 D368 C369 | F344-C365 HydrophobicContact CE2-CB 4.09Å; K361-C365 PolarHBondContact O-N 3.15Å; K361-C365 VanDerWaalsContact O-N 3.1Å; L362-C365 PolarHBondContact O-N 2.89Å; L363-C365 VanDerWaalsContact C-N 3.34Å; C365-R367 PolarHBondContact O-N 3.22Å; C365-D368 PolarHBondContact O-N 3.45Å; C365-C369 WeakPolarHBondContact O-CB 3.32Å; C365-C369 PolarHBondContact O-N 3.31Å; C365-C369 PolarHBondContact O-SG 3.4Å |
| 366 | L | 94.6 | Very high | 92.9 | Very high | 3 Ų | 3 | 26.7 Ų | 26.7 | 2% | 0.016 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.1 | -40.3 | 176.1 | -78 | 176.9 | 0 | 0 | 0 | 113.1 | L362 L363 N364 N370 F420 E421 L424 M548 | L362-L366 PolarHBondContact O-N 3.15Å; L363-L366 PolarHBondContact O-N 2.66Å; N364-L366 PolarHBondContact O-N 3.29Å; L366-N370 PolarHBondContact O-N 3.38Å; L366-N370 PolarHBondContact O-ND2 3.29Å; L366-F420 HydrophobicContact CD2-CD1 3.48Å; L366-F420 VanDerWaalsContact CD2-CD1 3.48Å; L366-F420 HydrophobicContact CD2-CE1 3.65Å; L366-F420 HydrophobicContact CD2-CG 4.41Å; L366-F420 HydrophobicContact CG-CD1 4.07Å; L366-F420 HydrophobicContact CG-CE1 3.68Å; L366-F420 HydrophobicContact CG-CZ 4.47Å; L366-E421 HydrophobicContact CD2-CB 4.02Å; L366-E421 HydrophobicContact CD2-CG 4.46Å; L366-L424 HydrophobicContact CD1-CD2 3.84Å; L366-M548 HydrophobicContact CD1-CE 4.47Å; L366-M548 HydrophobicContact CD1-CG 4.16Å |
| 367 | R | 95.4 | Very high | 93.4 | Very high | 22 Ų | 22 | 26 Ų | 26 | 8% | 0.083 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61 | -54.5 | 175.4 | -72 | 170.5 | -174.5 | 119.7 | 0.4 | 111 | A240 L363 N364 C365 C369 N370 V371 V551 | A240-R367 PolarHBondContact O-NE 3.08Å; A240-R367 PolarHBondContact O-NH2 2.97Å; L363-R367 WeakPolarHBondContact O-CG 3.46Å; L363-R367 PolarHBondContact O-N 3.04Å; N364-R367 PolarHBondContact O-N 3.23Å; N364-R367 PolarHBondContact OD1-NH1 3.01Å; C365-R367 PolarHBondContact O-N 3.22Å; R367-C369 VanDerWaalsContact C-N 3.26Å; R367-C369 PolarHBondContact O-N 2.77Å; R367-N370 PolarHBondContact O-N 3.49Å; R367-V371 WeakPolarHBondContact O-CB 3.42Å; R367-V371 WeakPolarHBondContact O-CG2 3.28Å; R367-V371 PolarHBondContact O-N 2.98Å; R367-V551 HydrophobicContact CB-CG1 4.24Å; R367-V551 HydrophobicContact CG-CB 4.49Å; R367-V551 HydrophobicContact CG-CG1 3.8Å; R367-V551 HydrophobicContact CG-CG2 3.83Å |
| 368 | D | 95.4 | Very high | 93.9 | Very high | 18 Ų | 18 | 21.8 Ų | 21.8 | 10% | 0.096 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -58.2 | -40.6 | -179.5 | -69.2 | -8.8 | 0 | 0 | 0 | 111.4 | H246 V333 R336 V337 N364 C365 A372 | H246-D368 IonicContact CE1-OD1 3.55Å; H246-D368 PolarHBondContact CE1-OD1 3.1Å; H246-D368 IonicContact NE2-OD1 3.67Å; H246-D368 PolarHBondContact NE2-OD1 3.31Å; V333-D368 HydrophobicContact CG1-CB 4.2Å; R336-D368 IonicContact CZ-OD2 2.8Å; R336-D368 IonicContact NH2-OD2 2.78Å; R336-D368 PolarHBondContact NH2-OD2 3.46Å; V337-D368 HydrophobicContact CG1-CB 3.57Å; N364-D368 PolarHBondContact O-N 3.34Å; C365-D368 PolarHBondContact O-N 3.45Å; D368-A372 WeakPolarHBondContact O-CB 3.3Å; D368-A372 PolarHBondContact O-N 3.31Å |
| 369 | C | 95.8 | Very high | 94 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -60.6 | -54.6 | 176.4 | -67.8 | 0 | 0 | 0 | 0 | 111.8 | V341 C365 R367 V371 A372 I373 T417 | V341-C369 VanDerWaalsContact CG2-SG 3.52Å; C365-C369 WeakPolarHBondContact O-CB 3.32Å; C365-C369 PolarHBondContact O-N 3.31Å; C365-C369 PolarHBondContact O-SG 3.4Å; R367-C369 VanDerWaalsContact C-N 3.26Å; R367-C369 PolarHBondContact O-N 2.77Å; C369-V371 PolarHBondContact O-N 2.97Å; C369-A372 PolarHBondContact O-N 3.33Å; C369-I373 WeakPolarHBondContact O-CB 3.35Å; C369-I373 WeakPolarHBondContact O-CD1 3.27Å; C369-I373 WeakPolarHBondContact O-CG1 3.39Å; C369-I373 PolarHBondContact O-N 2.78Å; C369-T417 HydrophobicContact CB-CG2 3.58Å |
| 370 | N | 95.6 | Very high | 94.2 | Very high | 9 Ų | 9 | 18.1 Ų | 18.1 | 5% | 0.048 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -67.7 | -36.7 | -175.6 | -76.6 | -70.5 | 0 | 0 | 0 | 112.4 | L366 R367 R374 V551 K588 | L366-N370 PolarHBondContact O-N 3.38Å; L366-N370 PolarHBondContact O-ND2 3.29Å; R367-N370 PolarHBondContact O-N 3.49Å; N370-R374 VanDerWaalsContact O-CB 3.29Å; N370-R374 WeakPolarHBondContact O-CB 3.22Å; N370-R374 PolarHBondContact O-N 2.94Å; N370-V551 HydrophobicContact CB-CG1 4.12Å; N370-V551 WeakPolarHBondContact CB-O 3.46Å; N370-V551 PolarHBondContact ND2-O 2.88Å; N370-K588 VanDerWaalsContact OD1-CE 3.27Å; N370-K588 WeakPolarHBondContact OD1-CE 3.48Å; N370-K588 PolarHBondContact OD1-NZ 3.28Å |
| 371 | V | 95.4 | Very high | 94.1 | Very high | 2 Ų | 2 | 14.3 Ų | 14.3 | 1% | 0.012 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -64.1 | -46.8 | 174.8 | 175.3 | 0 | 0 | 0 | 0 | 110.5 | Y241 H246 T249 Y330 R367 C369 R374 W375 | Y241-V371 HydrophobicContact CD1-CG2 4.35Å; Y241-V371 HydrophobicContact CE1-CG2 3.88Å; H246-V371 HydrophobicContact CB-CG2 4.36Å; T249-V371 HydrophobicContact CG2-CG2 3.99Å; Y330-V371 HydrophobicContact CE1-CG1 4.08Å; R367-V371 WeakPolarHBondContact O-CB 3.42Å; R367-V371 WeakPolarHBondContact O-CG2 3.28Å; R367-V371 PolarHBondContact O-N 2.98Å; C369-V371 PolarHBondContact O-N 2.97Å; V371-R374 PolarHBondContact O-N 3.35Å; V371-W375 PolarHBondContact O-N 2.95Å |
| 372 | A | 95.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -64.4 | -44.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y330 V333 D368 C369 R374 W375 L376 | Y330-A372 HydrophobicContact CD1-CB 4.04Å; V333-A372 HydrophobicContact CG1-CB 4.2Å; D368-A372 WeakPolarHBondContact O-CB 3.3Å; D368-A372 PolarHBondContact O-N 3.31Å; C369-A372 PolarHBondContact O-N 3.33Å; A372-R374 VanDerWaalsContact C-N 3.35Å; A372-R374 PolarHBondContact O-N 3.19Å; A372-W375 PolarHBondContact O-N 2.92Å; A372-L376 WeakPolarHBondContact O-CB 3.39Å; A372-L376 VanDerWaalsContact O-CG 3.31Å; A372-L376 WeakPolarHBondContact O-CG 3.31Å; A372-L376 PolarHBondContact O-N 2.87Å |
| 373 | I | 95.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -58.8 | -47.6 | 175.9 | -70.9 | 163.3 | 0 | 0 | 0 | 110.2 | C369 W375 L376 M377 L410 L413 L414 T417 F556 | C369-I373 WeakPolarHBondContact O-CB 3.35Å; C369-I373 WeakPolarHBondContact O-CD1 3.27Å; C369-I373 WeakPolarHBondContact O-CG1 3.39Å; C369-I373 PolarHBondContact O-N 2.78Å; I373-W375 PolarHBondContact O-N 2.92Å; I373-L376 PolarHBondContact O-N 3.25Å; I373-M377 HydrophobicContact CG2-CG 4.19Å; I373-M377 HydrophobicContact CG2-SD 3.71Å; I373-M377 VanDerWaalsContact O-CB 3.3Å; I373-M377 WeakPolarHBondContact O-CB 3.3Å; I373-M377 VanDerWaalsContact O-CG 3.28Å; I373-M377 WeakPolarHBondContact O-CG 3.44Å; I373-M377 PolarHBondContact O-N 3.05Å; I373-L410 HydrophobicContact CG1-CD1 4.38Å; I373-L413 HydrophobicContact CD1-CG 4.31Å; I373-L413 HydrophobicContact CG1-CD2 4.19Å; I373-L413 HydrophobicContact CG1-CG 4.2Å; I373-L414 HydrophobicContact CD1-CB 4.42Å; I373-L414 HydrophobicContact CD1-CD1 4.31Å; I373-L414 HydrophobicContact CG2-CD1 4.17Å; I373-T417 HydrophobicContact CD1-CG2 4.06Å; I373-F556 HydrophobicContact CG2-CZ 4.47Å |
| 374 | R | 94.9 | Very high | 92.2 | Very high | 17 Ų | 17 | 18.9 Ų | 18.9 | 6% | 0.064 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -58.1 | -51.7 | 179.5 | -177.3 | -179.8 | -174.1 | 104.5 | 3.6 | 111.6 | N370 V371 A372 L378 D553 F556 | N370-R374 VanDerWaalsContact O-CB 3.29Å; N370-R374 WeakPolarHBondContact O-CB 3.22Å; N370-R374 PolarHBondContact O-N 2.94Å; V371-R374 PolarHBondContact O-N 3.35Å; A372-R374 VanDerWaalsContact C-N 3.35Å; A372-R374 PolarHBondContact O-N 3.19Å; R374-L378 HydrophobicContact CG-CD1 3.79Å; R374-L378 WeakPolarHBondContact O-CB 3.37Å; R374-L378 WeakPolarHBondContact O-CG 3.31Å; R374-L378 PolarHBondContact O-N 3.4Å; R374-L378 VanDerWaalsContact O-N 3.12Å; R374-D553 IonicContact NH1-OD2 2.67Å; R374-F556 VanDerWaalsContact CA-CZ 3.43Å; R374-F556 HydrophobicContact CB-CE1 3.86Å; R374-F556 HydrophobicContact CB-CE2 4.04Å; R374-F556 HydrophobicContact CB-CZ 3.61Å; R374-F556 HydrophobicContact CG-CD1 3.98Å; R374-F556 HydrophobicContact CG-CD2 4.08Å; R374-F556 HydrophobicContact CG-CE1 3.85Å; R374-F556 HydrophobicContact CG-CE2 4Å; R374-F556 HydrophobicContact CG-CG 4.08Å; R374-F556 HydrophobicContact CG-CZ 3.87Å |
| 375 | W | 95.1 | Very high | 91.6 | Very high | 5 Ų | 5 | 16.6 Ų | 16.6 | 2% | 0.019 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -63.1 | -47.9 | -177.3 | -167.9 | 96.1 | 0 | 0 | 0 | 111.5 | D286 W288 Q326 A327 Y330 V371 A372 I373 L378 H379 I399 | D286-W375 PolarHBondContact O-NE1 3.48Å; W288-W375 HydrophobicContact CH2-CZ2 4.27Å; Q326-W375 HydrophobicContact CB-CZ2 3.96Å; A327-W375 HydrophobicContact CB-CH2 4.19Å; Y330-W375 HydrophobicContact CD1-CB 4.18Å; Y330-W375 HydrophobicContact CD1-CG 4.48Å; Y330-W375 HydrophobicContact CD2-CB 4.12Å; Y330-W375 AromaticContact CD2-CD2 3.23Å; Y330-W375 HydrophobicContact CD2-CD2 3.23Å; Y330-W375 AromaticContact CD2-CE2 3.64Å; Y330-W375 AromaticContact CD2-CE3 3.4Å; Y330-W375 HydrophobicContact CD2-CE3 3.4Å; Y330-W375 VanDerWaalsContact CD2-CE3 3.4Å; Y330-W375 AromaticContact CD2-CG 3.55Å; Y330-W375 HydrophobicContact CD2-CG 3.55Å; Y330-W375 HydrophobicContact CD2-CH2 4.32Å; Y330-W375 HydrophobicContact CD2-CZ2 4.18Å; Y330-W375 AromaticContact CD2-CZ3 3.96Å; Y330-W375 HydrophobicContact CD2-CZ3 3.96Å; Y330-W375 HydrophobicContact CE1-CB 3.82Å; Y330-W375 HydrophobicContact CE1-CG 4.17Å; Y330-W375 HydrophobicContact CE2-CB 3.79Å; Y330-W375 AromaticContact CE2-CD1 3.29Å; Y330-W375 AromaticContact CE2-CD2 3.35Å; Y330-W375 HydrophobicContact CE2-CD2 3.35Å; Y330-W375 AromaticContact CE2-CE2 3.58Å; Y330-W375 HydrophobicContact CE2-CE3 4.04Å; Y330-W375 AromaticContact CE2-CG 3.19Å; Y330-W375 HydrophobicContact CE2-CG 3.19Å; Y330-W375 HydrophobicContact CE2-CZ2 4.42Å; Y330-W375 AromaticContact CE2-NE1 3.52Å; Y330-W375 HydrophobicContact CG-CB 4.32Å; Y330-W375 AromaticContact CG-CD2 3.98Å; Y330-W375 HydrophobicContact CG-CD2 3.98Å; Y330-W375 AromaticContact CG-CE3 3.82Å; Y330-W375 HydrophobicContact CG-CE3 3.82Å; Y330-W375 HydrophobicContact CG-CG 4.2Å; Y330-W375 HydrophobicContact CG-CZ3 4.47Å; Y330-W375 AromaticContact CZ-CD1 3.67Å; Y330-W375 AromaticContact CZ-CG 3.52Å; V371-W375 PolarHBondContact O-N 2.95Å; A372-W375 PolarHBondContact O-N 2.92Å; I373-W375 PolarHBondContact O-N 2.92Å; W375-L378 PolarHBondContact O-N 2.99Å; W375-H379 AromaticContact CD1-CE1 3.49Å; W375-H379 VanDerWaalsContact CD1-CE1 3.49Å; W375-H379 AromaticContact CD1-ND1 3.62Å; W375-H379 HydrophobicContact CD2-CB 4.45Å; W375-H379 AromaticContact CD2-ND1 3.54Å; W375-H379 AromaticContact CE2-CE1 3.72Å; W375-H379 AromaticContact CE2-CG 3.82Å; W375-H379 AromaticContact CE2-ND1 3.49Å; W375-H379 HydrophobicContact CE3-CB 4.32Å; W375-H379 AromaticContact CG-CE1 3.99Å; W375-H379 AromaticContact CG-ND1 3.64Å; W375-H379 HydrophobicContact CH2-CB 4.25Å; W375-H379 HydrophobicContact CZ2-CB 4.37Å; W375-H379 AromaticContact CZ2-CG 3.97Å; W375-H379 HydrophobicContact CZ3-CB 4.22Å; W375-H379 AromaticContact NE1-CE1 3.29Å; W375-H379 PolarHBondContact NE1-CE1 3.1Å; W375-H379 VanDerWaalsContact NE1-CE1 3.29Å; W375-H379 AromaticContact NE1-ND1 3.51Å; W375-H379 AromaticContact NE1-NE2 3.88Å; W375-H379 WeakPolarHBondContact O-CB 3.41Å; W375-H379 PolarHBondContact O-N 3.02Å; W375-H379 PolarHBondContact O-ND1 3.09Å; W375-I399 HydrophobicContact CH2-CG2 3.96Å; W375-I399 HydrophobicContact CZ3-CG2 4.06Å |
| 376 | L | 94.8 | Very high | 90.6 | Very high | 11 Ų | 11 | 19.2 Ų | 19.2 | 6% | 0.058 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -64.5 | -45.3 | -179.2 | -70.9 | 170.9 | 0 | 0 | 0 | 112 | S334 A372 I373 L378 T380 L410 | S334-L376 VanDerWaalsContact OG-CD1 3.31Å; S334-L376 WeakPolarHBondContact OG-CD1 3.19Å; A372-L376 WeakPolarHBondContact O-CB 3.39Å; A372-L376 VanDerWaalsContact O-CG 3.31Å; A372-L376 WeakPolarHBondContact O-CG 3.31Å; A372-L376 PolarHBondContact O-N 2.87Å; I373-L376 PolarHBondContact O-N 3.25Å; L376-L378 PolarHBondContact O-N 3.44Å; L376-T380 WeakPolarHBondContact O-CB 3.19Å; L376-T380 WeakPolarHBondContact O-CG2 3.43Å; L376-T380 PolarHBondContact O-N 2.9Å; L376-T380 VanDerWaalsContact O-N 3.08Å; L376-T380 PolarHBondContact O-OG1 3.48Å; L376-L410 HydrophobicContact CB-CD1 4.07Å; L376-L410 HydrophobicContact CB-CD2 3.96Å; L376-L410 HydrophobicContact CD1-CD1 4.01Å |
| 377 | M | 94.2 | Very high | 89.5 | Confident | 6 Ų | 6 | 23 Ų | 23 | 3% | 0.03 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -62.2 | -42.7 | 179.2 | -75.4 | -172 | 63 | 0 | 0 | 112.2 | I373 A381 L410 F556 A557 L560 F564 | I373-M377 HydrophobicContact CG2-CG 4.19Å; I373-M377 HydrophobicContact CG2-SD 3.71Å; I373-M377 VanDerWaalsContact O-CB 3.3Å; I373-M377 WeakPolarHBondContact O-CB 3.3Å; I373-M377 VanDerWaalsContact O-CG 3.28Å; I373-M377 WeakPolarHBondContact O-CG 3.44Å; I373-M377 PolarHBondContact O-N 3.05Å; M377-A381 WeakPolarHBondContact O-CB 3.43Å; M377-A381 PolarHBondContact O-N 3.3Å; M377-L410 HydrophobicContact CG-CD2 3.95Å; M377-F556 HydrophobicContact CB-CE2 4.12Å; M377-F556 HydrophobicContact SD-CE2 4.19Å; M377-A557 HydrophobicContact CE-CB 3.43Å; M377-A557 VanDerWaalsContact CE-CB 3.43Å; M377-A557 HydrophobicContact SD-CB 4.17Å; M377-L560 HydrophobicContact CB-CD1 4.5Å; M377-L560 HydrophobicContact CE-CB 3.88Å; M377-F564 HydrophobicContact CE-CD2 4.45Å; M377-F564 HydrophobicContact CE-CE2 3.82Å; M377-F564 HydrophobicContact CG-CE2 4.36Å; M377-F564 HydrophobicContact SD-CE2 4.36Å |
| 378 | L | 94.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -68.5 | -50.4 | 179 | -71.8 | 167.4 | 0 | 0 | 0 | 111.6 | V289 T297 R374 W375 L376 T380 A381 F556 L560 | V289-L378 HydrophobicContact CB-CB 4.38Å; V289-L378 HydrophobicContact CG1-CB 4.26Å; V289-L378 WeakPolarHBondContact CG1-O 3.32Å; T297-L378 HydrophobicContact CG2-CD2 4.11Å; R374-L378 HydrophobicContact CG-CD1 3.79Å; R374-L378 WeakPolarHBondContact O-CB 3.37Å; R374-L378 WeakPolarHBondContact O-CG 3.31Å; R374-L378 PolarHBondContact O-N 3.4Å; R374-L378 VanDerWaalsContact O-N 3.12Å; W375-L378 PolarHBondContact O-N 2.99Å; L376-L378 PolarHBondContact O-N 3.44Å; L378-T380 VanDerWaalsContact C-N 3.32Å; L378-T380 PolarHBondContact O-N 3.3Å; L378-A381 WeakPolarHBondContact O-CB 3.33Å; L378-A381 PolarHBondContact O-N 3.49Å; L378-F556 HydrophobicContact CD1-CD2 4.43Å; L378-F556 HydrophobicContact CD2-CD2 4.41Å; L378-F556 HydrophobicContact CG-CD2 4.18Å; L378-L560 HydrophobicContact CD2-CD1 3.93Å |
| 379 | H | 93 | Very high | 87.6 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -79 | -12.6 | -171.3 | -67.9 | 86.4 | 0 | 0 | 0 | 114.4 | N287 W288 W375 Y385 I399 | N287-H379 PolarHBondContact OD1-CE1 2.97Å; N287-H379 PolarHBondContact OD1-NE2 3.34Å; W288-H379 AromaticContact CD2-CD2 3.95Å; W288-H379 AromaticContact CD2-NE2 3.79Å; W288-H379 AromaticContact CE2-CD2 3.58Å; W288-H379 AromaticContact CE2-NE2 3.94Å; W288-H379 AromaticContact CE3-NE2 3.99Å; W288-H379 AromaticContact CZ2-CD2 3.77Å; W288-H379 PolarHBondContact N-NE2 3.35Å; W288-H379 AromaticContact NE1-CD2 3.79Å; W375-H379 AromaticContact CD1-CE1 3.49Å; W375-H379 VanDerWaalsContact CD1-CE1 3.49Å; W375-H379 AromaticContact CD1-ND1 3.62Å; W375-H379 HydrophobicContact CD2-CB 4.45Å; W375-H379 AromaticContact CD2-ND1 3.54Å; W375-H379 AromaticContact CE2-CE1 3.72Å; W375-H379 AromaticContact CE2-CG 3.82Å; W375-H379 AromaticContact CE2-ND1 3.49Å; W375-H379 HydrophobicContact CE3-CB 4.32Å; W375-H379 AromaticContact CG-CE1 3.99Å; W375-H379 AromaticContact CG-ND1 3.64Å; W375-H379 HydrophobicContact CH2-CB 4.25Å; W375-H379 HydrophobicContact CZ2-CB 4.37Å; W375-H379 AromaticContact CZ2-CG 3.97Å; W375-H379 HydrophobicContact CZ3-CB 4.22Å; W375-H379 AromaticContact NE1-CE1 3.29Å; W375-H379 PolarHBondContact NE1-CE1 3.1Å; W375-H379 VanDerWaalsContact NE1-CE1 3.29Å; W375-H379 AromaticContact NE1-ND1 3.51Å; W375-H379 AromaticContact NE1-NE2 3.88Å; W375-H379 WeakPolarHBondContact O-CB 3.41Å; W375-H379 PolarHBondContact O-N 3.02Å; W375-H379 PolarHBondContact O-ND1 3.09Å; H379-Y385 VanDerWaalsContact O-CE2 3.24Å; H379-Y385 WeakPolarHBondContact O-CE2 3.44Å; H379-Y385 PolarHBondContact O-OH 2.96Å; H379-I399 HydrophobicContact CB-CD1 4.25Å; H379-I399 HydrophobicContact CB-CG2 4.38Å |
| 380 | T | 91.5 | Very high | 86.9 | Confident | 9 Ų | 9 | 36.4 Ų | 36.4 | 6% | 0.055 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -104.6 | -4.5 | 175 | 66.2 | 0 | 0 | 0 | 0 | 113.6 | L376 L378 D382 I399 L400 Y405 | L376-T380 WeakPolarHBondContact O-CB 3.19Å; L376-T380 WeakPolarHBondContact O-CG2 3.43Å; L376-T380 PolarHBondContact O-N 2.9Å; L376-T380 VanDerWaalsContact O-N 3.08Å; L376-T380 PolarHBondContact O-OG1 3.48Å; L378-T380 VanDerWaalsContact C-N 3.32Å; L378-T380 PolarHBondContact O-N 3.3Å; T380-D382 PolarHBondContact O-N 3.39Å; T380-I399 HydrophobicContact CG2-CG2 4.27Å; T380-L400 HydrophobicContact CG2-CD2 3.9Å; T380-Y405 HydrophobicContact CG2-CD2 3.68Å; T380-Y405 HydrophobicContact CG2-CE2 3.85Å; T380-Y405 HydrophobicContact CG2-CG 4.03Å; T380-Y405 WeakPolarHBondContact OG1-CE2 3.44Å |
| 381 | A | 88.6 | Confident | 86.3 | Confident | 10 Ų | 10 | 40.3 Ų | 40.3 | 8% | 0.083 | 21% | 0.213 | C | C | . | . | trans | -60.4 | 127.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | M377 L378 S383 A384 Y385 L560 | M377-A381 WeakPolarHBondContact O-CB 3.43Å; M377-A381 PolarHBondContact O-N 3.3Å; L378-A381 WeakPolarHBondContact O-CB 3.33Å; L378-A381 PolarHBondContact O-N 3.49Å; A381-S383 VanDerWaalsContact C-N 3.29Å; A381-S383 PolarHBondContact O-N 2.89Å; A381-A384 HydrophobicContact CB-CB 4.28Å; A381-A384 PolarHBondContact O-N 2.6Å; A381-Y385 WeakPolarHBondContact O-CD2 3.47Å; A381-L560 HydrophobicContact CB-CD1 4.48Å; A381-L560 HydrophobicContact CB-CD2 3.62Å | ||
| 382 | D | 82.8 | Confident | 85.6 | Confident | 123 Ų | 123 | 40.5 Ų | 40.5 | 66% | 0.658 | 21% | 0.214 | S | C | * | . | G | 310 helix | trans | -62 | -37.3 | 176.9 | -70.5 | -36.7 | 0 | 0 | 0 | 112.6 | T380 A384 Y385 K396 | T380-D382 PolarHBondContact O-N 3.39Å; D382-A384 PolarHBondContact O-N 3.01Å; D382-Y385 PolarHBondContact O-N 2.68Å; D382-K396 IonicContact OD1-NZ 3.36Å; D382-K396 PolarHBondContact OD1-NZ 3.09Å |
| 383 | S | 77.8 | Confident | 84.9 | Confident | 88 Ų | 88 | 45.8 Ų | 45.8 | 62% | 0.615 | 23% | 0.234 | S | C | * | . | G | 310 helix | trans | -63.5 | -20.8 | -179.6 | 57.8 | 0 | 0 | 0 | 0 | 114.1 | T297 A381 | T297-S383 PolarHBondContact OG1-OG 2.86Å; A381-S383 VanDerWaalsContact C-N 3.29Å; A381-S383 PolarHBondContact O-N 2.89Å |
| 384 | A | 78.7 | Confident | 84.5 | Confident | 9 Ų | 9 | 52.1 Ų | 52.1 | 7% | 0.074 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -85.2 | -7.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | V289 N299 A381 D382 | V289-A384 HydrophobicContact CG1-CB 3.52Å; V289-A384 HydrophobicContact CG2-CB 4.4Å; N299-A384 WeakPolarHBondContact CB-O 3.25Å; N299-A384 PolarHBondContact ND2-O 3.46Å; A381-A384 HydrophobicContact CB-CB 4.28Å; A381-A384 PolarHBondContact O-N 2.6Å; D382-A384 PolarHBondContact O-N 3.01Å |
| 385 | Y | 80.6 | Confident | 84.1 | Confident | 14 Ų | 14 | 51.8 Ų | 51.8 | 6% | 0.055 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -130.1 | 122 | -175.6 | -61 | -91.7 | 0 | 0 | 0 | 111.2 | H379 A381 D382 P387 F392 K396 I399 | H379-Y385 VanDerWaalsContact O-CE2 3.24Å; H379-Y385 WeakPolarHBondContact O-CE2 3.44Å; H379-Y385 PolarHBondContact O-OH 2.96Å; A381-Y385 WeakPolarHBondContact O-CD2 3.47Å; D382-Y385 PolarHBondContact O-N 2.68Å; Y385-P387 WeakPolarHBondContact O-CD 3.48Å; Y385-F392 HydrophobicContact CD1-CB 4.09Å; Y385-K396 HydrophobicContact CD1-CB 4.07Å; Y385-K396 HydrophobicContact CD2-CB 4.44Å; Y385-K396 HydrophobicContact CD2-CD 3.71Å; Y385-K396 HydrophobicContact CD2-CG 4.15Å; Y385-K396 HydrophobicContact CE1-CB 4.05Å; Y385-K396 HydrophobicContact CE2-CB 4.42Å; Y385-K396 HydrophobicContact CE2-CD 4.19Å; Y385-K396 HydrophobicContact CE2-CG 4.14Å; Y385-K396 HydrophobicContact CG-CB 4.26Å; Y385-K396 HydrophobicContact CG-CD 3.9Å; Y385-K396 HydrophobicContact CG-CG 4.39Å; Y385-I399 WeakPolarHBondContact OH-CD1 3.44Å |
| 386 | D | 74.7 | Confident | 83.8 | Confident | 58 Ų | 58 | 52.9 Ų | 52.9 | 31% | 0.31 | 27% | 0.267 | S | S | . | . | trans | -68.6 | 117.2 | 170.6 | 177.8 | 8.4 | 0 | 0 | 0 | 110.1 | N388 N389 F392 | D386-N388 PolarHBondContact O-N 3.25Å; D386-N388 VanDerWaalsContact O-N 3.13Å; D386-N388 WeakPolarHBondContact OD1-CB 3.22Å; D386-N388 PolarHBondContact OD1-N 3.17Å; D386-N388 PolarHBondContact OD1-ND2 3.48Å; D386-N388 VanDerWaalsContact OD1-ND2 3.09Å; D386-N389 HydrophobicContact CB-CB 4.49Å; D386-N389 PolarHBondContact O-N 2.59Å; D386-N389 VanDerWaalsContact O-N 3.15Å; D386-F392 HydrophobicContact CB-CD2 4.31Å | ||
| 387 | P | 69.8 | Low | 83.5 | Confident | 83 Ų | 83 | 56.6 Ų | 56.6 | 54% | 0.539 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -19.8 | 179.7 | 26 | -35.1 | 0 | 0 | 0 | 113.1 | Y385 N389 R393 | Y385-P387 WeakPolarHBondContact O-CD 3.48Å; P387-N389 VanDerWaalsContact C-N 3.35Å; P387-R393 VanDerWaalsContact O-CD 3.25Å; P387-R393 WeakPolarHBondContact O-CD 3.33Å; P387-R393 VanDerWaalsContact O-CZ 3.25Å; P387-R393 PolarHBondContact O-NE 2.9Å; P387-R393 PolarHBondContact O-NH2 3.23Å |
| 388 | N | 74.2 | Confident | 83.3 | Confident | 111 Ų | 111 | 58.2 Ų | 58.2 | 59% | 0.594 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -21.1 | 179.9 | -60.7 | -57.6 | 0 | 0 | 0 | 112.7 | D386 | D386-N388 PolarHBondContact O-N 3.25Å; D386-N388 VanDerWaalsContact O-N 3.13Å; D386-N388 WeakPolarHBondContact OD1-CB 3.22Å; D386-N388 PolarHBondContact OD1-N 3.17Å; D386-N388 PolarHBondContact OD1-ND2 3.48Å; D386-N388 VanDerWaalsContact OD1-ND2 3.09Å |
| 389 | N | 78.3 | Confident | 83.2 | Confident | 55 Ų | 55 | 58.2 Ų | 58.2 | 29% | 0.294 | 30% | 0.295 | S | S | . | . | trans | -87.6 | 117.6 | -178.3 | -168.9 | -32.4 | 0 | 0 | 0 | 111.9 | D386 P387 R391 F392 R393 | D386-N389 HydrophobicContact CB-CB 4.49Å; D386-N389 PolarHBondContact O-N 2.59Å; D386-N389 VanDerWaalsContact O-N 3.15Å; P387-N389 VanDerWaalsContact C-N 3.35Å; N389-R391 PolarHBondContact O-N 3.27Å; N389-R391 PolarHBondContact OD1-N 3.04Å; N389-F392 HydrophobicContact CB-CB 4.06Å; N389-F392 HydrophobicContact CB-CD2 3.47Å; N389-F392 VanDerWaalsContact CB-CD2 3.47Å; N389-F392 HydrophobicContact CB-CE2 4Å; N389-F392 HydrophobicContact CB-CG 3.84Å; N389-F392 WeakPolarHBondContact ND2-CE2 3.33Å; N389-F392 VanDerWaalsContact ND2-CZ 3.35Å; N389-F392 WeakPolarHBondContact ND2-CZ 3.28Å; N389-F392 PolarHBondContact O-N 3.48Å; N389-R393 PolarHBondContact O-N 3.39Å | ||
| 390 | K | 81.4 | Confident | 83.2 | Confident | 155 Ų | 155 | 60.6 Ų | 60.6 | 67% | 0.674 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -62.5 | -39.2 | -178.5 | -70.6 | -175.7 | 179.7 | -179.6 | 0 | 113.2 | R393 Q394 | K390-R393 PolarHBondContact O-N 2.69Å; K390-Q394 WeakPolarHBondContact O-CG 3.36Å; K390-Q394 PolarHBondContact O-N 3.25Å; K390-Q394 VanDerWaalsContact O-N 3.08Å |
| 391 | R | 81.7 | Confident | 83.3 | Confident | 90 Ų | 90 | 64.8 Ų | 64.8 | 34% | 0.34 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -66.4 | -41 | -178.6 | -175.5 | -179.2 | -180 | -167.8 | 0.2 | 111 | N389 Q394 I395 | N389-R391 PolarHBondContact O-N 3.27Å; N389-R391 PolarHBondContact OD1-N 3.04Å; R391-Q394 PolarHBondContact O-N 3.34Å; R391-I395 HydrophobicContact CG-CD1 4.26Å; R391-I395 WeakPolarHBondContact O-CG1 3.43Å; R391-I395 PolarHBondContact O-N 3.17Å; R391-I395 VanDerWaalsContact O-N 3.1Å |
| 392 | F | 80.5 | Confident | 83.5 | Confident | 6 Ų | 6 | 66 Ų | 66 | 3% | 0.026 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -66.8 | -41.9 | 179.7 | -65.5 | -7.8 | 0 | 0 | 0 | 111.9 | V301 D302 Y385 D386 N389 I395 K396 | V301-F392 HydrophobicContact CB-CD1 4.45Å; V301-F392 HydrophobicContact CB-CE1 3.76Å; V301-F392 HydrophobicContact CB-CZ 4.36Å; V301-F392 HydrophobicContact CG1-CD1 4.26Å; V301-F392 HydrophobicContact CG1-CE1 3.5Å; V301-F392 HydrophobicContact CG1-CZ 4.36Å; D302-F392 HydrophobicContact CB-CE2 3.73Å; D302-F392 HydrophobicContact CB-CZ 3.66Å; Y385-F392 HydrophobicContact CD1-CB 4.09Å; D386-F392 HydrophobicContact CB-CD2 4.31Å; N389-F392 HydrophobicContact CB-CB 4.06Å; N389-F392 HydrophobicContact CB-CD2 3.47Å; N389-F392 VanDerWaalsContact CB-CD2 3.47Å; N389-F392 HydrophobicContact CB-CE2 4Å; N389-F392 HydrophobicContact CB-CG 3.84Å; N389-F392 WeakPolarHBondContact ND2-CE2 3.33Å; N389-F392 VanDerWaalsContact ND2-CZ 3.35Å; N389-F392 WeakPolarHBondContact ND2-CZ 3.28Å; N389-F392 PolarHBondContact O-N 3.48Å; F392-I395 PolarHBondContact O-N 2.95Å; F392-K396 WeakPolarHBondContact O-CB 3.37Å; F392-K396 PolarHBondContact O-N 3.18Å |
| 393 | R | 81.7 | Confident | 83.8 | Confident | 111 Ų | 111 | 60.5 Ų | 60.5 | 42% | 0.419 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60 | -47 | 172.6 | -76.2 | -173.1 | -75.4 | 173.2 | -14.7 | 112.4 | P387 N389 K390 I395 K396 D397 | P387-R393 VanDerWaalsContact O-CD 3.25Å; P387-R393 WeakPolarHBondContact O-CD 3.33Å; P387-R393 VanDerWaalsContact O-CZ 3.25Å; P387-R393 PolarHBondContact O-NE 2.9Å; P387-R393 PolarHBondContact O-NH2 3.23Å; N389-R393 PolarHBondContact O-N 3.39Å; K390-R393 PolarHBondContact O-N 2.69Å; R393-I395 PolarHBondContact O-N 3.47Å; R393-K396 PolarHBondContact O-N 3.31Å; R393-D397 WeakPolarHBondContact O-CB 3.3Å; R393-D397 PolarHBondContact O-N 3.45Å |
| 394 | Q | 86.5 | Confident | 84.5 | Confident | 134 Ų | 134 | 64.7 Ų | 64.7 | 63% | 0.626 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -59 | -44.8 | 178.6 | -74.8 | 175.1 | -12.2 | 0 | 0 | 112.9 | K390 R391 Q398 | K390-Q394 WeakPolarHBondContact O-CG 3.36Å; K390-Q394 PolarHBondContact O-N 3.25Å; K390-Q394 VanDerWaalsContact O-N 3.08Å; R391-Q394 PolarHBondContact O-N 3.34Å; Q394-Q398 WeakPolarHBondContact O-CB 3.47Å; Q394-Q398 PolarHBondContact O-N 3.17Å |
| 395 | I | 86.7 | Confident | 85.1 | Confident | 9 Ų | 9 | 67.3 Ų | 67.3 | 5% | 0.046 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62 | -47.8 | 176.8 | -69.3 | 169.2 | 0 | 0 | 0 | 110 | W288 R391 F392 R393 Q398 I399 | W288-I395 HydrophobicContact CZ2-CG2 4.22Å; R391-I395 HydrophobicContact CG-CD1 4.26Å; R391-I395 WeakPolarHBondContact O-CG1 3.43Å; R391-I395 PolarHBondContact O-N 3.17Å; R391-I395 VanDerWaalsContact O-N 3.1Å; F392-I395 PolarHBondContact O-N 2.95Å; R393-I395 PolarHBondContact O-N 3.47Å; I395-Q398 PolarHBondContact O-N 2.65Å; I395-I399 HydrophobicContact CG2-CD1 3.91Å; I395-I399 VanDerWaalsContact O-CG1 3.27Å; I395-I399 WeakPolarHBondContact O-CG1 3.42Å; I395-I399 PolarHBondContact O-N 3.18Å |
| 396 | K | 88.6 | Confident | 85.6 | Confident | 28 Ų | 28 | 69.8 Ų | 69.8 | 12% | 0.122 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.1 | -47.2 | 179.1 | -172.1 | -177.3 | -178.1 | 179.6 | 0 | 112.4 | D382 Y385 F392 R393 Q398 I399 L400 | D382-K396 IonicContact OD1-NZ 3.36Å; D382-K396 PolarHBondContact OD1-NZ 3.09Å; Y385-K396 HydrophobicContact CD1-CB 4.07Å; Y385-K396 HydrophobicContact CD2-CB 4.44Å; Y385-K396 HydrophobicContact CD2-CD 3.71Å; Y385-K396 HydrophobicContact CD2-CG 4.15Å; Y385-K396 HydrophobicContact CE1-CB 4.05Å; Y385-K396 HydrophobicContact CE2-CB 4.42Å; Y385-K396 HydrophobicContact CE2-CD 4.19Å; Y385-K396 HydrophobicContact CE2-CG 4.14Å; Y385-K396 HydrophobicContact CG-CB 4.26Å; Y385-K396 HydrophobicContact CG-CD 3.9Å; Y385-K396 HydrophobicContact CG-CG 4.39Å; F392-K396 WeakPolarHBondContact O-CB 3.37Å; F392-K396 PolarHBondContact O-N 3.18Å; R393-K396 PolarHBondContact O-N 3.31Å; K396-Q398 VanDerWaalsContact C-N 3.27Å; K396-Q398 PolarHBondContact O-N 3.23Å; K396-I399 WeakPolarHBondContact O-CB 3.07Å; K396-I399 PolarHBondContact O-N 3.31Å; K396-I399 VanDerWaalsContact O-N 3.14Å; K396-L400 HydrophobicContact CG-CD1 4.13Å; K396-L400 HydrophobicContact CG-CG 4.36Å; K396-L400 VanDerWaalsContact O-CG 3.29Å; K396-L400 WeakPolarHBondContact O-CG 3.33Å; K396-L400 PolarHBondContact O-N 3.13Å |
| 397 | D | 89.2 | Confident | 86.3 | Confident | 89 Ų | 89 | 69.3 Ų | 69.3 | 48% | 0.476 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.1 | -38.6 | 179.5 | -67.8 | -21.6 | 0 | 0 | 0 | 111 | R393 L400 T401 | R393-D397 WeakPolarHBondContact O-CB 3.3Å; R393-D397 PolarHBondContact O-N 3.45Å; D397-L400 PolarHBondContact O-N 2.95Å; D397-T401 WeakPolarHBondContact O-CB 3.22Å; D397-T401 PolarHBondContact O-N 2.95Å; D397-T401 PolarHBondContact O-OG1 3.2Å |
| 398 | Q | 90.1 | Very high | 87.4 | Confident | 40 Ų | 40 | 72.8 Ų | 72.8 | 19% | 0.187 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.9 | -46.8 | 174.2 | -169.9 | 69.4 | 66.6 | 0 | 0 | 111 | R324 Q394 I395 K396 L400 T401 D402 | R324-Q398 HydrophobicContact CG-CG 4.02Å; R324-Q398 VanDerWaalsContact NE-CD 3.31Å; Q394-Q398 WeakPolarHBondContact O-CB 3.47Å; Q394-Q398 PolarHBondContact O-N 3.17Å; I395-Q398 PolarHBondContact O-N 2.65Å; K396-Q398 VanDerWaalsContact C-N 3.27Å; K396-Q398 PolarHBondContact O-N 3.23Å; Q398-L400 PolarHBondContact O-N 2.73Å; Q398-T401 PolarHBondContact O-N 2.9Å; Q398-D402 PolarHBondContact NE2-OD1 3.47Å; Q398-D402 VanDerWaalsContact NE2-OD1 3.13Å; Q398-D402 PolarHBondContact NE2-OD2 2.7Å; Q398-D402 PolarHBondContact O-N 3.15Å |
| 399 | I | 92.2 | Very high | 88.2 | Confident | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -58.2 | -49.7 | 176 | -65.7 | 163.4 | 0 | 0 | 0 | 110.4 | W288 V323 W375 H379 T380 Y385 I395 K396 T401 D402 S403 | W288-I399 HydrophobicContact CZ2-CD1 3.71Å; W288-I399 HydrophobicContact CZ2-CG1 4.39Å; V323-I399 HydrophobicContact CG1-CG1 3.83Å; W375-I399 HydrophobicContact CH2-CG2 3.96Å; W375-I399 HydrophobicContact CZ3-CG2 4.06Å; H379-I399 HydrophobicContact CB-CD1 4.25Å; H379-I399 HydrophobicContact CB-CG2 4.38Å; T380-I399 HydrophobicContact CG2-CG2 4.27Å; Y385-I399 WeakPolarHBondContact OH-CD1 3.44Å; I395-I399 HydrophobicContact CG2-CD1 3.91Å; I395-I399 VanDerWaalsContact O-CG1 3.27Å; I395-I399 WeakPolarHBondContact O-CG1 3.42Å; I395-I399 PolarHBondContact O-N 3.18Å; K396-I399 WeakPolarHBondContact O-CB 3.07Å; K396-I399 PolarHBondContact O-N 3.31Å; K396-I399 VanDerWaalsContact O-N 3.14Å; I399-T401 VanDerWaalsContact C-N 3.27Å; I399-T401 PolarHBondContact O-N 2.89Å; I399-D402 PolarHBondContact O-N 3.43Å; I399-S403 WeakPolarHBondContact O-CB 3.43Å; I399-S403 PolarHBondContact O-N 3.24Å; I399-S403 PolarHBondContact O-OG 3.37Å |
| 400 | L | 91.9 | Very high | 88.9 | Confident | 51 Ų | 51 | 69.8 Ų | 69.8 | 27% | 0.267 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60 | -39.9 | -178.7 | -68.3 | 174.2 | 0 | 0 | 0 | 111.8 | T380 K396 D397 Q398 R404 Y405 | T380-L400 HydrophobicContact CG2-CD2 3.9Å; K396-L400 HydrophobicContact CG-CD1 4.13Å; K396-L400 HydrophobicContact CG-CG 4.36Å; K396-L400 VanDerWaalsContact O-CG 3.29Å; K396-L400 WeakPolarHBondContact O-CG 3.33Å; K396-L400 PolarHBondContact O-N 3.13Å; D397-L400 PolarHBondContact O-N 2.95Å; Q398-L400 PolarHBondContact O-N 2.73Å; L400-R404 PolarHBondContact O-N 3.07Å; L400-Y405 HydrophobicContact CD2-CD1 3.4Å; L400-Y405 HydrophobicContact CD2-CE1 4.09Å; L400-Y405 HydrophobicContact CD2-CG 3.72Å; L400-Y405 PolarHBondContact O-N 3.32Å |
| 401 | T | 92.7 | Very high | 89.4 | Confident | 97 Ų | 97 | 62.6 Ų | 62.6 | 60% | 0.595 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -69.6 | -53.7 | 179.9 | -56.1 | 0 | 0 | 0 | 0 | 111.6 | D397 Q398 I399 R404 | D397-T401 WeakPolarHBondContact O-CB 3.22Å; D397-T401 PolarHBondContact O-N 2.95Å; D397-T401 PolarHBondContact O-OG1 3.2Å; Q398-T401 PolarHBondContact O-N 2.9Å; I399-T401 VanDerWaalsContact C-N 3.27Å; I399-T401 PolarHBondContact O-N 2.89Å; T401-R404 PolarHBondContact O-N 2.77Å |
| 402 | D | 92.7 | Very high | 89.9 | Confident | 35 Ų | 35 | 60.9 Ų | 60.9 | 19% | 0.187 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -76.5 | -29.1 | -172.9 | -64.7 | -19 | 0 | 0 | 0 | 112.9 | R324 A327 Q398 I399 R404 | R324-D402 WeakPolarHBondContact CA-OD2 3.41Å; R324-D402 WeakPolarHBondContact CB-OD2 3.43Å; R324-D402 WeakPolarHBondContact CG-OD2 3.48Å; A327-D402 HydrophobicContact CB-CB 3.68Å; Q398-D402 PolarHBondContact NE2-OD1 3.47Å; Q398-D402 VanDerWaalsContact NE2-OD1 3.13Å; Q398-D402 PolarHBondContact NE2-OD2 2.7Å; Q398-D402 PolarHBondContact O-N 3.15Å; I399-D402 PolarHBondContact O-N 3.43Å; D402-R404 PolarHBondContact O-N 2.96Å |
| 403 | S | 90.9 | Very high | 90.6 | Very high | 8 Ų | 8 | 60.7 Ų | 60.7 | 6% | 0.056 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -4.9 | 172.5 | 66.7 | 0 | 0 | 0 | 0 | 113.2 | A327 A331 I399 Y405 | A327-S403 WeakPolarHBondContact O-CA 3.41Å; A331-S403 WeakPolarHBondContact CB-O 3.41Å; I399-S403 WeakPolarHBondContact O-CB 3.43Å; I399-S403 PolarHBondContact O-N 3.24Å; I399-S403 PolarHBondContact O-OG 3.37Å; S403-Y405 PolarHBondContact O-N 3.34Å |
| 404 | R | 91.4 | Very high | 91.2 | Very high | 176 Ų | 176 | 55.5 Ų | 55.5 | 66% | 0.664 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.5 | 43.2 | -171.9 | -57.3 | 177.3 | -178.5 | 170.9 | -1 | 111.3 | E335 L400 T401 D402 N406 | E335-R404 IonicContact OE1-NH1 3.05Å; E335-R404 PolarHBondContact OE1-NH1 3.1Å; E335-R404 IonicContact OE2-NH1 2.81Å; L400-R404 PolarHBondContact O-N 3.07Å; T401-R404 PolarHBondContact O-N 2.77Å; D402-R404 PolarHBondContact O-N 2.96Å; R404-N406 PolarHBondContact O-N 3.41Å |
| 405 | Y | 91.1 | Very high | 91.5 | Very high | 63 Ų | 63 | 49.1 Ų | 49.1 | 25% | 0.247 | 23% | 0.234 | C | C | . | . | trans | -60.5 | 126.4 | -167.6 | 178.1 | -107.2 | 0 | 0 | 0 | 111.8 | T380 L400 S403 P407 L410 | T380-Y405 HydrophobicContact CG2-CD2 3.68Å; T380-Y405 HydrophobicContact CG2-CE2 3.85Å; T380-Y405 HydrophobicContact CG2-CG 4.03Å; T380-Y405 WeakPolarHBondContact OG1-CE2 3.44Å; L400-Y405 HydrophobicContact CD2-CD1 3.4Å; L400-Y405 HydrophobicContact CD2-CE1 4.09Å; L400-Y405 HydrophobicContact CD2-CG 3.72Å; L400-Y405 PolarHBondContact O-N 3.32Å; S403-Y405 PolarHBondContact O-N 3.34Å; Y405-P407 HydrophobicContact CE1-CB 4.07Å; Y405-P407 HydrophobicContact CE1-CG 4.33Å; Y405-L410 HydrophobicContact CE2-CB 4.39Å; Y405-L410 HydrophobicContact CE2-CD2 3.7Å | ||
| 406 | N | 90.7 | Very high | 91.9 | Very high | 67 Ų | 67 | 48.9 Ų | 48.9 | 36% | 0.358 | 23% | 0.233 | S | C | . | . | trans | -133.3 | 116.8 | 168 | -175.9 | -32.1 | 0 | 0 | 0 | 108.9 | R404 R408 I409 L410 | R404-N406 PolarHBondContact O-N 3.41Å; N406-R408 PolarHBondContact O-N 3Å; N406-R408 WeakPolarHBondContact OD1-CB 3.45Å; N406-R408 PolarHBondContact OD1-N 3.44Å; N406-I409 HydrophobicContact CB-CB 4.1Å; N406-I409 HydrophobicContact CB-CD1 3.8Å; N406-I409 HydrophobicContact CB-CG1 3.85Å; N406-I409 PolarHBondContact O-N 3.45Å; N406-L410 PolarHBondContact O-N 3.05Å | ||
| 407 | P | 90.6 | Very high | 92.2 | Very high | 48 Ų | 48 | 47.5 Ų | 47.5 | 31% | 0.312 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.7 | -28.1 | -175.6 | 25.7 | -34.8 | 0 | 0 | 0 | 112.6 | Y405 F411 F564 I567 | Y405-P407 HydrophobicContact CE1-CB 4.07Å; Y405-P407 HydrophobicContact CE1-CG 4.33Å; P407-F411 WeakPolarHBondContact O-CB 3.4Å; P407-F411 PolarHBondContact O-N 3Å; P407-F564 HydrophobicContact CB-CE1 4.4Å; P407-F564 WeakPolarHBondContact O-CE1 3.5Å; P407-I567 HydrophobicContact CB-CD1 3.8Å; P407-I567 HydrophobicContact CG-CD1 4.26Å |
| 408 | R | 91.6 | Very high | 92.4 | Very high | 156 Ų | 156 | 43.4 Ų | 43.4 | 59% | 0.589 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -71.4 | -37.5 | 175.9 | -64.4 | -176.4 | 177.6 | -126.1 | -0.2 | 112.1 | N406 Q412 I567 | N406-R408 PolarHBondContact O-N 3Å; N406-R408 WeakPolarHBondContact OD1-CB 3.45Å; N406-R408 PolarHBondContact OD1-N 3.44Å; R408-Q412 WeakPolarHBondContact O-CB 3.36Å; R408-Q412 PolarHBondContact O-N 3.48Å; R408-I567 HydrophobicContact CG-CD1 4.27Å; R408-I567 HydrophobicContact CG-CG2 4.22Å |
| 409 | I | 91 | Very high | 92.6 | Very high | 94 Ų | 94 | 43.4 Ų | 43.4 | 48% | 0.482 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -70.8 | -44.6 | 178 | -61.2 | 179.5 | 0 | 0 | 0 | 109.9 | N406 F411 Q412 L413 | N406-I409 HydrophobicContact CB-CB 4.1Å; N406-I409 HydrophobicContact CB-CD1 3.8Å; N406-I409 HydrophobicContact CB-CG1 3.85Å; N406-I409 PolarHBondContact O-N 3.45Å; I409-F411 VanDerWaalsContact C-N 3.32Å; I409-F411 PolarHBondContact O-N 3.3Å; I409-Q412 PolarHBondContact O-N 3.26Å; I409-L413 PolarHBondContact O-N 3.46Å |
| 410 | L | 93.1 | Very high | 92.7 | Very high | 8 Ų | 8 | 43.4 Ų | 43.4 | 4% | 0.042 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.4 | -43.8 | 175.3 | 177.6 | 58.8 | 0 | 0 | 0 | 111.4 | I373 L376 M377 Y405 N406 Q412 L413 L414 F564 | I373-L410 HydrophobicContact CG1-CD1 4.38Å; L376-L410 HydrophobicContact CB-CD1 4.07Å; L376-L410 HydrophobicContact CB-CD2 3.96Å; L376-L410 HydrophobicContact CD1-CD1 4.01Å; M377-L410 HydrophobicContact CG-CD2 3.95Å; Y405-L410 HydrophobicContact CE2-CB 4.39Å; Y405-L410 HydrophobicContact CE2-CD2 3.7Å; N406-L410 PolarHBondContact O-N 3.05Å; L410-Q412 PolarHBondContact O-N 3.41Å; L410-L413 PolarHBondContact O-N 3.43Å; L410-L414 PolarHBondContact O-N 2.87Å; L410-F564 HydrophobicContact CD2-CZ 3.92Å; L410-F564 HydrophobicContact CG-CZ 4.25Å |
| 411 | F | 92.7 | Very high | 92.8 | Very high | 4 Ų | 4 | 41.3 Ų | 41.3 | 2% | 0.018 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.1 | -44.8 | 174.6 | 172.4 | -113.1 | 0 | 0 | 0 | 112.2 | P407 I409 L413 L414 L415 F564 I567 M568 L582 | P407-F411 WeakPolarHBondContact O-CB 3.4Å; P407-F411 PolarHBondContact O-N 3Å; I409-F411 VanDerWaalsContact C-N 3.32Å; I409-F411 PolarHBondContact O-N 3.3Å; F411-L413 VanDerWaalsContact C-N 3.34Å; F411-L413 PolarHBondContact O-N 2.95Å; F411-L414 PolarHBondContact O-N 3.49Å; F411-L415 HydrophobicContact CE1-CD1 4.19Å; F411-L415 HydrophobicContact CE2-CD1 4.42Å; F411-L415 HydrophobicContact CZ-CD1 3.75Å; F411-L415 WeakPolarHBondContact O-CB 3.25Å; F411-L415 PolarHBondContact O-N 3.05Å; F411-F564 HydrophobicContact CB-CD1 3.77Å; F411-F564 HydrophobicContact CB-CE1 4.11Å; F411-F564 HydrophobicContact CD2-CB 4.22Å; F411-F564 HydrophobicContact CD2-CD1 4.34Å; F411-F564 HydrophobicContact CD2-CG 4.43Å; F411-F564 HydrophobicContact CG-CD1 4.37Å; F411-I567 HydrophobicContact CB-CG2 4.4Å; F411-I567 HydrophobicContact CD1-CG2 3.6Å; F411-I567 HydrophobicContact CE1-CG2 4.16Å; F411-I567 HydrophobicContact CG-CG2 4.1Å; F411-M568 HydrophobicContact CD2-CE 4.19Å; F411-M568 HydrophobicContact CD2-CG 4.27Å; F411-M568 HydrophobicContact CE1-CG 4.45Å; F411-M568 HydrophobicContact CE2-CE 3.6Å; F411-M568 HydrophobicContact CE2-CG 3.4Å; F411-M568 HydrophobicContact CE2-SD 4.31Å; F411-M568 HydrophobicContact CZ-CB 4.33Å; F411-M568 HydrophobicContact CZ-CG 3.51Å; F411-L582 HydrophobicContact CE2-CD2 4.22Å; F411-L582 HydrophobicContact CZ-CD2 3.89Å |
| 412 | Q | 92.2 | Very high | 92.7 | Very high | 54 Ų | 54 | 39 Ų | 39 | 25% | 0.252 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -62.6 | -41.5 | 177 | -173.6 | 62.6 | 40.9 | 0 | 0 | 111.5 | R408 I409 L410 L415 D416 | R408-Q412 WeakPolarHBondContact O-CB 3.36Å; R408-Q412 PolarHBondContact O-N 3.48Å; I409-Q412 PolarHBondContact O-N 3.26Å; L410-Q412 PolarHBondContact O-N 3.41Å; Q412-L415 PolarHBondContact O-N 3.4Å; Q412-D416 PolarHBondContact NE2-OD1 2.8Å; Q412-D416 PolarHBondContact NE2-OD2 2.8Å; Q412-D416 WeakPolarHBondContact O-CB 3.43Å; Q412-D416 PolarHBondContact O-N 3.35Å |
| 413 | L | 94.2 | Very high | 92.7 | Very high | 3 Ų | 3 | 39.7 Ų | 39.7 | 2% | 0.016 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.7 | -44.4 | 174.7 | 176.4 | 61.4 | 0 | 0 | 0 | 111.6 | V337 H338 I373 I409 L410 F411 L415 T417 | V337-L413 HydrophobicContact CG2-CD1 3.98Å; V337-L413 HydrophobicContact CG2-CD2 4.28Å; H338-L413 HydrophobicContact CB-CD1 4.1Å; I373-L413 HydrophobicContact CD1-CG 4.31Å; I373-L413 HydrophobicContact CG1-CD2 4.19Å; I373-L413 HydrophobicContact CG1-CG 4.2Å; I409-L413 PolarHBondContact O-N 3.46Å; L410-L413 PolarHBondContact O-N 3.43Å; F411-L413 VanDerWaalsContact C-N 3.34Å; F411-L413 PolarHBondContact O-N 2.95Å; L413-L415 VanDerWaalsContact C-N 3.34Å; L413-L415 PolarHBondContact O-N 3.09Å; L413-T417 WeakPolarHBondContact O-CB 3.33Å; L413-T417 PolarHBondContact O-N 3.35Å; L413-T417 PolarHBondContact O-OG1 2.83Å |
| 414 | L | 94.8 | Very high | 92.8 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.8 | -46.3 | 174.9 | 172.1 | 64 | 0 | 0 | 0 | 111.4 | I373 L410 F411 T417 A418 L554 I561 T585 | I373-L414 HydrophobicContact CD1-CB 4.42Å; I373-L414 HydrophobicContact CD1-CD1 4.31Å; I373-L414 HydrophobicContact CG2-CD1 4.17Å; L410-L414 PolarHBondContact O-N 2.87Å; F411-L414 PolarHBondContact O-N 3.49Å; L414-T417 PolarHBondContact O-N 3.29Å; L414-A418 WeakPolarHBondContact O-CB 3.21Å; L414-A418 PolarHBondContact O-N 2.98Å; L414-L554 HydrophobicContact CD1-CD1 4.43Å; L414-L554 HydrophobicContact CD1-CD2 4.3Å; L414-I561 HydrophobicContact CD2-CD1 3.67Å; L414-T585 HydrophobicContact CD2-CG2 4.24Å; L414-T585 HydrophobicContact CG-CG2 4.24Å |
| 415 | L | 93.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -66.1 | -45.9 | -177.7 | -179.6 | 146.9 | 0 | 0 | 0 | 112 | F411 Q412 L413 A418 Q419 M578 K581 L582 | F411-L415 HydrophobicContact CE1-CD1 4.19Å; F411-L415 HydrophobicContact CE2-CD1 4.42Å; F411-L415 HydrophobicContact CZ-CD1 3.75Å; F411-L415 WeakPolarHBondContact O-CB 3.25Å; F411-L415 PolarHBondContact O-N 3.05Å; Q412-L415 PolarHBondContact O-N 3.4Å; L413-L415 VanDerWaalsContact C-N 3.34Å; L413-L415 PolarHBondContact O-N 3.09Å; L415-A418 PolarHBondContact O-N 3.39Å; L415-Q419 WeakPolarHBondContact O-CB 3.42Å; L415-Q419 PolarHBondContact O-N 2.91Å; L415-M578 HydrophobicContact CD1-CE 3.53Å; L415-M578 HydrophobicContact CD2-CE 4.04Å; L415-M578 HydrophobicContact CG-CE 4.47Å; L415-K581 HydrophobicContact CD1-CB 4.11Å; L415-K581 HydrophobicContact CD2-CB 3.59Å; L415-K581 HydrophobicContact CD2-CD 3.47Å; L415-K581 VanDerWaalsContact CD2-CD 3.47Å; L415-K581 HydrophobicContact CD2-CG 4.17Å; L415-K581 HydrophobicContact CG-CB 3.91Å; L415-L582 HydrophobicContact CD1-CD2 4.09Å; L415-L582 HydrophobicContact CD1-CG 4.33Å |
| 416 | D | 94.2 | Very high | 92.9 | Very high | 4 Ų | 4 | 33.1 Ų | 33.1 | 2% | 0.021 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -67.5 | -39.3 | 176.7 | -69.5 | -26.7 | 0 | 0 | 0 | 110.9 | H338 V341 L345 Q412 Q419 F420 | H338-D416 IonicContact CE1-OD2 3.58Å; V341-D416 HydrophobicContact CG1-CB 3.82Å; L345-D416 HydrophobicContact CD1-CB 3.81Å; L345-D416 WeakPolarHBondContact CD1-O 3.47Å; Q412-D416 PolarHBondContact NE2-OD1 2.8Å; Q412-D416 PolarHBondContact NE2-OD2 2.8Å; Q412-D416 WeakPolarHBondContact O-CB 3.43Å; Q412-D416 PolarHBondContact O-N 3.35Å; D416-Q419 PolarHBondContact O-N 3.47Å; D416-F420 WeakPolarHBondContact O-CB 3.34Å; D416-F420 PolarHBondContact O-N 3.46Å |
| 417 | T | 95.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.1 | -45.6 | 175.7 | -58.9 | 0 | 0 | 0 | 0 | 111.4 | C369 I373 L413 L414 Q419 F420 E421 | C369-T417 HydrophobicContact CB-CG2 3.58Å; I373-T417 HydrophobicContact CD1-CG2 4.06Å; L413-T417 WeakPolarHBondContact O-CB 3.33Å; L413-T417 PolarHBondContact O-N 3.35Å; L413-T417 PolarHBondContact O-OG1 2.83Å; L414-T417 PolarHBondContact O-N 3.29Å; T417-Q419 VanDerWaalsContact C-N 3.33Å; T417-Q419 PolarHBondContact O-N 3.15Å; T417-F420 PolarHBondContact O-N 3.22Å; T417-E421 WeakPolarHBondContact O-CB 3.37Å; T417-E421 PolarHBondContact O-N 3.35Å |
| 418 | A | 94.6 | Very high | 93 | Very high | 2 Ų | 2 | 29.4 Ų | 29.4 | 2% | 0.017 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63 | -40.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | L414 L415 F422 A584 K588 | L414-A418 WeakPolarHBondContact O-CB 3.21Å; L414-A418 PolarHBondContact O-N 2.98Å; L415-A418 PolarHBondContact O-N 3.39Å; A418-F422 VanDerWaalsContact O-CB 3.28Å; A418-F422 WeakPolarHBondContact O-CB 3.2Å; A418-F422 PolarHBondContact O-N 2.75Å; A418-A584 HydrophobicContact CB-CB 4.4Å; A418-K588 HydrophobicContact CB-CB 4.24Å; A418-K588 HydrophobicContact CB-CD 3.87Å |
| 419 | Q | 92.6 | Very high | 93 | Very high | 40 Ų | 40 | 27.1 Ų | 27.1 | 19% | 0.187 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64.3 | -44.5 | 175.1 | -174.7 | 64.5 | 25.7 | 0 | 0 | 111.8 | L345 L415 D416 T417 F422 I423 A584 | L345-Q419 HydrophobicContact CD1-CB 4.35Å; L345-Q419 HydrophobicContact CD1-CG 4.47Å; L345-Q419 HydrophobicContact CD2-CB 4.34Å; L345-Q419 HydrophobicContact CD2-CG 3.9Å; L415-Q419 WeakPolarHBondContact O-CB 3.42Å; L415-Q419 PolarHBondContact O-N 2.91Å; D416-Q419 PolarHBondContact O-N 3.47Å; T417-Q419 VanDerWaalsContact C-N 3.33Å; T417-Q419 PolarHBondContact O-N 3.15Å; Q419-F422 PolarHBondContact O-N 3.42Å; Q419-I423 HydrophobicContact CG-CD1 4.03Å; Q419-I423 WeakPolarHBondContact O-CG1 3.23Å; Q419-I423 PolarHBondContact O-N 3.21Å; Q419-A584 HydrophobicContact CB-CB 4.41Å; Q419-A584 VanDerWaalsContact OE1-CB 3.31Å |
| 420 | F | 94.5 | Very high | 93 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.4 | -46.2 | 178.8 | 173.2 | -133.8 | 0 | 0 | 0 | 111.5 | V341 F344 L345 L350 L362 L366 D416 T417 F422 I423 L424 | V341-F420 HydrophobicContact CG1-CB 3.88Å; V341-F420 HydrophobicContact CG1-CD1 4.39Å; V341-F420 HydrophobicContact CG1-CG 4.34Å; V341-F420 HydrophobicContact CG2-CD1 4.2Å; F344-F420 HydrophobicContact CB-CD2 4.28Å; F344-F420 HydrophobicContact CB-CE2 4.1Å; F344-F420 HydrophobicContact CD2-CE1 4.09Å; F344-F420 HydrophobicContact CD2-CE2 4.05Å; F344-F420 AromaticContact CD2-CZ 3.71Å; F344-F420 HydrophobicContact CD2-CZ 3.71Å; F344-F420 HydrophobicContact CE2-CZ 4.31Å; F344-F420 HydrophobicContact CG-CE2 4.4Å; F344-F420 HydrophobicContact CG-CZ 4.48Å; L345-F420 HydrophobicContact CD2-CB 4.01Å; L345-F420 HydrophobicContact CG-CB 4.32Å; L350-F420 HydrophobicContact CD1-CD2 3.93Å; L350-F420 HydrophobicContact CD1-CE2 4.06Å; L350-F420 HydrophobicContact CD2-CE2 4.13Å; L362-F420 HydrophobicContact CB-CZ 4.26Å; L362-F420 HydrophobicContact CD2-CE2 4.11Å; L362-F420 HydrophobicContact CD2-CZ 3.75Å; L366-F420 HydrophobicContact CD2-CD1 3.48Å; L366-F420 VanDerWaalsContact CD2-CD1 3.48Å; L366-F420 HydrophobicContact CD2-CE1 3.65Å; L366-F420 HydrophobicContact CD2-CG 4.41Å; L366-F420 HydrophobicContact CG-CD1 4.07Å; L366-F420 HydrophobicContact CG-CE1 3.68Å; L366-F420 HydrophobicContact CG-CZ 4.47Å; D416-F420 WeakPolarHBondContact O-CB 3.34Å; D416-F420 PolarHBondContact O-N 3.46Å; T417-F420 PolarHBondContact O-N 3.22Å; F420-F422 PolarHBondContact O-N 3.28Å; F420-I423 PolarHBondContact O-N 2.99Å; F420-L424 HydrophobicContact CE2-CD2 4.29Å; F420-L424 HydrophobicContact CZ-CD2 4.18Å; F420-L424 VanDerWaalsContact O-CB 3.31Å; F420-L424 WeakPolarHBondContact O-CB 3.31Å; F420-L424 PolarHBondContact O-N 3.46Å |
| 421 | E | 93.8 | Very high | 92.9 | Very high | 8 Ų | 8 | 27.7 Ų | 27.7 | 4% | 0.037 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.3 | -44.5 | 175.5 | -171.2 | -175.6 | 136 | 0 | 0 | 111.6 | L366 T417 L424 K425 K588 | L366-E421 HydrophobicContact CD2-CB 4.02Å; L366-E421 HydrophobicContact CD2-CG 4.46Å; T417-E421 WeakPolarHBondContact O-CB 3.37Å; T417-E421 PolarHBondContact O-N 3.35Å; E421-L424 PolarHBondContact O-N 3.25Å; E421-K425 HydrophobicContact CG-CD 4.07Å; E421-K425 HydrophobicContact CG-CG 4.45Å; E421-K425 WeakPolarHBondContact O-CB 3.33Å; E421-K425 WeakPolarHBondContact O-CG 3.33Å; E421-K425 PolarHBondContact O-N 3.01Å; E421-K425 VanDerWaalsContact OE1-CE 3.31Å; E421-K425 WeakPolarHBondContact OE1-CE 3.47Å; E421-K425 IonicContact OE1-NZ 3.66Å; E421-K425 PolarHBondContact OE1-NZ 3.19Å; E421-K588 IonicContact OE1-NZ 3.94Å; E421-K588 IonicContact OE2-NZ 3.97Å; E421-K588 PolarHBondContact OE2-NZ 2.63Å |
| 422 | F | 92.4 | Very high | 92.8 | Very high | 48 Ų | 48 | 29.8 Ų | 29.8 | 21% | 0.211 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.2 | -50.8 | 178.6 | 176.3 | -101 | 0 | 0 | 0 | 112.1 | A418 Q419 F420 L424 K425 E426 A584 L587 | A418-F422 VanDerWaalsContact O-CB 3.28Å; A418-F422 WeakPolarHBondContact O-CB 3.2Å; A418-F422 PolarHBondContact O-N 2.75Å; Q419-F422 PolarHBondContact O-N 3.42Å; F420-F422 PolarHBondContact O-N 3.28Å; F422-L424 VanDerWaalsContact C-N 3.31Å; F422-L424 PolarHBondContact O-N 3.38Å; F422-K425 PolarHBondContact O-N 3.12Å; F422-E426 HydrophobicContact CD2-CG 4.31Å; F422-E426 HydrophobicContact CE1-CG 4.19Å; F422-E426 HydrophobicContact CE2-CG 3.84Å; F422-E426 HydrophobicContact CZ-CG 3.77Å; F422-E426 WeakPolarHBondContact O-CG 3.46Å; F422-E426 PolarHBondContact O-N 3.37Å; F422-A584 HydrophobicContact CB-CB 3.95Å; F422-A584 HydrophobicContact CG-CB 4.31Å; F422-L587 HydrophobicContact CD2-CD1 3.75Å; F422-L587 HydrophobicContact CE2-CD1 3.47Å; F422-L587 VanDerWaalsContact CE2-CD1 3.47Å; F422-L587 HydrophobicContact CZ-CD1 4.28Å |
| 423 | I | 92.1 | Very high | 92.7 | Very high | 49 Ų | 49 | 31.6 Ų | 31.6 | 25% | 0.251 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -58.8 | -46.8 | 178.6 | -68.6 | 168.2 | 0 | 0 | 0 | 110.1 | L345 L350 Q419 F420 E426 M427 | L345-I423 HydrophobicContact CD2-CD1 3.83Å; L350-I423 HydrophobicContact CD1-CG2 4.03Å; Q419-I423 HydrophobicContact CG-CD1 4.03Å; Q419-I423 WeakPolarHBondContact O-CG1 3.23Å; Q419-I423 PolarHBondContact O-N 3.21Å; F420-I423 PolarHBondContact O-N 2.99Å; I423-E426 PolarHBondContact O-N 3.09Å; I423-M427 HydrophobicContact CG2-CG 4.39Å; I423-M427 HydrophobicContact CG2-SD 3.92Å; I423-M427 VanDerWaalsContact O-CG 3.3Å; I423-M427 WeakPolarHBondContact O-CG 3.29Å; I423-M427 PolarHBondContact O-N 3.32Å |
| 424 | L | 92.8 | Very high | 92.6 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66 | -43.3 | -176.7 | -166 | 62.3 | 0 | 0 | 0 | 111.8 | V355 L362 L366 F420 E421 F422 E426 M427 F428 M548 | V355-L424 HydrophobicContact CB-CD1 4.42Å; V355-L424 HydrophobicContact CG1-CD1 3.62Å; V355-L424 HydrophobicContact CG2-CD1 3.88Å; L362-L424 HydrophobicContact CB-CD2 4.1Å; L362-L424 HydrophobicContact CD1-CD1 4.02Å; L366-L424 HydrophobicContact CD1-CD2 3.84Å; F420-L424 HydrophobicContact CE2-CD2 4.29Å; F420-L424 HydrophobicContact CZ-CD2 4.18Å; F420-L424 VanDerWaalsContact O-CB 3.31Å; F420-L424 WeakPolarHBondContact O-CB 3.31Å; F420-L424 PolarHBondContact O-N 3.46Å; E421-L424 PolarHBondContact O-N 3.25Å; F422-L424 VanDerWaalsContact C-N 3.31Å; F422-L424 PolarHBondContact O-N 3.38Å; L424-E426 PolarHBondContact O-N 3.4Å; L424-M427 PolarHBondContact O-N 3.11Å; L424-F428 HydrophobicContact CD1-CD2 4.07Å; L424-F428 HydrophobicContact CD1-CE2 3.84Å; L424-F428 HydrophobicContact CG-CD2 4.04Å; L424-F428 HydrophobicContact CG-CE2 4.08Å; L424-F428 WeakPolarHBondContact O-CD2 3.44Å; L424-F428 PolarHBondContact O-N 3.4Å; L424-M548 HydrophobicContact CD2-CE 3.37Å; L424-M548 HydrophobicContact CD2-SD 4.27Å; L424-M548 HydrophobicContact CG-CE 3.63Å; L424-M548 HydrophobicContact CG-SD 4.28Å |
| 425 | K | 92.2 | Very high | 92.3 | Very high | 25 Ų | 25 | 35.7 Ų | 35.7 | 11% | 0.109 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.3 | -45.7 | 175.1 | -79.1 | -179.8 | 174.9 | 177.2 | 0 | 111.6 | E421 F422 F428 K429 L545 M548 Q549 | E421-K425 HydrophobicContact CG-CD 4.07Å; E421-K425 HydrophobicContact CG-CG 4.45Å; E421-K425 WeakPolarHBondContact O-CB 3.33Å; E421-K425 WeakPolarHBondContact O-CG 3.33Å; E421-K425 PolarHBondContact O-N 3.01Å; E421-K425 VanDerWaalsContact OE1-CE 3.31Å; E421-K425 WeakPolarHBondContact OE1-CE 3.47Å; E421-K425 IonicContact OE1-NZ 3.66Å; E421-K425 PolarHBondContact OE1-NZ 3.19Å; F422-K425 PolarHBondContact O-N 3.12Å; K425-F428 PolarHBondContact O-N 2.96Å; K425-K429 WeakPolarHBondContact O-CG 3.46Å; K425-K429 PolarHBondContact O-N 2.91Å; K425-L545 HydrophobicContact CG-CD2 4.5Å; K425-M548 HydrophobicContact CG-CB 4.35Å; K425-M548 HydrophobicContact CG-SD 4.01Å; K425-M548 PolarHBondContact NZ-O 3.08Å; K425-Q549 VanDerWaalsContact NZ-OE1 3.11Å |
| 426 | E | 91.8 | Very high | 92.1 | Very high | 84 Ų | 84 | 40.5 Ų | 40.5 | 39% | 0.393 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -66.3 | -41 | 179.7 | -69 | -64.9 | 107.6 | 0 | 0 | 112.1 | F422 I423 L424 F428 K429 Q430 | F422-E426 HydrophobicContact CD2-CG 4.31Å; F422-E426 HydrophobicContact CE1-CG 4.19Å; F422-E426 HydrophobicContact CE2-CG 3.84Å; F422-E426 HydrophobicContact CZ-CG 3.77Å; F422-E426 WeakPolarHBondContact O-CG 3.46Å; F422-E426 PolarHBondContact O-N 3.37Å; I423-E426 PolarHBondContact O-N 3.09Å; L424-E426 PolarHBondContact O-N 3.4Å; E426-F428 PolarHBondContact O-N 3.19Å; E426-K429 PolarHBondContact O-N 3.11Å; E426-K429 IonicContact OE1-NZ 3.89Å; E426-K429 PolarHBondContact OE1-NZ 2.95Å; E426-Q430 WeakPolarHBondContact O-CB 3.16Å; E426-Q430 PolarHBondContact O-N 3.43Å |
| 427 | M | 91.8 | Very high | 92 | Very high | 36 Ų | 36 | 45.1 Ų | 45.1 | 18% | 0.177 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59 | -46.5 | 173.1 | -71.1 | 178.1 | 74.5 | 0 | 0 | 111.3 | L350 V355 I423 L424 Q430 M431 | L350-M427 HydrophobicContact CB-SD 4.23Å; V355-M427 HydrophobicContact CB-CE 4.43Å; V355-M427 HydrophobicContact CG2-CE 3.68Å; V355-M427 HydrophobicContact CG2-SD 4.16Å; I423-M427 HydrophobicContact CG2-CG 4.39Å; I423-M427 HydrophobicContact CG2-SD 3.92Å; I423-M427 VanDerWaalsContact O-CG 3.3Å; I423-M427 WeakPolarHBondContact O-CG 3.29Å; I423-M427 PolarHBondContact O-N 3.32Å; L424-M427 PolarHBondContact O-N 3.11Å; M427-Q430 PolarHBondContact O-N 3.39Å; M427-M431 HydrophobicContact CB-CE 4.42Å; M427-M431 WeakPolarHBondContact O-CB 3.48Å; M427-M431 VanDerWaalsContact O-CG 3.22Å; M427-M431 WeakPolarHBondContact O-CG 3.5Å; M427-M431 PolarHBondContact O-N 2.85Å |
| 428 | F | 91.7 | Very high | 91.8 | Very high | 1 Ų | 1 | 47 Ų | 47 | 0% | 0.004 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.5 | -39.5 | 179 | -91.4 | -79.8 | 0 | 0 | 0 | 113.5 | V355 I359 L424 K425 E426 M431 L432 I540 V544 L545 M548 | V355-F428 HydrophobicContact CG1-CD2 4.17Å; V355-F428 HydrophobicContact CG1-CE2 3.35Å; V355-F428 HydrophobicContact CG1-CZ 3.68Å; I359-F428 HydrophobicContact CD1-CE1 4.13Å; I359-F428 HydrophobicContact CD1-CZ 3.9Å; I359-F428 HydrophobicContact CG1-CZ 3.98Å; I359-F428 HydrophobicContact CG2-CZ 4.43Å; L424-F428 HydrophobicContact CD1-CD2 4.07Å; L424-F428 HydrophobicContact CD1-CE2 3.84Å; L424-F428 HydrophobicContact CG-CD2 4.04Å; L424-F428 HydrophobicContact CG-CE2 4.08Å; L424-F428 WeakPolarHBondContact O-CD2 3.44Å; L424-F428 PolarHBondContact O-N 3.4Å; K425-F428 PolarHBondContact O-N 2.96Å; E426-F428 PolarHBondContact O-N 3.19Å; F428-M431 HydrophobicContact CB-CE 4.26Å; F428-M431 HydrophobicContact CD1-CE 3.63Å; F428-M431 HydrophobicContact CD2-CE 3.96Å; F428-M431 HydrophobicContact CE1-CE 3.85Å; F428-M431 HydrophobicContact CE2-CE 4.18Å; F428-M431 HydrophobicContact CG-CE 3.68Å; F428-M431 HydrophobicContact CZ-CE 4.12Å; F428-M431 PolarHBondContact O-N 2.93Å; F428-L432 WeakPolarHBondContact O-CB 3.5Å; F428-L432 WeakPolarHBondContact O-CG 3.25Å; F428-L432 PolarHBondContact O-N 3.29Å; F428-I540 HydrophobicContact CD1-CG2 4.22Å; F428-I540 HydrophobicContact CE1-CG2 4.48Å; F428-V544 HydrophobicContact CD1-CG1 4.26Å; F428-V544 HydrophobicContact CD2-CG1 4.46Å; F428-V544 HydrophobicContact CE1-CB 4.43Å; F428-V544 HydrophobicContact CE1-CG1 3.94Å; F428-V544 HydrophobicContact CE2-CG1 4.14Å; F428-V544 HydrophobicContact CZ-CG1 3.88Å; F428-L545 HydrophobicContact CB-CD2 3.67Å; F428-L545 HydrophobicContact CB-CG 4.27Å; F428-M548 HydrophobicContact CD2-CE 3.86Å; F428-M548 HydrophobicContact CE2-CE 3.82Å |
| 429 | K | 92.1 | Very high | 91.6 | Very high | 108 Ų | 108 | 47.1 Ų | 47.1 | 47% | 0.47 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61.3 | -45.8 | 174.1 | -74.6 | 174.4 | -174.1 | 171.2 | 0 | 111.5 | K425 E426 L432 S433 L545 | K425-K429 WeakPolarHBondContact O-CG 3.46Å; K425-K429 PolarHBondContact O-N 2.91Å; E426-K429 PolarHBondContact O-N 3.11Å; E426-K429 IonicContact OE1-NZ 3.89Å; E426-K429 PolarHBondContact OE1-NZ 2.95Å; K429-L432 PolarHBondContact O-N 3.2Å; K429-S433 WeakPolarHBondContact O-CB 3.18Å; K429-S433 PolarHBondContact O-N 3.22Å; K429-S433 PolarHBondContact O-OG 3.33Å; K429-L545 HydrophobicContact CG-CD1 4.05Å |
| 430 | Q | 91.9 | Very high | 91.5 | Very high | 109 Ų | 109 | 49.8 Ų | 49.8 | 51% | 0.509 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.9 | -50.2 | 176.7 | -175.2 | 177.4 | 1.5 | 0 | 0 | 110.7 | E426 M427 L432 S433 E434 | E426-Q430 WeakPolarHBondContact O-CB 3.16Å; E426-Q430 PolarHBondContact O-N 3.43Å; M427-Q430 PolarHBondContact O-N 3.39Å; Q430-L432 VanDerWaalsContact C-N 3.3Å; Q430-L432 PolarHBondContact O-N 3.31Å; Q430-S433 PolarHBondContact O-N 3.3Å; Q430-S433 VanDerWaalsContact O-N 3.14Å; Q430-S433 PolarHBondContact O-OG 3.09Å; Q430-E434 HydrophobicContact CG-CG 4.46Å; Q430-E434 VanDerWaalsContact CG-OE1 3.31Å; Q430-E434 WeakPolarHBondContact CG-OE1 3.44Å; Q430-E434 PolarHBondContact NE2-OE1 3.43Å; Q430-E434 WeakPolarHBondContact O-CG 3.26Å; Q430-E434 PolarHBondContact O-N 3.3Å |
| 431 | M | 90.4 | Very high | 91.4 | Very high | 4 Ų | 4 | 54.2 Ų | 54.2 | 2% | 0.02 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -57.3 | -39.7 | 177.4 | -75.9 | -171.3 | -64.9 | 0 | 0 | 112.9 | E352 V355 L356 M427 F428 K435 I540 | E352-M431 HydrophobicContact CG-CG 3.88Å; E352-M431 HydrophobicContact CG-SD 3.48Å; E352-M431 WeakPolarHBondContact CG-SD 3.21Å; V355-M431 HydrophobicContact CG1-CE 4.05Å; L356-M431 HydrophobicContact CD1-SD 4.1Å; L356-M431 HydrophobicContact CD2-CE 4.15Å; L356-M431 HydrophobicContact CD2-SD 3.74Å; L356-M431 HydrophobicContact CG-SD 3.91Å; M427-M431 HydrophobicContact CB-CE 4.42Å; M427-M431 WeakPolarHBondContact O-CB 3.48Å; M427-M431 VanDerWaalsContact O-CG 3.22Å; M427-M431 WeakPolarHBondContact O-CG 3.5Å; M427-M431 PolarHBondContact O-N 2.85Å; F428-M431 HydrophobicContact CB-CE 4.26Å; F428-M431 HydrophobicContact CD1-CE 3.63Å; F428-M431 HydrophobicContact CD2-CE 3.96Å; F428-M431 HydrophobicContact CE1-CE 3.85Å; F428-M431 HydrophobicContact CE2-CE 4.18Å; F428-M431 HydrophobicContact CG-CE 3.68Å; F428-M431 HydrophobicContact CZ-CE 4.12Å; F428-M431 PolarHBondContact O-N 2.93Å; M431-K435 WeakPolarHBondContact O-CA 3.38Å; M431-K435 WeakPolarHBondContact O-CB 3.49Å; M431-K435 PolarHBondContact O-N 3.09Å; M431-I540 HydrophobicContact CB-CD1 3.9Å; M431-I540 HydrophobicContact SD-CD1 4.49Å |
| 432 | L | 89.6 | Confident | 91.3 | Very high | 48 Ų | 48 | 56 Ų | 56 | 25% | 0.251 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -67.3 | -43.2 | 175.5 | -81.4 | 165.4 | 0 | 0 | 0 | 112.1 | F428 K429 Q430 E434 K435 I540 L545 | F428-L432 WeakPolarHBondContact O-CB 3.5Å; F428-L432 WeakPolarHBondContact O-CG 3.25Å; F428-L432 PolarHBondContact O-N 3.29Å; K429-L432 PolarHBondContact O-N 3.2Å; Q430-L432 VanDerWaalsContact C-N 3.3Å; Q430-L432 PolarHBondContact O-N 3.31Å; L432-E434 VanDerWaalsContact C-N 3.3Å; L432-E434 PolarHBondContact O-N 3.29Å; L432-K435 VanDerWaalsContact O-CB 3.24Å; L432-K435 WeakPolarHBondContact O-CB 3.3Å; L432-K435 PolarHBondContact O-N 2.65Å; L432-I540 HydrophobicContact CD2-CG2 3.6Å; L432-I540 HydrophobicContact CG-CG2 3.71Å; L432-L545 HydrophobicContact CD1-CD1 3.4Å; L432-L545 VanDerWaalsContact CD1-CD1 3.4Å; L432-L545 HydrophobicContact CD1-CG 4.07Å |
| 433 | S | 91.3 | Very high | 91.3 | Very high | 93 Ų | 93 | 55.7 Ų | 55.7 | 65% | 0.65 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -66.1 | -32.6 | 179.4 | 71.3 | 0 | 0 | 0 | 0 | 113 | K429 Q430 | K429-S433 WeakPolarHBondContact O-CB 3.18Å; K429-S433 PolarHBondContact O-N 3.22Å; K429-S433 PolarHBondContact O-OG 3.33Å; Q430-S433 PolarHBondContact O-N 3.3Å; Q430-S433 VanDerWaalsContact O-N 3.14Å; Q430-S433 PolarHBondContact O-OG 3.09Å |
| 434 | E | 91.1 | Very high | 91.3 | Very high | 59 Ų | 59 | 58.9 Ų | 58.9 | 28% | 0.276 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -2.5 | 179.9 | -65.3 | 172.6 | -176.1 | 0 | 0 | 112.8 | Q430 L432 Q436 T437 K438 | Q430-E434 HydrophobicContact CG-CG 4.46Å; Q430-E434 VanDerWaalsContact CG-OE1 3.31Å; Q430-E434 WeakPolarHBondContact CG-OE1 3.44Å; Q430-E434 PolarHBondContact NE2-OE1 3.43Å; Q430-E434 WeakPolarHBondContact O-CG 3.26Å; Q430-E434 PolarHBondContact O-N 3.3Å; L432-E434 VanDerWaalsContact C-N 3.3Å; L432-E434 PolarHBondContact O-N 3.29Å; E434-Q436 PolarHBondContact O-N 2.83Å; E434-T437 PolarHBondContact O-N 2.8Å; E434-K438 HydrophobicContact CB-CD 4.09Å; E434-K438 HydrophobicContact CB-CG 4.29Å; E434-K438 WeakPolarHBondContact O-CB 3.2Å; E434-K438 PolarHBondContact O-N 3.07Å; E434-K438 WeakPolarHBondContact OE2-CE 3.31Å; E434-K438 IonicContact OE2-NZ 3.46Å; E434-K438 PolarHBondContact OE2-NZ 3.48Å |
| 435 | K | 89.1 | Confident | 91.3 | Very high | 31 Ų | 31 | 61 Ų | 61 | 14% | 0.135 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -53.9 | -52.8 | -168.3 | -176.5 | 179.8 | 172.9 | 174.3 | 0 | 112.8 | M431 L432 W439 Y488 T537 I538 I540 | M431-K435 WeakPolarHBondContact O-CA 3.38Å; M431-K435 WeakPolarHBondContact O-CB 3.49Å; M431-K435 PolarHBondContact O-N 3.09Å; L432-K435 VanDerWaalsContact O-CB 3.24Å; L432-K435 WeakPolarHBondContact O-CB 3.3Å; L432-K435 PolarHBondContact O-N 2.65Å; K435-W439 VanDerWaalsContact O-CB 3.31Å; K435-W439 WeakPolarHBondContact O-CB 3.49Å; K435-W439 PolarHBondContact O-N 3.36Å; K435-W439 VanDerWaalsContact O-N 3.11Å; K435-Y488 WeakPolarHBondContact CD-OH 3.39Å; K435-Y488 WeakPolarHBondContact CE-OH 3.23Å; K435-Y488 HydrophobicContact CG-CE2 4.29Å; K435-T537 VanDerWaalsContact CE-O 3.22Å; K435-T537 WeakPolarHBondContact CE-O 3.34Å; K435-T537 HydrophobicContact CG-CG2 3.92Å; K435-T537 VanDerWaalsContact O-CG2 3.23Å; K435-T537 WeakPolarHBondContact O-CG2 3.09Å; K435-I538 WeakPolarHBondContact CE-O 3.42Å; K435-I538 PolarHBondContact NZ-O 3.01Å; K435-I540 HydrophobicContact CD-CB 4.34Å; K435-I540 PolarHBondContact NZ-O 3.41Å |
| 436 | Q | 89.8 | Confident | 91.2 | Very high | 100 Ų | 100 | 59.8 Ų | 59.8 | 47% | 0.467 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -66.7 | -48.1 | -177.6 | -176.1 | 174.3 | -8.4 | 0 | 0 | 111.1 | E434 K438 W439 E440 Y488 | E434-Q436 PolarHBondContact O-N 2.83Å; Q436-K438 PolarHBondContact O-N 2.68Å; Q436-W439 PolarHBondContact O-N 2.88Å; Q436-E440 WeakPolarHBondContact CG-OE1 3.42Å; Q436-E440 PolarHBondContact NE2-OE1 3.24Å; Q436-E440 WeakPolarHBondContact O-CG 3.2Å; Q436-E440 PolarHBondContact O-N 3.21Å; Q436-Y488 HydrophobicContact CB-CE1 4.38Å; Q436-Y488 HydrophobicContact CB-CE2 4.4Å; Q436-Y488 HydrophobicContact CG-CD1 4.43Å; Q436-Y488 HydrophobicContact CG-CE1 4.34Å |
| 437 | T | 92.4 | Very high | 91.1 | Very high | 101 Ų | 101 | 56.1 Ų | 56.1 | 62% | 0.62 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -60 | -45.2 | -178.8 | -45.8 | 0 | 0 | 0 | 0 | 112.3 | E434 H441 | E434-T437 PolarHBondContact O-N 2.8Å; T437-H441 WeakPolarHBondContact O-CB 3.22Å; T437-H441 PolarHBondContact O-N 2.79Å |
| 438 | K | 89.4 | Confident | 91.1 | Very high | 39 Ų | 39 | 58 Ų | 58 | 17% | 0.17 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65 | -41.9 | 176.9 | -81 | 179.4 | 166.9 | 167.2 | 0 | 111.7 | E352 E434 Q436 H441 Y442 T537 | E352-K438 VanDerWaalsContact CD-NZ 3.27Å; E352-K438 IonicContact OE1-NZ 3.68Å; E352-K438 PolarHBondContact OE1-NZ 3.1Å; E352-K438 IonicContact OE2-NZ 2.68Å; E352-K438 PolarHBondContact OE2-NZ 3.43Å; E434-K438 HydrophobicContact CB-CD 4.09Å; E434-K438 HydrophobicContact CB-CG 4.29Å; E434-K438 WeakPolarHBondContact O-CB 3.2Å; E434-K438 PolarHBondContact O-N 3.07Å; E434-K438 WeakPolarHBondContact OE2-CE 3.31Å; E434-K438 IonicContact OE2-NZ 3.46Å; E434-K438 PolarHBondContact OE2-NZ 3.48Å; Q436-K438 PolarHBondContact O-N 2.68Å; K438-H441 PolarHBondContact O-N 2.74Å; K438-Y442 HydrophobicContact CB-CE2 4.11Å; K438-Y442 WeakPolarHBondContact O-CD2 3.23Å; K438-Y442 PolarHBondContact O-N 3.21Å; K438-T537 HydrophobicContact CB-CG2 4.31Å |
| 439 | W | 91.1 | Very high | 90.9 | Very high | 5 Ų | 5 | 61.4 Ų | 61.4 | 2% | 0.019 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.6 | -44.3 | 179.5 | -170.6 | 90.8 | 0 | 0 | 0 | 112 | K435 Q436 Y442 K443 L486 Y488 A494 M534 T537 I538 | K435-W439 VanDerWaalsContact O-CB 3.31Å; K435-W439 WeakPolarHBondContact O-CB 3.49Å; K435-W439 PolarHBondContact O-N 3.36Å; K435-W439 VanDerWaalsContact O-N 3.11Å; Q436-W439 PolarHBondContact O-N 2.88Å; W439-Y442 PolarHBondContact O-N 3.14Å; W439-K443 HydrophobicContact CE3-CD 4.37Å; W439-K443 HydrophobicContact CH2-CD 3.89Å; W439-K443 HydrophobicContact CZ3-CD 3.63Å; W439-K443 WeakPolarHBondContact O-CB 3.36Å; W439-K443 PolarHBondContact O-N 2.95Å; W439-L486 HydrophobicContact CH2-CB 3.88Å; W439-L486 WeakPolarHBondContact CH2-O 3.15Å; W439-L486 HydrophobicContact CZ2-CB 4.06Å; W439-Y488 HydrophobicContact CB-CD2 4.23Å; W439-Y488 HydrophobicContact CB-CE2 4.38Å; W439-Y488 AromaticContact CD2-CD2 3.86Å; W439-Y488 HydrophobicContact CD2-CD2 3.86Å; W439-Y488 AromaticContact CE3-CD2 3.92Å; W439-Y488 HydrophobicContact CE3-CD2 3.92Å; W439-Y488 HydrophobicContact CE3-CG 4.38Å; W439-Y488 HydrophobicContact CG-CD2 4Å; W439-Y488 HydrophobicContact CG-CE2 4.47Å; W439-A494 HydrophobicContact CZ2-CB 4.45Å; W439-M534 HydrophobicContact CD2-CE 4.09Å; W439-M534 VanDerWaalsContact CE2-CE 3.47Å; W439-M534 HydrophobicContact CH2-CE 4.1Å; W439-M534 HydrophobicContact CZ2-CE 3.48Å; W439-M534 VanDerWaalsContact CZ2-CE 3.48Å; W439-T537 HydrophobicContact CB-CG2 4.08Å; W439-I538 HydrophobicContact CZ2-CD1 4.33Å |
| 440 | E | 91.1 | Very high | 90.7 | Very high | 97 Ų | 97 | 56.2 Ų | 56.2 | 45% | 0.453 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.8 | -39.2 | 175.2 | -71.9 | 177.9 | -168.4 | 0 | 0 | 112.2 | Q436 K443 K444 | Q436-E440 WeakPolarHBondContact CG-OE1 3.42Å; Q436-E440 PolarHBondContact NE2-OE1 3.24Å; Q436-E440 WeakPolarHBondContact O-CG 3.2Å; Q436-E440 PolarHBondContact O-N 3.21Å; E440-K443 WeakPolarHBondContact O-CB 3.49Å; E440-K443 PolarHBondContact O-N 3.38Å; E440-K444 WeakPolarHBondContact O-CB 3.33Å; E440-K444 PolarHBondContact O-N 3.05Å |
| 441 | H | 92.5 | Very high | 90.5 | Very high | 93 Ų | 93 | 53.6 Ų | 53.6 | 43% | 0.431 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.5 | -49.2 | 175.6 | 176.4 | 61.3 | 0 | 0 | 0 | 112.1 | T437 K438 K443 K444 E445 | T437-H441 WeakPolarHBondContact O-CB 3.22Å; T437-H441 PolarHBondContact O-N 2.79Å; K438-H441 PolarHBondContact O-N 2.74Å; H441-K443 VanDerWaalsContact C-N 3.32Å; H441-K443 PolarHBondContact O-N 3.16Å; H441-K444 PolarHBondContact O-N 3.25Å; H441-E445 IonicContact CE1-OE1 2.68Å; H441-E445 PolarHBondContact O-N 3.45Å |
| 442 | Y | 91.4 | Very high | 90.2 | Very high | 46 Ų | 46 | 56.6 Ų | 56.6 | 18% | 0.18 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66 | -34.8 | 177.8 | -63 | -42.2 | 0 | 0 | 0 | 112.8 | K438 W439 K444 G446 F530 Q533 | K438-Y442 HydrophobicContact CB-CE2 4.11Å; K438-Y442 WeakPolarHBondContact O-CD2 3.23Å; K438-Y442 PolarHBondContact O-N 3.21Å; W439-Y442 PolarHBondContact O-N 3.14Å; Y442-K444 VanDerWaalsContact C-N 3.34Å; Y442-G446 PolarHBondContact O-N 2.7Å; Y442-F530 AromaticContact CD1-CD1 3.7Å; Y442-F530 HydrophobicContact CD1-CD1 3.7Å; Y442-F530 HydrophobicContact CD1-CE1 4.26Å; Y442-F530 HydrophobicContact CE1-CD1 4.34Å; Y442-Q533 HydrophobicContact CD2-CB 3.72Å; Y442-Q533 HydrophobicContact CE2-CB 3.68Å; Y442-Q533 HydrophobicContact CG-CB 4.18Å |
| 443 | K | 91.7 | Very high | 89.9 | Confident | 40 Ų | 40 | 54.5 Ų | 54.5 | 17% | 0.174 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.6 | -45 | 172.7 | -177.9 | -179.1 | 168.7 | -175.1 | 0 | 111.5 | W439 E440 H441 S447 I483 L484 L486 M534 | W439-K443 HydrophobicContact CE3-CD 4.37Å; W439-K443 HydrophobicContact CH2-CD 3.89Å; W439-K443 HydrophobicContact CZ3-CD 3.63Å; W439-K443 WeakPolarHBondContact O-CB 3.36Å; W439-K443 PolarHBondContact O-N 2.95Å; E440-K443 WeakPolarHBondContact O-CB 3.49Å; E440-K443 PolarHBondContact O-N 3.38Å; H441-K443 VanDerWaalsContact C-N 3.32Å; H441-K443 PolarHBondContact O-N 3.16Å; K443-S447 WeakPolarHBondContact O-CB 3.46Å; K443-S447 PolarHBondContact O-N 2.97Å; K443-S447 VanDerWaalsContact O-N 3.09Å; K443-I483 VanDerWaalsContact CE-O 3.24Å; K443-I483 WeakPolarHBondContact CE-O 3.25Å; K443-I483 HydrophobicContact CG-CG2 4.18Å; K443-I483 WeakPolarHBondContact O-CG2 3.36Å; K443-L484 VanDerWaalsContact CE-C 3.44Å; K443-L484 VanDerWaalsContact CE-CA 3.48Å; K443-L484 WeakPolarHBondContact CE-O 3.39Å; K443-L484 PolarHBondContact NZ-O 3.05Å; K443-L486 WeakPolarHBondContact CE-O 3.36Å; K443-L486 PolarHBondContact NZ-O 3.44Å; K443-M534 VanDerWaalsContact CA-SD 3.58Å; K443-M534 HydrophobicContact CB-CE 3.62Å; K443-M534 HydrophobicContact CB-SD 3.98Å; K443-M534 HydrophobicContact CD-CE 4.47Å; K443-M534 HydrophobicContact CG-CE 4Å |
| 444 | K | 92.6 | Very high | 89.6 | Confident | 117 Ų | 117 | 50 Ų | 50 | 51% | 0.509 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -64.2 | -54.1 | 178 | -177.4 | -177.7 | 172.1 | -174.4 | 0 | 111.2 | E440 H441 Y442 G446 S447 E448 | E440-K444 WeakPolarHBondContact O-CB 3.33Å; E440-K444 PolarHBondContact O-N 3.05Å; H441-K444 PolarHBondContact O-N 3.25Å; Y442-K444 VanDerWaalsContact C-N 3.34Å; K444-G446 VanDerWaalsContact C-N 3.35Å; K444-G446 PolarHBondContact O-N 3.15Å; K444-S447 PolarHBondContact O-N 3.33Å; K444-E448 WeakPolarHBondContact CE-OE1 3.46Å; K444-E448 HydrophobicContact CG-CG 4.39Å; K444-E448 IonicContact NZ-OE1 2.7Å; K444-E448 WeakPolarHBondContact O-CB 3.34Å; K444-E448 WeakPolarHBondContact O-CG 3.46Å; K444-E448 PolarHBondContact O-N 3Å |
| 445 | E | 91.8 | Very high | 89.1 | Confident | 45 Ų | 45 | 49.5 Ų | 49.5 | 21% | 0.21 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.8 | -45 | 179.2 | -72 | -70.5 | 140.5 | 0 | 0 | 111.6 | H441 S447 E448 R449 F530 | H441-E445 IonicContact CE1-OE1 2.68Å; H441-E445 PolarHBondContact O-N 3.45Å; E445-S447 VanDerWaalsContact C-N 3.34Å; E445-S447 PolarHBondContact O-N 3.34Å; E445-E448 PolarHBondContact O-N 3.45Å; E445-R449 WeakPolarHBondContact O-CB 3.32Å; E445-R449 WeakPolarHBondContact O-CG 3.45Å; E445-R449 PolarHBondContact O-N 3.02Å; E445-F530 HydrophobicContact CB-CD1 4.41Å; E445-F530 HydrophobicContact CB-CD2 3.94Å; E445-F530 HydrophobicContact CB-CE1 4.23Å; E445-F530 HydrophobicContact CB-CE2 3.75Å; E445-F530 HydrophobicContact CB-CG 4.28Å; E445-F530 HydrophobicContact CB-CZ 3.9Å; E445-F530 HydrophobicContact CG-CZ 4.4Å |
| 446 | G | 89.9 | Confident | 88.7 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.5 | -40 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y442 K444 M450 | Y442-G446 PolarHBondContact O-N 2.7Å; K444-G446 VanDerWaalsContact C-N 3.35Å; K444-G446 PolarHBondContact O-N 3.15Å; G446-M450 VanDerWaalsContact O-CG 3.28Å; G446-M450 WeakPolarHBondContact O-CG 3.44Å; G446-M450 PolarHBondContact O-N 3.15Å |
| 447 | S | 91.3 | Very high | 88.1 | Confident | 6 Ų | 6 | 44.7 Ų | 44.7 | 4% | 0.042 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -71 | -41 | 175.5 | 170.3 | 0 | 0 | 0 | 0 | 112.7 | K443 K444 E445 M450 T451 S480 L484 | K443-S447 WeakPolarHBondContact O-CB 3.46Å; K443-S447 PolarHBondContact O-N 2.97Å; K443-S447 VanDerWaalsContact O-N 3.09Å; K444-S447 PolarHBondContact O-N 3.33Å; E445-S447 VanDerWaalsContact C-N 3.34Å; E445-S447 PolarHBondContact O-N 3.34Å; S447-M450 PolarHBondContact O-N 3.06Å; S447-T451 PolarHBondContact O-N 2.91Å; S447-T451 PolarHBondContact O-OG1 3.13Å; S447-S480 PolarHBondContact O-OG 2.99Å; S447-S480 PolarHBondContact OG-OG 3.49Å; S447-L484 WeakPolarHBondContact OG-CD1 3.16Å; S447-L484 VanDerWaalsContact OG-CG 3.22Å; S447-L484 WeakPolarHBondContact OG-CG 3.37Å |
| 448 | E | 90.5 | Very high | 87.4 | Confident | 77 Ų | 77 | 40.6 Ų | 40.6 | 36% | 0.36 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -64.5 | -42.1 | 178.8 | -74.6 | 176.9 | 170.4 | 0 | 0 | 111 | K444 E445 M450 T451 E452 | K444-E448 WeakPolarHBondContact CE-OE1 3.46Å; K444-E448 HydrophobicContact CG-CG 4.39Å; K444-E448 IonicContact NZ-OE1 2.7Å; K444-E448 WeakPolarHBondContact O-CB 3.34Å; K444-E448 WeakPolarHBondContact O-CG 3.46Å; K444-E448 PolarHBondContact O-N 3Å; E445-E448 PolarHBondContact O-N 3.45Å; E448-M450 VanDerWaalsContact C-N 3.33Å; E448-M450 PolarHBondContact O-N 2.81Å; E448-T451 WeakPolarHBondContact O-CB 3.19Å; E448-T451 PolarHBondContact O-N 3.18Å; E448-E452 WeakPolarHBondContact O-CG 3.28Å; E448-E452 PolarHBondContact O-N 2.91Å |
| 449 | R | 87.6 | Confident | 86.2 | Confident | 71 Ų | 71 | 41.1 Ų | 41.1 | 27% | 0.268 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -61.1 | -38.5 | 174.4 | -66.7 | -64.2 | 169.4 | -173.1 | -2.9 | 113 | E445 E452 L453 F523 T527 F530 | E445-R449 WeakPolarHBondContact O-CB 3.32Å; E445-R449 WeakPolarHBondContact O-CG 3.45Å; E445-R449 PolarHBondContact O-N 3.02Å; R449-E452 IonicContact NH1-OE2 3.46Å; R449-L453 WeakPolarHBondContact O-CB 3.32Å; R449-L453 PolarHBondContact O-N 3.02Å; R449-F523 HydrophobicContact CB-CD1 4.04Å; R449-F523 VanDerWaalsContact CD-CD1 3.41Å; R449-F523 HydrophobicContact CG-CD1 4.27Å; R449-F523 VanDerWaalsContact NH1-CE1 3.26Å; R449-T527 WeakPolarHBondContact CB-OG1 3.28Å; R449-F530 HydrophobicContact CG-CE2 4.14Å |
| 450 | M | 88.9 | Confident | 84.9 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -69.1 | -38.6 | 174.7 | -70.8 | -68.7 | 104.8 | 0 | 0 | 112.3 | G446 S447 E448 L453 A454 F476 I479 I483 L505 L524 T527 | G446-M450 VanDerWaalsContact O-CG 3.28Å; G446-M450 WeakPolarHBondContact O-CG 3.44Å; G446-M450 PolarHBondContact O-N 3.15Å; S447-M450 PolarHBondContact O-N 3.06Å; E448-M450 VanDerWaalsContact C-N 3.33Å; E448-M450 PolarHBondContact O-N 2.81Å; M450-L453 HydrophobicContact CE-CD1 3.41Å; M450-L453 VanDerWaalsContact CE-CD1 3.41Å; M450-L453 PolarHBondContact O-N 3.22Å; M450-A454 PolarHBondContact O-N 3.3Å; M450-F476 HydrophobicContact CE-CD1 4.42Å; M450-F476 HydrophobicContact SD-CD1 3.73Å; M450-F476 HydrophobicContact SD-CE1 4.27Å; M450-I479 HydrophobicContact CG-CG2 4.01Å; M450-I479 HydrophobicContact SD-CB 4.48Å; M450-I479 HydrophobicContact SD-CG2 3.8Å; M450-I483 HydrophobicContact CG-CD1 3.84Å; M450-L505 HydrophobicContact CE-CD2 4.02Å; M450-L505 HydrophobicContact SD-CD2 3.7Å; M450-L524 HydrophobicContact CE-CD2 4.07Å; M450-T527 HydrophobicContact CE-CG2 3.62Å; M450-T527 WeakPolarHBondContact CE-OG1 3.34Å; M450-T527 HydrophobicContact CG-CG2 3.79Å; M450-T527 HydrophobicContact SD-CG2 4.12Å |
| 451 | T | 86.9 | Confident | 83.5 | Confident | 53 Ų | 53 | 46 Ų | 46 | 33% | 0.325 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -65 | -43.3 | 174.5 | -51.4 | 0 | 0 | 0 | 0 | 111.1 | S447 E448 L453 A454 D455 S480 | S447-T451 PolarHBondContact O-N 2.91Å; S447-T451 PolarHBondContact O-OG1 3.13Å; E448-T451 WeakPolarHBondContact O-CB 3.19Å; E448-T451 PolarHBondContact O-N 3.18Å; T451-L453 PolarHBondContact O-N 3.15Å; T451-A454 WeakPolarHBondContact O-CB 3.4Å; T451-A454 PolarHBondContact O-N 3.5Å; T451-D455 PolarHBondContact O-N 2.67Å; T451-S480 PolarHBondContact OG1-OG 3.48Å |
| 452 | E | 84.4 | Confident | 81.5 | Confident | 68 Ų | 68 | 47.6 Ų | 47.6 | 32% | 0.318 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.3 | -40.3 | 176.3 | -75.8 | -177.7 | -174.5 | 0 | 0 | 112.4 | E448 R449 D455 V456 F523 | E448-E452 WeakPolarHBondContact O-CG 3.28Å; E448-E452 PolarHBondContact O-N 2.91Å; R449-E452 IonicContact NH1-OE2 3.46Å; E452-D455 PolarHBondContact O-N 2.86Å; E452-V456 WeakPolarHBondContact O-CG2 3.46Å; E452-V456 PolarHBondContact O-N 3.28Å; E452-F523 HydrophobicContact CB-CE1 4.22Å; E452-F523 WeakPolarHBondContact OE2-CE1 3.37Å |
| 453 | L | 83.4 | Confident | 79.6 | Confident | 3 Ų | 3 | 53.7 Ų | 53.7 | 2% | 0.016 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.3 | -43.9 | 172.6 | -88 | 171 | 0 | 0 | 0 | 111.8 | R449 M450 T451 D455 V456 F457 F476 V520 F523 L524 | R449-L453 WeakPolarHBondContact O-CB 3.32Å; R449-L453 PolarHBondContact O-N 3.02Å; M450-L453 HydrophobicContact CE-CD1 3.41Å; M450-L453 VanDerWaalsContact CE-CD1 3.41Å; M450-L453 PolarHBondContact O-N 3.22Å; T451-L453 PolarHBondContact O-N 3.15Å; L453-D455 PolarHBondContact O-N 3.48Å; L453-V456 WeakPolarHBondContact O-CB 3.49Å; L453-V456 PolarHBondContact O-N 2.88Å; L453-V456 VanDerWaalsContact O-N 3.13Å; L453-F457 HydrophobicContact CD2-CE2 4.37Å; L453-F457 VanDerWaalsContact O-CD2 3.28Å; L453-F457 WeakPolarHBondContact O-CD2 3.21Å; L453-F457 PolarHBondContact O-N 3.42Å; L453-F457 VanDerWaalsContact O-N 3.17Å; L453-F476 HydrophobicContact CB-CD1 4.47Å; L453-F476 HydrophobicContact CB-CD2 4.33Å; L453-F476 HydrophobicContact CB-CG 4.26Å; L453-F476 HydrophobicContact CD1-CE1 4.28Å; L453-V520 HydrophobicContact CD2-CB 4.22Å; L453-V520 HydrophobicContact CD2-CG1 3.92Å; L453-V520 HydrophobicContact CD2-CG2 4.02Å; L453-F523 HydrophobicContact CD1-CB 3.54Å; L453-F523 HydrophobicContact CD1-CG 4.45Å; L453-F523 HydrophobicContact CD2-CB 3.93Å; L453-F523 HydrophobicContact CD2-CG 4.38Å; L453-F523 HydrophobicContact CG-CB 3.71Å; L453-F523 HydrophobicContact CG-CD1 4.35Å; L453-F523 HydrophobicContact CG-CG 4.15Å; L453-L524 HydrophobicContact CD1-CD2 4.09Å; L453-L524 HydrophobicContact CD1-CG 4.31Å |
| 454 | A | 83.7 | Confident | 78 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58.7 | -38.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | M450 T451 F457 S458 Q473 F476 R477 | M450-A454 PolarHBondContact O-N 3.3Å; T451-A454 WeakPolarHBondContact O-CB 3.4Å; T451-A454 PolarHBondContact O-N 3.5Å; A454-F457 PolarHBondContact O-N 3.21Å; A454-S458 PolarHBondContact O-N 2.98Å; A454-S458 VanDerWaalsContact O-N 3.13Å; A454-Q473 HydrophobicContact CB-CG 4.43Å; A454-Q473 WeakPolarHBondContact O-CG 3.49Å; A454-F476 HydrophobicContact CB-CB 3.83Å; A454-R477 HydrophobicContact CB-CG 3.65Å |
| 455 | D | 82.1 | Confident | 76.5 | Confident | 47 Ų | 47 | 60 Ų | 60 | 25% | 0.251 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -70.6 | -31.2 | 177.5 | -70 | -17.5 | 0 | 0 | 0 | 112.5 | T451 E452 L453 S458 K461 R477 | T451-D455 PolarHBondContact O-N 2.67Å; E452-D455 PolarHBondContact O-N 2.86Å; L453-D455 PolarHBondContact O-N 3.48Å; D455-S458 WeakPolarHBondContact O-CB 3.1Å; D455-S458 PolarHBondContact O-N 3.45Å; D455-S458 PolarHBondContact O-OG 2.86Å; D455-K461 HydrophobicContact CB-CD 4.45Å; D455-R477 IonicContact OD1-NH2 3.47Å |
| 456 | V | 79.8 | Confident | 75.4 | Confident | 21 Ų | 21 | 59.3 Ų | 59.3 | 13% | 0.127 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.7 | -44.5 | 173.2 | 170.2 | 0 | 0 | 0 | 0 | 110.8 | E452 L453 S458 K461 V466 | E452-V456 WeakPolarHBondContact O-CG2 3.46Å; E452-V456 PolarHBondContact O-N 3.28Å; L453-V456 WeakPolarHBondContact O-CB 3.49Å; L453-V456 PolarHBondContact O-N 2.88Å; L453-V456 VanDerWaalsContact O-N 3.13Å; V456-S458 VanDerWaalsContact C-N 3.27Å; V456-S458 PolarHBondContact O-N 3.02Å; V456-K461 HydrophobicContact CG2-CD 4.41Å; V456-V466 HydrophobicContact CG1-CB 4.04Å; V456-V466 HydrophobicContact CG1-CG1 4.22Å; V456-V466 HydrophobicContact CG1-CG2 3.92Å |
| 457 | F | 77.6 | Confident | 74.3 | Confident | 10 Ų | 10 | 67.7 Ų | 67.7 | 4% | 0.044 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -76.5 | -9 | 177.7 | -72.5 | -75.9 | 0 | 0 | 0 | 114.3 | L453 A454 G459 V466 K468 N469 L472 Q473 F476 L514 V520 | L453-F457 HydrophobicContact CD2-CE2 4.37Å; L453-F457 VanDerWaalsContact O-CD2 3.28Å; L453-F457 WeakPolarHBondContact O-CD2 3.21Å; L453-F457 PolarHBondContact O-N 3.42Å; L453-F457 VanDerWaalsContact O-N 3.17Å; A454-F457 PolarHBondContact O-N 3.21Å; F457-G459 VanDerWaalsContact C-N 3.31Å; F457-V466 HydrophobicContact CD1-CG1 3.6Å; F457-V466 HydrophobicContact CE1-CG1 3.36Å; F457-V466 HydrophobicContact CG-CG1 4.43Å; F457-V466 HydrophobicContact CZ-CG1 4.02Å; F457-K468 WeakPolarHBondContact O-CA 3.24Å; F457-K468 WeakPolarHBondContact O-CG 2.98Å; F457-N469 HydrophobicContact CD1-CB 4.08Å; F457-N469 PolarHBondContact O-N 3.33Å; F457-L472 HydrophobicContact CD1-CB 4.4Å; F457-L472 HydrophobicContact CD1-CD1 4.16Å; F457-L472 HydrophobicContact CD2-CB 4.5Å; F457-L472 HydrophobicContact CE1-CD1 3.86Å; F457-L472 HydrophobicContact CG-CB 4.24Å; F457-L472 HydrophobicContact CZ-CD1 4.19Å; F457-Q473 HydrophobicContact CB-CB 4.35Å; F457-F476 AromaticContact CD2-CD2 3.92Å; F457-F476 HydrophobicContact CD2-CD2 3.92Å; F457-F476 AromaticContact CD2-CE2 3.71Å; F457-F476 HydrophobicContact CD2-CE2 3.71Å; F457-F476 HydrophobicContact CE2-CD2 4.22Å; F457-F476 AromaticContact CE2-CE2 3.55Å; F457-F476 HydrophobicContact CE2-CE2 3.55Å; F457-F476 HydrophobicContact CE2-CZ 4.41Å; F457-F476 HydrophobicContact CZ-CE2 4.48Å; F457-L514 HydrophobicContact CE1-CD2 4.34Å; F457-L514 HydrophobicContact CZ-CD2 3.83Å; F457-V520 HydrophobicContact CE2-CG1 4.3Å; F457-V520 HydrophobicContact CE2-CG2 4.23Å; F457-V520 HydrophobicContact CZ-CG1 4.3Å; F457-V520 HydrophobicContact CZ-CG2 4.09Å |
| 458 | S | 77.3 | Confident | 73.7 | Confident | 14 Ų | 14 | 73.3 Ų | 73.3 | 10% | 0.098 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -16.6 | 175.7 | 77.3 | 0 | 0 | 0 | 0 | 114.1 | A454 D455 V456 V460 Q473 | A454-S458 PolarHBondContact O-N 2.98Å; A454-S458 VanDerWaalsContact O-N 3.13Å; D455-S458 WeakPolarHBondContact O-CB 3.1Å; D455-S458 PolarHBondContact O-N 3.45Å; D455-S458 PolarHBondContact O-OG 2.86Å; V456-S458 VanDerWaalsContact C-N 3.27Å; V456-S458 PolarHBondContact O-N 3.02Å; S458-V460 VanDerWaalsContact C-N 3.33Å; S458-V460 WeakPolarHBondContact OG-CG2 3.48Å; S458-V460 PolarHBondContact OG-N 3.21Å; S458-Q473 VanDerWaalsContact CB-CD 3.48Å |
| 459 | G | 65.5 | Low | 73.1 | Confident | 51 Ų | 51 | 72.3 Ų | 72.3 | 53% | 0.526 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.2 | 5.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | F457 | F457-G459 VanDerWaalsContact C-N 3.31Š|
| 460 | V | 63.1 | Low | 72.7 | Confident | 117 Ų | 117 | 74.6 Ų | 74.6 | 71% | 0.709 | 39% | 0.385 | S | S | * | . | trans | -85.5 | -21.4 | -176.4 | -178.2 | 0 | 0 | 0 | 0 | 112.7 | S458 P462 | S458-V460 VanDerWaalsContact C-N 3.33Å; S458-V460 WeakPolarHBondContact OG-CG2 3.48Å; S458-V460 PolarHBondContact OG-N 3.21Å; V460-P462 WeakPolarHBondContact O-CD 3.41Å | ||
| 461 | K | 61.3 | Low | 72.2 | Confident | 87 Ų | 87 | 81.1 Ų | 81.1 | 38% | 0.378 | 42% | 0.42 | S | S | . | . | trans | -96.5 | 108.2 | 177.5 | -74.3 | -176.2 | 179.4 | 173.3 | 0 | 110.9 | D455 V456 L463 | D455-K461 HydrophobicContact CB-CD 4.45Å; V456-K461 HydrophobicContact CG2-CD 4.41Å; K461-L463 VanDerWaalsContact C-N 3.32Å; K461-L463 PolarHBondContact O-N 2.94Å | ||
| 462 | P | 51.1 | Low | 71.9 | Confident | 127 Ų | 127 | 79 Ų | 79 | 83% | 0.825 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -12.5 | -168.7 | -15.9 | 29.9 | 0 | 0 | 0 | 116.1 | V460 | V460-P462 WeakPolarHBondContact O-CD 3.41Š|
| 463 | L | 51.1 | Low | 71.7 | Confident | 173 Ų | 173 | 77.3 Ų | 77.3 | 91% | 0.906 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | -5.4 | -166.4 | -81.9 | 148.1 | 0 | 0 | 0 | 114.5 | K461 | K461-L463 VanDerWaalsContact C-N 3.32Å; K461-L463 PolarHBondContact O-N 2.94Å |
| 464 | T | 59 | Low | 71.7 | Confident | 31 Ų | 31 | 80 Ų | 80 | 19% | 0.19 | 42% | 0.422 | C | S | . | . | S | Bend | trans | -115.1 | 123.3 | -176.5 | 37.8 | 0 | 0 | 0 | 0 | 110.4 | V466 | T464-V466 PolarHBondContact O-N 3.43Š|
| 465 | R | 60.9 | Low | 71.9 | Confident | 259 Ų | 259 | 83.6 Ų | 83.6 | 98% | 0.977 | 44% | 0.436 | S | S | * | . | trans | -71 | 53.7 | 177.8 | -63.2 | 179.9 | -179.7 | 175.3 | -0.3 | 112.1 | ||||
| 466 | V | 68.4 | Low | 72.1 | Confident | 31 Ų | 31 | 81.4 Ų | 81.4 | 19% | 0.188 | 42% | 0.424 | C | S | . | . | trans | -115.2 | 129.6 | -176.9 | -178.3 | 0 | 0 | 0 | 0 | 108.7 | V456 F457 T464 N517 | V456-V466 HydrophobicContact CG1-CB 4.04Å; V456-V466 HydrophobicContact CG1-CG1 4.22Å; V456-V466 HydrophobicContact CG1-CG2 3.92Å; F457-V466 HydrophobicContact CD1-CG1 3.6Å; F457-V466 HydrophobicContact CE1-CG1 3.36Å; F457-V466 HydrophobicContact CG-CG1 4.43Å; F457-V466 HydrophobicContact CZ-CG1 4.02Å; T464-V466 PolarHBondContact O-N 3.43Å; V466-N517 WeakPolarHBondContact CG2-ND2 3.49Å | ||
| 467 | E | 67.3 | Low | 72.5 | Confident | 175 Ų | 175 | 86.5 Ų | 86.5 | 82% | 0.818 | 44% | 0.441 | S | S | * | . | trans | -71.3 | 139.8 | 175.8 | -65.8 | -174 | 169.4 | 0 | 0 | 110.9 | N469 | E467-N469 PolarHBondContact O-N 3.17Š| ||
| 468 | K | 77 | Confident | 73 | Confident | 125 Ų | 125 | 90.1 Ų | 90.1 | 54% | 0.543 | 46% | 0.458 | S | S | . | . | trans | -60.6 | 128 | 177.7 | -177.8 | -174.3 | 173.8 | -158.6 | 0 | 109.7 | F457 E470 | F457-K468 WeakPolarHBondContact O-CA 3.24Å; F457-K468 WeakPolarHBondContact O-CG 2.98Å; K468-E470 WeakPolarHBondContact CE-OE1 3.22Å; K468-E470 IonicContact NZ-OE1 3.54Å; K468-E470 PolarHBondContact NZ-OE1 3.5Å | ||
| 469 | N | 79.7 | Confident | 73.6 | Confident | 55 Ų | 55 | 89.8 Ų | 89.8 | 29% | 0.294 | 46% | 0.455 | S | S | . | . | trans | -137.4 | 104.3 | 177.3 | -172.7 | -34.5 | 0 | 0 | 0 | 110.2 | F457 E467 N471 L472 Q473 | F457-N469 HydrophobicContact CD1-CB 4.08Å; F457-N469 PolarHBondContact O-N 3.33Å; E467-N469 PolarHBondContact O-N 3.17Å; N469-N471 VanDerWaalsContact C-N 3.3Å; N469-N471 PolarHBondContact O-N 2.96Å; N469-N471 WeakPolarHBondContact OD1-CB 3.48Å; N469-N471 PolarHBondContact OD1-N 3.05Å; N469-N471 VanDerWaalsContact OD1-N 3.13Å; N469-L472 HydrophobicContact CB-CB 4.2Å; N469-L472 HydrophobicContact CB-CD1 4.2Å; N469-L472 HydrophobicContact CB-CG 4.42Å; N469-L472 WeakPolarHBondContact ND2-CD1 3.49Å; N469-L472 PolarHBondContact O-N 3.18Å; N469-L472 PolarHBondContact OD1-N 3.06Å; N469-L472 VanDerWaalsContact OD1-N 3.1Å; N469-Q473 WeakPolarHBondContact O-CB 3.46Å; N469-Q473 PolarHBondContact O-N 2.77Å | ||
| 470 | E | 77.5 | Confident | 74.8 | Confident | 120 Ų | 120 | 87.6 Ų | 87.6 | 56% | 0.561 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -67.7 | -30 | -175.5 | -63.4 | -172.8 | 166.4 | 0 | 0 | 112.8 | K468 A474 | K468-E470 WeakPolarHBondContact CE-OE1 3.22Å; K468-E470 IonicContact NZ-OE1 3.54Å; K468-E470 PolarHBondContact NZ-OE1 3.5Å; E470-A474 WeakPolarHBondContact O-CB 3.34Å; E470-A474 PolarHBondContact O-N 2.93Å |
| 471 | N | 80.3 | Confident | 76.1 | Confident | 136 Ų | 136 | 88.7 Ų | 88.7 | 73% | 0.727 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -70 | -45.7 | 178.1 | -66.5 | -24.2 | 0 | 0 | 0 | 111.1 | N469 A474 W475 | N469-N471 VanDerWaalsContact C-N 3.3Å; N469-N471 PolarHBondContact O-N 2.96Å; N469-N471 WeakPolarHBondContact OD1-CB 3.48Å; N469-N471 PolarHBondContact OD1-N 3.05Å; N469-N471 VanDerWaalsContact OD1-N 3.13Å; N471-A474 PolarHBondContact O-N 3.28Å; N471-W475 WeakPolarHBondContact O-CB 3.49Å; N471-W475 PolarHBondContact O-N 3.33Å |
| 472 | L | 78.9 | Confident | 77.4 | Confident | 8 Ų | 8 | 87.4 Ų | 87.4 | 4% | 0.042 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -67.8 | -37.9 | 176.3 | -72.5 | 176.5 | 0 | 0 | 0 | 111.8 | F457 N469 W475 F476 V508 L514 | F457-L472 HydrophobicContact CD1-CB 4.4Å; F457-L472 HydrophobicContact CD1-CD1 4.16Å; F457-L472 HydrophobicContact CD2-CB 4.5Å; F457-L472 HydrophobicContact CE1-CD1 3.86Å; F457-L472 HydrophobicContact CG-CB 4.24Å; F457-L472 HydrophobicContact CZ-CD1 4.19Å; N469-L472 HydrophobicContact CB-CB 4.2Å; N469-L472 HydrophobicContact CB-CD1 4.2Å; N469-L472 HydrophobicContact CB-CG 4.42Å; N469-L472 WeakPolarHBondContact ND2-CD1 3.49Å; N469-L472 PolarHBondContact O-N 3.18Å; N469-L472 PolarHBondContact OD1-N 3.06Å; N469-L472 VanDerWaalsContact OD1-N 3.1Å; L472-W475 PolarHBondContact O-N 3.46Å; L472-F476 HydrophobicContact CB-CD2 4.35Å; L472-F476 HydrophobicContact CB-CE2 4.18Å; L472-F476 HydrophobicContact CD2-CE2 4.45Å; L472-F476 WeakPolarHBondContact O-CD2 3.46Å; L472-F476 PolarHBondContact O-N 3.14Å; L472-V508 HydrophobicContact CD2-CG1 4.43Å; L472-L514 HydrophobicContact CD1-CD2 4.31Å |
| 473 | Q | 81.7 | Confident | 79.2 | Confident | 33 Ų | 33 | 81.3 Ų | 81.3 | 15% | 0.154 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -57.5 | -49.3 | 173.2 | 175.4 | -176.8 | 9.8 | 0 | 0 | 111.8 | A454 F457 S458 N469 W475 R477 | A454-Q473 HydrophobicContact CB-CG 4.43Å; A454-Q473 WeakPolarHBondContact O-CG 3.49Å; F457-Q473 HydrophobicContact CB-CB 4.35Å; S458-Q473 VanDerWaalsContact CB-CD 3.48Å; N469-Q473 WeakPolarHBondContact O-CB 3.46Å; N469-Q473 PolarHBondContact O-N 2.77Å; Q473-W475 VanDerWaalsContact C-N 3.33Å; Q473-R477 WeakPolarHBondContact O-CG 3.45Å; Q473-R477 PolarHBondContact O-N 2.85Å; Q473-R477 VanDerWaalsContact O-N 3.16Å |
| 474 | A | 83.3 | Confident | 81 | Confident | 61 Ų | 61 | 77.6 Ų | 77.6 | 50% | 0.504 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.8 | -40.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | E470 N471 R477 E478 | E470-A474 WeakPolarHBondContact O-CB 3.34Å; E470-A474 PolarHBondContact O-N 2.93Å; N471-A474 PolarHBondContact O-N 3.28Å; A474-R477 PolarHBondContact O-N 3.22Å; A474-E478 PolarHBondContact O-N 3Å |
| 475 | W | 87 | Confident | 82.5 | Confident | 75 Ų | 75 | 79.3 Ų | 79.3 | 28% | 0.284 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.2 | -49.6 | 178.4 | -170.5 | 89.6 | 0 | 0 | 0 | 112.6 | N471 L472 Q473 R477 E478 I479 A504 L505 V508 | N471-W475 WeakPolarHBondContact O-CB 3.49Å; N471-W475 PolarHBondContact O-N 3.33Å; L472-W475 PolarHBondContact O-N 3.46Å; Q473-W475 VanDerWaalsContact C-N 3.33Å; W475-R477 VanDerWaalsContact C-N 3.32Å; W475-R477 PolarHBondContact O-N 3.4Å; W475-E478 PolarHBondContact O-N 3.11Å; W475-E478 VanDerWaalsContact O-N 3.11Å; W475-I479 HydrophobicContact CD2-CG1 3.9Å; W475-I479 HydrophobicContact CE3-CG1 3.83Å; W475-I479 HydrophobicContact CH2-CD1 3.98Å; W475-I479 HydrophobicContact CH2-CG1 3.63Å; W475-I479 HydrophobicContact CZ2-CD1 3.73Å; W475-I479 HydrophobicContact CZ2-CG1 3.69Å; W475-I479 HydrophobicContact CZ3-CG1 3.69Å; W475-I479 WeakPolarHBondContact O-CG1 3.39Å; W475-I479 PolarHBondContact O-N 3.44Å; W475-A504 HydrophobicContact CZ2-CB 4.11Å; W475-L505 HydrophobicContact CH2-CD2 3.94Å; W475-L505 HydrophobicContact CZ3-CD2 4Å; W475-V508 HydrophobicContact CD2-CG2 4.21Å; W475-V508 HydrophobicContact CE3-CG1 4.38Å; W475-V508 HydrophobicContact CE3-CG2 4.26Å; W475-V508 HydrophobicContact CH2-CB 3.86Å; W475-V508 HydrophobicContact CH2-CG1 4.25Å; W475-V508 HydrophobicContact CH2-CG2 3.43Å; W475-V508 VanDerWaalsContact CH2-CG2 3.43Å; W475-V508 HydrophobicContact CZ2-CB 4.28Å; W475-V508 HydrophobicContact CZ2-CG2 3.35Å; W475-V508 HydrophobicContact CZ3-CB 4.13Å; W475-V508 HydrophobicContact CZ3-CG1 3.99Å; W475-V508 HydrophobicContact CZ3-CG2 3.9Å |
| 476 | F | 87.1 | Confident | 83.8 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.9 | -34.1 | 178 | -73.6 | -57 | 0 | 0 | 0 | 112.8 | M450 L453 A454 F457 L472 S480 V508 L524 | M450-F476 HydrophobicContact CE-CD1 4.42Å; M450-F476 HydrophobicContact SD-CD1 3.73Å; M450-F476 HydrophobicContact SD-CE1 4.27Å; L453-F476 HydrophobicContact CB-CD1 4.47Å; L453-F476 HydrophobicContact CB-CD2 4.33Å; L453-F476 HydrophobicContact CB-CG 4.26Å; L453-F476 HydrophobicContact CD1-CE1 4.28Å; A454-F476 HydrophobicContact CB-CB 3.83Å; F457-F476 AromaticContact CD2-CD2 3.92Å; F457-F476 HydrophobicContact CD2-CD2 3.92Å; F457-F476 AromaticContact CD2-CE2 3.71Å; F457-F476 HydrophobicContact CD2-CE2 3.71Å; F457-F476 HydrophobicContact CE2-CD2 4.22Å; F457-F476 AromaticContact CE2-CE2 3.55Å; F457-F476 HydrophobicContact CE2-CE2 3.55Å; F457-F476 HydrophobicContact CE2-CZ 4.41Å; F457-F476 HydrophobicContact CZ-CE2 4.48Å; L472-F476 HydrophobicContact CB-CD2 4.35Å; L472-F476 HydrophobicContact CB-CE2 4.18Å; L472-F476 HydrophobicContact CD2-CE2 4.45Å; L472-F476 WeakPolarHBondContact O-CD2 3.46Å; L472-F476 PolarHBondContact O-N 3.14Å; F476-S480 WeakPolarHBondContact O-CB 3.47Å; F476-S480 PolarHBondContact O-N 3.43Å; F476-V508 HydrophobicContact CZ-CG1 4.26Å; F476-L524 HydrophobicContact CE1-CD2 3.7Å; F476-L524 HydrophobicContact CZ-CD2 4.14Å |
| 477 | R | 86.9 | Confident | 84.5 | Confident | 128 Ų | 128 | 69.6 Ų | 69.6 | 48% | 0.483 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.7 | -40.1 | 171.8 | -77.8 | -175.1 | 178.2 | 176.5 | -0.4 | 112.4 | A454 D455 Q473 A474 W475 S480 K481 | A454-R477 HydrophobicContact CB-CG 3.65Å; D455-R477 IonicContact OD1-NH2 3.47Å; Q473-R477 WeakPolarHBondContact O-CG 3.45Å; Q473-R477 PolarHBondContact O-N 2.85Å; Q473-R477 VanDerWaalsContact O-N 3.16Å; A474-R477 PolarHBondContact O-N 3.22Å; W475-R477 VanDerWaalsContact C-N 3.32Å; W475-R477 PolarHBondContact O-N 3.4Å; R477-S480 WeakPolarHBondContact O-CB 3.33Å; R477-S480 PolarHBondContact O-N 3.19Å; R477-K481 PolarHBondContact O-N 2.97Å |
| 478 | E | 88.4 | Confident | 85.3 | Confident | 86 Ų | 86 | 63.7 Ų | 63.7 | 40% | 0.402 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -68.4 | -42.9 | 177.5 | -176.1 | 53.7 | -149.2 | 0 | 0 | 111.2 | A474 W475 S480 K481 Q482 | A474-E478 PolarHBondContact O-N 3Å; W475-E478 PolarHBondContact O-N 3.11Å; W475-E478 VanDerWaalsContact O-N 3.11Å; E478-S480 VanDerWaalsContact C-N 3.34Å; E478-S480 PolarHBondContact O-N 3.35Å; E478-K481 WeakPolarHBondContact O-CB 3.39Å; E478-K481 PolarHBondContact O-N 3.22Å; E478-Q482 WeakPolarHBondContact O-CG 3.09Å; E478-Q482 PolarHBondContact O-N 3.31Å; E478-Q482 PolarHBondContact OE1-NE2 3.03Å |
| 479 | I | 89.9 | Confident | 85.5 | Confident | 7 Ų | 7 | 64.3 Ų | 64.3 | 4% | 0.036 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59.7 | -44.5 | 172.9 | -66.3 | -65.3 | 0 | 0 | 0 | 111.2 | M450 W475 K481 Q482 I483 L501 L505 | M450-I479 HydrophobicContact CG-CG2 4.01Å; M450-I479 HydrophobicContact SD-CB 4.48Å; M450-I479 HydrophobicContact SD-CG2 3.8Å; W475-I479 HydrophobicContact CD2-CG1 3.9Å; W475-I479 HydrophobicContact CE3-CG1 3.83Å; W475-I479 HydrophobicContact CH2-CD1 3.98Å; W475-I479 HydrophobicContact CH2-CG1 3.63Å; W475-I479 HydrophobicContact CZ2-CD1 3.73Å; W475-I479 HydrophobicContact CZ2-CG1 3.69Å; W475-I479 HydrophobicContact CZ3-CG1 3.69Å; W475-I479 WeakPolarHBondContact O-CG1 3.39Å; W475-I479 PolarHBondContact O-N 3.44Å; I479-K481 VanDerWaalsContact C-N 3.33Å; I479-K481 PolarHBondContact O-N 3.43Å; I479-Q482 PolarHBondContact O-N 2.87Å; I479-Q482 VanDerWaalsContact O-N 3.14Å; I479-I483 HydrophobicContact CG2-CD1 4.01Å; I479-I483 HydrophobicContact CG2-CG1 4.43Å; I479-I483 WeakPolarHBondContact O-CG1 3.49Å; I479-I483 PolarHBondContact O-N 2.92Å; I479-L501 HydrophobicContact CD1-CD2 3.69Å; I479-L501 HydrophobicContact CG2-CD2 4.38Å; I479-L505 HydrophobicContact CG2-CD2 4.38Å |
| 480 | S | 90.1 | Very high | 85.5 | Confident | 6 Ų | 6 | 65.6 Ų | 65.6 | 4% | 0.042 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -56.1 | -46.2 | 174.3 | -177.8 | 0 | 0 | 0 | 0 | 111.9 | S447 T451 F476 R477 E478 Q482 I483 L484 | S447-S480 PolarHBondContact O-OG 2.99Å; S447-S480 PolarHBondContact OG-OG 3.49Å; T451-S480 PolarHBondContact OG1-OG 3.48Å; F476-S480 WeakPolarHBondContact O-CB 3.47Å; F476-S480 PolarHBondContact O-N 3.43Å; R477-S480 WeakPolarHBondContact O-CB 3.33Å; R477-S480 PolarHBondContact O-N 3.19Å; E478-S480 VanDerWaalsContact C-N 3.34Å; E478-S480 PolarHBondContact O-N 3.35Å; S480-Q482 VanDerWaalsContact C-N 3.34Å; S480-Q482 PolarHBondContact O-N 3.44Å; S480-I483 PolarHBondContact O-N 2.9Å; S480-L484 WeakPolarHBondContact O-CG 3.44Å; S480-L484 PolarHBondContact O-N 3.37Å |
| 481 | K | 90.6 | Very high | 85.5 | Confident | 139 Ų | 139 | 62.5 Ų | 62.5 | 60% | 0.604 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -63.6 | -38.9 | 176.3 | -168.8 | -175.2 | -178.4 | -173.4 | 0 | 112.1 | R477 E478 I479 L484 S485 | R477-K481 PolarHBondContact O-N 2.97Å; E478-K481 WeakPolarHBondContact O-CB 3.39Å; E478-K481 PolarHBondContact O-N 3.22Å; I479-K481 VanDerWaalsContact C-N 3.33Å; I479-K481 PolarHBondContact O-N 3.43Å; K481-L484 PolarHBondContact O-N 2.96Å; K481-S485 WeakPolarHBondContact O-CB 3.29Å; K481-S485 PolarHBondContact O-N 3.16Å |
| 482 | Q | 89.3 | Confident | 85.6 | Confident | 60 Ų | 60 | 59.9 Ų | 59.9 | 28% | 0.28 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -66.9 | -39.6 | 176.5 | -71.5 | -176.9 | 24.5 | 0 | 0 | 112 | E478 I479 S480 S485 L486 L501 | E478-Q482 WeakPolarHBondContact O-CG 3.09Å; E478-Q482 PolarHBondContact O-N 3.31Å; E478-Q482 PolarHBondContact OE1-NE2 3.03Å; I479-Q482 PolarHBondContact O-N 2.87Å; I479-Q482 VanDerWaalsContact O-N 3.14Å; S480-Q482 VanDerWaalsContact C-N 3.34Å; S480-Q482 PolarHBondContact O-N 3.44Å; Q482-S485 PolarHBondContact O-N 2.91Å; Q482-S485 PolarHBondContact O-OG 3Å; Q482-L486 PolarHBondContact O-N 3.42Å; Q482-L501 HydrophobicContact CB-CD1 4.44Å; Q482-L501 HydrophobicContact CB-CD2 3.96Å |
| 483 | I | 89.1 | Confident | 85.7 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.9 | -46.1 | 171.6 | -65.3 | 170.1 | 0 | 0 | 0 | 110.1 | K443 M450 I479 S480 S485 L486 L501 T527 L531 | K443-I483 VanDerWaalsContact CE-O 3.24Å; K443-I483 WeakPolarHBondContact CE-O 3.25Å; K443-I483 HydrophobicContact CG-CG2 4.18Å; K443-I483 WeakPolarHBondContact O-CG2 3.36Å; M450-I483 HydrophobicContact CG-CD1 3.84Å; I479-I483 HydrophobicContact CG2-CD1 4.01Å; I479-I483 HydrophobicContact CG2-CG1 4.43Å; I479-I483 WeakPolarHBondContact O-CG1 3.49Å; I479-I483 PolarHBondContact O-N 2.92Å; S480-I483 PolarHBondContact O-N 2.9Å; I483-S485 PolarHBondContact O-N 3.32Å; I483-L486 WeakPolarHBondContact O-CB 3.47Å; I483-L486 WeakPolarHBondContact O-CG 3.24Å; I483-L486 PolarHBondContact O-N 3.04Å; I483-L501 HydrophobicContact CG1-CD1 3.93Å; I483-T527 HydrophobicContact CD1-CG2 4.13Å; I483-L531 HydrophobicContact CD1-CD1 4.46Å; I483-L531 HydrophobicContact CD1-CD2 4.13Å; I483-L531 HydrophobicContact CG1-CD2 4.01Å; I483-L531 HydrophobicContact CG2-CD2 4.35Å |
| 484 | L | 89.4 | Confident | 85.7 | Confident | 95 Ų | 95 | 60.4 Ų | 60.4 | 50% | 0.497 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63.4 | -27.7 | 176.6 | -72.9 | 171.3 | 0 | 0 | 0 | 113.5 | K443 S447 S480 K481 L486 | K443-L484 VanDerWaalsContact CE-C 3.44Å; K443-L484 VanDerWaalsContact CE-CA 3.48Å; K443-L484 WeakPolarHBondContact CE-O 3.39Å; K443-L484 PolarHBondContact NZ-O 3.05Å; S447-L484 WeakPolarHBondContact OG-CD1 3.16Å; S447-L484 VanDerWaalsContact OG-CG 3.22Å; S447-L484 WeakPolarHBondContact OG-CG 3.37Å; S480-L484 WeakPolarHBondContact O-CG 3.44Å; S480-L484 PolarHBondContact O-N 3.37Å; K481-L484 PolarHBondContact O-N 2.96Å; L484-L486 VanDerWaalsContact C-N 3.29Å; L484-L486 PolarHBondContact O-N 3.1Å |
| 485 | S | 89.4 | Confident | 85.7 | Confident | 66 Ų | 66 | 58.2 Ų | 58.2 | 46% | 0.462 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -10.9 | 177.7 | 78.4 | 0 | 0 | 0 | 0 | 114.5 | K481 Q482 I483 N487 K497 | K481-S485 WeakPolarHBondContact O-CB 3.29Å; K481-S485 PolarHBondContact O-N 3.16Å; Q482-S485 PolarHBondContact O-N 2.91Å; Q482-S485 PolarHBondContact O-OG 3Å; I483-S485 PolarHBondContact O-N 3.32Å; S485-N487 PolarHBondContact O-N 3.13Å; S485-K497 PolarHBondContact OG-NZ 2.88Å |
| 486 | L | 88.3 | Confident | 85.6 | Confident | 4 Ų | 4 | 62.9 Ų | 62.9 | 2% | 0.021 | 32% | 0.322 | C | S | . | . | trans | -62.4 | 131 | 178.1 | -65.7 | 169.7 | 0 | 0 | 0 | 109.7 | W439 K443 Q482 I483 L484 A494 K497 T498 L501 M534 | W439-L486 HydrophobicContact CH2-CB 3.88Å; W439-L486 WeakPolarHBondContact CH2-O 3.15Å; W439-L486 HydrophobicContact CZ2-CB 4.06Å; K443-L486 WeakPolarHBondContact CE-O 3.36Å; K443-L486 PolarHBondContact NZ-O 3.44Å; Q482-L486 PolarHBondContact O-N 3.42Å; I483-L486 WeakPolarHBondContact O-CB 3.47Å; I483-L486 WeakPolarHBondContact O-CG 3.24Å; I483-L486 PolarHBondContact O-N 3.04Å; L484-L486 VanDerWaalsContact C-N 3.29Å; L484-L486 PolarHBondContact O-N 3.1Å; L486-A494 HydrophobicContact CD2-CB 4.39Å; L486-K497 HydrophobicContact CD2-CB 3.83Å; L486-K497 HydrophobicContact CD2-CD 3.94Å; L486-K497 HydrophobicContact CD2-CG 3.99Å; L486-T498 WeakPolarHBondContact CD1-OG1 3.37Å; L486-L501 HydrophobicContact CD1-CD1 4.36Å; L486-M534 HydrophobicContact CD1-CE 3.72Å | ||
| 487 | N | 83.6 | Confident | 85.5 | Confident | 82 Ų | 82 | 66.4 Ų | 66.4 | 44% | 0.439 | 34% | 0.337 | S | S | . | . | trans | -103.9 | 133.1 | 178.9 | -170.6 | 3.2 | 0 | 0 | 0 | 110.7 | S485 D489 A494 | S485-N487 PolarHBondContact O-N 3.13Å; N487-D489 PolarHBondContact OD1-N 3.4Å; N487-A494 WeakPolarHBondContact O-CB 3.4Å | ||
| 488 | Y | 83.1 | Confident | 85.5 | Confident | 52 Ų | 52 | 60.4 Ų | 60.4 | 20% | 0.204 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -67.3 | -38.9 | 176.3 | 178.8 | -100.4 | 0 | 0 | 0 | 112 | K435 Q436 W439 D490 | K435-Y488 WeakPolarHBondContact CD-OH 3.39Å; K435-Y488 WeakPolarHBondContact CE-OH 3.23Å; K435-Y488 HydrophobicContact CG-CE2 4.29Å; Q436-Y488 HydrophobicContact CB-CE1 4.38Å; Q436-Y488 HydrophobicContact CB-CE2 4.4Å; Q436-Y488 HydrophobicContact CG-CD1 4.43Å; Q436-Y488 HydrophobicContact CG-CE1 4.34Å; W439-Y488 HydrophobicContact CB-CD2 4.23Å; W439-Y488 HydrophobicContact CB-CE2 4.38Å; W439-Y488 AromaticContact CD2-CD2 3.86Å; W439-Y488 HydrophobicContact CD2-CD2 3.86Å; W439-Y488 AromaticContact CE3-CD2 3.92Å; W439-Y488 HydrophobicContact CE3-CD2 3.92Å; W439-Y488 HydrophobicContact CE3-CG 4.38Å; W439-Y488 HydrophobicContact CG-CD2 4Å; W439-Y488 HydrophobicContact CG-CE2 4.47Å; Y488-D490 VanDerWaalsContact C-N 3.27Å; Y488-D490 PolarHBondContact O-N 2.84Å |
| 489 | D | 81.3 | Confident | 85.4 | Confident | 138 Ų | 138 | 59.8 Ų | 59.8 | 74% | 0.738 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -67.1 | -28.7 | -174.7 | -59.5 | -36.3 | 0 | 0 | 0 | 112.6 | N487 S491 | N487-D489 PolarHBondContact OD1-N 3.4Å; D489-S491 PolarHBondContact O-N 3.45Å |
| 490 | D | 81.2 | Confident | 85.3 | Confident | 82 Ų | 82 | 65.9 Ų | 65.9 | 44% | 0.439 | 35% | 0.345 | S | S | . | . | trans | -99.8 | 68.6 | 174.4 | -168.4 | -11.6 | 0 | 0 | 0 | 110.8 | Y488 T492 A493 A494 | Y488-D490 VanDerWaalsContact C-N 3.27Å; Y488-D490 PolarHBondContact O-N 2.84Å; D490-T492 PolarHBondContact O-N 2.91Å; D490-T492 VanDerWaalsContact O-N 3.13Å; D490-A493 HydrophobicContact CB-CB 4.4Å; D490-A493 PolarHBondContact O-N 2.74Å; D490-A493 WeakPolarHBondContact OD1-CB 3.31Å; D490-A493 PolarHBondContact OD1-N 3.08Å; D490-A493 VanDerWaalsContact OD1-N 3.12Å; D490-A493 WeakPolarHBondContact OD2-CB 3.35Å; D490-A494 WeakPolarHBondContact O-CB 3.31Å; D490-A494 PolarHBondContact O-N 3.09Å | ||
| 491 | S | 77.8 | Confident | 85.2 | Confident | 55 Ų | 55 | 65.8 Ų | 65.8 | 39% | 0.385 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -54.8 | -33 | -174.9 | 56.6 | 0 | 0 | 0 | 0 | 114.6 | D489 G495 | D489-S491 PolarHBondContact O-N 3.45Å; S491-G495 PolarHBondContact O-N 2.92Å |
| 492 | T | 80.7 | Confident | 85.1 | Confident | 81 Ų | 81 | 59.6 Ų | 59.6 | 50% | 0.497 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -80.5 | -43.7 | -176.5 | -56.5 | 0 | 0 | 0 | 0 | 111.7 | D490 R496 | D490-T492 PolarHBondContact O-N 2.91Å; D490-T492 VanDerWaalsContact O-N 3.13Å; T492-R496 WeakPolarHBondContact O-CG 3.43Å; T492-R496 PolarHBondContact O-N 2.9Å |
| 493 | A | 81.6 | Confident | 85 | Confident | 45 Ų | 45 | 61.5 Ų | 61.5 | 37% | 0.372 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -70.5 | -40.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | D490 G495 R496 K497 | D490-A493 HydrophobicContact CB-CB 4.4Å; D490-A493 PolarHBondContact O-N 2.74Å; D490-A493 WeakPolarHBondContact OD1-CB 3.31Å; D490-A493 PolarHBondContact OD1-N 3.08Å; D490-A493 VanDerWaalsContact OD1-N 3.12Å; D490-A493 WeakPolarHBondContact OD2-CB 3.35Å; A493-G495 PolarHBondContact O-N 3.14Å; A493-R496 PolarHBondContact O-N 2.96Å; A493-K497 WeakPolarHBondContact O-CB 3.43Å; A493-K497 PolarHBondContact O-N 3.43Å |
| 494 | A | 82.1 | Confident | 84.8 | Confident | 6 Ų | 6 | 62.7 Ų | 62.7 | 5% | 0.05 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59.4 | -47.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | W439 L486 N487 D490 R496 K497 T498 I538 | W439-A494 HydrophobicContact CZ2-CB 4.45Å; L486-A494 HydrophobicContact CD2-CB 4.39Å; N487-A494 WeakPolarHBondContact O-CB 3.4Å; D490-A494 WeakPolarHBondContact O-CB 3.31Å; D490-A494 PolarHBondContact O-N 3.09Å; A494-R496 PolarHBondContact O-N 3.48Å; A494-K497 PolarHBondContact O-N 3.3Å; A494-T498 WeakPolarHBondContact O-CB 3.33Å; A494-T498 PolarHBondContact O-N 3.04Å; A494-T498 PolarHBondContact O-OG1 3.11Å; A494-I538 HydrophobicContact CB-CD1 4.12Å |
| 495 | G | 83.3 | Confident | 84.6 | Confident | 15 Ų | 15 | 58.1 Ų | 58.1 | 16% | 0.155 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -56.7 | -46.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | S491 A493 T498 V499 | S491-G495 PolarHBondContact O-N 2.92Å; A493-G495 PolarHBondContact O-N 3.14Å; G495-T498 PolarHBondContact O-N 3.15Å; G495-V499 WeakPolarHBondContact O-CG2 3.37Å; G495-V499 PolarHBondContact O-N 3.13Å; G495-V499 VanDerWaalsContact O-N 3.15Å |
| 496 | R | 84.5 | Confident | 84.4 | Confident | 174 Ų | 174 | 58.4 Ų | 58.4 | 66% | 0.657 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -63 | -43.6 | 177.6 | -69.1 | -175.8 | -136 | -176.4 | 3.7 | 112.4 | T492 A493 A494 T498 V499 Q500 | T492-R496 WeakPolarHBondContact O-CG 3.43Å; T492-R496 PolarHBondContact O-N 2.9Å; A493-R496 PolarHBondContact O-N 2.96Å; A494-R496 PolarHBondContact O-N 3.48Å; R496-T498 VanDerWaalsContact C-N 3.35Å; R496-V499 PolarHBondContact O-N 3.41Å; R496-Q500 PolarHBondContact O-N 3.23Å |
| 497 | K | 85.3 | Confident | 84.1 | Confident | 73 Ų | 73 | 62.5 Ų | 62.5 | 32% | 0.317 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -66.6 | -37.3 | 179.5 | -166.8 | 174.3 | -176.3 | -176.2 | 0 | 111.5 | S485 L486 A493 A494 V499 Q500 L501 | S485-K497 PolarHBondContact OG-NZ 2.88Å; L486-K497 HydrophobicContact CD2-CB 3.83Å; L486-K497 HydrophobicContact CD2-CD 3.94Å; L486-K497 HydrophobicContact CD2-CG 3.99Å; A493-K497 WeakPolarHBondContact O-CB 3.43Å; A493-K497 PolarHBondContact O-N 3.43Å; A494-K497 PolarHBondContact O-N 3.3Å; K497-V499 PolarHBondContact O-N 2.88Å; K497-Q500 PolarHBondContact O-N 3.19Å; K497-L501 WeakPolarHBondContact O-CG 3.45Å; K497-L501 PolarHBondContact O-N 2.95Å |
| 498 | T | 85.8 | Confident | 84 | Confident | 2 Ų | 2 | 59.2 Ų | 59.2 | 1% | 0.012 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.9 | -40 | 174 | -56.4 | 0 | 0 | 0 | 0 | 112.2 | L486 A494 G495 R496 L501 I502 L531 I535 | L486-T498 WeakPolarHBondContact CD1-OG1 3.37Å; A494-T498 WeakPolarHBondContact O-CB 3.33Å; A494-T498 PolarHBondContact O-N 3.04Å; A494-T498 PolarHBondContact O-OG1 3.11Å; G495-T498 PolarHBondContact O-N 3.15Å; R496-T498 VanDerWaalsContact C-N 3.35Å; T498-L501 PolarHBondContact O-N 3.14Å; T498-I502 HydrophobicContact CG2-CD1 4.28Å; T498-I502 WeakPolarHBondContact O-CG1 3.12Å; T498-I502 PolarHBondContact O-N 3.43Å; T498-L531 HydrophobicContact CG2-CB 3.71Å; T498-L531 HydrophobicContact CG2-CD2 3.92Å; T498-L531 HydrophobicContact CG2-CG 4.33Å; T498-L531 WeakPolarHBondContact CG2-O 3.37Å; T498-I535 HydrophobicContact CG2-CD1 3.81Å; T498-I535 HydrophobicContact CG2-CG1 3.69Å |
| 499 | V | 87.1 | Confident | 83.6 | Confident | 74 Ų | 74 | 58.3 Ų | 58.3 | 45% | 0.448 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.1 | -43.3 | 174.4 | 174.1 | 0 | 0 | 0 | 0 | 111.3 | G495 R496 K497 L501 I502 Q503 I535 | G495-V499 WeakPolarHBondContact O-CG2 3.37Å; G495-V499 PolarHBondContact O-N 3.13Å; G495-V499 VanDerWaalsContact O-N 3.15Å; R496-V499 PolarHBondContact O-N 3.41Å; K497-V499 PolarHBondContact O-N 2.88Å; V499-L501 VanDerWaalsContact C-N 3.31Å; V499-L501 PolarHBondContact O-N 3.13Å; V499-I502 PolarHBondContact O-N 2.76Å; V499-Q503 PolarHBondContact O-N 3.21Å; V499-I535 HydrophobicContact CG2-CD1 3.62Å |
| 500 | Q | 87.6 | Confident | 83.3 | Confident | 134 Ų | 134 | 58.4 Ų | 58.4 | 63% | 0.626 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -61.1 | -39.5 | 175.8 | -68.9 | 173.5 | -9.3 | 0 | 0 | 112.1 | R496 K497 Q503 A504 | R496-Q500 PolarHBondContact O-N 3.23Å; K497-Q500 PolarHBondContact O-N 3.19Å; Q500-Q503 PolarHBondContact O-N 3.47Å; Q500-A504 WeakPolarHBondContact O-CB 3.33Å; Q500-A504 PolarHBondContact O-N 2.85Å |
| 501 | L | 88.4 | Confident | 82.5 | Confident | 4 Ų | 4 | 62.2 Ų | 62.2 | 2% | 0.021 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -66.8 | -37.5 | 176.4 | -69.1 | 169.7 | 0 | 0 | 0 | 112.4 | I479 Q482 I483 L486 K497 T498 V499 A504 L505 L531 | I479-L501 HydrophobicContact CD1-CD2 3.69Å; I479-L501 HydrophobicContact CG2-CD2 4.38Å; Q482-L501 HydrophobicContact CB-CD1 4.44Å; Q482-L501 HydrophobicContact CB-CD2 3.96Å; I483-L501 HydrophobicContact CG1-CD1 3.93Å; L486-L501 HydrophobicContact CD1-CD1 4.36Å; K497-L501 WeakPolarHBondContact O-CG 3.45Å; K497-L501 PolarHBondContact O-N 2.95Å; T498-L501 PolarHBondContact O-N 3.14Å; V499-L501 VanDerWaalsContact C-N 3.31Å; V499-L501 PolarHBondContact O-N 3.13Å; L501-A504 PolarHBondContact O-N 3.17Å; L501-L505 VanDerWaalsContact O-CG 3.25Å; L501-L505 WeakPolarHBondContact O-CG 3.34Å; L501-L505 PolarHBondContact O-N 2.7Å; L501-L531 HydrophobicContact CB-CD1 4.14Å |
| 502 | I | 88.3 | Confident | 81.9 | Confident | 10 Ų | 10 | 64.4 Ų | 64.4 | 5% | 0.051 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.6 | -48.3 | 175 | -68.3 | 163.3 | 0 | 0 | 0 | 110.3 | T498 V499 A504 L505 E506 R528 L531 I535 | T498-I502 HydrophobicContact CG2-CD1 4.28Å; T498-I502 WeakPolarHBondContact O-CG1 3.12Å; T498-I502 PolarHBondContact O-N 3.43Å; V499-I502 PolarHBondContact O-N 2.76Å; I502-A504 VanDerWaalsContact C-N 3.31Å; I502-A504 PolarHBondContact O-N 3.36Å; I502-L505 PolarHBondContact O-N 2.95Å; I502-L505 VanDerWaalsContact O-N 3.12Å; I502-E506 PolarHBondContact O-N 2.96Å; I502-R528 HydrophobicContact CG2-CG 4.38Å; I502-L531 HydrophobicContact CD1-CB 3.83Å; I502-L531 HydrophobicContact CG1-CB 3.62Å; I502-L531 HydrophobicContact CG1-CD1 3.93Å; I502-L531 HydrophobicContact CG1-CG 4.45Å; I502-I535 HydrophobicContact CD1-CD1 3.72Å |
| 503 | Q | 87 | Confident | 81 | Confident | 99 Ų | 99 | 68 Ų | 68 | 46% | 0.463 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -57.3 | -45.3 | 177.1 | -166.8 | 84.4 | 35.6 | 0 | 0 | 111.1 | V499 Q500 L505 E506 E507 | V499-Q503 PolarHBondContact O-N 3.21Å; Q500-Q503 PolarHBondContact O-N 3.47Å; Q503-L505 VanDerWaalsContact C-N 3.3Å; Q503-L505 PolarHBondContact O-N 2.92Å; Q503-E506 WeakPolarHBondContact O-CB 3.22Å; Q503-E506 PolarHBondContact O-N 3.32Å; Q503-E507 WeakPolarHBondContact O-CG 3.49Å; Q503-E507 PolarHBondContact O-N 2.9Å |
| 504 | A | 85.8 | Confident | 80.4 | Confident | 25 Ų | 25 | 66.7 Ų | 66.7 | 21% | 0.207 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.3 | -34.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | W475 Q500 L501 I502 V508 | W475-A504 HydrophobicContact CZ2-CB 4.11Å; Q500-A504 WeakPolarHBondContact O-CB 3.33Å; Q500-A504 PolarHBondContact O-N 2.85Å; L501-A504 PolarHBondContact O-N 3.17Å; I502-A504 VanDerWaalsContact C-N 3.31Å; I502-A504 PolarHBondContact O-N 3.36Å; A504-V508 WeakPolarHBondContact O-CB 3.49Å; A504-V508 WeakPolarHBondContact O-CG2 3.42Å; A504-V508 PolarHBondContact O-N 3.39Å; A504-V508 VanDerWaalsContact O-N 3.09Å |
| 505 | L | 84.9 | Confident | 79.4 | Confident | 0 Ų | 0 | 72.7 Ų | 72.7 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -72.4 | -32.5 | 175.2 | -71.3 | 168.5 | 0 | 0 | 0 | 112.8 | M450 W475 I479 L501 I502 Q503 Q509 L524 T527 R528 L531 | M450-L505 HydrophobicContact CE-CD2 4.02Å; M450-L505 HydrophobicContact SD-CD2 3.7Å; W475-L505 HydrophobicContact CH2-CD2 3.94Å; W475-L505 HydrophobicContact CZ3-CD2 4Å; I479-L505 HydrophobicContact CG2-CD2 4.38Å; L501-L505 VanDerWaalsContact O-CG 3.25Å; L501-L505 WeakPolarHBondContact O-CG 3.34Å; L501-L505 PolarHBondContact O-N 2.7Å; I502-L505 PolarHBondContact O-N 2.95Å; I502-L505 VanDerWaalsContact O-N 3.12Å; Q503-L505 VanDerWaalsContact C-N 3.3Å; Q503-L505 PolarHBondContact O-N 2.92Å; L505-Q509 PolarHBondContact O-N 2.86Å; L505-L524 HydrophobicContact CD2-CD2 3.77Å; L505-T527 HydrophobicContact CD1-CG2 3.9Å; L505-R528 HydrophobicContact CB-CG 3.96Å; L505-R528 HydrophobicContact CD1-CG 4.05Å; L505-L531 HydrophobicContact CD1-CD1 3.62Å |
| 506 | E | 84.2 | Confident | 78.5 | Confident | 71 Ų | 71 | 77.3 Ų | 77.3 | 33% | 0.332 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -67.2 | -49.4 | 172.3 | -73 | 173.6 | 172.8 | 0 | 0 | 111.2 | I502 Q503 V508 Q509 E510 | I502-E506 PolarHBondContact O-N 2.96Å; Q503-E506 WeakPolarHBondContact O-CB 3.22Å; Q503-E506 PolarHBondContact O-N 3.32Å; E506-V508 PolarHBondContact O-N 3.28Å; E506-Q509 WeakPolarHBondContact O-CB 3.31Å; E506-Q509 PolarHBondContact O-N 3.2Å; E506-Q509 VanDerWaalsContact O-N 3.13Å; E506-E510 PolarHBondContact O-N 3.42Å |
| 507 | E | 82.9 | Confident | 78 | Confident | 90 Ų | 90 | 70.9 Ų | 70.9 | 42% | 0.421 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -59.7 | -44.5 | 178.8 | -71.5 | 172.7 | -169.3 | 0 | 0 | 111.6 | Q503 Q509 E510 F511 | Q503-E507 WeakPolarHBondContact O-CG 3.49Å; Q503-E507 PolarHBondContact O-N 2.9Å; E507-Q509 VanDerWaalsContact C-N 3.27Å; E507-Q509 PolarHBondContact O-N 2.7Å; E507-E510 PolarHBondContact O-N 2.88Å; E507-F511 HydrophobicContact CB-CD2 4.1Å; E507-F511 HydrophobicContact CB-CE2 4.28Å; E507-F511 HydrophobicContact CG-CE2 4.46Å; E507-F511 WeakPolarHBondContact O-CB 3.35Å; E507-F511 WeakPolarHBondContact O-CD2 3.48Å; E507-F511 PolarHBondContact O-N 3.47Å |
| 508 | V | 81 | Confident | 77.5 | Confident | 14 Ų | 14 | 74.6 Ų | 74.6 | 9% | 0.085 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -64.4 | -31.4 | 178.4 | 163.9 | 0 | 0 | 0 | 0 | 112.8 | L472 W475 F476 A504 E506 H512 L514 | L472-V508 HydrophobicContact CD2-CG1 4.43Å; W475-V508 HydrophobicContact CD2-CG2 4.21Å; W475-V508 HydrophobicContact CE3-CG1 4.38Å; W475-V508 HydrophobicContact CE3-CG2 4.26Å; W475-V508 HydrophobicContact CH2-CB 3.86Å; W475-V508 HydrophobicContact CH2-CG1 4.25Å; W475-V508 HydrophobicContact CH2-CG2 3.43Å; W475-V508 VanDerWaalsContact CH2-CG2 3.43Å; W475-V508 HydrophobicContact CZ2-CB 4.28Å; W475-V508 HydrophobicContact CZ2-CG2 3.35Å; W475-V508 HydrophobicContact CZ3-CB 4.13Å; W475-V508 HydrophobicContact CZ3-CG1 3.99Å; W475-V508 HydrophobicContact CZ3-CG2 3.9Å; F476-V508 HydrophobicContact CZ-CG1 4.26Å; A504-V508 WeakPolarHBondContact O-CB 3.49Å; A504-V508 WeakPolarHBondContact O-CG2 3.42Å; A504-V508 PolarHBondContact O-N 3.39Å; A504-V508 VanDerWaalsContact O-N 3.09Å; E506-V508 PolarHBondContact O-N 3.28Å; V508-H512 PolarHBondContact O-N 2.88Å; V508-L514 HydrophobicContact CG1-CD1 3.83Å |
| 509 | Q | 75.3 | Confident | 77 | Confident | 33 Ų | 33 | 79.6 Ų | 79.6 | 15% | 0.154 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -65.5 | -42.3 | 175 | -170.7 | 178.8 | -10.5 | 0 | 0 | 111.6 | L505 E506 E507 L524 | L505-Q509 PolarHBondContact O-N 2.86Å; E506-Q509 WeakPolarHBondContact O-CB 3.31Å; E506-Q509 PolarHBondContact O-N 3.2Å; E506-Q509 VanDerWaalsContact O-N 3.13Å; E507-Q509 VanDerWaalsContact C-N 3.27Å; E507-Q509 PolarHBondContact O-N 2.7Å; Q509-L524 HydrophobicContact CB-CD1 4.15Å; Q509-L524 HydrophobicContact CG-CD1 4.27Å |
| 510 | E | 74 | Confident | 76.6 | Confident | 139 Ų | 139 | 76.2 Ų | 76.2 | 65% | 0.65 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -76.7 | -45.8 | -177.8 | -66.8 | -175.8 | 173.8 | 0 | 0 | 112.9 | E506 E507 H512 | E506-E510 PolarHBondContact O-N 3.42Å; E507-E510 PolarHBondContact O-N 2.88Å; E510-H512 PolarHBondContact O-N 2.96Å |
| 511 | F | 65.3 | Low | 76.2 | Confident | 162 Ų | 162 | 70.9 Ų | 70.9 | 71% | 0.711 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -74.3 | -25.3 | -172.7 | -79.8 | -73.8 | 0 | 0 | 0 | 114.5 | E507 | E507-F511 HydrophobicContact CB-CD2 4.1Å; E507-F511 HydrophobicContact CB-CE2 4.28Å; E507-F511 HydrophobicContact CG-CE2 4.46Å; E507-F511 WeakPolarHBondContact O-CB 3.35Å; E507-F511 WeakPolarHBondContact O-CD2 3.48Å; E507-F511 PolarHBondContact O-N 3.47Å |
| 512 | H | 64.3 | Low | 75.9 | Confident | 102 Ų | 102 | 75.6 Ų | 75.6 | 47% | 0.472 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | 10.4 | -175.1 | -74.1 | -71.5 | 0 | 0 | 0 | 114.7 | V508 E510 L514 | V508-H512 PolarHBondContact O-N 2.88Å; E510-H512 PolarHBondContact O-N 2.96Å; H512-L514 HydrophobicContact CB-CD1 4.06Å; H512-L514 HydrophobicContact CB-CD2 4.41Å; H512-L514 HydrophobicContact CB-CG 3.78Å; H512-L514 PolarHBondContact O-N 3.49Å; H512-L514 VanDerWaalsContact O-N 3.1Å |
| 513 | Q | 63.2 | Low | 75.6 | Confident | 157 Ų | 157 | 76.6 Ų | 76.6 | 73% | 0.734 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.6 | 30.3 | -177.7 | -60.4 | 179.9 | -6.7 | 0 | 0 | 113.5 | E515 S516 | Q513-E515 PolarHBondContact O-N 2.82Å; Q513-E515 VanDerWaalsContact O-N 3.13Å; Q513-S516 PolarHBondContact O-N 2.94Å; Q513-S516 PolarHBondContact O-OG 3.25Å |
| 514 | L | 67.4 | Low | 75.5 | Confident | 16 Ų | 16 | 71.9 Ų | 71.9 | 8% | 0.084 | 36% | 0.359 | C | S | . | . | G | 310 helix | trans | -68.9 | -9.2 | -179.3 | -65.9 | 175.5 | 0 | 0 | 0 | 112.6 | F457 L472 V508 H512 S516 N517 V520 C521 L524 | F457-L514 HydrophobicContact CE1-CD2 4.34Å; F457-L514 HydrophobicContact CZ-CD2 3.83Å; L472-L514 HydrophobicContact CD1-CD2 4.31Å; V508-L514 HydrophobicContact CG1-CD1 3.83Å; H512-L514 HydrophobicContact CB-CD1 4.06Å; H512-L514 HydrophobicContact CB-CD2 4.41Å; H512-L514 HydrophobicContact CB-CG 3.78Å; H512-L514 PolarHBondContact O-N 3.49Å; H512-L514 VanDerWaalsContact O-N 3.1Å; L514-S516 PolarHBondContact O-N 3.38Å; L514-N517 PolarHBondContact O-N 3.35Å; L514-N517 VanDerWaalsContact O-N 3.12Å; L514-V520 HydrophobicContact CB-CG1 4.32Å; L514-V520 HydrophobicContact CD1-CG1 4.39Å; L514-V520 HydrophobicContact CD2-CG1 4.42Å; L514-C521 PolarHBondContact O-SG 3.1Å; L514-L524 HydrophobicContact CD1-CD1 4.33Å |
| 515 | E | 62.8 | Low | 75.5 | Confident | 132 Ų | 132 | 72.5 Ų | 72.5 | 62% | 0.617 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -53.4 | -27.2 | 169.5 | -60.6 | -174.6 | 169.7 | 0 | 0 | 113.7 | Q513 N517 C521 | Q513-E515 PolarHBondContact O-N 2.82Å; Q513-E515 VanDerWaalsContact O-N 3.13Å; E515-N517 PolarHBondContact O-N 3.25Å; E515-C521 VanDerWaalsContact CA-SG 3.51Å |
| 516 | S | 63.6 | Low | 75.6 | Confident | 113 Ų | 113 | 74.4 Ų | 74.4 | 79% | 0.79 | 37% | 0.374 | S | S | * | . | G | 310 helix | trans | -68 | -19.3 | 178.6 | 57.4 | 0 | 0 | 0 | 0 | 113.8 | Q513 L514 | Q513-S516 PolarHBondContact O-N 2.94Å; Q513-S516 PolarHBondContact O-OG 3.25Å; L514-S516 PolarHBondContact O-N 3.38Å |
| 517 | N | 74.9 | Confident | 75.8 | Confident | 38 Ų | 38 | 71 Ų | 71 | 20% | 0.203 | 36% | 0.358 | C | S | . | . | trans | -113.5 | 104.6 | 178.9 | -169.3 | -47.8 | 0 | 0 | 0 | 111.5 | V466 L514 E515 Q519 V520 C521 | V466-N517 WeakPolarHBondContact CG2-ND2 3.49Å; L514-N517 PolarHBondContact O-N 3.35Å; L514-N517 VanDerWaalsContact O-N 3.12Å; E515-N517 PolarHBondContact O-N 3.25Å; N517-Q519 PolarHBondContact O-N 3.47Å; N517-Q519 WeakPolarHBondContact OD1-CA 3.4Å; N517-Q519 WeakPolarHBondContact OD1-CB 3.24Å; N517-Q519 PolarHBondContact OD1-N 2.86Å; N517-V520 HydrophobicContact CB-CB 4.13Å; N517-V520 HydrophobicContact CB-CG2 4.07Å; N517-V520 PolarHBondContact O-N 2.93Å; N517-V520 PolarHBondContact OD1-N 3.19Å; N517-V520 VanDerWaalsContact OD1-N 3.12Å; N517-C521 PolarHBondContact O-N 3.49Å; N517-C521 PolarHBondContact O-SG 3.46Å; N517-C521 VanDerWaalsContact O-SG 3.42Å | ||
| 518 | L | 74.1 | Confident | 76.1 | Confident | 151 Ų | 151 | 68.6 Ų | 68.6 | 79% | 0.791 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -55.9 | -36.5 | -179.1 | -169.4 | 72.5 | 0 | 0 | 0 | 112.8 | Q522 | L518-Q522 WeakPolarHBondContact O-CB 3.34Å; L518-Q522 PolarHBondContact O-N 3.25Å |
| 519 | Q | 75.1 | Confident | 76.5 | Confident | 107 Ų | 107 | 73.5 Ų | 73.5 | 50% | 0.5 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -70.9 | -46.4 | -178.6 | -162.3 | 166 | 7.9 | 0 | 0 | 110.5 | N517 C521 Q522 F523 | N517-Q519 PolarHBondContact O-N 3.47Å; N517-Q519 WeakPolarHBondContact OD1-CA 3.4Å; N517-Q519 WeakPolarHBondContact OD1-CB 3.24Å; N517-Q519 PolarHBondContact OD1-N 2.86Å; Q519-C521 VanDerWaalsContact C-N 3.32Å; Q519-C521 PolarHBondContact O-N 3.08Å; Q519-Q522 WeakPolarHBondContact O-CB 3.36Å; Q519-Q522 PolarHBondContact O-N 3.43Å; Q519-Q522 VanDerWaalsContact O-N 3.15Å; Q519-F523 HydrophobicContact CG-CD2 4.12Å; Q519-F523 HydrophobicContact CG-CE2 3.93Å; Q519-F523 VanDerWaalsContact O-CD2 3.27Å; Q519-F523 WeakPolarHBondContact O-CD2 3.34Å; Q519-F523 PolarHBondContact O-N 3.38Å |
| 520 | V | 78.1 | Confident | 77.2 | Confident | 4 Ų | 4 | 73.7 Ų | 73.7 | 2% | 0.024 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61 | -42.4 | 175.6 | 176 | 0 | 0 | 0 | 0 | 111.2 | L453 F457 L514 N517 Q522 F523 L524 | L453-V520 HydrophobicContact CD2-CB 4.22Å; L453-V520 HydrophobicContact CD2-CG1 3.92Å; L453-V520 HydrophobicContact CD2-CG2 4.02Å; F457-V520 HydrophobicContact CE2-CG1 4.3Å; F457-V520 HydrophobicContact CE2-CG2 4.23Å; F457-V520 HydrophobicContact CZ-CG1 4.3Å; F457-V520 HydrophobicContact CZ-CG2 4.09Å; L514-V520 HydrophobicContact CB-CG1 4.32Å; L514-V520 HydrophobicContact CD1-CG1 4.39Å; L514-V520 HydrophobicContact CD2-CG1 4.42Å; N517-V520 HydrophobicContact CB-CB 4.13Å; N517-V520 HydrophobicContact CB-CG2 4.07Å; N517-V520 PolarHBondContact O-N 2.93Å; N517-V520 PolarHBondContact OD1-N 3.19Å; N517-V520 VanDerWaalsContact OD1-N 3.12Å; V520-Q522 VanDerWaalsContact C-N 3.31Å; V520-Q522 PolarHBondContact O-N 3.33Å; V520-F523 PolarHBondContact O-N 3.13Å; V520-L524 HydrophobicContact CG1-CD1 4.01Å; V520-L524 HydrophobicContact CG1-CG 4.39Å; V520-L524 WeakPolarHBondContact O-CG 3.48Å; V520-L524 PolarHBondContact O-N 3.06Å |
| 521 | C | 80.3 | Confident | 77.9 | Confident | 21 Ų | 21 | 67 Ų | 67 | 14% | 0.142 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -58.1 | -43 | 174.1 | -73.4 | 0 | 0 | 0 | 0 | 112.6 | L514 E515 N517 Q519 L524 A525 | L514-C521 PolarHBondContact O-SG 3.1Å; E515-C521 VanDerWaalsContact CA-SG 3.51Å; N517-C521 PolarHBondContact O-N 3.49Å; N517-C521 PolarHBondContact O-SG 3.46Å; N517-C521 VanDerWaalsContact O-SG 3.42Å; Q519-C521 VanDerWaalsContact C-N 3.32Å; Q519-C521 PolarHBondContact O-N 3.08Å; C521-L524 PolarHBondContact O-N 2.93Å; C521-A525 VanDerWaalsContact O-CB 3.27Å; C521-A525 WeakPolarHBondContact O-CB 3.38Å; C521-A525 PolarHBondContact O-N 3.12Å |
| 522 | Q | 81.5 | Confident | 79 | Confident | 103 Ų | 103 | 63.2 Ų | 63.2 | 48% | 0.481 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.2 | -46.1 | 177.5 | -174.5 | 62.1 | 37.1 | 0 | 0 | 111.5 | L518 Q519 V520 L524 A525 D526 | L518-Q522 WeakPolarHBondContact O-CB 3.34Å; L518-Q522 PolarHBondContact O-N 3.25Å; Q519-Q522 WeakPolarHBondContact O-CB 3.36Å; Q519-Q522 PolarHBondContact O-N 3.43Å; Q519-Q522 VanDerWaalsContact O-N 3.15Å; V520-Q522 VanDerWaalsContact C-N 3.31Å; V520-Q522 PolarHBondContact O-N 3.33Å; Q522-L524 PolarHBondContact O-N 3.46Å; Q522-A525 PolarHBondContact O-N 3.4Å; Q522-D526 PolarHBondContact NE2-OD1 2.91Å; Q522-D526 PolarHBondContact NE2-OD2 3.49Å; Q522-D526 VanDerWaalsContact NE2-OD2 3.15Å; Q522-D526 WeakPolarHBondContact O-CB 3.35Å; Q522-D526 VanDerWaalsContact O-CG 3.25Å; Q522-D526 PolarHBondContact O-N 2.88Å |
| 523 | F | 82.4 | Confident | 80.1 | Confident | 32 Ų | 32 | 59.3 Ų | 59.3 | 14% | 0.14 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.5 | -38.1 | 178.4 | -86.5 | -93 | 0 | 0 | 0 | 113 | R449 E452 L453 Q519 V520 T527 | R449-F523 HydrophobicContact CB-CD1 4.04Å; R449-F523 VanDerWaalsContact CD-CD1 3.41Å; R449-F523 HydrophobicContact CG-CD1 4.27Å; R449-F523 VanDerWaalsContact NH1-CE1 3.26Å; E452-F523 HydrophobicContact CB-CE1 4.22Å; E452-F523 WeakPolarHBondContact OE2-CE1 3.37Å; L453-F523 HydrophobicContact CD1-CB 3.54Å; L453-F523 HydrophobicContact CD1-CG 4.45Å; L453-F523 HydrophobicContact CD2-CB 3.93Å; L453-F523 HydrophobicContact CD2-CG 4.38Å; L453-F523 HydrophobicContact CG-CB 3.71Å; L453-F523 HydrophobicContact CG-CD1 4.35Å; L453-F523 HydrophobicContact CG-CG 4.15Å; Q519-F523 HydrophobicContact CG-CD2 4.12Å; Q519-F523 HydrophobicContact CG-CE2 3.93Å; Q519-F523 VanDerWaalsContact O-CD2 3.27Å; Q519-F523 WeakPolarHBondContact O-CD2 3.34Å; Q519-F523 PolarHBondContact O-N 3.38Å; V520-F523 PolarHBondContact O-N 3.13Å; F523-T527 WeakPolarHBondContact O-CB 3.4Å; F523-T527 PolarHBondContact O-N 3.18Å; F523-T527 PolarHBondContact O-OG1 3.37Å |
| 524 | L | 84 | Confident | 81.2 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.9 | -43.6 | 173.3 | -69.1 | 172.8 | 0 | 0 | 0 | 111.2 | M450 L453 F476 L505 Q509 L514 V520 C521 Q522 T527 R528 | M450-L524 HydrophobicContact CE-CD2 4.07Å; L453-L524 HydrophobicContact CD1-CD2 4.09Å; L453-L524 HydrophobicContact CD1-CG 4.31Å; F476-L524 HydrophobicContact CE1-CD2 3.7Å; F476-L524 HydrophobicContact CZ-CD2 4.14Å; L505-L524 HydrophobicContact CD2-CD2 3.77Å; Q509-L524 HydrophobicContact CB-CD1 4.15Å; Q509-L524 HydrophobicContact CG-CD1 4.27Å; L514-L524 HydrophobicContact CD1-CD1 4.33Å; V520-L524 HydrophobicContact CG1-CD1 4.01Å; V520-L524 HydrophobicContact CG1-CG 4.39Å; V520-L524 WeakPolarHBondContact O-CG 3.48Å; V520-L524 PolarHBondContact O-N 3.06Å; C521-L524 PolarHBondContact O-N 2.93Å; Q522-L524 PolarHBondContact O-N 3.46Å; L524-T527 PolarHBondContact O-N 3.49Å; L524-R528 WeakPolarHBondContact O-CG 3.49Å; L524-R528 PolarHBondContact O-N 3.33Å |
| 525 | A | 85.8 | Confident | 82.1 | Confident | 37 Ų | 37 | 52.6 Ų | 52.6 | 31% | 0.306 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.5 | -44.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | C521 Q522 R528 K529 | C521-A525 VanDerWaalsContact O-CB 3.27Å; C521-A525 WeakPolarHBondContact O-CB 3.38Å; C521-A525 PolarHBondContact O-N 3.12Å; Q522-A525 PolarHBondContact O-N 3.4Å; A525-R528 PolarHBondContact O-N 3.41Å; A525-K529 VanDerWaalsContact O-CB 3.32Å; A525-K529 WeakPolarHBondContact O-CB 3.47Å; A525-K529 PolarHBondContact O-N 2.98Å |
| 526 | D | 87.4 | Confident | 83.1 | Confident | 41 Ų | 41 | 49.3 Ų | 49.3 | 22% | 0.219 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.1 | -40.5 | 177.5 | -71.3 | -25.7 | 0 | 0 | 0 | 111.3 | Q522 K529 F530 | Q522-D526 PolarHBondContact NE2-OD1 2.91Å; Q522-D526 PolarHBondContact NE2-OD2 3.49Å; Q522-D526 VanDerWaalsContact NE2-OD2 3.15Å; Q522-D526 WeakPolarHBondContact O-CB 3.35Å; Q522-D526 VanDerWaalsContact O-CG 3.25Å; Q522-D526 PolarHBondContact O-N 2.88Å; D526-K529 WeakPolarHBondContact O-CB 3.45Å; D526-K529 PolarHBondContact O-N 3.41Å; D526-F530 HydrophobicContact CB-CE2 4.3Å; D526-F530 WeakPolarHBondContact O-CD2 3.32Å; D526-F530 WeakPolarHBondContact O-CG 3.44Å; D526-F530 PolarHBondContact O-N 3.08Å |
| 527 | T | 88.3 | Confident | 84.1 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.6 | -46.1 | 176.3 | -54.5 | 0 | 0 | 0 | 0 | 111.6 | R449 M450 I483 L505 F523 L524 K529 F530 L531 | R449-T527 WeakPolarHBondContact CB-OG1 3.28Å; M450-T527 HydrophobicContact CE-CG2 3.62Å; M450-T527 WeakPolarHBondContact CE-OG1 3.34Å; M450-T527 HydrophobicContact CG-CG2 3.79Å; M450-T527 HydrophobicContact SD-CG2 4.12Å; I483-T527 HydrophobicContact CD1-CG2 4.13Å; L505-T527 HydrophobicContact CD1-CG2 3.9Å; F523-T527 WeakPolarHBondContact O-CB 3.4Å; F523-T527 PolarHBondContact O-N 3.18Å; F523-T527 PolarHBondContact O-OG1 3.37Å; L524-T527 PolarHBondContact O-N 3.49Å; T527-K529 VanDerWaalsContact C-N 3.27Å; T527-K529 PolarHBondContact O-N 3.47Å; T527-F530 PolarHBondContact O-N 3.03Å; T527-L531 HydrophobicContact CG2-CD1 4.26Å; T527-L531 HydrophobicContact CG2-CG 4.48Å; T527-L531 WeakPolarHBondContact O-CG 3.47Å; T527-L531 PolarHBondContact O-N 3.38Å |
| 528 | R | 89.3 | Confident | 84.5 | Confident | 39 Ų | 39 | 42.8 Ų | 42.8 | 15% | 0.147 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.4 | -41.9 | 172.9 | -74.2 | -174.3 | -60 | -142 | -7.4 | 111.2 | I502 L505 L524 A525 F530 L531 H532 | I502-R528 HydrophobicContact CG2-CG 4.38Å; L505-R528 HydrophobicContact CB-CG 3.96Å; L505-R528 HydrophobicContact CD1-CG 4.05Å; L524-R528 WeakPolarHBondContact O-CG 3.49Å; L524-R528 PolarHBondContact O-N 3.33Å; A525-R528 PolarHBondContact O-N 3.41Å; R528-F530 PolarHBondContact O-N 2.89Å; R528-L531 PolarHBondContact O-N 3.3Å; R528-H532 WeakPolarHBondContact O-CB 3.31Å; R528-H532 PolarHBondContact O-CD2 3.38Å; R528-H532 PolarHBondContact O-N 3.45Å |
| 529 | K | 89.8 | Confident | 84.9 | Confident | 117 Ų | 117 | 40.3 Ų | 40.3 | 51% | 0.509 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -58.5 | -47 | 175.5 | -175.6 | -178.4 | 177.6 | -177.2 | 0 | 111.2 | A525 D526 T527 H532 Q533 | A525-K529 VanDerWaalsContact O-CB 3.32Å; A525-K529 WeakPolarHBondContact O-CB 3.47Å; A525-K529 PolarHBondContact O-N 2.98Å; D526-K529 WeakPolarHBondContact O-CB 3.45Å; D526-K529 PolarHBondContact O-N 3.41Å; T527-K529 VanDerWaalsContact C-N 3.27Å; T527-K529 PolarHBondContact O-N 3.47Å; K529-H532 PolarHBondContact O-N 3.24Å; K529-Q533 VanDerWaalsContact O-CG 3.31Å; K529-Q533 WeakPolarHBondContact O-CG 3.35Å; K529-Q533 PolarHBondContact O-N 2.94Å |
| 530 | F | 90.4 | Very high | 85.3 | Confident | 36 Ų | 36 | 35.3 Ų | 35.3 | 16% | 0.158 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.9 | -43.1 | 175.9 | -64.8 | -47.6 | 0 | 0 | 0 | 112.3 | Y442 E445 R449 D526 T527 R528 H532 Q533 M534 | Y442-F530 AromaticContact CD1-CD1 3.7Å; Y442-F530 HydrophobicContact CD1-CD1 3.7Å; Y442-F530 HydrophobicContact CD1-CE1 4.26Å; Y442-F530 HydrophobicContact CE1-CD1 4.34Å; E445-F530 HydrophobicContact CB-CD1 4.41Å; E445-F530 HydrophobicContact CB-CD2 3.94Å; E445-F530 HydrophobicContact CB-CE1 4.23Å; E445-F530 HydrophobicContact CB-CE2 3.75Å; E445-F530 HydrophobicContact CB-CG 4.28Å; E445-F530 HydrophobicContact CB-CZ 3.9Å; E445-F530 HydrophobicContact CG-CZ 4.4Å; R449-F530 HydrophobicContact CG-CE2 4.14Å; D526-F530 HydrophobicContact CB-CE2 4.3Å; D526-F530 WeakPolarHBondContact O-CD2 3.32Å; D526-F530 WeakPolarHBondContact O-CG 3.44Å; D526-F530 PolarHBondContact O-N 3.08Å; T527-F530 PolarHBondContact O-N 3.03Å; R528-F530 PolarHBondContact O-N 2.89Å; F530-H532 PolarHBondContact O-N 2.74Å; F530-Q533 PolarHBondContact O-N 3.28Å; F530-M534 WeakPolarHBondContact O-CG 3.35Å; F530-M534 PolarHBondContact O-N 3.31Å |
| 531 | L | 88.3 | Confident | 85.6 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64 | -39.7 | 176.4 | -65.6 | 174.2 | 0 | 0 | 0 | 112.4 | I483 T498 L501 I502 L505 T527 R528 M534 I535 | I483-L531 HydrophobicContact CD1-CD1 4.46Å; I483-L531 HydrophobicContact CD1-CD2 4.13Å; I483-L531 HydrophobicContact CG1-CD2 4.01Å; I483-L531 HydrophobicContact CG2-CD2 4.35Å; T498-L531 HydrophobicContact CG2-CB 3.71Å; T498-L531 HydrophobicContact CG2-CD2 3.92Å; T498-L531 HydrophobicContact CG2-CG 4.33Å; T498-L531 WeakPolarHBondContact CG2-O 3.37Å; L501-L531 HydrophobicContact CB-CD1 4.14Å; I502-L531 HydrophobicContact CD1-CB 3.83Å; I502-L531 HydrophobicContact CG1-CB 3.62Å; I502-L531 HydrophobicContact CG1-CD1 3.93Å; I502-L531 HydrophobicContact CG1-CG 4.45Å; L505-L531 HydrophobicContact CD1-CD1 3.62Å; T527-L531 HydrophobicContact CG2-CD1 4.26Å; T527-L531 HydrophobicContact CG2-CG 4.48Å; T527-L531 WeakPolarHBondContact O-CG 3.47Å; T527-L531 PolarHBondContact O-N 3.38Å; R528-L531 PolarHBondContact O-N 3.3Å; L531-M534 HydrophobicContact CD2-SD 4.02Å; L531-M534 WeakPolarHBondContact O-CB 3.46Å; L531-M534 PolarHBondContact O-N 2.94Å; L531-I535 PolarHBondContact O-N 2.89Å; L531-I535 VanDerWaalsContact O-N 3.11Å |
| 532 | H | 88.5 | Confident | 86 | Confident | 82 Ų | 82 | 46.3 Ų | 46.3 | 38% | 0.38 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -62.2 | -42.4 | 171.9 | -79.3 | -64.4 | 0 | 0 | 0 | 111.9 | R528 K529 F530 M534 I535 R536 | R528-H532 WeakPolarHBondContact O-CB 3.31Å; R528-H532 PolarHBondContact O-CD2 3.38Å; R528-H532 PolarHBondContact O-N 3.45Å; K529-H532 PolarHBondContact O-N 3.24Å; F530-H532 PolarHBondContact O-N 2.74Å; H532-M534 VanDerWaalsContact C-N 3.32Å; H532-M534 PolarHBondContact O-N 3Å; H532-I535 PolarHBondContact O-N 3.33Å; H532-R536 WeakPolarHBondContact O-CG 3.34Å; H532-R536 PolarHBondContact O-N 2.94Å |
| 533 | Q | 86.8 | Confident | 86.3 | Confident | 19 Ų | 19 | 47.3 Ų | 47.3 | 9% | 0.089 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.4 | -33.5 | 176 | -64.8 | -63.1 | -1.5 | 0 | 0 | 112.2 | E353 Y442 K529 F530 R536 T537 | E353-Q533 PolarHBondContact OE1-NE2 2.97Å; Y442-Q533 HydrophobicContact CD2-CB 3.72Å; Y442-Q533 HydrophobicContact CE2-CB 3.68Å; Y442-Q533 HydrophobicContact CG-CB 4.18Å; K529-Q533 VanDerWaalsContact O-CG 3.31Å; K529-Q533 WeakPolarHBondContact O-CG 3.35Å; K529-Q533 PolarHBondContact O-N 2.94Å; F530-Q533 PolarHBondContact O-N 3.28Å; Q533-R536 VanDerWaalsContact NE2-NH1 3.18Å; Q533-R536 PolarHBondContact O-N 3.39Å; Q533-T537 VanDerWaalsContact O-CB 3.31Å; Q533-T537 WeakPolarHBondContact O-CB 3.43Å; Q533-T537 PolarHBondContact O-N 3.48Å; Q533-T537 PolarHBondContact O-OG1 3.41Å |
| 534 | M | 87.6 | Confident | 86.6 | Confident | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.3 | -43.6 | 171.7 | -71.4 | 176.1 | 69.5 | 0 | 0 | 111.9 | W439 K443 L486 F530 L531 H532 T537 I538 | W439-M534 HydrophobicContact CD2-CE 4.09Å; W439-M534 VanDerWaalsContact CE2-CE 3.47Å; W439-M534 HydrophobicContact CH2-CE 4.1Å; W439-M534 HydrophobicContact CZ2-CE 3.48Å; W439-M534 VanDerWaalsContact CZ2-CE 3.48Å; K443-M534 VanDerWaalsContact CA-SD 3.58Å; K443-M534 HydrophobicContact CB-CE 3.62Å; K443-M534 HydrophobicContact CB-SD 3.98Å; K443-M534 HydrophobicContact CD-CE 4.47Å; K443-M534 HydrophobicContact CG-CE 4Å; L486-M534 HydrophobicContact CD1-CE 3.72Å; F530-M534 WeakPolarHBondContact O-CG 3.35Å; F530-M534 PolarHBondContact O-N 3.31Å; L531-M534 HydrophobicContact CD2-SD 4.02Å; L531-M534 WeakPolarHBondContact O-CB 3.46Å; L531-M534 PolarHBondContact O-N 2.94Å; H532-M534 VanDerWaalsContact C-N 3.32Å; H532-M534 PolarHBondContact O-N 3Å; M534-T537 PolarHBondContact O-N 3.37Å; M534-I538 WeakPolarHBondContact O-CB 3.5Å; M534-I538 PolarHBondContact O-N 3Å |
| 535 | I | 84.6 | Confident | 87 | Confident | 32 Ų | 32 | 48.1 Ų | 48.1 | 16% | 0.164 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.1 | -44.8 | 175.9 | -66.3 | 168.7 | 0 | 0 | 0 | 111 | T498 V499 I502 L531 H532 T537 I538 N539 | T498-I535 HydrophobicContact CG2-CD1 3.81Å; T498-I535 HydrophobicContact CG2-CG1 3.69Å; V499-I535 HydrophobicContact CG2-CD1 3.62Å; I502-I535 HydrophobicContact CD1-CD1 3.72Å; L531-I535 PolarHBondContact O-N 2.89Å; L531-I535 VanDerWaalsContact O-N 3.11Å; H532-I535 PolarHBondContact O-N 3.33Å; I535-T537 VanDerWaalsContact C-N 3.34Å; I535-T537 PolarHBondContact O-N 3.28Å; I535-I538 WeakPolarHBondContact O-CG2 3.49Å; I535-I538 PolarHBondContact O-N 3.47Å; I535-N539 PolarHBondContact O-N 2.89Å; I535-N539 PolarHBondContact O-ND2 3.17Å |
| 536 | R | 84.1 | Confident | 87.2 | Confident | 63 Ų | 63 | 50.9 Ų | 50.9 | 24% | 0.238 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.6 | -46 | 177 | -75.5 | 176.7 | 170.6 | 157.9 | -1.4 | 111.6 | L356 D357 H532 Q533 N539 | L356-R536 HydrophobicContact CD1-CB 4.03Å; D357-R536 IonicContact OD1-CZ 3.37Å; D357-R536 IonicContact OD1-NE 2.73Å; D357-R536 PolarHBondContact OD1-NE 2.98Å; D357-R536 IonicContact OD1-NH2 3.59Å; D357-R536 PolarHBondContact OD1-NH2 3.39Å; D357-R536 IonicContact OD2-CZ 3.24Å; D357-R536 IonicContact OD2-NE 2.73Å; D357-R536 IonicContact OD2-NH2 3.35Å; D357-R536 PolarHBondContact OD2-NH2 2.94Å; H532-R536 WeakPolarHBondContact O-CG 3.34Å; H532-R536 PolarHBondContact O-N 2.94Å; Q533-R536 VanDerWaalsContact NE2-NH1 3.18Å; Q533-R536 PolarHBondContact O-N 3.39Å; R536-N539 PolarHBondContact O-N 3.06Å |
| 537 | T | 84.9 | Confident | 87.4 | Confident | 4 Ų | 4 | 49.8 Ų | 49.8 | 3% | 0.025 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.2 | -42.1 | -178.4 | -54.1 | 0 | 0 | 0 | 0 | 111.6 | K435 K438 W439 Q533 M534 I535 N539 I540 | K435-T537 VanDerWaalsContact CE-O 3.22Å; K435-T537 WeakPolarHBondContact CE-O 3.34Å; K435-T537 HydrophobicContact CG-CG2 3.92Å; K435-T537 VanDerWaalsContact O-CG2 3.23Å; K435-T537 WeakPolarHBondContact O-CG2 3.09Å; K438-T537 HydrophobicContact CB-CG2 4.31Å; W439-T537 HydrophobicContact CB-CG2 4.08Å; Q533-T537 VanDerWaalsContact O-CB 3.31Å; Q533-T537 WeakPolarHBondContact O-CB 3.43Å; Q533-T537 PolarHBondContact O-N 3.48Å; Q533-T537 PolarHBondContact O-OG1 3.41Å; M534-T537 PolarHBondContact O-N 3.37Å; I535-T537 VanDerWaalsContact C-N 3.34Å; I535-T537 PolarHBondContact O-N 3.28Å; T537-N539 VanDerWaalsContact C-N 3.28Å; T537-N539 PolarHBondContact O-N 2.87Å; T537-I540 HydrophobicContact CG2-CD1 4.36Å; T537-I540 WeakPolarHBondContact O-CD1 3.28Å; T537-I540 WeakPolarHBondContact O-CG1 3.35Å; T537-I540 PolarHBondContact O-N 3Å |
| 538 | I | 84.1 | Confident | 87.6 | Confident | 9 Ų | 9 | 50 Ų | 50 | 5% | 0.046 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -68 | -29.6 | -177.2 | -143.6 | 166.8 | 0 | 0 | 0 | 112.6 | K435 W439 A494 M534 I535 I540 | K435-I538 WeakPolarHBondContact CE-O 3.42Å; K435-I538 PolarHBondContact NZ-O 3.01Å; W439-I538 HydrophobicContact CZ2-CD1 4.33Å; A494-I538 HydrophobicContact CB-CD1 4.12Å; M534-I538 WeakPolarHBondContact O-CB 3.5Å; M534-I538 PolarHBondContact O-N 3Å; I535-I538 WeakPolarHBondContact O-CG2 3.49Å; I535-I538 PolarHBondContact O-N 3.47Å; I538-I540 VanDerWaalsContact C-N 3.3Å; I538-I540 PolarHBondContact O-N 3.42Å |
| 539 | N | 80.8 | Confident | 87.7 | Confident | 99 Ų | 99 | 51.5 Ų | 51.5 | 53% | 0.529 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -4.4 | 179.7 | -77.4 | -25 | 0 | 0 | 0 | 114.8 | I535 R536 T537 K541 | I535-N539 PolarHBondContact O-N 2.89Å; I535-N539 PolarHBondContact O-ND2 3.17Å; R536-N539 PolarHBondContact O-N 3.06Å; T537-N539 VanDerWaalsContact C-N 3.28Å; T537-N539 PolarHBondContact O-N 2.87Å; N539-K541 PolarHBondContact O-N 3.14Å |
| 540 | I | 85 | Confident | 87.7 | Confident | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | trans | -67.5 | 117.1 | 174 | -58 | 162.4 | 0 | 0 | 0 | 108.7 | L356 F428 M431 L432 K435 T537 I538 | L356-I540 HydrophobicContact CD2-CD1 4.2Å; L356-I540 HydrophobicContact CD2-CG1 3.61Å; F428-I540 HydrophobicContact CD1-CG2 4.22Å; F428-I540 HydrophobicContact CE1-CG2 4.48Å; M431-I540 HydrophobicContact CB-CD1 3.9Å; M431-I540 HydrophobicContact SD-CD1 4.49Å; L432-I540 HydrophobicContact CD2-CG2 3.6Å; L432-I540 HydrophobicContact CG-CG2 3.71Å; K435-I540 HydrophobicContact CD-CB 4.34Å; K435-I540 PolarHBondContact NZ-O 3.41Å; T537-I540 HydrophobicContact CG2-CD1 4.36Å; T537-I540 WeakPolarHBondContact O-CD1 3.28Å; T537-I540 WeakPolarHBondContact O-CG1 3.35Å; T537-I540 PolarHBondContact O-N 3Å; I538-I540 VanDerWaalsContact C-N 3.3Å; I538-I540 PolarHBondContact O-N 3.42Å | ||
| 541 | K | 84.9 | Confident | 87.8 | Confident | 118 Ų | 118 | 46.8 Ų | 46.8 | 51% | 0.513 | 23% | 0.225 | S | C | . | . | trans | -112.5 | 141.1 | -178.1 | -65.7 | -178.7 | 179.8 | -173.5 | 0 | 111.6 | N539 E543 V544 | N539-K541 PolarHBondContact O-N 3.14Å; K541-E543 HydrophobicContact CB-CB 4.31Å; K541-E543 PolarHBondContact O-N 3.42Å; K541-V544 HydrophobicContact CB-CG2 4.45Å; K541-V544 WeakPolarHBondContact O-CB 3.5Å; K541-V544 PolarHBondContact O-N 2.89Å | ||
| 542 | E | 87.3 | Confident | 88 | Confident | 139 Ų | 139 | 46.8 Ų | 46.8 | 65% | 0.65 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -30.3 | 172.3 | -172.3 | 172.5 | -171.8 | 0 | 0 | 112.4 | V544 L545 I546 | E542-V544 PolarHBondContact O-N 3.48Å; E542-L545 WeakPolarHBondContact O-CA 3.35Å; E542-L545 WeakPolarHBondContact O-CB 3.4Å; E542-L545 PolarHBondContact O-N 3Å; E542-I546 PolarHBondContact O-N 3.03Å |
| 543 | E | 88 | Confident | 88.1 | Confident | 123 Ų | 123 | 44.6 Ų | 44.6 | 58% | 0.575 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -51.6 | -30.2 | 174.8 | -172.2 | -178.1 | -173.7 | 0 | 0 | 113.5 | K541 I546 T547 | K541-E543 HydrophobicContact CB-CB 4.31Å; K541-E543 PolarHBondContact O-N 3.42Å; E543-I546 PolarHBondContact O-N 3.48Å; E543-T547 WeakPolarHBondContact O-CB 3.46Å; E543-T547 PolarHBondContact O-N 2.87Å; E543-T547 PolarHBondContact O-OG1 3.28Å |
| 544 | V | 90 | Very high | 88.3 | Confident | 16 Ų | 16 | 43.7 Ų | 43.7 | 10% | 0.097 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.2 | -41.8 | 175.8 | 176.2 | 0 | 0 | 0 | 0 | 111 | I359 L363 F428 K541 E542 T547 M548 | I359-V544 HydrophobicContact CG2-CG1 4.2Å; I359-V544 HydrophobicContact CG2-CG2 4.13Å; L363-V544 HydrophobicContact CD1-CG1 4.36Å; L363-V544 HydrophobicContact CD2-CG1 4.33Å; F428-V544 HydrophobicContact CD1-CG1 4.26Å; F428-V544 HydrophobicContact CD2-CG1 4.46Å; F428-V544 HydrophobicContact CE1-CB 4.43Å; F428-V544 HydrophobicContact CE1-CG1 3.94Å; F428-V544 HydrophobicContact CE2-CG1 4.14Å; F428-V544 HydrophobicContact CZ-CG1 3.88Å; K541-V544 HydrophobicContact CB-CG2 4.45Å; K541-V544 WeakPolarHBondContact O-CB 3.5Å; K541-V544 PolarHBondContact O-N 2.89Å; E542-V544 PolarHBondContact O-N 3.48Å; V544-T547 PolarHBondContact O-N 2.65Å; V544-M548 HydrophobicContact CG1-CE 3.56Å; V544-M548 WeakPolarHBondContact O-CG 3.41Å; V544-M548 PolarHBondContact O-N 2.82Å |
| 545 | L | 90.9 | Very high | 88.5 | Confident | 34 Ų | 34 | 44 Ų | 44 | 18% | 0.178 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67.6 | -40.4 | 175.5 | -72 | -178.4 | 0 | 0 | 0 | 111.5 | K425 F428 K429 L432 E542 T547 M548 Q549 | K425-L545 HydrophobicContact CG-CD2 4.5Å; F428-L545 HydrophobicContact CB-CD2 3.67Å; F428-L545 HydrophobicContact CB-CG 4.27Å; K429-L545 HydrophobicContact CG-CD1 4.05Å; L432-L545 HydrophobicContact CD1-CD1 3.4Å; L432-L545 VanDerWaalsContact CD1-CD1 3.4Å; L432-L545 HydrophobicContact CD1-CG 4.07Å; E542-L545 WeakPolarHBondContact O-CA 3.35Å; E542-L545 WeakPolarHBondContact O-CB 3.4Å; E542-L545 PolarHBondContact O-N 3Å; L545-T547 VanDerWaalsContact C-N 3.32Å; L545-T547 PolarHBondContact O-N 3.45Å; L545-M548 PolarHBondContact O-N 3.36Å; L545-Q549 PolarHBondContact O-N 2.98Å |
| 546 | I | 90.8 | Very high | 88.9 | Confident | 94 Ų | 94 | 42.7 Ų | 42.7 | 48% | 0.482 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -59.4 | -46.1 | 175.2 | -60.2 | 174.2 | 0 | 0 | 0 | 109.9 | E542 E543 M548 Q549 I550 | E542-I546 PolarHBondContact O-N 3.03Å; E543-I546 PolarHBondContact O-N 3.48Å; I546-M548 PolarHBondContact O-N 3.1Å; I546-Q549 WeakPolarHBondContact O-CB 3.35Å; I546-Q549 PolarHBondContact O-N 3.25Å; I546-Q549 VanDerWaalsContact O-N 3.11Å; I546-I550 HydrophobicContact CG2-CD1 3.95Å; I546-I550 WeakPolarHBondContact O-CG1 3.47Å; I546-I550 PolarHBondContact O-N 3.32Å |
| 547 | T | 92.3 | Very high | 89.3 | Confident | 19 Ų | 19 | 39.7 Ų | 39.7 | 12% | 0.117 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.7 | -45 | 176.1 | -58 | 0 | 0 | 0 | 0 | 111.6 | A240 L363 E543 V544 L545 Q549 I550 V551 | A240-T547 HydrophobicContact CB-CG2 4.42Å; L363-T547 HydrophobicContact CD2-CG2 4.42Å; E543-T547 WeakPolarHBondContact O-CB 3.46Å; E543-T547 PolarHBondContact O-N 2.87Å; E543-T547 PolarHBondContact O-OG1 3.28Å; V544-T547 PolarHBondContact O-N 2.65Å; L545-T547 VanDerWaalsContact C-N 3.32Å; L545-T547 PolarHBondContact O-N 3.45Å; T547-Q549 VanDerWaalsContact C-N 3.26Å; T547-Q549 PolarHBondContact O-N 2.89Å; T547-I550 PolarHBondContact O-N 3.47Å; T547-V551 HydrophobicContact CG2-CG2 4.27Å; T547-V551 WeakPolarHBondContact O-CB 3.4Å; T547-V551 VanDerWaalsContact O-CG2 3.26Å; T547-V551 WeakPolarHBondContact O-CG2 3.36Å; T547-V551 PolarHBondContact O-N 3.16Å |
| 548 | M | 92.6 | Very high | 89.7 | Confident | 4 Ų | 4 | 41.5 Ų | 41.5 | 2% | 0.02 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.5 | -28.4 | 176.7 | -69.6 | 177.4 | -171.8 | 0 | 0 | 112.9 | L363 L366 L424 K425 F428 V544 L545 I546 G552 | L363-M548 HydrophobicContact CD2-CE 3.6Å; L363-M548 HydrophobicContact CD2-CG 3.73Å; L366-M548 HydrophobicContact CD1-CE 4.47Å; L366-M548 HydrophobicContact CD1-CG 4.16Å; L424-M548 HydrophobicContact CD2-CE 3.37Å; L424-M548 HydrophobicContact CD2-SD 4.27Å; L424-M548 HydrophobicContact CG-CE 3.63Å; L424-M548 HydrophobicContact CG-SD 4.28Å; K425-M548 HydrophobicContact CG-CB 4.35Å; K425-M548 HydrophobicContact CG-SD 4.01Å; K425-M548 PolarHBondContact NZ-O 3.08Å; F428-M548 HydrophobicContact CD2-CE 3.86Å; F428-M548 HydrophobicContact CE2-CE 3.82Å; V544-M548 HydrophobicContact CG1-CE 3.56Å; V544-M548 WeakPolarHBondContact O-CG 3.41Å; V544-M548 PolarHBondContact O-N 2.82Å; L545-M548 PolarHBondContact O-N 3.36Å; I546-M548 PolarHBondContact O-N 3.1Å; M548-G552 WeakPolarHBondContact O-CA 3.4Å; M548-G552 PolarHBondContact O-N 3.21Å |
| 549 | Q | 90.1 | Very high | 90 | Very high | 71 Ų | 71 | 44.6 Ų | 44.6 | 33% | 0.332 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -72.3 | -48.1 | 175.2 | -169 | 66.2 | 4.5 | 0 | 0 | 111.2 | K425 L545 I546 T547 G552 D553 D594 | K425-Q549 VanDerWaalsContact NZ-OE1 3.11Å; L545-Q549 PolarHBondContact O-N 2.98Å; I546-Q549 WeakPolarHBondContact O-CB 3.35Å; I546-Q549 PolarHBondContact O-N 3.25Å; I546-Q549 VanDerWaalsContact O-N 3.11Å; T547-Q549 VanDerWaalsContact C-N 3.26Å; T547-Q549 PolarHBondContact O-N 2.89Å; Q549-G552 PolarHBondContact O-N 2.95Å; Q549-D553 PolarHBondContact O-N 2.93Å; Q549-D594 PolarHBondContact NE2-OD2 2.71Å |
| 550 | I | 90.8 | Very high | 90.5 | Very high | 49 Ų | 49 | 40.5 Ų | 40.5 | 25% | 0.251 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -60.4 | -49.8 | 178.2 | -64.9 | 167.5 | 0 | 0 | 0 | 110.5 | Q237 A240 Y241 I546 T547 G552 D553 | Q237-I550 HydrophobicContact CG-CG2 4.22Å; A240-I550 HydrophobicContact CB-CB 4.32Å; A240-I550 HydrophobicContact CB-CD1 4.16Å; A240-I550 HydrophobicContact CB-CG2 3.94Å; Y241-I550 HydrophobicContact CE2-CG2 4.06Å; I546-I550 HydrophobicContact CG2-CD1 3.95Å; I546-I550 WeakPolarHBondContact O-CG1 3.47Å; I546-I550 PolarHBondContact O-N 3.32Å; T547-I550 PolarHBondContact O-N 3.47Å; I550-G552 VanDerWaalsContact C-N 3.26Å; I550-G552 PolarHBondContact O-N 2.91Å; I550-D553 PolarHBondContact O-N 3.08Å |
| 551 | V | 92.8 | Very high | 90.8 | Very high | 4 Ų | 4 | 40.7 Ų | 40.7 | 2% | 0.024 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -70.5 | -26.2 | -177.7 | 176.4 | 0 | 0 | 0 | 0 | 112.3 | Y241 R367 N370 T547 D553 | Y241-V551 HydrophobicContact CE1-CG1 4.4Å; Y241-V551 HydrophobicContact CE1-CG2 4.06Å; Y241-V551 HydrophobicContact CE2-CG2 4.22Å; Y241-V551 WeakPolarHBondContact OH-CA 3.22Å; R367-V551 HydrophobicContact CB-CG1 4.24Å; R367-V551 HydrophobicContact CG-CB 4.49Å; R367-V551 HydrophobicContact CG-CG1 3.8Å; R367-V551 HydrophobicContact CG-CG2 3.83Å; N370-V551 HydrophobicContact CB-CG1 4.12Å; N370-V551 WeakPolarHBondContact CB-O 3.46Å; N370-V551 PolarHBondContact ND2-O 2.88Å; T547-V551 HydrophobicContact CG2-CG2 4.27Å; T547-V551 WeakPolarHBondContact O-CB 3.4Å; T547-V551 VanDerWaalsContact O-CG2 3.26Å; T547-V551 WeakPolarHBondContact O-CG2 3.36Å; T547-V551 PolarHBondContact O-N 3.16Å; V551-D553 VanDerWaalsContact C-N 3.3Å; V551-D553 PolarHBondContact O-N 3.47Å |
| 552 | G | 91.3 | Very high | 91.1 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.01 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -1.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | M548 Q549 I550 L554 K588 | M548-G552 WeakPolarHBondContact O-CA 3.4Å; M548-G552 PolarHBondContact O-N 3.21Å; Q549-G552 PolarHBondContact O-N 2.95Å; I550-G552 VanDerWaalsContact C-N 3.26Å; I550-G552 PolarHBondContact O-N 2.91Å; G552-L554 PolarHBondContact O-N 2.89Å; G552-K588 PolarHBondContact O-NZ 3.2Å |
| 553 | D | 90.1 | Very high | 91.2 | Very high | 36 Ų | 36 | 35.7 Ų | 35.7 | 19% | 0.193 | 19% | 0.185 | C | C | . | . | trans | -55.5 | 128.6 | -178.1 | 176.4 | 47 | 0 | 0 | 0 | 112.3 | R374 Q549 I550 V551 S555 F556 | R374-D553 IonicContact NH1-OD2 2.67Å; Q549-D553 PolarHBondContact O-N 2.93Å; I550-D553 PolarHBondContact O-N 3.08Å; V551-D553 VanDerWaalsContact C-N 3.3Å; V551-D553 PolarHBondContact O-N 3.47Å; D553-S555 WeakPolarHBondContact OD1-CB 3.42Å; D553-S555 PolarHBondContact OD1-N 3.34Å; D553-S555 PolarHBondContact OD1-OG 3.14Å; D553-S555 VanDerWaalsContact OD1-OG 3.08Å; D553-S555 PolarHBondContact OD2-OG 3.08Å; D553-F556 WeakPolarHBondContact O-CE1 3.34Å | ||
| 554 | L | 92.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.159 | C | C | . | . | trans | -124.2 | 14.3 | -179.7 | -162.6 | 58.5 | 0 | 0 | 0 | 111.6 | L414 G552 F556 A557 K588 L589 | L414-L554 HydrophobicContact CD1-CD1 4.43Å; L414-L554 HydrophobicContact CD1-CD2 4.3Å; G552-L554 PolarHBondContact O-N 2.89Å; L554-F556 HydrophobicContact CD1-CE1 3.9Å; L554-F556 HydrophobicContact CD1-CE2 4.39Å; L554-F556 HydrophobicContact CD1-CZ 3.66Å; L554-F556 PolarHBondContact O-N 2.94Å; L554-A557 HydrophobicContact CD1-CB 3.62Å; L554-A557 HydrophobicContact CG-CB 3.85Å; L554-A557 WeakPolarHBondContact O-CB 3.36Å; L554-A557 PolarHBondContact O-N 3.14Å; L554-K588 HydrophobicContact CB-CG 4.28Å; L554-K588 HydrophobicContact CD2-CB 4.34Å; L554-K588 HydrophobicContact CD2-CD 3.99Å; L554-K588 HydrophobicContact CD2-CG 3.81Å; L554-L589 HydrophobicContact CD2-CD2 3.51Å; L554-L589 HydrophobicContact CD2-CG 3.77Å; L554-L589 HydrophobicContact CG-CD2 3.88Å | ||
| 555 | S | 91.9 | Very high | 91.7 | Very high | 6 Ų | 6 | 29.6 Ų | 29.6 | 4% | 0.042 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -55.7 | -35.3 | -179.8 | 65.4 | 0 | 0 | 0 | 0 | 113.8 | M294 G295 D553 A557 W558 | M294-S555 CarbonylContact C-O 3.42Å; G295-S555 PolarHBondContact N-O 3.5Å; G295-S555 VanDerWaalsContact N-O 3.15Å; D553-S555 WeakPolarHBondContact OD1-CB 3.42Å; D553-S555 PolarHBondContact OD1-N 3.34Å; D553-S555 PolarHBondContact OD1-OG 3.14Å; D553-S555 VanDerWaalsContact OD1-OG 3.08Å; D553-S555 PolarHBondContact OD2-OG 3.08Å; S555-A557 PolarHBondContact O-N 2.97Å; S555-W558 WeakPolarHBondContact O-CB 3.4Å; S555-W558 PolarHBondContact O-N 3.28Å |
| 556 | F | 92.5 | Very high | 91.8 | Very high | 5 Ų | 5 | 32.2 Ų | 32.2 | 2% | 0.022 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -64.2 | -22.3 | 176.9 | 70.6 | -89.8 | 0 | 0 | 0 | 113.6 | G295 I373 R374 M377 L378 D553 L554 | G295-F556 WeakPolarHBondContact CA-O 3.41Å; I373-F556 HydrophobicContact CG2-CZ 4.47Å; R374-F556 VanDerWaalsContact CA-CZ 3.43Å; R374-F556 HydrophobicContact CB-CE1 3.86Å; R374-F556 HydrophobicContact CB-CE2 4.04Å; R374-F556 HydrophobicContact CB-CZ 3.61Å; R374-F556 HydrophobicContact CG-CD1 3.98Å; R374-F556 HydrophobicContact CG-CD2 4.08Å; R374-F556 HydrophobicContact CG-CE1 3.85Å; R374-F556 HydrophobicContact CG-CE2 4Å; R374-F556 HydrophobicContact CG-CG 4.08Å; R374-F556 HydrophobicContact CG-CZ 3.87Å; M377-F556 HydrophobicContact CB-CE2 4.12Å; M377-F556 HydrophobicContact SD-CE2 4.19Å; L378-F556 HydrophobicContact CD1-CD2 4.43Å; L378-F556 HydrophobicContact CD2-CD2 4.41Å; L378-F556 HydrophobicContact CG-CD2 4.18Å; D553-F556 WeakPolarHBondContact O-CE1 3.34Å; L554-F556 HydrophobicContact CD1-CE1 3.9Å; L554-F556 HydrophobicContact CD1-CE2 4.39Å; L554-F556 HydrophobicContact CD1-CZ 3.66Å; L554-F556 PolarHBondContact O-N 2.94Å |
| 557 | A | 92.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -94.8 | -1.1 | -177 | 0 | 0 | 0 | 0 | 0 | 113.2 | M377 L554 S555 Q559 L560 I561 | M377-A557 HydrophobicContact CE-CB 3.43Å; M377-A557 VanDerWaalsContact CE-CB 3.43Å; M377-A557 HydrophobicContact SD-CB 4.17Å; L554-A557 HydrophobicContact CD1-CB 3.62Å; L554-A557 HydrophobicContact CG-CB 3.85Å; L554-A557 WeakPolarHBondContact O-CB 3.36Å; L554-A557 PolarHBondContact O-N 3.14Å; S555-A557 PolarHBondContact O-N 2.97Å; A557-Q559 VanDerWaalsContact C-N 3.28Å; A557-Q559 PolarHBondContact O-N 3.18Å; A557-Q559 VanDerWaalsContact O-N 3.15Å; A557-L560 PolarHBondContact O-N 2.71Å; A557-I561 WeakPolarHBondContact O-CB 3.49Å; A557-I561 PolarHBondContact O-N 3.3Å |
| 558 | W | 92.4 | Very high | 92 | Very high | 43 Ų | 43 | 28 Ų | 28 | 16% | 0.163 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51 | -43.5 | -172.8 | -173.6 | -95.8 | 0 | 0 | 0 | 113.8 | M294 S555 A592 L593 Y615 E618 L619 | M294-W558 HydrophobicContact CB-CB 4.46Å; M294-W558 HydrophobicContact CB-CG 4.33Å; M294-W558 HydrophobicContact CE-CD2 3.52Å; M294-W558 HydrophobicContact CE-CE3 3.62Å; M294-W558 HydrophobicContact CE-CG 3.95Å; M294-W558 HydrophobicContact CE-CH2 4.29Å; M294-W558 HydrophobicContact CE-CZ2 4.23Å; M294-W558 HydrophobicContact CE-CZ3 4.01Å; M294-W558 WeakPolarHBondContact O-CB 3.46Å; S555-W558 WeakPolarHBondContact O-CB 3.4Å; S555-W558 PolarHBondContact O-N 3.28Å; W558-A592 HydrophobicContact CE3-CB 3.99Å; W558-A592 HydrophobicContact CZ3-CB 4.25Å; W558-L593 HydrophobicContact CH2-CD1 3.75Å; W558-L593 HydrophobicContact CH2-CG 4.37Å; W558-L593 HydrophobicContact CZ3-CD1 3.61Å; W558-Y615 HydrophobicContact CH2-CD1 4.48Å; W558-Y615 AromaticContact CZ2-CD1 3.97Å; W558-Y615 HydrophobicContact CZ2-CD1 3.97Å; W558-E618 HydrophobicContact CZ2-CB 3.99Å; W558-L619 HydrophobicContact CH2-CB 3.94Å |
| 559 | Q | 90.3 | Very high | 92.1 | Very high | 73 Ų | 73 | 29.9 Ų | 29.9 | 34% | 0.341 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -30 | 174.2 | -63.6 | -178.3 | 6.2 | 0 | 0 | 112.9 | A557 I561 | A557-Q559 VanDerWaalsContact C-N 3.28Å; A557-Q559 PolarHBondContact O-N 3.18Å; A557-Q559 VanDerWaalsContact O-N 3.15Å; Q559-I561 VanDerWaalsContact C-N 3.32Å; Q559-I561 PolarHBondContact O-N 3.28Å |
| 560 | L | 91.1 | Very high | 92.2 | Very high | 14 Ų | 14 | 29.7 Ų | 29.7 | 7% | 0.073 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -71.8 | -26 | -176.4 | -62.6 | 179.9 | 0 | 0 | 0 | 113 | T297 M377 L378 A381 A557 D562 S563 | T297-L560 HydrophobicContact CG2-CD1 3.95Å; T297-L560 HydrophobicContact CG2-CD2 3.78Å; T297-L560 HydrophobicContact CG2-CG 4.08Å; M377-L560 HydrophobicContact CB-CD1 4.5Å; M377-L560 HydrophobicContact CE-CB 3.88Å; L378-L560 HydrophobicContact CD2-CD1 3.93Å; A381-L560 HydrophobicContact CB-CD1 4.48Å; A381-L560 HydrophobicContact CB-CD2 3.62Å; A557-L560 PolarHBondContact O-N 2.71Å; L560-D562 PolarHBondContact O-N 2.99Å; L560-D562 VanDerWaalsContact O-N 3.13Å; L560-S563 PolarHBondContact O-N 2.95Å; L560-S563 PolarHBondContact O-OG 3.4Å |
| 561 | I | 92.1 | Very high | 92.2 | Very high | 5 Ų | 5 | 29 Ų | 29 | 3% | 0.026 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -60.1 | -27.2 | -178.8 | -161.3 | 74.3 | 0 | 0 | 0 | 112 | L414 A557 Q559 S563 F564 M568 L589 Y622 | L414-I561 HydrophobicContact CD2-CD1 3.67Å; A557-I561 WeakPolarHBondContact O-CB 3.49Å; A557-I561 PolarHBondContact O-N 3.3Å; Q559-I561 VanDerWaalsContact C-N 3.32Å; Q559-I561 PolarHBondContact O-N 3.28Å; I561-S563 PolarHBondContact O-N 3.22Å; I561-S563 VanDerWaalsContact O-N 3.15Å; I561-F564 HydrophobicContact CD1-CD2 4.37Å; I561-F564 WeakPolarHBondContact O-CB 3.42Å; I561-F564 PolarHBondContact O-N 2.87Å; I561-M568 HydrophobicContact CD1-CE 3.93Å; I561-M568 HydrophobicContact CG1-CE 3.94Å; I561-L589 HydrophobicContact CB-CD2 4.46Å; I561-L589 HydrophobicContact CD1-CD1 4.42Å; I561-L589 HydrophobicContact CG1-CD1 3.96Å; I561-L589 HydrophobicContact CG1-CD2 4.46Å; I561-L589 HydrophobicContact CG2-CD1 4.46Å; I561-Y622 HydrophobicContact CG1-CE1 4.09Å; I561-Y622 HydrophobicContact CG2-CD1 4.44Å; I561-Y622 HydrophobicContact CG2-CE1 3.88Å; I561-Y622 HydrophobicContact CG2-CE2 4.16Å; I561-Y622 PolarHBondContact O-OH 3.17Å |
| 562 | D | 91.3 | Very high | 92.1 | Very high | 73 Ų | 73 | 28.8 Ų | 28.8 | 39% | 0.39 | 16% | 0.161 | S | C | . | . | G | 310 helix | trans | -60.4 | -27.8 | -179 | -159.6 | 55.9 | 0 | 0 | 0 | 112.6 | L560 F564 T565 K625 | L560-D562 PolarHBondContact O-N 2.99Å; L560-D562 VanDerWaalsContact O-N 3.13Å; D562-F564 PolarHBondContact O-N 3.32Å; D562-T565 VanDerWaalsContact O-CB 3.28Å; D562-T565 WeakPolarHBondContact O-CB 3.43Å; D562-T565 PolarHBondContact O-N 2.94Å; D562-T565 VanDerWaalsContact O-N 3.08Å; D562-T565 PolarHBondContact O-OG1 3.4Å; D562-T565 PolarHBondContact OD1-OG1 2.9Å; D562-K625 VanDerWaalsContact CG-NZ 3.28Å; D562-K625 IonicContact OD1-NZ 2.8Å; D562-K625 PolarHBondContact OD1-NZ 3.35Å; D562-K625 IonicContact OD2-NZ 2.8Å; D562-K625 PolarHBondContact OD2-NZ 3.25Å; D562-K625 VanDerWaalsContact OD2-NZ 3.1Å |
| 563 | S | 90.5 | Very high | 92.1 | Very high | 79 Ų | 79 | 34.1 Ų | 34.1 | 55% | 0.552 | 18% | 0.18 | S | C | * | . | G | 310 helix | trans | -64.5 | -21.9 | 176.1 | 70.6 | 0 | 0 | 0 | 0 | 113.1 | L560 I561 | L560-S563 PolarHBondContact O-N 2.95Å; L560-S563 PolarHBondContact O-OG 3.4Å; I561-S563 PolarHBondContact O-N 3.22Å; I561-S563 VanDerWaalsContact O-N 3.15Å |
| 564 | F | 92.6 | Very high | 92.2 | Very high | 5 Ų | 5 | 37.8 Ų | 37.8 | 2% | 0.022 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -90.4 | -6.6 | 177.4 | -63.4 | -76.3 | 0 | 0 | 0 | 113.3 | M377 P407 L410 F411 I561 D562 S566 I567 M568 | M377-F564 HydrophobicContact CE-CD2 4.45Å; M377-F564 HydrophobicContact CE-CE2 3.82Å; M377-F564 HydrophobicContact CG-CE2 4.36Å; M377-F564 HydrophobicContact SD-CE2 4.36Å; P407-F564 HydrophobicContact CB-CE1 4.4Å; P407-F564 WeakPolarHBondContact O-CE1 3.5Å; L410-F564 HydrophobicContact CD2-CZ 3.92Å; L410-F564 HydrophobicContact CG-CZ 4.25Å; F411-F564 HydrophobicContact CB-CD1 3.77Å; F411-F564 HydrophobicContact CB-CE1 4.11Å; F411-F564 HydrophobicContact CD2-CB 4.22Å; F411-F564 HydrophobicContact CD2-CD1 4.34Å; F411-F564 HydrophobicContact CD2-CG 4.43Å; F411-F564 HydrophobicContact CG-CD1 4.37Å; I561-F564 HydrophobicContact CD1-CD2 4.37Å; I561-F564 WeakPolarHBondContact O-CB 3.42Å; I561-F564 PolarHBondContact O-N 2.87Å; D562-F564 PolarHBondContact O-N 3.32Å; F564-S566 VanDerWaalsContact C-N 3.32Å; F564-S566 PolarHBondContact O-N 3.31Å; F564-I567 HydrophobicContact CD1-CD1 4.22Å; F564-I567 WeakPolarHBondContact O-CA 3.45Å; F564-I567 WeakPolarHBondContact O-CB 3.48Å; F564-I567 PolarHBondContact O-N 2.8Å; F564-M568 HydrophobicContact CB-CE 4.06Å; F564-M568 WeakPolarHBondContact O-CG 3.48Å; F564-M568 PolarHBondContact O-N 3.18Å |
| 565 | T | 93.9 | Very high | 92 | Very high | 6 Ų | 6 | 41 Ų | 41 | 4% | 0.037 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -52 | -48.5 | -176.6 | -58.8 | 0 | 0 | 0 | 0 | 112.2 | D562 I567 M568 Q569 Y622 K625 V626 | D562-T565 VanDerWaalsContact O-CB 3.28Å; D562-T565 WeakPolarHBondContact O-CB 3.43Å; D562-T565 PolarHBondContact O-N 2.94Å; D562-T565 VanDerWaalsContact O-N 3.08Å; D562-T565 PolarHBondContact O-OG1 3.4Å; D562-T565 PolarHBondContact OD1-OG1 2.9Å; T565-I567 VanDerWaalsContact C-N 3.28Å; T565-I567 PolarHBondContact O-N 3.09Å; T565-M568 WeakPolarHBondContact O-CB 3.1Å; T565-M568 PolarHBondContact O-N 3.4Å; T565-Q569 HydrophobicContact CG2-CG 4.26Å; T565-Q569 WeakPolarHBondContact O-CB 3.07Å; T565-Q569 VanDerWaalsContact O-CG 3.32Å; T565-Q569 WeakPolarHBondContact O-CG 3.07Å; T565-Q569 PolarHBondContact O-N 2.97Å; T565-Y622 WeakPolarHBondContact OG1-CE2 3.39Å; T565-K625 HydrophobicContact CG2-CD 4.44Å; T565-K625 HydrophobicContact CG2-CG 4.43Å; T565-V626 HydrophobicContact CG2-CG2 4.4Å |
| 566 | S | 93.6 | Very high | 91.8 | Very high | 89 Ų | 89 | 41.2 Ų | 41.2 | 62% | 0.622 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -62.9 | -35.6 | -179.6 | -54 | 0 | 0 | 0 | 0 | 112.5 | F564 E570 | F564-S566 VanDerWaalsContact C-N 3.32Å; F564-S566 PolarHBondContact O-N 3.31Å; S566-E570 WeakPolarHBondContact O-CB 3.38Å; S566-E570 PolarHBondContact O-N 2.97Å |
| 567 | I | 93.3 | Very high | 91.4 | Very high | 26 Ų | 26 | 43 Ų | 43 | 13% | 0.133 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -70.9 | -45 | 177.1 | -59.5 | 178.1 | 0 | 0 | 0 | 109.8 | P407 R408 F411 F564 T565 Q569 E570 S571 | P407-I567 HydrophobicContact CB-CD1 3.8Å; P407-I567 HydrophobicContact CG-CD1 4.26Å; R408-I567 HydrophobicContact CG-CD1 4.27Å; R408-I567 HydrophobicContact CG-CG2 4.22Å; F411-I567 HydrophobicContact CB-CG2 4.4Å; F411-I567 HydrophobicContact CD1-CG2 3.6Å; F411-I567 HydrophobicContact CE1-CG2 4.16Å; F411-I567 HydrophobicContact CG-CG2 4.1Å; F564-I567 HydrophobicContact CD1-CD1 4.22Å; F564-I567 WeakPolarHBondContact O-CA 3.45Å; F564-I567 WeakPolarHBondContact O-CB 3.48Å; F564-I567 PolarHBondContact O-N 2.8Å; T565-I567 VanDerWaalsContact C-N 3.28Å; T565-I567 PolarHBondContact O-N 3.09Å; I567-Q569 VanDerWaalsContact C-N 3.34Å; I567-Q569 PolarHBondContact O-N 3.22Å; I567-E570 PolarHBondContact O-N 2.82Å; I567-S571 WeakPolarHBondContact O-CB 3.5Å; I567-S571 PolarHBondContact O-N 2.92Å; I567-S571 PolarHBondContact O-OG 3.12Å |
| 568 | M | 93.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -57 | -48.4 | 175.3 | -66.9 | 176.2 | -180 | 0 | 0 | 111.2 | F411 I561 F564 T565 S571 I572 L582 Y622 V626 | F411-M568 HydrophobicContact CD2-CE 4.19Å; F411-M568 HydrophobicContact CD2-CG 4.27Å; F411-M568 HydrophobicContact CE1-CG 4.45Å; F411-M568 HydrophobicContact CE2-CE 3.6Å; F411-M568 HydrophobicContact CE2-CG 3.4Å; F411-M568 HydrophobicContact CE2-SD 4.31Å; F411-M568 HydrophobicContact CZ-CB 4.33Å; F411-M568 HydrophobicContact CZ-CG 3.51Å; I561-M568 HydrophobicContact CD1-CE 3.93Å; I561-M568 HydrophobicContact CG1-CE 3.94Å; F564-M568 HydrophobicContact CB-CE 4.06Å; F564-M568 WeakPolarHBondContact O-CG 3.48Å; F564-M568 PolarHBondContact O-N 3.18Å; T565-M568 WeakPolarHBondContact O-CB 3.1Å; T565-M568 PolarHBondContact O-N 3.4Å; M568-S571 PolarHBondContact O-N 3.17Å; M568-I572 WeakPolarHBondContact O-CD1 3.47Å; M568-I572 VanDerWaalsContact O-CG1 3.27Å; M568-I572 WeakPolarHBondContact O-CG1 3.2Å; M568-I572 PolarHBondContact O-N 3.29Å; M568-L582 HydrophobicContact CB-CD2 4.42Å; M568-L582 HydrophobicContact CG-CD2 3.96Å; M568-L582 HydrophobicContact SD-CD2 4.16Å; M568-Y622 PolarHBondContact SD-OH 3.24Å; M568-Y622 VanDerWaalsContact SD-OH 3.41Å; M568-V626 HydrophobicContact CB-CG1 3.71Å; M568-V626 HydrophobicContact CG-CG1 4.46Å; M568-V626 HydrophobicContact SD-CG1 4.02Å; M568-V626 HydrophobicContact SD-CG2 3.96Å |
| 569 | Q | 94.3 | Very high | 90.8 | Very high | 42 Ų | 42 | 42.2 Ų | 42.2 | 20% | 0.196 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63 | -43.3 | -179.3 | -75 | -178.1 | -20.4 | 0 | 0 | 112 | T565 I567 I572 R573 K625 V626 I629 | T565-Q569 HydrophobicContact CG2-CG 4.26Å; T565-Q569 WeakPolarHBondContact O-CB 3.07Å; T565-Q569 VanDerWaalsContact O-CG 3.32Å; T565-Q569 WeakPolarHBondContact O-CG 3.07Å; T565-Q569 PolarHBondContact O-N 2.97Å; I567-Q569 VanDerWaalsContact C-N 3.34Å; I567-Q569 PolarHBondContact O-N 3.22Å; Q569-I572 PolarHBondContact O-N 3.44Å; Q569-R573 WeakPolarHBondContact O-CB 3.28Å; Q569-R573 PolarHBondContact O-N 3.02Å; Q569-K625 PolarHBondContact NE2-O 3.48Å; Q569-V626 WeakPolarHBondContact CG-O 3.42Å; Q569-I629 HydrophobicContact CB-CB 3.99Å; Q569-I629 HydrophobicContact CB-CD1 4.24Å; Q569-I629 HydrophobicContact CB-CG1 3.9Å; Q569-I629 HydrophobicContact CB-CG2 4.21Å; Q569-I629 HydrophobicContact CG-CB 3.9Å; Q569-I629 HydrophobicContact CG-CG1 4.35Å; Q569-I629 HydrophobicContact CG-CG2 4.16Å |
| 570 | E | 92.8 | Very high | 90.5 | Very high | 68 Ų | 68 | 41.3 Ų | 41.3 | 32% | 0.318 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -66.5 | -40.4 | 176.7 | -173.6 | 60.1 | -162.6 | 0 | 0 | 112 | S566 I567 I572 R573 V574 | S566-E570 WeakPolarHBondContact O-CB 3.38Å; S566-E570 PolarHBondContact O-N 2.97Å; I567-E570 PolarHBondContact O-N 2.82Å; E570-I572 VanDerWaalsContact C-N 3.32Å; E570-I572 PolarHBondContact O-N 2.98Å; E570-R573 PolarHBondContact O-N 2.76Å; E570-R573 IonicContact OE2-CZ 2.74Å; E570-R573 IonicContact OE2-NH1 3.59Å; E570-R573 PolarHBondContact OE2-NH1 3.43Å; E570-V574 WeakPolarHBondContact O-CG2 3.28Å; E570-V574 PolarHBondContact O-N 3.01Å |
| 571 | S | 90.3 | Very high | 90.1 | Very high | 33 Ų | 33 | 44.2 Ų | 44.2 | 23% | 0.231 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.6 | -40.2 | 174.2 | -70.8 | 0 | 0 | 0 | 0 | 112.4 | I567 M568 N575 | I567-S571 WeakPolarHBondContact O-CB 3.5Å; I567-S571 PolarHBondContact O-N 2.92Å; I567-S571 PolarHBondContact O-OG 3.12Å; M568-S571 PolarHBondContact O-N 3.17Å; S571-N575 PolarHBondContact O-N 3.34Å |
| 572 | I | 92.1 | Very high | 90 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.6 | -41.3 | 175.4 | -68 | 162.6 | 0 | 0 | 0 | 111.2 | M568 Q569 E570 V574 N575 P576 V579 L582 V626 L627 I629 I630 | M568-I572 WeakPolarHBondContact O-CD1 3.47Å; M568-I572 VanDerWaalsContact O-CG1 3.27Å; M568-I572 WeakPolarHBondContact O-CG1 3.2Å; M568-I572 PolarHBondContact O-N 3.29Å; Q569-I572 PolarHBondContact O-N 3.44Å; E570-I572 VanDerWaalsContact C-N 3.32Å; E570-I572 PolarHBondContact O-N 2.98Å; I572-V574 VanDerWaalsContact C-N 3.28Å; I572-V574 PolarHBondContact O-N 2.9Å; I572-N575 CarbonylContact O-C 3.44Å; I572-N575 PolarHBondContact O-N 2.97Å; I572-P576 WeakPolarHBondContact O-CA 3.48Å; I572-P576 VanDerWaalsContact O-N 3.15Å; I572-V579 HydrophobicContact CD1-CG2 4.39Å; I572-V579 HydrophobicContact CG1-CG2 4.2Å; I572-V579 HydrophobicContact CG2-CG2 4.23Å; I572-L582 HydrophobicContact CD1-CD1 3.33Å; I572-L582 HydrophobicContact CG1-CD1 3.62Å; I572-V626 HydrophobicContact CD1-CG1 3.92Å; I572-L627 HydrophobicContact CD1-CD2 4.06Å; I572-I629 HydrophobicContact CB-CG2 3.96Å; I572-I629 HydrophobicContact CD1-CG2 4.22Å; I572-I629 HydrophobicContact CG2-CG2 3.73Å; I572-I630 HydrophobicContact CG2-CD1 3.75Å; I572-I630 HydrophobicContact CG2-CG1 3.44Å; I572-I630 VanDerWaalsContact CG2-CG1 3.44Å |
| 573 | R | 91.3 | Very high | 89.9 | Confident | 113 Ų | 113 | 42.7 Ų | 42.7 | 43% | 0.426 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -59.4 | -40.3 | 178.1 | -176.9 | -176.1 | -74.1 | 156.4 | -12.1 | 111.8 | Q569 E570 I629 | Q569-R573 WeakPolarHBondContact O-CB 3.28Å; Q569-R573 PolarHBondContact O-N 3.02Å; E570-R573 PolarHBondContact O-N 2.76Å; E570-R573 IonicContact OE2-CZ 2.74Å; E570-R573 IonicContact OE2-NH1 3.59Å; E570-R573 PolarHBondContact OE2-NH1 3.43Å; R573-I629 VanDerWaalsContact NH2-CD1 3.27Å |
| 574 | V | 90.7 | Very high | 89.9 | Confident | 114 Ų | 114 | 39 Ų | 39 | 69% | 0.691 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -75.3 | -41.9 | 177.3 | 175.4 | 0 | 0 | 0 | 0 | 111.7 | E570 I572 | E570-V574 WeakPolarHBondContact O-CG2 3.28Å; E570-V574 PolarHBondContact O-N 3.01Å; I572-V574 VanDerWaalsContact C-N 3.28Å; I572-V574 PolarHBondContact O-N 2.9Å |
| 575 | N | 89.2 | Confident | 89.9 | Confident | 68 Ų | 68 | 38.8 Ų | 38.8 | 36% | 0.364 | 21% | 0.208 | S | C | . | . | trans | -140.5 | 99.5 | 179.8 | -178.7 | 6.5 | 0 | 0 | 0 | 111.7 | S571 I572 S577 M578 | S571-N575 PolarHBondContact O-N 3.34Å; I572-N575 CarbonylContact O-C 3.44Å; I572-N575 PolarHBondContact O-N 2.97Å; N575-S577 VanDerWaalsContact CG-OG 3.24Å; N575-S577 PolarHBondContact ND2-OG 2.95Å; N575-S577 VanDerWaalsContact ND2-OG 3.16Å; N575-S577 PolarHBondContact O-N 3.44Å; N575-S577 VanDerWaalsContact O-N 3.14Å; N575-S577 PolarHBondContact OD1-N 2.9Å; N575-S577 PolarHBondContact OD1-OG 2.74Å; N575-M578 HydrophobicContact CB-CG 4.09Å; N575-M578 VanDerWaalsContact O-CB 3.26Å; N575-M578 WeakPolarHBondContact O-CB 3.31Å; N575-M578 WeakPolarHBondContact O-CG 3.45Å; N575-M578 PolarHBondContact O-N 3.3Å; N575-M578 VanDerWaalsContact O-N 3.09Å | ||
| 576 | P | 87.3 | Confident | 89.8 | Confident | 10 Ų | 10 | 38.6 Ų | 38.6 | 7% | 0.065 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -60.4 | -24.5 | -178.7 | -30.3 | 40.1 | 0 | 0 | 0 | 115 | I572 M578 V579 I682 F683 | I572-P576 WeakPolarHBondContact O-CA 3.48Å; I572-P576 VanDerWaalsContact O-N 3.15Å; P576-M578 PolarHBondContact O-N 3.15Å; P576-M578 VanDerWaalsContact O-N 3.16Å; P576-V579 VanDerWaalsContact O-CG2 3.26Å; P576-V579 WeakPolarHBondContact O-CG2 3.07Å; P576-V579 PolarHBondContact O-N 3.27Å; P576-I682 HydrophobicContact CG-CG2 4.11Å; P576-F683 HydrophobicContact CB-CD1 4.14Å; P576-F683 HydrophobicContact CG-CD1 3.42Å; P576-F683 VanDerWaalsContact CG-CD1 3.42Å; P576-F683 HydrophobicContact CG-CE1 3.56Å; P576-F683 HydrophobicContact CG-CG 4.23Å; P576-F683 HydrophobicContact CG-CZ 4.46Å |
| 577 | S | 85.1 | Confident | 89.6 | Confident | 42 Ų | 42 | 36.4 Ų | 36.4 | 29% | 0.294 | 19% | 0.188 | S | C | . | . | G | 310 helix | trans | -65.7 | -16.1 | 177.2 | 68.4 | 0 | 0 | 0 | 0 | 113.6 | N575 V579 T580 | N575-S577 VanDerWaalsContact CG-OG 3.24Å; N575-S577 PolarHBondContact ND2-OG 2.95Å; N575-S577 VanDerWaalsContact ND2-OG 3.16Å; N575-S577 PolarHBondContact O-N 3.44Å; N575-S577 VanDerWaalsContact O-N 3.14Å; N575-S577 PolarHBondContact OD1-N 2.9Å; N575-S577 PolarHBondContact OD1-OG 2.74Å; S577-V579 PolarHBondContact O-N 2.81Å; S577-V579 VanDerWaalsContact O-N 3.1Å; S577-T580 WeakPolarHBondContact O-CB 3.35Å; S577-T580 PolarHBondContact O-N 3.45Å; S577-T580 VanDerWaalsContact O-N 3.08Å; S577-T580 PolarHBondContact O-OG1 3.42Å |
| 578 | M | 86.1 | Confident | 89.5 | Confident | 27 Ų | 27 | 35.6 Ų | 35.6 | 13% | 0.133 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -58.2 | -22 | 175.5 | -75.9 | -61.8 | -53.2 | 0 | 0 | 113.7 | L415 N575 P576 T580 K581 L582 | L415-M578 HydrophobicContact CD1-CE 3.53Å; L415-M578 HydrophobicContact CD2-CE 4.04Å; L415-M578 HydrophobicContact CG-CE 4.47Å; N575-M578 HydrophobicContact CB-CG 4.09Å; N575-M578 VanDerWaalsContact O-CB 3.26Å; N575-M578 WeakPolarHBondContact O-CB 3.31Å; N575-M578 WeakPolarHBondContact O-CG 3.45Å; N575-M578 PolarHBondContact O-N 3.3Å; N575-M578 VanDerWaalsContact O-N 3.09Å; P576-M578 PolarHBondContact O-N 3.15Å; P576-M578 VanDerWaalsContact O-N 3.16Å; M578-T580 PolarHBondContact O-N 2.97Å; M578-K581 HydrophobicContact CE-CB 4.49Å; M578-K581 HydrophobicContact CE-CD 4.2Å; M578-K581 PolarHBondContact O-N 2.87Å; M578-K581 HydrophobicContact SD-CD 4.38Å; M578-L582 PolarHBondContact O-N 2.97Å |
| 579 | V | 86.1 | Confident | 89.4 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -54.7 | -33.9 | 174.6 | 177.7 | 0 | 0 | 0 | 0 | 111.6 | I572 P576 S577 K581 L582 R583 L627 I630 M690 | I572-V579 HydrophobicContact CD1-CG2 4.39Å; I572-V579 HydrophobicContact CG1-CG2 4.2Å; I572-V579 HydrophobicContact CG2-CG2 4.23Å; P576-V579 VanDerWaalsContact O-CG2 3.26Å; P576-V579 WeakPolarHBondContact O-CG2 3.07Å; P576-V579 PolarHBondContact O-N 3.27Å; S577-V579 PolarHBondContact O-N 2.81Å; S577-V579 VanDerWaalsContact O-N 3.1Å; V579-K581 VanDerWaalsContact C-N 3.32Å; V579-K581 PolarHBondContact O-N 3.04Å; V579-L582 PolarHBondContact O-N 3.4Å; V579-R583 PolarHBondContact O-N 2.81Å; V579-L627 HydrophobicContact CB-CD2 4.48Å; V579-L627 HydrophobicContact CG1-CD2 3.9Å; V579-L627 HydrophobicContact CG2-CD2 3.81Å; V579-I630 HydrophobicContact CG2-CD1 3.77Å; V579-M690 HydrophobicContact CG1-CB 3.98Å; V579-M690 HydrophobicContact CG1-CG 4.26Å; V579-M690 HydrophobicContact CG1-SD 3.81Å |
| 580 | T | 83 | Confident | 89.2 | Confident | 54 Ų | 54 | 34.3 Ų | 34.3 | 33% | 0.331 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -61.4 | -37.4 | 177.5 | 59.6 | 0 | 0 | 0 | 0 | 113.1 | S577 M578 R583 M689 | S577-T580 WeakPolarHBondContact O-CB 3.35Å; S577-T580 PolarHBondContact O-N 3.45Å; S577-T580 VanDerWaalsContact O-N 3.08Å; S577-T580 PolarHBondContact O-OG1 3.42Å; M578-T580 PolarHBondContact O-N 2.97Å; T580-R583 WeakPolarHBondContact O-CB 3.37Å; T580-M689 HydrophobicContact CG2-CB 3.85Å |
| 581 | K | 83.9 | Confident | 88.9 | Confident | 75 Ų | 75 | 31.9 Ų | 31.9 | 33% | 0.326 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -81.1 | -36.1 | 176.9 | -60 | -171.9 | 178.7 | -172.6 | 0 | 111.9 | L415 M578 V579 R583 A584 T585 | L415-K581 HydrophobicContact CD1-CB 4.11Å; L415-K581 HydrophobicContact CD2-CB 3.59Å; L415-K581 HydrophobicContact CD2-CD 3.47Å; L415-K581 VanDerWaalsContact CD2-CD 3.47Å; L415-K581 HydrophobicContact CD2-CG 4.17Å; L415-K581 HydrophobicContact CG-CB 3.91Å; M578-K581 HydrophobicContact CE-CB 4.49Å; M578-K581 HydrophobicContact CE-CD 4.2Å; M578-K581 PolarHBondContact O-N 2.87Å; M578-K581 HydrophobicContact SD-CD 4.38Å; V579-K581 VanDerWaalsContact C-N 3.32Å; V579-K581 PolarHBondContact O-N 3.04Å; K581-R583 PolarHBondContact O-N 2.78Å; K581-A584 PolarHBondContact O-N 2.88Å; K581-A584 VanDerWaalsContact O-N 3.11Å; K581-T585 PolarHBondContact O-N 2.95Å |
| 582 | L | 88.8 | Confident | 88.8 | Confident | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.6 | -34 | 173.7 | -76.6 | 172.1 | 0 | 0 | 0 | 112.1 | F411 L415 M568 I572 M578 V579 A584 T585 F586 V626 | F411-L582 HydrophobicContact CE2-CD2 4.22Å; F411-L582 HydrophobicContact CZ-CD2 3.89Å; L415-L582 HydrophobicContact CD1-CD2 4.09Å; L415-L582 HydrophobicContact CD1-CG 4.33Å; M568-L582 HydrophobicContact CB-CD2 4.42Å; M568-L582 HydrophobicContact CG-CD2 3.96Å; M568-L582 HydrophobicContact SD-CD2 4.16Å; I572-L582 HydrophobicContact CD1-CD1 3.33Å; I572-L582 HydrophobicContact CG1-CD1 3.62Å; M578-L582 PolarHBondContact O-N 2.97Å; V579-L582 PolarHBondContact O-N 3.4Å; L582-A584 VanDerWaalsContact C-N 3.27Å; L582-A584 PolarHBondContact O-N 3.41Å; L582-T585 CarbonylContact O-C 3.49Å; L582-T585 WeakPolarHBondContact O-CA 3.33Å; L582-T585 WeakPolarHBondContact O-CB 3.13Å; L582-T585 PolarHBondContact O-N 2.8Å; L582-F586 HydrophobicContact CB-CE2 3.97Å; L582-F586 HydrophobicContact CB-CZ 4.24Å; L582-F586 VanDerWaalsContact O-CD2 3.31Å; L582-F586 WeakPolarHBondContact O-CD2 3.49Å; L582-F586 WeakPolarHBondContact O-CG 3.32Å; L582-F586 PolarHBondContact O-N 2.89Å; L582-V626 HydrophobicContact CD1-CG1 4.43Å |
| 583 | R | 89.9 | Confident | 88.7 | Confident | 44 Ų | 44 | 30.5 Ų | 30.5 | 17% | 0.166 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -51 | -45.1 | 172.3 | 179.2 | -174.4 | 177.6 | -128.1 | -3.8 | 112.7 | V579 T580 K581 T585 F586 L587 M690 T693 | V579-R583 PolarHBondContact O-N 2.81Å; T580-R583 WeakPolarHBondContact O-CB 3.37Å; K581-R583 PolarHBondContact O-N 2.78Å; R583-T585 VanDerWaalsContact C-N 3.31Å; R583-T585 PolarHBondContact O-N 2.97Å; R583-F586 PolarHBondContact O-N 3.46Å; R583-L587 HydrophobicContact CG-CD1 4.45Å; R583-L587 WeakPolarHBondContact O-CG 3.3Å; R583-L587 PolarHBondContact O-N 3.46Å; R583-M690 HydrophobicContact CB-CE 4.16Å; R583-M690 HydrophobicContact CB-CG 4.35Å; R583-M690 HydrophobicContact CG-CE 4Å; R583-M690 HydrophobicContact CG-CG 4.39Å; R583-T693 PolarHBondContact NE-OG1 2.78Å; R583-T693 PolarHBondContact NH2-OG1 3.16Å |
| 584 | A | 90.7 | Very high | 88.5 | Confident | 3 Ų | 3 | 29 Ų | 29 | 3% | 0.025 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66.3 | -36 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A418 Q419 F422 K581 L582 L587 K588 | A418-A584 HydrophobicContact CB-CB 4.4Å; Q419-A584 HydrophobicContact CB-CB 4.41Å; Q419-A584 VanDerWaalsContact OE1-CB 3.31Å; F422-A584 HydrophobicContact CB-CB 3.95Å; F422-A584 HydrophobicContact CG-CB 4.31Å; K581-A584 PolarHBondContact O-N 2.88Å; K581-A584 VanDerWaalsContact O-N 3.11Å; L582-A584 VanDerWaalsContact C-N 3.27Å; L582-A584 PolarHBondContact O-N 3.41Å; A584-L587 PolarHBondContact O-N 2.98Å; A584-K588 PolarHBondContact O-N 3.4Å |
| 585 | T | 91.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -65.6 | -41.4 | 174.8 | -51.9 | 0 | 0 | 0 | 0 | 111.6 | L414 K581 L582 R583 K588 L589 | L414-T585 HydrophobicContact CD2-CG2 4.24Å; L414-T585 HydrophobicContact CG-CG2 4.24Å; K581-T585 PolarHBondContact O-N 2.95Å; L582-T585 CarbonylContact O-C 3.49Å; L582-T585 WeakPolarHBondContact O-CA 3.33Å; L582-T585 WeakPolarHBondContact O-CB 3.13Å; L582-T585 PolarHBondContact O-N 2.8Å; R583-T585 VanDerWaalsContact C-N 3.31Å; R583-T585 PolarHBondContact O-N 2.97Å; T585-K588 PolarHBondContact O-N 3.25Å; T585-L589 PolarHBondContact O-N 2.81Å |
| 586 | F | 91.2 | Very high | 88.1 | Confident | 2 Ų | 2 | 23.6 Ų | 23.6 | 1% | 0.009 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65.5 | -37.9 | 175.2 | -59.8 | -40.5 | 0 | 0 | 0 | 112.5 | L582 R583 L589 A590 Y622 V623 V626 | L582-F586 HydrophobicContact CB-CE2 3.97Å; L582-F586 HydrophobicContact CB-CZ 4.24Å; L582-F586 VanDerWaalsContact O-CD2 3.31Å; L582-F586 WeakPolarHBondContact O-CD2 3.49Å; L582-F586 WeakPolarHBondContact O-CG 3.32Å; L582-F586 PolarHBondContact O-N 2.89Å; R583-F586 PolarHBondContact O-N 3.46Å; F586-L589 HydrophobicContact CD1-CD1 4.41Å; F586-L589 PolarHBondContact O-N 3.35Å; F586-A590 PolarHBondContact O-N 3.5Å; F586-Y622 HydrophobicContact CE1-CD1 4.32Å; F586-Y622 HydrophobicContact CE1-CE1 4.06Å; F586-V623 HydrophobicContact CB-CG2 4.08Å; F586-V623 HydrophobicContact CD1-CG2 3.71Å; F586-V623 HydrophobicContact CD2-CG1 4.13Å; F586-V623 HydrophobicContact CD2-CG2 3.79Å; F586-V623 HydrophobicContact CE1-CG2 4.01Å; F586-V623 HydrophobicContact CE2-CB 4.46Å; F586-V623 HydrophobicContact CE2-CG1 3.94Å; F586-V623 HydrophobicContact CE2-CG2 4.09Å; F586-V623 HydrophobicContact CG-CG2 3.6Å; F586-V623 HydrophobicContact CZ-CG1 4.4Å; F586-V623 HydrophobicContact CZ-CG2 4.19Å; F586-V626 HydrophobicContact CE1-CG2 4.38Å; F586-V626 HydrophobicContact CZ-CB 4.1Å; F586-V626 HydrophobicContact CZ-CG1 4.11Å; F586-V626 HydrophobicContact CZ-CG2 4.37Å |
| 587 | L | 90.5 | Very high | 88.3 | Confident | 43 Ų | 43 | 24.1 Ų | 24.1 | 23% | 0.225 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -65.6 | -37.6 | 173.3 | -77.5 | 172.8 | 0 | 0 | 0 | 112.4 | F422 R583 A584 A590 S591 T693 | F422-L587 HydrophobicContact CD2-CD1 3.75Å; F422-L587 HydrophobicContact CE2-CD1 3.47Å; F422-L587 VanDerWaalsContact CE2-CD1 3.47Å; F422-L587 HydrophobicContact CZ-CD1 4.28Å; R583-L587 HydrophobicContact CG-CD1 4.45Å; R583-L587 WeakPolarHBondContact O-CG 3.3Å; R583-L587 PolarHBondContact O-N 3.46Å; A584-L587 PolarHBondContact O-N 2.98Å; L587-A590 WeakPolarHBondContact O-CB 3.32Å; L587-A590 PolarHBondContact O-N 2.97Å; L587-S591 PolarHBondContact O-N 3.42Å; L587-T693 HydrophobicContact CD1-CG2 3.99Å; L587-T693 HydrophobicContact CD2-CG2 3.45Å; L587-T693 VanDerWaalsContact CD2-CG2 3.45Å; L587-T693 HydrophobicContact CG-CG2 3.8Å |
| 588 | K | 91.8 | Very high | 88.6 | Confident | 8 Ų | 8 | 26.4 Ų | 26.4 | 4% | 0.035 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.8 | -37.8 | 172.6 | -173.2 | 178.4 | 173.6 | 62.8 | 0 | 112.3 | N370 A418 E421 G552 L554 A584 T585 A590 S591 | N370-K588 VanDerWaalsContact OD1-CE 3.27Å; N370-K588 WeakPolarHBondContact OD1-CE 3.48Å; N370-K588 PolarHBondContact OD1-NZ 3.28Å; A418-K588 HydrophobicContact CB-CB 4.24Å; A418-K588 HydrophobicContact CB-CD 3.87Å; E421-K588 IonicContact OE1-NZ 3.94Å; E421-K588 IonicContact OE2-NZ 3.97Å; E421-K588 PolarHBondContact OE2-NZ 2.63Å; G552-K588 PolarHBondContact O-NZ 3.2Å; L554-K588 HydrophobicContact CB-CG 4.28Å; L554-K588 HydrophobicContact CD2-CB 4.34Å; L554-K588 HydrophobicContact CD2-CD 3.99Å; L554-K588 HydrophobicContact CD2-CG 3.81Å; A584-K588 PolarHBondContact O-N 3.4Å; T585-K588 PolarHBondContact O-N 3.25Å; K588-A590 VanDerWaalsContact C-N 3.27Å; K588-A590 PolarHBondContact O-N 2.85Å; K588-S591 PolarHBondContact O-N 3.25Å; K588-S591 PolarHBondContact O-OG 3.18Å |
| 589 | L | 91.1 | Very high | 89 | Confident | 2 Ų | 2 | 25.5 Ų | 25.5 | 1% | 0.01 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -66.1 | -33 | 171 | -73.3 | 163.9 | 0 | 0 | 0 | 111.7 | L554 I561 T585 F586 S591 A592 L619 Y622 | L554-L589 HydrophobicContact CD2-CD2 3.51Å; L554-L589 HydrophobicContact CD2-CG 3.77Å; L554-L589 HydrophobicContact CG-CD2 3.88Å; I561-L589 HydrophobicContact CB-CD2 4.46Å; I561-L589 HydrophobicContact CD1-CD1 4.42Å; I561-L589 HydrophobicContact CG1-CD1 3.96Å; I561-L589 HydrophobicContact CG1-CD2 4.46Å; I561-L589 HydrophobicContact CG2-CD1 4.46Å; T585-L589 PolarHBondContact O-N 2.81Å; F586-L589 HydrophobicContact CD1-CD1 4.41Å; F586-L589 PolarHBondContact O-N 3.35Å; L589-S591 PolarHBondContact O-N 2.99Å; L589-A592 WeakPolarHBondContact O-CB 3.27Å; L589-A592 PolarHBondContact O-N 3.29Å; L589-A592 VanDerWaalsContact O-N 3.09Å; L589-L619 HydrophobicContact CB-CD1 3.86Å; L589-L619 HydrophobicContact CB-CD2 4.35Å; L589-L619 HydrophobicContact CD1-CD1 4.28Å; L589-Y622 HydrophobicContact CD1-CE1 4.31Å |
| 590 | A | 90.3 | Very high | 89.4 | Confident | 13 Ų | 13 | 25.5 Ų | 25.5 | 11% | 0.107 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.8 | -26.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | F586 L587 K588 A592 L593 L619 V695 | F586-A590 PolarHBondContact O-N 3.5Å; L587-A590 WeakPolarHBondContact O-CB 3.32Å; L587-A590 PolarHBondContact O-N 2.97Å; K588-A590 VanDerWaalsContact C-N 3.27Å; K588-A590 PolarHBondContact O-N 2.85Å; A590-A592 PolarHBondContact O-N 3.32Å; A590-L593 WeakPolarHBondContact O-CB 3.18Å; A590-L593 WeakPolarHBondContact O-CD1 3.48Å; A590-L593 PolarHBondContact O-N 3.13Å; A590-L619 VanDerWaalsContact CA-CD2 3.48Å; A590-L619 HydrophobicContact CB-CD2 3.67Å; A590-V695 HydrophobicContact CB-CG1 4.33Å |
| 591 | S | 86.8 | Confident | 89.9 | Confident | 18 Ų | 18 | 27.2 Ų | 27.2 | 13% | 0.126 | 14% | 0.14 | C | C | . | . | G | 310 helix | trans | -70.9 | -16 | 174.9 | 64.8 | 0 | 0 | 0 | 0 | 113.4 | L587 K588 L589 L593 D594 | L587-S591 PolarHBondContact O-N 3.42Å; K588-S591 PolarHBondContact O-N 3.25Å; K588-S591 PolarHBondContact O-OG 3.18Å; L589-S591 PolarHBondContact O-N 2.99Å; S591-L593 PolarHBondContact O-N 3.12Å; S591-D594 WeakPolarHBondContact O-CB 3.29Å; S591-D594 PolarHBondContact O-N 2.91Å |
| 592 | A | 87.8 | Confident | 90.3 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.14 | C | C | . | . | G | 310 helix | trans | -63.6 | -21.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | M294 W558 L589 A590 D594 L595 P596 | M294-A592 HydrophobicContact CE-CB 4.4Å; W558-A592 HydrophobicContact CE3-CB 3.99Å; W558-A592 HydrophobicContact CZ3-CB 4.25Å; L589-A592 WeakPolarHBondContact O-CB 3.27Å; L589-A592 PolarHBondContact O-N 3.29Å; L589-A592 VanDerWaalsContact O-N 3.09Å; A590-A592 PolarHBondContact O-N 3.32Å; A592-D594 PolarHBondContact O-N 2.63Å; A592-L595 PolarHBondContact O-N 3.26Å; A592-P596 WeakPolarHBondContact O-CD 3.32Å |
| 593 | L | 89.6 | Confident | 90.4 | Very high | 3 Ų | 3 | 27.7 Ų | 27.7 | 2% | 0.016 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -69.3 | -19.7 | 178.9 | -73.2 | 80 | 0 | 0 | 0 | 112.3 | W558 A590 S591 L595 P596 L597 L619 | W558-L593 HydrophobicContact CH2-CD1 3.75Å; W558-L593 HydrophobicContact CH2-CG 4.37Å; W558-L593 HydrophobicContact CZ3-CD1 3.61Å; A590-L593 WeakPolarHBondContact O-CB 3.18Å; A590-L593 WeakPolarHBondContact O-CD1 3.48Å; A590-L593 PolarHBondContact O-N 3.13Å; S591-L593 PolarHBondContact O-N 3.12Å; L593-L595 PolarHBondContact O-N 2.9Å; L593-P596 VanDerWaalsContact O-CD 3.24Å; L593-P596 WeakPolarHBondContact O-CD 3.31Å; L593-P596 WeakPolarHBondContact O-CG 3.45Å; L593-L597 HydrophobicContact CB-CD1 4.05Å; L593-L597 WeakPolarHBondContact O-CB 3.38Å; L593-L597 WeakPolarHBondContact O-CD1 3.49Å; L593-L597 WeakPolarHBondContact O-CG 3.34Å; L593-L597 PolarHBondContact O-N 3.34Å; L593-L619 HydrophobicContact CD1-CD2 4.08Å |
| 594 | D | 86 | Confident | 90.6 | Very high | 82 Ų | 82 | 31.6 Ų | 31.6 | 44% | 0.439 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -61.3 | -35.3 | 179 | -66.6 | -18.1 | 0 | 0 | 0 | 111.1 | Q549 S591 A592 L597 L598 | Q549-D594 PolarHBondContact NE2-OD2 2.71Å; S591-D594 WeakPolarHBondContact O-CB 3.29Å; S591-D594 PolarHBondContact O-N 2.91Å; A592-D594 PolarHBondContact O-N 2.63Å; D594-L597 PolarHBondContact O-N 2.88Å; D594-L598 VanDerWaalsContact O-CB 3.26Å; D594-L598 WeakPolarHBondContact O-CB 3.45Å; D594-L598 PolarHBondContact O-N 2.88Å |
| 595 | L | 84.5 | Confident | 90.6 | Very high | 68 Ų | 68 | 32.3 Ų | 32.3 | 36% | 0.356 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -58.3 | -57.3 | -178.6 | -179.9 | 70.1 | 0 | 0 | 0 | 112.7 | A592 L593 L597 | A592-L595 PolarHBondContact O-N 3.26Å; L593-L595 PolarHBondContact O-N 2.9Å; L595-L597 VanDerWaalsContact C-N 3.33Å; L595-L597 PolarHBondContact O-N 3.32Å |
| 596 | P | 87.4 | Confident | 90.7 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -72.8 | -20.5 | 177.7 | 27.2 | -35.8 | 0 | 0 | 0 | 114.4 | N23 M294 A592 L593 I600 Y615 | N23-P596 WeakPolarHBondContact CB-O 3.28Å; M294-P596 HydrophobicContact SD-CG 4.49Å; A592-P596 WeakPolarHBondContact O-CD 3.32Å; L593-P596 VanDerWaalsContact O-CD 3.24Å; L593-P596 WeakPolarHBondContact O-CD 3.31Å; L593-P596 WeakPolarHBondContact O-CG 3.45Å; P596-I600 WeakPolarHBondContact O-CD1 3.29Å; P596-Y615 HydrophobicContact CB-CD2 4.37Å; P596-Y615 HydrophobicContact CB-CE2 3.7Å; P596-Y615 HydrophobicContact CG-CD2 3.95Å; P596-Y615 HydrophobicContact CG-CE2 3.69Å |
| 597 | L | 92.1 | Very high | 90.8 | Very high | 22 Ų | 22 | 40.9 Ų | 40.9 | 12% | 0.115 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -93.6 | -24.3 | -174.1 | -63.7 | 177.7 | 0 | 0 | 0 | 114.1 | L593 D594 L595 R599 I600 N601 L608 V611 | L593-L597 HydrophobicContact CB-CD1 4.05Å; L593-L597 WeakPolarHBondContact O-CB 3.38Å; L593-L597 WeakPolarHBondContact O-CD1 3.49Å; L593-L597 WeakPolarHBondContact O-CG 3.34Å; L593-L597 PolarHBondContact O-N 3.34Å; D594-L597 PolarHBondContact O-N 2.88Å; L595-L597 VanDerWaalsContact C-N 3.33Å; L595-L597 PolarHBondContact O-N 3.32Å; L597-R599 PolarHBondContact O-N 3.33Å; L597-I600 PolarHBondContact O-N 3.01Å; L597-N601 WeakPolarHBondContact O-CB 3.32Å; L597-N601 PolarHBondContact O-N 3.49Å; L597-L608 HydrophobicContact CB-CD1 4.44Å; L597-L608 HydrophobicContact CD2-CD1 4.17Å; L597-V611 HydrophobicContact CD2-CB 4.07Å; L597-V611 HydrophobicContact CD2-CG1 3.73Å |
| 598 | L | 91.6 | Very high | 90.9 | Very high | 90 Ų | 90 | 41.3 Ų | 41.3 | 47% | 0.471 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -53.6 | -53.4 | -173.6 | -178.8 | 69.9 | 0 | 0 | 0 | 112.3 | D594 N601 Q602 | D594-L598 VanDerWaalsContact O-CB 3.26Å; D594-L598 WeakPolarHBondContact O-CB 3.45Å; D594-L598 PolarHBondContact O-N 2.88Å; L598-N601 PolarHBondContact O-N 3.06Å; L598-Q602 WeakPolarHBondContact O-CG 3.46Å; L598-Q602 PolarHBondContact O-N 2.95Å |
| 599 | R | 94 | Very high | 90.9 | Very high | 8 Ų | 8 | 46.1 Ų | 46.1 | 3% | 0.03 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -70.3 | -32.5 | -177 | -60.3 | -54.8 | -168.9 | -170.7 | -3.6 | 112.8 | L16 V19 E141 L597 Q602 A603 | L16-R599 HydrophobicContact CD1-CB 4.37Å; V19-R599 HydrophobicContact CG1-CB 4.07Å; V19-R599 HydrophobicContact CG1-CG 3.8Å; E141-R599 IonicContact OE1-CZ 2.88Å; E141-R599 IonicContact OE1-NE 2.72Å; E141-R599 IonicContact OE1-NH2 3.59Å; E141-R599 PolarHBondContact OE1-NH2 3.48Å; E141-R599 WeakPolarHBondContact OE2-CG 3.44Å; E141-R599 IonicContact OE2-CZ 3.8Å; E141-R599 IonicContact OE2-NE 3.81Å; E141-R599 PolarHBondContact OE2-NE 3.34Å; E141-R599 IonicContact OE2-NH2 2.86Å; L597-R599 PolarHBondContact O-N 3.33Å; R599-Q602 PolarHBondContact O-N 3.11Å; R599-A603 VanDerWaalsContact O-CB 3.31Å; R599-A603 WeakPolarHBondContact O-CB 3.41Å; R599-A603 PolarHBondContact O-N 3.29Å |
| 600 | I | 93.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.9 | -41.9 | 176.6 | -53 | -178.4 | 0 | 0 | 0 | 110.4 | S20 N23 P596 L597 A603 N604 S605 D607 L608 V611 | S20-I600 WeakPolarHBondContact OG-CA 3.29Å; N23-I600 HydrophobicContact CB-CD1 3.88Å; N23-I600 HydrophobicContact CB-CG1 4.12Å; P596-I600 WeakPolarHBondContact O-CD1 3.29Å; L597-I600 PolarHBondContact O-N 3.01Å; I600-A603 PolarHBondContact O-N 3.31Å; I600-N604 PolarHBondContact O-N 2.99Å; I600-S605 PolarHBondContact O-N 3.11Å; I600-D607 HydrophobicContact CG2-CB 4.43Å; I600-L608 HydrophobicContact CB-CD1 4.27Å; I600-L608 HydrophobicContact CG2-CB 3.85Å; I600-L608 HydrophobicContact CG2-CD1 4.15Å; I600-V611 HydrophobicContact CD1-CB 3.97Å; I600-V611 HydrophobicContact CD1-CG1 3.89Å; I600-V611 HydrophobicContact CD1-CG2 3.84Å |
| 601 | N | 93.7 | Very high | 91.1 | Very high | 90 Ų | 90 | 47.5 Ų | 47.5 | 48% | 0.481 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -66.8 | -45.1 | 175.8 | -170.5 | 52.3 | 0 | 0 | 0 | 111.6 | L597 L598 A603 N604 L608 | L597-N601 WeakPolarHBondContact O-CB 3.32Å; L597-N601 PolarHBondContact O-N 3.49Å; L598-N601 PolarHBondContact O-N 3.06Å; N601-A603 PolarHBondContact O-N 3.49Å; N601-N604 PolarHBondContact O-N 3.32Å; N601-N604 PolarHBondContact O-OD1 3.34Å; N601-L608 HydrophobicContact CB-CD1 4.07Å; N601-L608 HydrophobicContact CB-CD2 4.3Å; N601-L608 WeakPolarHBondContact OD1-CD2 3.49Å |
| 602 | Q | 92.5 | Very high | 91.3 | Very high | 71 Ų | 71 | 47 Ų | 47 | 33% | 0.332 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -59.6 | -34.6 | 175.1 | -74.5 | 175.5 | -16 | 0 | 0 | 112.7 | L16 L598 R599 N604 | L16-Q602 HydrophobicContact CD1-CB 4.02Å; L16-Q602 HydrophobicContact CD2-CB 4.17Å; L598-Q602 WeakPolarHBondContact O-CG 3.46Å; L598-Q602 PolarHBondContact O-N 2.95Å; R599-Q602 PolarHBondContact O-N 3.11Å; Q602-N604 VanDerWaalsContact C-N 3.29Å; Q602-N604 PolarHBondContact O-N 3.05Å |
| 603 | A | 92.2 | Very high | 91.5 | Very high | 14 Ų | 14 | 51.8 Ų | 51.8 | 12% | 0.116 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -6.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | L16 R599 I600 N601 S605 | L16-A603 HydrophobicContact CD2-CB 4.3Å; L16-A603 HydrophobicContact CG-CB 3.97Å; R599-A603 VanDerWaalsContact O-CB 3.31Å; R599-A603 WeakPolarHBondContact O-CB 3.41Å; R599-A603 PolarHBondContact O-N 3.29Å; I600-A603 PolarHBondContact O-N 3.31Å; N601-A603 PolarHBondContact O-N 3.49Å; A603-S605 PolarHBondContact O-N 3.31Å |
| 604 | N | 92.3 | Very high | 91.6 | Very high | 126 Ų | 126 | 53 Ų | 53 | 67% | 0.674 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.7 | 38.3 | -169.4 | -66.7 | -46.4 | 0 | 0 | 0 | 112.9 | I600 N601 Q602 | I600-N604 PolarHBondContact O-N 2.99Å; N601-N604 PolarHBondContact O-N 3.32Å; N601-N604 PolarHBondContact O-OD1 3.34Å; Q602-N604 VanDerWaalsContact C-N 3.29Å; Q602-N604 PolarHBondContact O-N 3.05Å |
| 605 | S | 92.6 | Very high | 92 | Very high | 19 Ų | 19 | 49.2 Ų | 49.2 | 13% | 0.133 | 27% | 0.267 | C | S | . | . | trans | -72.8 | 141.7 | -176.9 | 171.3 | 0 | 0 | 0 | 0 | 111.8 | I600 A603 D607 L608 | I600-S605 PolarHBondContact O-N 3.11Å; A603-S605 PolarHBondContact O-N 3.31Å; S605-D607 PolarHBondContact O-N 3.35Å; S605-D607 VanDerWaalsContact O-N 3.13Å; S605-D607 WeakPolarHBondContact OG-CB 3.48Å; S605-D607 PolarHBondContact OG-N 3.36Å; S605-D607 VanDerWaalsContact OG-N 3.1Å; S605-D607 PolarHBondContact OG-OD2 2.88Å; S605-L608 WeakPolarHBondContact O-CB 3.49Å; S605-L608 PolarHBondContact O-N 3.46Å | ||
| 606 | P | 92.4 | Very high | 92.4 | Very high | 121 Ų | 121 | 46 Ų | 46 | 79% | 0.786 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -18.7 | 171.9 | 28 | -36.5 | 0 | 0 | 0 | 113.1 | L608 | P606-L608 PolarHBondContact O-N 3.34Š|
| 607 | D | 92.8 | Very high | 92.6 | Very high | 60 Ų | 60 | 47.3 Ų | 47.3 | 32% | 0.321 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -70.8 | -15.4 | 179.9 | -61 | -45.3 | 0 | 0 | 0 | 113.4 | A24 I600 S605 L609 S610 V611 | A24-D607 HydrophobicContact CB-CB 3.98Å; I600-D607 HydrophobicContact CG2-CB 4.43Å; S605-D607 PolarHBondContact O-N 3.35Å; S605-D607 VanDerWaalsContact O-N 3.13Å; S605-D607 WeakPolarHBondContact OG-CB 3.48Å; S605-D607 PolarHBondContact OG-N 3.36Å; S605-D607 VanDerWaalsContact OG-N 3.1Å; S605-D607 PolarHBondContact OG-OD2 2.88Å; D607-L609 VanDerWaalsContact C-N 3.26Å; D607-L609 PolarHBondContact O-N 3.25Å; D607-S610 PolarHBondContact O-N 2.88Å; D607-S610 VanDerWaalsContact O-N 3.07Å; D607-V611 HydrophobicContact CB-CG2 4.37Å; D607-V611 WeakPolarHBondContact O-CG2 3.43Å; D607-V611 PolarHBondContact O-N 3.17Å |
| 608 | L | 92.8 | Very high | 92.6 | Very high | 52 Ų | 52 | 48.9 Ų | 48.9 | 27% | 0.272 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -51.8 | -45.6 | -176.9 | -178.2 | 63.9 | 0 | 0 | 0 | 112.2 | L597 I600 N601 S605 P606 S612 | L597-L608 HydrophobicContact CB-CD1 4.44Å; L597-L608 HydrophobicContact CD2-CD1 4.17Å; I600-L608 HydrophobicContact CB-CD1 4.27Å; I600-L608 HydrophobicContact CG2-CB 3.85Å; I600-L608 HydrophobicContact CG2-CD1 4.15Å; N601-L608 HydrophobicContact CB-CD1 4.07Å; N601-L608 HydrophobicContact CB-CD2 4.3Å; N601-L608 WeakPolarHBondContact OD1-CD2 3.49Å; S605-L608 WeakPolarHBondContact O-CB 3.49Å; S605-L608 PolarHBondContact O-N 3.46Å; P606-L608 PolarHBondContact O-N 3.34Å; L608-S612 WeakPolarHBondContact O-CB 3.27Å; L608-S612 PolarHBondContact O-N 3.39Å |
| 609 | L | 91.4 | Very high | 92.6 | Very high | 110 Ų | 110 | 44.8 Ų | 44.8 | 58% | 0.576 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -66.3 | -45.7 | -179.7 | -173.5 | 128.5 | 0 | 0 | 0 | 111.3 | D607 Q613 | D607-L609 VanDerWaalsContact C-N 3.26Å; D607-L609 PolarHBondContact O-N 3.25Å; L609-Q613 VanDerWaalsContact CD2-NE2 3.31Å; L609-Q613 VanDerWaalsContact O-CB 3.29Å; L609-Q613 WeakPolarHBondContact O-CB 3.38Å; L609-Q613 WeakPolarHBondContact O-CG 3.41Å; L609-Q613 PolarHBondContact O-N 2.98Å |
| 610 | S | 92.4 | Very high | 92.5 | Very high | 40 Ų | 40 | 44.8 Ų | 44.8 | 28% | 0.28 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.4 | -46.1 | 179.8 | 176.7 | 0 | 0 | 0 | 0 | 112.3 | R31 D607 Q613 Y614 | R31-S610 PolarHBondContact NH1-OG 3.39Å; R31-S610 PolarHBondContact NH2-O 3.34Å; R31-S610 PolarHBondContact NH2-OG 3.05Å; D607-S610 PolarHBondContact O-N 2.88Å; D607-S610 VanDerWaalsContact O-N 3.07Å; S610-Q613 PolarHBondContact O-N 2.98Å; S610-Y614 PolarHBondContact O-N 3.46Å; S610-Y614 VanDerWaalsContact O-N 3.08Å |
| 611 | V | 93.5 | Very high | 92.4 | Very high | 3 Ų | 3 | 47.9 Ų | 47.9 | 2% | 0.018 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -70.4 | -41.6 | -179 | 179.4 | 0 | 0 | 0 | 0 | 110.9 | A24 A27 L597 I600 D607 Q613 Y614 Y615 | A24-V611 HydrophobicContact CB-CG2 4.02Å; A27-V611 HydrophobicContact CB-CB 4.46Å; A27-V611 HydrophobicContact CB-CG1 3.88Å; A27-V611 HydrophobicContact CB-CG2 4.08Å; L597-V611 HydrophobicContact CD2-CB 4.07Å; L597-V611 HydrophobicContact CD2-CG1 3.73Å; I600-V611 HydrophobicContact CD1-CB 3.97Å; I600-V611 HydrophobicContact CD1-CG1 3.89Å; I600-V611 HydrophobicContact CD1-CG2 3.84Å; D607-V611 HydrophobicContact CB-CG2 4.37Å; D607-V611 WeakPolarHBondContact O-CG2 3.43Å; D607-V611 PolarHBondContact O-N 3.17Å; V611-Q613 VanDerWaalsContact C-N 3.33Å; V611-Q613 PolarHBondContact O-N 2.92Å; V611-Y614 PolarHBondContact O-N 3.37Å; V611-Y615 HydrophobicContact CG1-CD2 3.79Å; V611-Y615 HydrophobicContact CG1-CE2 3.65Å; V611-Y615 WeakPolarHBondContact O-CD2 3.49Å; V611-Y615 PolarHBondContact O-N 2.82Å; V611-Y615 VanDerWaalsContact O-N 3.15Å |
| 612 | S | 92.5 | Very high | 92.3 | Very high | 7 Ų | 7 | 44.9 Ų | 44.9 | 5% | 0.049 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.5 | -39.5 | 175.9 | -171.2 | 0 | 0 | 0 | 0 | 111.8 | L608 Y614 S616 I697 | L608-S612 WeakPolarHBondContact O-CB 3.27Å; L608-S612 PolarHBondContact O-N 3.39Å; S612-Y614 VanDerWaalsContact C-N 3.34Å; S612-Y614 PolarHBondContact O-N 3.33Å; S612-S616 WeakPolarHBondContact O-CB 3.4Å; S612-S616 PolarHBondContact O-N 3.25Å; S612-S616 PolarHBondContact O-OG 3.41Å; S612-I697 WeakPolarHBondContact OG-CD1 3.3Å; S612-I697 WeakPolarHBondContact OG-CG1 3.48Å; S612-I697 WeakPolarHBondContact OG-CG2 3.38Å |
| 613 | Q | 91.7 | Very high | 92.3 | Very high | 102 Ų | 102 | 41.5 Ų | 41.5 | 48% | 0.477 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62 | -40.3 | 174.1 | -79.2 | 176.7 | -6.9 | 0 | 0 | 112 | L609 S610 V611 G617 I697 | L609-Q613 VanDerWaalsContact CD2-NE2 3.31Å; L609-Q613 VanDerWaalsContact O-CB 3.29Å; L609-Q613 WeakPolarHBondContact O-CB 3.38Å; L609-Q613 WeakPolarHBondContact O-CG 3.41Å; L609-Q613 PolarHBondContact O-N 2.98Å; S610-Q613 PolarHBondContact O-N 2.98Å; V611-Q613 VanDerWaalsContact C-N 3.33Å; V611-Q613 PolarHBondContact O-N 2.92Å; Q613-G617 WeakPolarHBondContact O-CA 2.81Å; Q613-G617 PolarHBondContact O-N 2.98Å; Q613-I697 HydrophobicContact CB-CD1 4.37Å; Q613-I697 HydrophobicContact CG-CD1 3.6Å |
| 614 | Y | 92.1 | Very high | 92.2 | Very high | 29 Ų | 29 | 43 Ų | 43 | 11% | 0.114 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.3 | -59.9 | 178 | 173.7 | -111.2 | 0 | 0 | 0 | 111.8 | A27 L30 R31 S610 V611 S612 S616 G617 E618 | A27-Y614 HydrophobicContact CB-CD1 4.03Å; L30-Y614 HydrophobicContact CB-CE1 3.96Å; L30-Y614 VanDerWaalsContact CB-OH 3.24Å; L30-Y614 WeakPolarHBondContact CB-OH 3.34Å; L30-Y614 HydrophobicContact CD1-CE1 4.39Å; R31-Y614 HydrophobicContact CB-CD2 3.91Å; R31-Y614 HydrophobicContact CB-CE2 3.84Å; R31-Y614 HydrophobicContact CG-CD2 4.12Å; R31-Y614 HydrophobicContact CG-CE2 4.31Å; S610-Y614 PolarHBondContact O-N 3.46Å; S610-Y614 VanDerWaalsContact O-N 3.08Å; V611-Y614 PolarHBondContact O-N 3.37Å; S612-Y614 VanDerWaalsContact C-N 3.34Å; S612-Y614 PolarHBondContact O-N 3.33Å; Y614-S616 VanDerWaalsContact C-N 3.35Å; Y614-S616 PolarHBondContact O-N 3.02Å; Y614-G617 WeakPolarHBondContact O-CA 3.19Å; Y614-G617 PolarHBondContact O-N 3.38Å; Y614-G617 VanDerWaalsContact O-N 3.12Å; Y614-E618 HydrophobicContact CD2-CG 4.34Å; Y614-E618 HydrophobicContact CE1-CG 4.4Å; Y614-E618 HydrophobicContact CE2-CG 3.83Å; Y614-E618 WeakPolarHBondContact O-CG 3.35Å; Y614-E618 PolarHBondContact O-N 3.43Å |
| 615 | Y | 92.8 | Very high | 92.3 | Very high | 2 Ų | 2 | 41.4 Ų | 41.4 | 1% | 0.008 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.8 | -35.6 | -177.1 | -70.7 | -71.2 | 0 | 0 | 0 | 112.9 | A27 Y293 M294 W558 P596 V611 G617 E618 L619 | A27-Y615 HydrophobicContact CB-CE2 4.06Å; Y293-Y615 PolarHBondContact OH-OH 3.48Å; Y293-Y615 VanDerWaalsContact OH-OH 3.07Å; M294-Y615 HydrophobicContact CE-CD1 3.94Å; M294-Y615 HydrophobicContact CE-CE1 3.96Å; M294-Y615 HydrophobicContact CG-CE1 4.33Å; W558-Y615 HydrophobicContact CH2-CD1 4.48Å; W558-Y615 AromaticContact CZ2-CD1 3.97Å; W558-Y615 HydrophobicContact CZ2-CD1 3.97Å; P596-Y615 HydrophobicContact CB-CD2 4.37Å; P596-Y615 HydrophobicContact CB-CE2 3.7Å; P596-Y615 HydrophobicContact CG-CD2 3.95Å; P596-Y615 HydrophobicContact CG-CE2 3.69Å; V611-Y615 HydrophobicContact CG1-CD2 3.79Å; V611-Y615 HydrophobicContact CG1-CE2 3.65Å; V611-Y615 WeakPolarHBondContact O-CD2 3.49Å; V611-Y615 PolarHBondContact O-N 2.82Å; V611-Y615 VanDerWaalsContact O-N 3.15Å; Y615-G617 VanDerWaalsContact C-N 3.32Å; Y615-E618 PolarHBondContact O-N 3.17Å; Y615-L619 PolarHBondContact O-N 3.01Å |
| 616 | S | 93.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65 | -40.4 | 173.5 | -55.8 | 0 | 0 | 0 | 0 | 110.7 | S612 Y614 L619 V620 G696 I697 | S612-S616 WeakPolarHBondContact O-CB 3.4Å; S612-S616 PolarHBondContact O-N 3.25Å; S612-S616 PolarHBondContact O-OG 3.41Å; Y614-S616 VanDerWaalsContact C-N 3.35Å; Y614-S616 PolarHBondContact O-N 3.02Å; S616-L619 PolarHBondContact O-N 3.33Å; S616-V620 WeakPolarHBondContact O-CB 3.47Å; S616-V620 VanDerWaalsContact O-CG2 3.24Å; S616-V620 WeakPolarHBondContact O-CG2 3.41Å; S616-V620 PolarHBondContact O-N 2.6Å; S616-G696 WeakPolarHBondContact OG-CA 3.48Å; S616-I697 PolarHBondContact OG-N 3.41Å; S616-I697 VanDerWaalsContact OG-N 3.13Å |
| 617 | G | 92.4 | Very high | 92.2 | Very high | 27 Ų | 27 | 35.1 Ų | 35.1 | 28% | 0.278 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -60.7 | -45.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q613 Y614 Y615 V620 S621 | Q613-G617 WeakPolarHBondContact O-CA 2.81Å; Q613-G617 PolarHBondContact O-N 2.98Å; Y614-G617 WeakPolarHBondContact O-CA 3.19Å; Y614-G617 PolarHBondContact O-N 3.38Å; Y614-G617 VanDerWaalsContact O-N 3.12Å; Y615-G617 VanDerWaalsContact C-N 3.32Å; G617-V620 PolarHBondContact O-N 3.32Å; G617-S621 WeakPolarHBondContact O-CB 3.48Å; G617-S621 PolarHBondContact O-N 3.13Å |
| 618 | E | 91.6 | Very high | 92.2 | Very high | 55 Ų | 55 | 33.3 Ų | 33.3 | 26% | 0.257 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -59.4 | -47.4 | 175 | -73.7 | -61.2 | 94.4 | 0 | 0 | 112 | W558 Y614 Y615 V620 S621 Y622 | W558-E618 HydrophobicContact CZ2-CB 3.99Å; Y614-E618 HydrophobicContact CD2-CG 4.34Å; Y614-E618 HydrophobicContact CE1-CG 4.4Å; Y614-E618 HydrophobicContact CE2-CG 3.83Å; Y614-E618 WeakPolarHBondContact O-CG 3.35Å; Y614-E618 PolarHBondContact O-N 3.43Å; Y615-E618 PolarHBondContact O-N 3.17Å; E618-V620 PolarHBondContact O-N 2.87Å; E618-S621 WeakPolarHBondContact O-CB 3.49Å; E618-S621 PolarHBondContact O-N 3.13Å; E618-Y622 PolarHBondContact O-N 2.68Å |
| 619 | L | 92.1 | Very high | 92.3 | Very high | 5 Ų | 5 | 31 Ų | 31 | 3% | 0.026 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.4 | -41.5 | 178.2 | -176.8 | 55.2 | 0 | 0 | 0 | 111.9 | W558 L589 A590 L593 Y615 S616 S621 Y622 V623 V695 | W558-L619 HydrophobicContact CH2-CB 3.94Å; L589-L619 HydrophobicContact CB-CD1 3.86Å; L589-L619 HydrophobicContact CB-CD2 4.35Å; L589-L619 HydrophobicContact CD1-CD1 4.28Å; A590-L619 VanDerWaalsContact CA-CD2 3.48Å; A590-L619 HydrophobicContact CB-CD2 3.67Å; L593-L619 HydrophobicContact CD1-CD2 4.08Å; Y615-L619 PolarHBondContact O-N 3.01Å; S616-L619 PolarHBondContact O-N 3.33Å; L619-S621 VanDerWaalsContact C-N 3.33Å; L619-Y622 WeakPolarHBondContact O-CB 3.49Å; L619-Y622 PolarHBondContact O-N 3.29Å; L619-V623 WeakPolarHBondContact O-CG2 3.27Å; L619-V623 PolarHBondContact O-N 2.97Å; L619-V695 HydrophobicContact CB-CG1 4.22Å; L619-V695 HydrophobicContact CD2-CG1 3.34Å; L619-V695 HydrophobicContact CG-CG1 3.6Å |
| 620 | V | 91.9 | Very high | 92.3 | Very high | 7 Ų | 7 | 25.8 Ų | 25.8 | 4% | 0.042 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -65.3 | -37.9 | 175.5 | 170.2 | 0 | 0 | 0 | 0 | 111.3 | S616 G617 E618 Y622 V623 R624 V695 I698 V700 | S616-V620 WeakPolarHBondContact O-CB 3.47Å; S616-V620 VanDerWaalsContact O-CG2 3.24Å; S616-V620 WeakPolarHBondContact O-CG2 3.41Å; S616-V620 PolarHBondContact O-N 2.6Å; G617-V620 PolarHBondContact O-N 3.32Å; E618-V620 PolarHBondContact O-N 2.87Å; V620-Y622 VanDerWaalsContact C-N 3.33Å; V620-V623 PolarHBondContact O-N 2.95Å; V620-R624 HydrophobicContact CG1-CG 4.48Å; V620-R624 WeakPolarHBondContact O-CB 3.28Å; V620-R624 VanDerWaalsContact O-CG 3.29Å; V620-R624 WeakPolarHBondContact O-CG 3.39Å; V620-R624 PolarHBondContact O-N 3.39Å; V620-V695 HydrophobicContact CG2-CB 4.29Å; V620-V695 HydrophobicContact CG2-CG1 4.24Å; V620-I698 HydrophobicContact CG2-CB 4.03Å; V620-I698 HydrophobicContact CG2-CD1 4.24Å; V620-I698 HydrophobicContact CG2-CG2 3.99Å; V620-V700 HydrophobicContact CG2-CG2 3.74Å |
| 621 | S | 91.2 | Very high | 92.3 | Very high | 66 Ų | 66 | 24 Ų | 24 | 46% | 0.462 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -60.2 | -43.9 | 173.2 | -172.4 | 0 | 0 | 0 | 0 | 111.1 | G617 E618 L619 R624 K625 | G617-S621 WeakPolarHBondContact O-CB 3.48Å; G617-S621 PolarHBondContact O-N 3.13Å; E618-S621 WeakPolarHBondContact O-CB 3.49Å; E618-S621 PolarHBondContact O-N 3.13Å; L619-S621 VanDerWaalsContact C-N 3.33Å; S621-R624 WeakPolarHBondContact O-CB 3.48Å; S621-R624 PolarHBondContact O-N 3.46Å; S621-K625 PolarHBondContact O-N 3.05Å |
| 622 | Y | 92.2 | Very high | 92.3 | Very high | 26 Ų | 26 | 27 Ų | 27 | 10% | 0.102 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.3 | -47.5 | 173.5 | -179.7 | -108.4 | 0 | 0 | 0 | 112.4 | I561 T565 M568 F586 L589 E618 L619 V620 R624 K625 V626 | I561-Y622 HydrophobicContact CG1-CE1 4.09Å; I561-Y622 HydrophobicContact CG2-CD1 4.44Å; I561-Y622 HydrophobicContact CG2-CE1 3.88Å; I561-Y622 HydrophobicContact CG2-CE2 4.16Å; I561-Y622 PolarHBondContact O-OH 3.17Å; T565-Y622 WeakPolarHBondContact OG1-CE2 3.39Å; M568-Y622 PolarHBondContact SD-OH 3.24Å; M568-Y622 VanDerWaalsContact SD-OH 3.41Å; F586-Y622 HydrophobicContact CE1-CD1 4.32Å; F586-Y622 HydrophobicContact CE1-CE1 4.06Å; L589-Y622 HydrophobicContact CD1-CE1 4.31Å; E618-Y622 PolarHBondContact O-N 2.68Å; L619-Y622 WeakPolarHBondContact O-CB 3.49Å; L619-Y622 PolarHBondContact O-N 3.29Å; V620-Y622 VanDerWaalsContact C-N 3.33Å; Y622-R624 VanDerWaalsContact C-N 3.29Å; Y622-R624 PolarHBondContact O-N 3.38Å; Y622-K625 WeakPolarHBondContact O-CA 3.44Å; Y622-K625 WeakPolarHBondContact O-CB 3.5Å; Y622-K625 PolarHBondContact O-N 2.93Å; Y622-V626 HydrophobicContact CD1-CG2 4.35Å; Y622-V626 HydrophobicContact CD2-CG2 4.47Å; Y622-V626 HydrophobicContact CE1-CG2 3.87Å; Y622-V626 HydrophobicContact CE2-CG2 3.99Å; Y622-V626 WeakPolarHBondContact O-CG2 3.37Å; Y622-V626 PolarHBondContact O-N 3.19Å |
| 623 | V | 91.4 | Very high | 92.3 | Very high | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.006 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -55.8 | -44.9 | 175.1 | 172.3 | 0 | 0 | 0 | 0 | 111 | F586 L619 V620 K625 V626 L627 L705 | F586-V623 HydrophobicContact CB-CG2 4.08Å; F586-V623 HydrophobicContact CD1-CG2 3.71Å; F586-V623 HydrophobicContact CD2-CG1 4.13Å; F586-V623 HydrophobicContact CD2-CG2 3.79Å; F586-V623 HydrophobicContact CE1-CG2 4.01Å; F586-V623 HydrophobicContact CE2-CB 4.46Å; F586-V623 HydrophobicContact CE2-CG1 3.94Å; F586-V623 HydrophobicContact CE2-CG2 4.09Å; F586-V623 HydrophobicContact CG-CG2 3.6Å; F586-V623 HydrophobicContact CZ-CG1 4.4Å; F586-V623 HydrophobicContact CZ-CG2 4.19Å; L619-V623 WeakPolarHBondContact O-CG2 3.27Å; L619-V623 PolarHBondContact O-N 2.97Å; V620-V623 PolarHBondContact O-N 2.95Å; V623-K625 PolarHBondContact O-N 3.01Å; V623-V626 PolarHBondContact O-N 2.88Å; V623-L627 HydrophobicContact CG1-CD1 3.78Å; V623-L627 HydrophobicContact CG1-CG 4.37Å; V623-L627 WeakPolarHBondContact O-CB 3.1Å; V623-L627 WeakPolarHBondContact O-CG 3.5Å; V623-L627 PolarHBondContact O-N 3.02Å; V623-L705 HydrophobicContact CG1-CD1 4.41Å |
| 624 | R | 91.4 | Very high | 92.2 | Very high | 45 Ų | 45 | 22.5 Ų | 22.5 | 17% | 0.17 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60.4 | -43.5 | 175 | -73.9 | 170.6 | -178.7 | -79.6 | 7.4 | 111.6 | V620 S621 Y622 V626 L627 Q628 L705 D708 | V620-R624 HydrophobicContact CG1-CG 4.48Å; V620-R624 WeakPolarHBondContact O-CB 3.28Å; V620-R624 VanDerWaalsContact O-CG 3.29Å; V620-R624 WeakPolarHBondContact O-CG 3.39Å; V620-R624 PolarHBondContact O-N 3.39Å; S621-R624 WeakPolarHBondContact O-CB 3.48Å; S621-R624 PolarHBondContact O-N 3.46Å; Y622-R624 VanDerWaalsContact C-N 3.29Å; Y622-R624 PolarHBondContact O-N 3.38Å; R624-V626 PolarHBondContact O-N 3.15Å; R624-L627 PolarHBondContact O-N 3.48Å; R624-Q628 WeakPolarHBondContact O-CB 3.12Å; R624-Q628 PolarHBondContact O-N 3.15Å; R624-L705 HydrophobicContact CG-CD2 3.6Å; R624-D708 IonicContact CZ-OD2 3.84Å; R624-D708 IonicContact NH1-OD2 3.23Å; R624-D708 PolarHBondContact NH1-OD2 2.69Å; R624-D708 IonicContact NH2-OD2 2.84Å; R624-D708 PolarHBondContact NH2-OD2 3.02Å; R624-D708 VanDerWaalsContact NH2-OD2 3.09Å |
| 625 | K | 93 | Very high | 92.1 | Very high | 93 Ų | 93 | 21.3 Ų | 21.3 | 40% | 0.404 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -58.8 | -45.8 | 175.6 | -177.3 | -173.8 | 179 | -173.9 | 0 | 111.6 | D562 T565 Q569 S621 Y622 V623 | D562-K625 VanDerWaalsContact CG-NZ 3.28Å; D562-K625 IonicContact OD1-NZ 2.8Å; D562-K625 PolarHBondContact OD1-NZ 3.35Å; D562-K625 IonicContact OD2-NZ 2.8Å; D562-K625 PolarHBondContact OD2-NZ 3.25Å; D562-K625 VanDerWaalsContact OD2-NZ 3.1Å; T565-K625 HydrophobicContact CG2-CD 4.44Å; T565-K625 HydrophobicContact CG2-CG 4.43Å; Q569-K625 PolarHBondContact NE2-O 3.48Å; S621-K625 PolarHBondContact O-N 3.05Å; Y622-K625 WeakPolarHBondContact O-CA 3.44Å; Y622-K625 WeakPolarHBondContact O-CB 3.5Å; Y622-K625 PolarHBondContact O-N 2.93Å; V623-K625 PolarHBondContact O-N 3.01Å |
| 626 | V | 92.4 | Very high | 92 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -66 | -45.9 | 179 | 179.9 | 0 | 0 | 0 | 0 | 111.3 | T565 M568 Q569 I572 L582 F586 Y622 V623 R624 Q628 I629 | T565-V626 HydrophobicContact CG2-CG2 4.4Å; M568-V626 HydrophobicContact CB-CG1 3.71Å; M568-V626 HydrophobicContact CG-CG1 4.46Å; M568-V626 HydrophobicContact SD-CG1 4.02Å; M568-V626 HydrophobicContact SD-CG2 3.96Å; Q569-V626 WeakPolarHBondContact CG-O 3.42Å; I572-V626 HydrophobicContact CD1-CG1 3.92Å; L582-V626 HydrophobicContact CD1-CG1 4.43Å; F586-V626 HydrophobicContact CE1-CG2 4.38Å; F586-V626 HydrophobicContact CZ-CB 4.1Å; F586-V626 HydrophobicContact CZ-CG1 4.11Å; F586-V626 HydrophobicContact CZ-CG2 4.37Å; Y622-V626 HydrophobicContact CD1-CG2 4.35Å; Y622-V626 HydrophobicContact CD2-CG2 4.47Å; Y622-V626 HydrophobicContact CE1-CG2 3.87Å; Y622-V626 HydrophobicContact CE2-CG2 3.99Å; Y622-V626 WeakPolarHBondContact O-CG2 3.37Å; Y622-V626 PolarHBondContact O-N 3.19Å; V623-V626 PolarHBondContact O-N 2.88Å; R624-V626 PolarHBondContact O-N 3.15Å; V626-Q628 PolarHBondContact O-N 3.41Å; V626-I629 WeakPolarHBondContact O-CG2 3.44Å |
| 627 | L | 92.1 | Very high | 91.9 | Very high | 7 Ų | 7 | 25 Ų | 25 | 4% | 0.037 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -78.8 | -14.7 | -175.9 | -63 | 179.2 | 0 | 0 | 0 | 114.2 | I572 V579 V623 R624 I629 I630 P631 M690 L705 | I572-L627 HydrophobicContact CD1-CD2 4.06Å; V579-L627 HydrophobicContact CB-CD2 4.48Å; V579-L627 HydrophobicContact CG1-CD2 3.9Å; V579-L627 HydrophobicContact CG2-CD2 3.81Å; V623-L627 HydrophobicContact CG1-CD1 3.78Å; V623-L627 HydrophobicContact CG1-CG 4.37Å; V623-L627 WeakPolarHBondContact O-CB 3.1Å; V623-L627 WeakPolarHBondContact O-CG 3.5Å; V623-L627 PolarHBondContact O-N 3.02Å; R624-L627 PolarHBondContact O-N 3.48Å; L627-I629 PolarHBondContact O-N 3.2Å; L627-I630 HydrophobicContact CD2-CD1 4.36Å; L627-I630 WeakPolarHBondContact O-CB 3.41Å; L627-I630 PolarHBondContact O-N 3.12Å; L627-P631 WeakPolarHBondContact O-CD 3.34Å; L627-M690 HydrophobicContact CD1-SD 4.4Å; L627-L705 HydrophobicContact CD1-CD1 3.82Å |
| 628 | Q | 92.8 | Very high | 91.6 | Very high | 23 Ų | 23 | 23.8 Ų | 23.8 | 11% | 0.107 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -24.6 | 177.2 | -172.4 | 61 | 30.9 | 0 | 0 | 113.3 | R624 V626 I630 P631 E632 G709 E713 | R624-Q628 WeakPolarHBondContact O-CB 3.12Å; R624-Q628 PolarHBondContact O-N 3.15Å; V626-Q628 PolarHBondContact O-N 3.41Å; Q628-I630 PolarHBondContact O-N 2.97Å; Q628-I630 VanDerWaalsContact O-N 3.17Å; Q628-P631 VanDerWaalsContact O-CD 3.31Å; Q628-P631 WeakPolarHBondContact O-CD 3.32Å; Q628-E632 WeakPolarHBondContact O-CB 3.43Å; Q628-E632 PolarHBondContact O-N 3.24Å; Q628-G709 PolarHBondContact NE2-O 2.77Å; Q628-E713 PolarHBondContact NE2-OE1 2.62Å |
| 629 | I | 93.7 | Very high | 91.4 | Very high | 3 Ų | 3 | 23.9 Ų | 23.9 | 2% | 0.015 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -58.3 | -27.2 | 176.1 | -163.3 | 62.2 | 0 | 0 | 0 | 113.2 | Q569 I572 R573 V626 L627 S633 | Q569-I629 HydrophobicContact CB-CB 3.99Å; Q569-I629 HydrophobicContact CB-CD1 4.24Å; Q569-I629 HydrophobicContact CB-CG1 3.9Å; Q569-I629 HydrophobicContact CB-CG2 4.21Å; Q569-I629 HydrophobicContact CG-CB 3.9Å; Q569-I629 HydrophobicContact CG-CG1 4.35Å; Q569-I629 HydrophobicContact CG-CG2 4.16Å; I572-I629 HydrophobicContact CB-CG2 3.96Å; I572-I629 HydrophobicContact CD1-CG2 4.22Å; I572-I629 HydrophobicContact CG2-CG2 3.73Å; R573-I629 VanDerWaalsContact NH2-CD1 3.27Å; V626-I629 WeakPolarHBondContact O-CG2 3.44Å; L627-I629 PolarHBondContact O-N 3.2Å; I629-S633 VanDerWaalsContact O-CB 3.26Å; I629-S633 WeakPolarHBondContact O-CB 3.3Å; I629-S633 PolarHBondContact O-N 2.91Å; I629-S633 PolarHBondContact O-OG 2.81Å |
| 630 | I | 92.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -68.5 | -61 | 179.2 | -64.3 | 175.3 | 0 | 0 | 0 | 109.3 | I572 V579 L627 Q628 E632 S633 M634 F683 I687 L706 | I572-I630 HydrophobicContact CG2-CD1 3.75Å; I572-I630 HydrophobicContact CG2-CG1 3.44Å; I572-I630 VanDerWaalsContact CG2-CG1 3.44Å; V579-I630 HydrophobicContact CG2-CD1 3.77Å; L627-I630 HydrophobicContact CD2-CD1 4.36Å; L627-I630 WeakPolarHBondContact O-CB 3.41Å; L627-I630 PolarHBondContact O-N 3.12Å; Q628-I630 PolarHBondContact O-N 2.97Å; Q628-I630 VanDerWaalsContact O-N 3.17Å; I630-E632 VanDerWaalsContact C-N 3.29Å; I630-E632 PolarHBondContact O-N 2.88Å; I630-S633 PolarHBondContact O-N 3.47Å; I630-S633 VanDerWaalsContact O-N 3.16Å; I630-M634 HydrophobicContact CG2-SD 3.96Å; I630-M634 VanDerWaalsContact O-CG 3.31Å; I630-M634 WeakPolarHBondContact O-CG 3.41Å; I630-M634 PolarHBondContact O-N 3.39Å; I630-F683 HydrophobicContact CG2-CB 3.99Å; I630-F683 HydrophobicContact CG2-CD1 4.31Å; I630-I687 HydrophobicContact CD1-CB 4Å; I630-I687 HydrophobicContact CD1-CD1 4.27Å; I630-I687 HydrophobicContact CD1-CG1 4.44Å; I630-L706 HydrophobicContact CG2-CD1 4.35Å |
| 631 | P | 92.8 | Very high | 91 | Very high | 3 Ų | 3 | 28.9 Ų | 28.9 | 2% | 0.019 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -51.9 | -42.3 | 170.6 | -23.5 | 24.3 | 0 | 0 | 0 | 114 | L627 Q628 S633 M634 F635 L706 G709 I710 E713 | L627-P631 WeakPolarHBondContact O-CD 3.34Å; Q628-P631 VanDerWaalsContact O-CD 3.31Å; Q628-P631 WeakPolarHBondContact O-CD 3.32Å; P631-S633 VanDerWaalsContact C-N 3.34Å; P631-S633 PolarHBondContact O-N 3.45Å; P631-M634 WeakPolarHBondContact O-CB 3.07Å; P631-M634 PolarHBondContact O-N 3.25Å; P631-F635 WeakPolarHBondContact O-CD2 3.39Å; P631-F635 PolarHBondContact O-N 2.79Å; P631-L706 HydrophobicContact CG-CD1 4.49Å; P631-G709 VanDerWaalsContact CB-C 3.46Å; P631-G709 WeakPolarHBondContact CB-O 3.31Å; P631-I710 HydrophobicContact CB-CG1 4.37Å; P631-E713 HydrophobicContact CB-CG 4.08Å |
| 632 | E | 92.6 | Very high | 90.7 | Very high | 65 Ų | 65 | 26.9 Ų | 26.9 | 30% | 0.304 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -61.1 | -42.8 | 179.2 | -173.3 | -176.9 | 163.4 | 0 | 0 | 112.2 | Q628 I630 F635 T636 | Q628-E632 WeakPolarHBondContact O-CB 3.43Å; Q628-E632 PolarHBondContact O-N 3.24Å; I630-E632 VanDerWaalsContact C-N 3.29Å; I630-E632 PolarHBondContact O-N 2.88Å; E632-F635 PolarHBondContact O-N 3.27Å; E632-T636 PolarHBondContact O-N 3.04Å; E632-T636 PolarHBondContact O-OG1 3.24Å |
| 633 | S | 91.7 | Very high | 90.4 | Very high | 12 Ų | 12 | 32 Ų | 32 | 8% | 0.084 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -68.7 | -39.6 | 176.9 | -58.3 | 0 | 0 | 0 | 0 | 111.3 | I629 I630 P631 T636 S637 | I629-S633 VanDerWaalsContact O-CB 3.26Å; I629-S633 WeakPolarHBondContact O-CB 3.3Å; I629-S633 PolarHBondContact O-N 2.91Å; I629-S633 PolarHBondContact O-OG 2.81Å; I630-S633 PolarHBondContact O-N 3.47Å; I630-S633 VanDerWaalsContact O-N 3.16Å; P631-S633 VanDerWaalsContact C-N 3.34Å; P631-S633 PolarHBondContact O-N 3.45Å; S633-T636 PolarHBondContact O-N 3.02Å; S633-S637 PolarHBondContact O-N 2.98Å; S633-S637 VanDerWaalsContact O-N 3.14Å; S633-S637 PolarHBondContact O-OG 3.25Å |
| 634 | M | 90.6 | Very high | 90.2 | Very high | 4 Ų | 4 | 33.3 Ų | 33.3 | 2% | 0.02 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.3 | -46.5 | 173.6 | -68.7 | 167.6 | 72.5 | 0 | 0 | 111.4 | I630 P631 T636 S637 L638 I680 F683 T684 L706 I710 V762 | I630-M634 HydrophobicContact CG2-SD 3.96Å; I630-M634 VanDerWaalsContact O-CG 3.31Å; I630-M634 WeakPolarHBondContact O-CG 3.41Å; I630-M634 PolarHBondContact O-N 3.39Å; P631-M634 WeakPolarHBondContact O-CB 3.07Å; P631-M634 PolarHBondContact O-N 3.25Å; M634-T636 VanDerWaalsContact C-N 3.32Å; M634-T636 PolarHBondContact O-N 3.47Å; M634-S637 WeakPolarHBondContact O-CB 2.86Å; M634-S637 PolarHBondContact O-N 3.09Å; M634-L638 WeakPolarHBondContact O-CB 3.3Å; M634-L638 PolarHBondContact O-N 3.05Å; M634-I680 HydrophobicContact CE-CG2 3.73Å; M634-I680 HydrophobicContact CG-CG2 4.38Å; M634-F683 HydrophobicContact CG-CB 3.72Å; M634-F683 HydrophobicContact CG-CD2 4.32Å; M634-F683 HydrophobicContact CG-CG 4.22Å; M634-F683 HydrophobicContact SD-CB 4.12Å; M634-T684 WeakPolarHBondContact CE-OG1 3.34Å; M634-L706 HydrophobicContact CE-CD1 4.29Å; M634-L706 HydrophobicContact SD-CD1 3.81Å; M634-I710 HydrophobicContact CE-CD1 4.05Å; M634-V762 HydrophobicContact CE-CB 4.48Å; M634-V762 HydrophobicContact CE-CG1 3.88Å; M634-V762 HydrophobicContact CE-CG2 3.65Å |
| 635 | F | 89.3 | Confident | 89.6 | Confident | 4 Ų | 4 | 34 Ų | 34 | 2% | 0.018 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65.6 | -33.6 | 177.5 | -95.5 | -104.2 | 0 | 0 | 0 | 113.1 | P631 E632 S637 L638 L639 I710 E713 L714 R717 F755 | P631-F635 WeakPolarHBondContact O-CD2 3.39Å; P631-F635 PolarHBondContact O-N 2.79Å; E632-F635 PolarHBondContact O-N 3.27Å; F635-S637 VanDerWaalsContact C-N 3.3Å; F635-S637 PolarHBondContact O-N 2.71Å; F635-L638 HydrophobicContact CD1-CD2 4.38Å; F635-L638 HydrophobicContact CE1-CD2 4.42Å; F635-L638 PolarHBondContact O-N 3.38Å; F635-L639 VanDerWaalsContact O-CG 3.3Å; F635-L639 WeakPolarHBondContact O-CG 3.23Å; F635-L639 PolarHBondContact O-N 2.75Å; F635-I710 HydrophobicContact CE2-CB 4.35Å; F635-I710 HydrophobicContact CE2-CG2 3.98Å; F635-I710 WeakPolarHBondContact CE2-O 3.28Å; F635-I710 HydrophobicContact CZ-CG2 4.42Å; F635-I710 WeakPolarHBondContact CZ-O 3.27Å; F635-E713 HydrophobicContact CB-CB 4.4Å; F635-E713 HydrophobicContact CD1-CB 3.97Å; F635-E713 HydrophobicContact CD2-CB 3.47Å; F635-E713 VanDerWaalsContact CD2-CB 3.47Å; F635-E713 HydrophobicContact CD2-CG 4.05Å; F635-E713 HydrophobicContact CE1-CB 3.99Å; F635-E713 HydrophobicContact CE2-CB 3.49Å; F635-E713 VanDerWaalsContact CE2-CB 3.49Å; F635-E713 HydrophobicContact CE2-CG 4.44Å; F635-E713 HydrophobicContact CG-CB 3.68Å; F635-E713 HydrophobicContact CG-CG 4.29Å; F635-E713 HydrophobicContact CZ-CB 3.72Å; F635-L714 HydrophobicContact CE1-CB 4.38Å; F635-L714 HydrophobicContact CZ-CB 3.93Å; F635-R717 HydrophobicContact CD1-CG 4.31Å; F635-F755 HydrophobicContact CE1-CE2 4.12Å; F635-F755 HydrophobicContact CE1-CZ 4.38Å; F635-F755 HydrophobicContact CE2-CZ 4.26Å; F635-F755 AromaticContact CZ-CE2 3.78Å; F635-F755 HydrophobicContact CZ-CE2 3.78Å; F635-F755 AromaticContact CZ-CZ 3.59Å; F635-F755 HydrophobicContact CZ-CZ 3.59Å |
| 636 | T | 90.6 | Very high | 88.9 | Confident | 63 Ų | 63 | 32.9 Ų | 32.9 | 39% | 0.387 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -63.3 | -39.7 | 174.2 | -60.2 | 0 | 0 | 0 | 0 | 111.2 | E632 S633 M634 | E632-T636 PolarHBondContact O-N 3.04Å; E632-T636 PolarHBondContact O-OG1 3.24Å; S633-T636 PolarHBondContact O-N 3.02Å; M634-T636 VanDerWaalsContact C-N 3.32Å; M634-T636 PolarHBondContact O-N 3.47Å |
| 637 | S | 90.9 | Very high | 88.3 | Confident | 16 Ų | 16 | 39.8 Ų | 39.8 | 11% | 0.112 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -69 | -42.4 | 171.5 | -63.2 | 0 | 0 | 0 | 0 | 111.7 | S633 M634 F635 L639 K640 I641 | S633-S637 PolarHBondContact O-N 2.98Å; S633-S637 VanDerWaalsContact O-N 3.14Å; S633-S637 PolarHBondContact O-OG 3.25Å; M634-S637 WeakPolarHBondContact O-CB 2.86Å; M634-S637 PolarHBondContact O-N 3.09Å; F635-S637 VanDerWaalsContact C-N 3.3Å; F635-S637 PolarHBondContact O-N 2.71Å; S637-L639 PolarHBondContact O-N 3.4Å; S637-K640 WeakPolarHBondContact O-CB 3.47Å; S637-K640 PolarHBondContact O-N 2.91Å; S637-K640 VanDerWaalsContact O-N 3.12Å; S637-I641 PolarHBondContact O-N 3.19Å; S637-I641 VanDerWaalsContact O-N 3.09Å |
| 638 | L | 87.8 | Confident | 87.9 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59 | -42.8 | 178.7 | -171.6 | 62.1 | 0 | 0 | 0 | 112.4 | M634 F635 K640 I641 I642 F755 I758 | M634-L638 WeakPolarHBondContact O-CB 3.3Å; M634-L638 PolarHBondContact O-N 3.05Å; F635-L638 HydrophobicContact CD1-CD2 4.38Å; F635-L638 HydrophobicContact CE1-CD2 4.42Å; F635-L638 PolarHBondContact O-N 3.38Å; L638-K640 VanDerWaalsContact C-N 3.25Å; L638-K640 PolarHBondContact O-N 3.48Å; L638-I641 CarbonylContact O-C 3.2Å; L638-I641 WeakPolarHBondContact O-CA 3.45Å; L638-I641 WeakPolarHBondContact O-CB 3.35Å; L638-I641 PolarHBondContact O-N 2.66Å; L638-I642 HydrophobicContact CG-CD1 4.22Å; L638-I642 WeakPolarHBondContact O-CG1 3.4Å; L638-I642 PolarHBondContact O-N 3.38Å; L638-F755 HydrophobicContact CD2-CE2 4.26Å; L638-I758 HydrophobicContact CD1-CD1 4.04Å; L638-I758 HydrophobicContact CD1-CG1 4.43Å; L638-I758 HydrophobicContact CD1-CG2 3.5Å; L638-I758 HydrophobicContact CD2-CD1 3.94Å |
| 639 | L | 86.1 | Confident | 87.5 | Confident | 57 Ų | 57 | 43.2 Ų | 43.2 | 30% | 0.298 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.9 | -33.9 | 177.5 | -74.6 | 167.8 | 0 | 0 | 0 | 112.7 | F635 S637 I642 K643 R717 F751 | F635-L639 VanDerWaalsContact O-CG 3.3Å; F635-L639 WeakPolarHBondContact O-CG 3.23Å; F635-L639 PolarHBondContact O-N 2.75Å; S637-L639 PolarHBondContact O-N 3.4Å; L639-I642 HydrophobicContact CD2-CD1 4.23Å; L639-K643 PolarHBondContact O-N 3.02Å; L639-R717 VanDerWaalsContact CD1-NH1 3.29Å; L639-F751 HydrophobicContact CD2-CE1 3.96Å |
| 640 | K | 89.6 | Confident | 86.9 | Confident | 118 Ų | 118 | 47.3 Ų | 47.3 | 51% | 0.513 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -69.1 | -39.6 | 173.1 | -65.1 | 175.2 | -176.9 | 177.3 | 0 | 110.9 | S637 L638 K643 L644 L676 | S637-K640 WeakPolarHBondContact O-CB 3.47Å; S637-K640 PolarHBondContact O-N 2.91Å; S637-K640 VanDerWaalsContact O-N 3.12Å; L638-K640 VanDerWaalsContact C-N 3.25Å; L638-K640 PolarHBondContact O-N 3.48Å; K640-K643 PolarHBondContact O-N 3.19Å; K640-L644 WeakPolarHBondContact O-CB 3.47Å; K640-L644 VanDerWaalsContact O-CG 3.3Å; K640-L644 WeakPolarHBondContact O-CG 3.33Å; K640-L644 PolarHBondContact O-N 2.69Å; K640-L676 HydrophobicContact CB-CD1 3.64Å; K640-L676 HydrophobicContact CB-CD2 4.46Å; K640-L676 HydrophobicContact CD-CD2 4.05Å |
| 641 | I | 87.1 | Confident | 86.2 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.2 | -47.5 | 173.6 | -62.9 | 171.6 | 0 | 0 | 0 | 110.4 | S637 L638 K643 L644 Q645 V673 L676 I680 Y757 | S637-I641 PolarHBondContact O-N 3.19Å; S637-I641 VanDerWaalsContact O-N 3.09Å; L638-I641 CarbonylContact O-C 3.2Å; L638-I641 WeakPolarHBondContact O-CA 3.45Å; L638-I641 WeakPolarHBondContact O-CB 3.35Å; L638-I641 PolarHBondContact O-N 2.66Å; I641-K643 VanDerWaalsContact C-N 3.32Å; I641-K643 PolarHBondContact O-N 2.91Å; I641-L644 PolarHBondContact O-N 3.42Å; I641-Q645 HydrophobicContact CG2-CG 4.09Å; I641-Q645 WeakPolarHBondContact O-CB 3.43Å; I641-Q645 WeakPolarHBondContact O-CG 3.36Å; I641-Q645 PolarHBondContact O-N 3.01Å; I641-V673 HydrophobicContact CG2-CG1 4.27Å; I641-L676 HydrophobicContact CD1-CB 3.87Å; I641-L676 HydrophobicContact CG1-CB 3.73Å; I641-L676 HydrophobicContact CG1-CD1 3.88Å; I641-L676 HydrophobicContact CG1-CG 4.47Å; I641-I680 HydrophobicContact CD1-CD1 3.76Å; I641-Y757 HydrophobicContact CD1-CE1 4.38Å; I641-Y757 HydrophobicContact CG2-CD1 4.13Å; I641-Y757 HydrophobicContact CG2-CE1 4.15Å |
| 642 | I | 83.9 | Confident | 85.6 | Confident | 23 Ų | 23 | 58.3 Ų | 58.3 | 12% | 0.118 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -55 | -49.2 | 177.1 | -70.3 | 166 | 0 | 0 | 0 | 110.4 | L638 L639 L644 Q645 T646 F751 | L638-I642 HydrophobicContact CG-CD1 4.22Å; L638-I642 WeakPolarHBondContact O-CG1 3.4Å; L638-I642 PolarHBondContact O-N 3.38Å; L639-I642 HydrophobicContact CD2-CD1 4.23Å; I642-L644 PolarHBondContact O-N 3.04Å; I642-Q645 PolarHBondContact O-N 2.95Å; I642-T646 VanDerWaalsContact O-CB 3.23Å; I642-T646 WeakPolarHBondContact O-CB 3.48Å; I642-T646 PolarHBondContact O-N 3.38Å; I642-T646 PolarHBondContact O-OG1 3.05Å; I642-F751 HydrophobicContact CD1-CD1 3.89Å; I642-F751 HydrophobicContact CD1-CE1 4.28Å |
| 643 | K | 86.1 | Confident | 85.2 | Confident | 134 Ų | 134 | 57.8 Ų | 57.8 | 58% | 0.583 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -58.9 | -49.7 | 179.1 | -174.6 | -177.1 | 174.5 | -174.3 | 0 | 111.3 | L639 K640 I641 T646 H647 | L639-K643 PolarHBondContact O-N 3.02Å; K640-K643 PolarHBondContact O-N 3.19Å; I641-K643 VanDerWaalsContact C-N 3.32Å; I641-K643 PolarHBondContact O-N 2.91Å; K643-T646 PolarHBondContact O-N 3.4Å; K643-H647 WeakPolarHBondContact O-CB 3.26Å; K643-H647 PolarHBondContact O-N 3.08Å; K643-H647 PolarHBondContact O-ND1 3.32Å |
| 644 | L | 86.5 | Confident | 84.8 | Confident | 29 Ų | 29 | 64.4 Ų | 64.4 | 15% | 0.152 | 34% | 0.336 | C | S | . | . | I | π-helix | trans | -60.1 | -46.9 | 179.5 | -72.6 | 164.7 | 0 | 0 | 0 | 111.5 | K640 I641 I642 T646 D648 I649 E672 V673 L676 | K640-L644 WeakPolarHBondContact O-CB 3.47Å; K640-L644 VanDerWaalsContact O-CG 3.3Å; K640-L644 WeakPolarHBondContact O-CG 3.33Å; K640-L644 PolarHBondContact O-N 2.69Å; I641-L644 PolarHBondContact O-N 3.42Å; I642-L644 PolarHBondContact O-N 3.04Å; L644-T646 PolarHBondContact O-N 3.1Å; L644-D648 HydrophobicContact CD2-CB 4.21Å; L644-D648 WeakPolarHBondContact CD2-OD2 3.26Å; L644-D648 CarbonylContact O-C 3.58Å; L644-D648 WeakPolarHBondContact O-CA 3.28Å; L644-D648 WeakPolarHBondContact O-CB 3.36Å; L644-D648 PolarHBondContact O-N 3.09Å; L644-D648 VanDerWaalsContact O-N 3.08Å; L644-I649 HydrophobicContact CB-CD1 4.5Å; L644-I649 WeakPolarHBondContact O-CG1 3.42Å; L644-I649 PolarHBondContact O-N 3.14Å; L644-E672 HydrophobicContact CD1-CB 4.16Å; L644-V673 HydrophobicContact CB-CG2 3.97Å; L644-V673 HydrophobicContact CD1-CG2 3.88Å; L644-L676 HydrophobicContact CD1-CD1 3.98Å |
| 645 | Q | 79.6 | Confident | 84.5 | Confident | 58 Ų | 58 | 75 Ų | 75 | 27% | 0.271 | 38% | 0.376 | S | S | . | . | I | π-helix | trans | -69.7 | -30.8 | -178.7 | -73.8 | -177.7 | -21.4 | 0 | 0 | 113.5 | I641 I642 I649 | I641-Q645 HydrophobicContact CG2-CG 4.09Å; I641-Q645 WeakPolarHBondContact O-CB 3.43Å; I641-Q645 WeakPolarHBondContact O-CG 3.36Å; I641-Q645 PolarHBondContact O-N 3.01Å; I642-Q645 PolarHBondContact O-N 2.95Å; Q645-I649 HydrophobicContact CG-CD1 4.43Å |
| 646 | T | 77.6 | Confident | 84.2 | Confident | 70 Ų | 70 | 77.5 Ų | 77.5 | 43% | 0.429 | 39% | 0.389 | S | S | . | . | I | π-helix | trans | -90 | -35.1 | -175 | -50 | 0 | 0 | 0 | 0 | 112.6 | I642 K643 L644 | I642-T646 VanDerWaalsContact O-CB 3.23Å; I642-T646 WeakPolarHBondContact O-CB 3.48Å; I642-T646 PolarHBondContact O-N 3.38Å; I642-T646 PolarHBondContact O-OG1 3.05Å; K643-T646 PolarHBondContact O-N 3.4Å; L644-T646 PolarHBondContact O-N 3.1Å |
| 647 | H | 81.6 | Confident | 84 | Confident | 145 Ų | 145 | 79 Ų | 79 | 67% | 0.671 | 39% | 0.394 | S | S | * | . | I | π-helix | trans | -116.4 | -29 | -170.8 | -58.3 | 84 | 0 | 0 | 0 | 114.1 | K643 | K643-H647 WeakPolarHBondContact O-CB 3.26Å; K643-H647 PolarHBondContact O-N 3.08Å; K643-H647 PolarHBondContact O-ND1 3.32Å |
| 648 | D | 83.4 | Confident | 83.7 | Confident | 72 Ų | 72 | 87.1 Ų | 87.1 | 39% | 0.385 | 43% | 0.427 | S | S | . | . | I | π-helix | trans | -106.7 | -34.5 | -169.4 | -56.1 | -46.6 | 0 | 0 | 0 | 112.6 | L644 Q666 | L644-D648 HydrophobicContact CD2-CB 4.21Å; L644-D648 WeakPolarHBondContact CD2-OD2 3.26Å; L644-D648 CarbonylContact O-C 3.58Å; L644-D648 WeakPolarHBondContact O-CA 3.28Å; L644-D648 WeakPolarHBondContact O-CB 3.36Å; L644-D648 PolarHBondContact O-N 3.09Å; L644-D648 VanDerWaalsContact O-N 3.08Å; D648-Q666 PolarHBondContact O-NE2 3.16Å |
| 649 | I | 83.3 | Confident | 83.6 | Confident | 31 Ų | 31 | 94.1 Ų | 94.1 | 16% | 0.159 | 47% | 0.465 | C | S | . | . | S | Bend | trans | -91.5 | 124.5 | 179.9 | -63.3 | 173.5 | 0 | 0 | 0 | 109.6 | L644 Q645 Q666 P669 R670 V673 | L644-I649 HydrophobicContact CB-CD1 4.5Å; L644-I649 WeakPolarHBondContact O-CG1 3.42Å; L644-I649 PolarHBondContact O-N 3.14Å; Q645-I649 HydrophobicContact CG-CD1 4.43Å; I649-Q666 VanDerWaalsContact CA-OE1 3.25Å; I649-P669 HydrophobicContact CD1-CB 4.35Å; I649-P669 HydrophobicContact CG1-CB 3.84Å; I649-R670 HydrophobicContact CD1-CG 4.5Å; I649-V673 HydrophobicContact CD1-CG2 3.77Å |
| 650 | I | 82.3 | Confident | 83.5 | Confident | 88 Ų | 88 | 95.9 Ų | 95.9 | 45% | 0.451 | 47% | 0.47 | S | S | . | . | P | Polyproline II helix | trans | -83.6 | 128.4 | 176 | -58.5 | 166 | 0 | 0 | 0 | 107.9 | Y664 | I650-Y664 HydrophobicContact CB-CD1 4.48Å; I650-Y664 HydrophobicContact CB-CE1 4.48Å; I650-Y664 HydrophobicContact CG2-CD1 3.96Å; I650-Y664 HydrophobicContact CG2-CE1 3.53Å |
| 651 | E | 76.4 | Confident | 83.1 | Confident | 159 Ų | 159 | 95.4 Ų | 95.4 | 74% | 0.743 | 47% | 0.473 | S | S | * | . | P | Polyproline II helix | trans | -64.8 | 134.3 | 176.9 | -163.6 | 167.7 | -162.6 | 0 | 0 | 110.7 | P653 | E651-P653 WeakPolarHBondContact O-CD 3.46Š|
| 652 | V | 81.4 | Confident | 82.8 | Confident | 76 Ų | 76 | 105.9 Ų | 105.9 | 46% | 0.461 | 51% | 0.512 | S | S | . | . | P | Polyproline II helix | trans | -79.4 | 120.9 | -175.7 | -175.4 | 0 | 0 | 0 | 0 | 108.6 | L656 | V652-L656 HydrophobicContact CG1-CD2 4.49Š|
| 653 | P | 83.9 | Confident | 82.8 | Confident | 53 Ų | 53 | 110 Ų | 110 | 34% | 0.344 | 54% | 0.535 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 156.1 | 178.9 | 28.4 | -35.1 | 0 | 0 | 0 | 110.9 | E651 R655 L656 Y664 | E651-P653 WeakPolarHBondContact O-CD 3.46Å; P653-R655 WeakPolarHBondContact CG-O 3.45Å; P653-R655 PolarHBondContact O-N 2.93Å; P653-R655 VanDerWaalsContact O-N 3.1Å; P653-L656 HydrophobicContact CG-CB 4.38Å; P653-L656 HydrophobicContact CG-CD1 3.95Å; P653-Y664 HydrophobicContact CG-CE1 4.19Å |
| 654 | T | 83.6 | Confident | 82.7 | Confident | 151 Ų | 151 | 106.6 Ų | 106.6 | 93% | 0.926 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -62 | -19.2 | 178.7 | 56.2 | 0 | 0 | 0 | 0 | 113.9 | ||
| 655 | R | 82.8 | Confident | 82.6 | Confident | 228 Ų | 228 | 106.6 Ų | 106.6 | 86% | 0.86 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -136.1 | 128 | 172.6 | -65.7 | -176.4 | 179.7 | 176.7 | 0.6 | 108.9 | P653 | P653-R655 WeakPolarHBondContact CG-O 3.45Å; P653-R655 PolarHBondContact O-N 2.93Å; P653-R655 VanDerWaalsContact O-N 3.1Å |
| 656 | L | 84.6 | Confident | 82.9 | Confident | 56 Ų | 56 | 105.4 Ų | 105.4 | 29% | 0.293 | 52% | 0.517 | S | S | . | . | trans | -133.7 | 131.3 | -175.5 | -175 | 67.6 | 0 | 0 | 0 | 110.9 | V652 P653 K660 L661 Y664 | V652-L656 HydrophobicContact CG1-CD2 4.49Å; P653-L656 HydrophobicContact CG-CB 4.38Å; P653-L656 HydrophobicContact CG-CD1 3.95Å; L656-K660 HydrophobicContact CD1-CB 3.89Å; L656-K660 HydrophobicContact CG-CB 4.46Å; L656-L661 HydrophobicContact CD2-CB 4.39Å; L656-Y664 HydrophobicContact CD1-CD2 3.44Å; L656-Y664 VanDerWaalsContact CD1-CD2 3.44Å; L656-Y664 HydrophobicContact CD1-CE2 3.45Å; L656-Y664 VanDerWaalsContact CD1-CE2 3.45Å; L656-Y664 HydrophobicContact CD1-CG 4Å; L656-Y664 HydrophobicContact CD2-CD2 4.16Å; L656-Y664 HydrophobicContact CD2-CG 4.16Å; L656-Y664 HydrophobicContact CG-CD2 4.44Å | ||
| 657 | D | 86.1 | Confident | 83.3 | Confident | 95 Ų | 95 | 108.6 Ų | 108.6 | 51% | 0.508 | 53% | 0.531 | S | S | . | . | trans | -64.9 | 136.5 | 172.4 | -57.5 | -41.2 | 0 | 0 | 0 | 110.1 | D659 K660 | D657-D659 PolarHBondContact O-N 3.35Å; D657-D659 VanDerWaalsContact O-N 3.12Å; D657-K660 HydrophobicContact CB-CD 4.25Å; D657-K660 HydrophobicContact CB-CG 4.36Å; D657-K660 PolarHBondContact O-N 3.24Å; D657-K660 IonicContact OD2-NZ 2.77Å; D657-K660 PolarHBondContact OD2-NZ 3.06Å | ||
| 658 | K | 84.3 | Confident | 83.7 | Confident | 185 Ų | 185 | 103.9 Ų | 103.9 | 80% | 0.804 | 52% | 0.522 | S | S | * | . | G | 310 helix | trans | -54.1 | -37.3 | -176.3 | -172.6 | -179.6 | 177.6 | -176.4 | 0 | 112.9 | K660 L661 | K658-K660 VanDerWaalsContact C-N 3.28Å; K658-K660 PolarHBondContact O-N 3.43Å; K658-L661 VanDerWaalsContact O-CB 3.22Å; K658-L661 WeakPolarHBondContact O-CB 3.33Å; K658-L661 PolarHBondContact O-N 2.77Å |
| 659 | D | 85.9 | Confident | 84 | Confident | 149 Ų | 149 | 102.4 Ų | 102.4 | 80% | 0.797 | 52% | 0.516 | S | S | * | . | G | 310 helix | trans | -71.1 | -23.8 | -177.4 | -55.9 | -35.4 | 0 | 0 | 0 | 112.8 | D657 L661 | D657-D659 PolarHBondContact O-N 3.35Å; D657-D659 VanDerWaalsContact O-N 3.12Å; D659-L661 VanDerWaalsContact C-N 3.35Å |
| 660 | K | 83.7 | Confident | 84.2 | Confident | 94 Ų | 94 | 105.9 Ų | 105.9 | 41% | 0.409 | 53% | 0.527 | S | S | . | . | G | 310 helix | trans | -85.8 | -6.9 | 177 | -65.9 | 177.5 | -177.3 | 151.2 | 0 | 112.8 | L656 D657 K658 R662 D663 Y664 | L656-K660 HydrophobicContact CD1-CB 3.89Å; L656-K660 HydrophobicContact CG-CB 4.46Å; D657-K660 HydrophobicContact CB-CD 4.25Å; D657-K660 HydrophobicContact CB-CG 4.36Å; D657-K660 PolarHBondContact O-N 3.24Å; D657-K660 IonicContact OD2-NZ 2.77Å; D657-K660 PolarHBondContact OD2-NZ 3.06Å; K658-K660 VanDerWaalsContact C-N 3.28Å; K658-K660 PolarHBondContact O-N 3.43Å; K660-R662 PolarHBondContact O-N 2.96Å; K660-D663 WeakPolarHBondContact O-CB 3.41Å; K660-D663 PolarHBondContact O-N 3.15Å; K660-Y664 HydrophobicContact CB-CD2 4.21Å; K660-Y664 HydrophobicContact CB-CE2 4.21Å; K660-Y664 WeakPolarHBondContact O-CD2 3.47Å; K660-Y664 PolarHBondContact O-N 3.33Å |
| 661 | L | 81.7 | Confident | 84.7 | Confident | 108 Ų | 108 | 109.2 Ų | 109.2 | 57% | 0.565 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -59.8 | -33.5 | -175.8 | -166.6 | 135.5 | 0 | 0 | 0 | 112.8 | L656 K658 D659 D663 A665 | L656-L661 HydrophobicContact CD2-CB 4.39Å; K658-L661 VanDerWaalsContact O-CB 3.22Å; K658-L661 WeakPolarHBondContact O-CB 3.33Å; K658-L661 PolarHBondContact O-N 2.77Å; D659-L661 VanDerWaalsContact C-N 3.35Å; L661-D663 VanDerWaalsContact C-N 3.34Å; L661-A665 WeakPolarHBondContact O-CB 3.35Å; L661-A665 PolarHBondContact O-N 3.27Å |
| 662 | R | 81.1 | Confident | 85.5 | Confident | 220 Ų | 220 | 105.5 Ų | 105.5 | 83% | 0.83 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -68 | -33.8 | 176.4 | -168 | 176.1 | -179.8 | 179.6 | -0.7 | 112.6 | K660 | K660-R662 PolarHBondContact O-N 2.96Å |
| 663 | D | 82.6 | Confident | 85.9 | Confident | 110 Ų | 110 | 102.3 Ų | 102.3 | 59% | 0.588 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -73.7 | -37.5 | -179.6 | -58.4 | -26.8 | 0 | 0 | 0 | 111.3 | K660 L661 Q666 | K660-D663 WeakPolarHBondContact O-CB 3.41Å; K660-D663 PolarHBondContact O-N 3.15Å; L661-D663 VanDerWaalsContact C-N 3.34Å; D663-Q666 VanDerWaalsContact O-CG 3.22Å; D663-Q666 WeakPolarHBondContact O-CG 3.3Å |
| 664 | Y | 84.9 | Confident | 86.2 | Confident | 61 Ų | 61 | 102.3 Ų | 102.3 | 24% | 0.239 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -82.8 | -14.9 | 176.7 | -75.2 | -97.3 | 0 | 0 | 0 | 113.9 | I650 P653 L656 K660 Q666 R670 | I650-Y664 HydrophobicContact CB-CD1 4.48Å; I650-Y664 HydrophobicContact CB-CE1 4.48Å; I650-Y664 HydrophobicContact CG2-CD1 3.96Å; I650-Y664 HydrophobicContact CG2-CE1 3.53Å; P653-Y664 HydrophobicContact CG-CE1 4.19Å; L656-Y664 HydrophobicContact CD1-CD2 3.44Å; L656-Y664 VanDerWaalsContact CD1-CD2 3.44Å; L656-Y664 HydrophobicContact CD1-CE2 3.45Å; L656-Y664 VanDerWaalsContact CD1-CE2 3.45Å; L656-Y664 HydrophobicContact CD1-CG 4Å; L656-Y664 HydrophobicContact CD2-CD2 4.16Å; L656-Y664 HydrophobicContact CD2-CG 4.16Å; L656-Y664 HydrophobicContact CG-CD2 4.44Å; K660-Y664 HydrophobicContact CB-CD2 4.21Å; K660-Y664 HydrophobicContact CB-CE2 4.21Å; K660-Y664 WeakPolarHBondContact O-CD2 3.47Å; K660-Y664 PolarHBondContact O-N 3.33Å; Y664-Q666 VanDerWaalsContact C-N 3.31Å; Y664-Q666 PolarHBondContact O-N 2.86Å; Y664-R670 PolarHBondContact O-NH2 3.46Å |
| 665 | A | 82.9 | Confident | 86.7 | Confident | 30 Ų | 30 | 100.7 Ų | 100.7 | 25% | 0.248 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -63.7 | -36.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | L661 L667 R670 | L661-A665 WeakPolarHBondContact O-CB 3.35Å; L661-A665 PolarHBondContact O-N 3.27Å; A665-L667 VanDerWaalsContact C-N 3.27Å; A665-L667 HydrophobicContact CB-CD2 4.3Å; A665-L667 HydrophobicContact CB-CG 4.36Å; A665-L667 PolarHBondContact O-N 3.42Å; A665-L667 VanDerWaalsContact O-N 3.1Å; A665-R670 WeakPolarHBondContact O-CD 3.24Å; A665-R670 PolarHBondContact O-NE 3.12Å |
| 666 | Q | 86.9 | Confident | 87.2 | Confident | 33 Ų | 33 | 90.9 Ų | 90.9 | 15% | 0.154 | 45% | 0.448 | C | S | . | . | trans | 40.5 | 51.9 | 174.2 | -60 | -175.2 | -55.1 | 0 | 0 | 113.9 | D648 I649 D663 Y664 G668 P669 R670 | D648-Q666 PolarHBondContact O-NE2 3.16Å; I649-Q666 VanDerWaalsContact CA-OE1 3.25Å; D663-Q666 VanDerWaalsContact O-CG 3.22Å; D663-Q666 WeakPolarHBondContact O-CG 3.3Å; Y664-Q666 VanDerWaalsContact C-N 3.31Å; Y664-Q666 PolarHBondContact O-N 2.86Å; Q666-G668 VanDerWaalsContact C-N 3.29Å; Q666-G668 PolarHBondContact O-N 3.26Å; Q666-P669 HydrophobicContact CB-CG 4.48Å; Q666-P669 WeakPolarHBondContact O-CD 3.49Å; Q666-R670 WeakPolarHBondContact O-CG 3.45Å; Q666-R670 PolarHBondContact O-N 2.78Å; Q666-R670 VanDerWaalsContact O-N 3.07Å | ||
| 667 | L | 86.9 | Confident | 87.5 | Confident | 137 Ų | 137 | 88.4 Ų | 88.4 | 72% | 0.717 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -57.8 | -36.9 | -169.1 | -62.8 | 177.1 | 0 | 0 | 0 | 113.5 | A665 Y671 | A665-L667 VanDerWaalsContact C-N 3.27Å; A665-L667 HydrophobicContact CB-CD2 4.3Å; A665-L667 HydrophobicContact CB-CG 4.36Å; A665-L667 PolarHBondContact O-N 3.42Å; A665-L667 VanDerWaalsContact O-N 3.1Å; L667-Y671 VanDerWaalsContact O-CB 3.24Å; L667-Y671 WeakPolarHBondContact O-CB 3.45Å; L667-Y671 PolarHBondContact O-N 2.89Å |
| 668 | G | 89.8 | Confident | 87.7 | Confident | 46 Ų | 46 | 89.5 Ų | 89.5 | 47% | 0.474 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -62.6 | -62.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q666 R670 Y671 E672 | Q666-G668 VanDerWaalsContact C-N 3.29Å; Q666-G668 PolarHBondContact O-N 3.26Å; G668-R670 VanDerWaalsContact C-N 3.27Å; G668-R670 PolarHBondContact O-N 3.25Å; G668-Y671 WeakPolarHBondContact O-CB 3.39Å; G668-Y671 PolarHBondContact O-N 3.44Å; G668-Y671 VanDerWaalsContact O-N 3.12Å; G668-E672 PolarHBondContact O-N 3.09Å; G668-E672 VanDerWaalsContact O-N 3.09Å |
| 669 | P | 88.6 | Confident | 88 | Confident | 41 Ų | 41 | 82.1 Ų | 82.1 | 27% | 0.266 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -53.5 | -40.9 | 175 | -29 | 35 | 0 | 0 | 0 | 113.6 | I649 Q666 E672 V673 | I649-P669 HydrophobicContact CD1-CB 4.35Å; I649-P669 HydrophobicContact CG1-CB 3.84Å; Q666-P669 HydrophobicContact CB-CG 4.48Å; Q666-P669 WeakPolarHBondContact O-CD 3.49Å; P669-E672 PolarHBondContact O-N 3.03Å; P669-V673 WeakPolarHBondContact O-CG2 3.37Å; P669-V673 PolarHBondContact O-N 2.92Å |
| 670 | R | 88.6 | Confident | 88.3 | Confident | 104 Ų | 104 | 75.1 Ų | 75.1 | 39% | 0.392 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -67.1 | -36.3 | 177.7 | -69.3 | -172.5 | -169.3 | -97.4 | -2.4 | 113.2 | I649 Y664 A665 Q666 G668 V673 A674 | I649-R670 HydrophobicContact CD1-CG 4.5Å; Y664-R670 PolarHBondContact O-NH2 3.46Å; A665-R670 WeakPolarHBondContact O-CD 3.24Å; A665-R670 PolarHBondContact O-NE 3.12Å; Q666-R670 WeakPolarHBondContact O-CG 3.45Å; Q666-R670 PolarHBondContact O-N 2.78Å; Q666-R670 VanDerWaalsContact O-N 3.07Å; G668-R670 VanDerWaalsContact C-N 3.27Å; G668-R670 PolarHBondContact O-N 3.25Å; R670-V673 PolarHBondContact O-N 3.35Å; R670-A674 PolarHBondContact O-N 3.32Å |
| 671 | Y | 92.3 | Very high | 88.6 | Confident | 157 Ų | 157 | 72.3 Ų | 72.3 | 62% | 0.616 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -64.9 | -42.2 | 174.3 | 178 | -103.2 | 0 | 0 | 0 | 111.6 | L667 G668 V673 A674 K675 | L667-Y671 VanDerWaalsContact O-CB 3.24Å; L667-Y671 WeakPolarHBondContact O-CB 3.45Å; L667-Y671 PolarHBondContact O-N 2.89Å; G668-Y671 WeakPolarHBondContact O-CB 3.39Å; G668-Y671 PolarHBondContact O-N 3.44Å; G668-Y671 VanDerWaalsContact O-N 3.12Å; Y671-V673 PolarHBondContact O-N 2.78Å; Y671-A674 PolarHBondContact O-N 2.98Å; Y671-K675 WeakPolarHBondContact O-CB 3.49Å; Y671-K675 PolarHBondContact O-N 2.82Å |
| 672 | E | 92.6 | Very high | 89.1 | Confident | 81 Ų | 81 | 70.5 Ų | 70.5 | 38% | 0.379 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.7 | -40.2 | 175 | -73.1 | -58.9 | 137.2 | 0 | 0 | 112 | L644 G668 P669 K675 L676 | L644-E672 HydrophobicContact CD1-CB 4.16Å; G668-E672 PolarHBondContact O-N 3.09Å; G668-E672 VanDerWaalsContact O-N 3.09Å; P669-E672 PolarHBondContact O-N 3.03Å; E672-K675 PolarHBondContact O-N 3.4Å; E672-L676 VanDerWaalsContact O-CG 3.29Å; E672-L676 WeakPolarHBondContact O-CG 3.31Å; E672-L676 PolarHBondContact O-N 2.89Å |
| 673 | V | 89.9 | Confident | 89.5 | Confident | 9 Ų | 9 | 61.1 Ų | 61.1 | 6% | 0.055 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -57.9 | -49.9 | 171 | 172.1 | 0 | 0 | 0 | 0 | 110.5 | I641 L644 I649 P669 R670 Y671 K675 L676 T677 Y757 | I641-V673 HydrophobicContact CG2-CG1 4.27Å; L644-V673 HydrophobicContact CB-CG2 3.97Å; L644-V673 HydrophobicContact CD1-CG2 3.88Å; I649-V673 HydrophobicContact CD1-CG2 3.77Å; P669-V673 WeakPolarHBondContact O-CG2 3.37Å; P669-V673 PolarHBondContact O-N 2.92Å; R670-V673 PolarHBondContact O-N 3.35Å; Y671-V673 PolarHBondContact O-N 2.78Å; V673-K675 VanDerWaalsContact C-N 3.32Å; V673-K675 PolarHBondContact O-N 3.43Å; V673-L676 PolarHBondContact O-N 3.24Å; V673-T677 WeakPolarHBondContact O-CB 3.45Å; V673-T677 PolarHBondContact O-N 3.3Å; V673-T677 PolarHBondContact O-OG1 2.85Å; V673-Y757 HydrophobicContact CG1-CE1 4.23Å; V673-Y757 WeakPolarHBondContact CG1-OH 3.32Å |
| 674 | A | 90.8 | Very high | 89.8 | Confident | 53 Ų | 53 | 56.1 Ų | 56.1 | 44% | 0.438 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -59.1 | -40.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | R670 Y671 T677 H678 | R670-A674 PolarHBondContact O-N 3.32Å; Y671-A674 PolarHBondContact O-N 2.98Å; A674-T677 PolarHBondContact O-N 2.9Å; A674-H678 WeakPolarHBondContact O-CB 3.4Å; A674-H678 PolarHBondContact O-N 3.4Å |
| 675 | K | 93.9 | Very high | 90 | Very high | 118 Ų | 118 | 58.6 Ų | 58.6 | 51% | 0.513 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.8 | -43.3 | 176.2 | -176.5 | -176.8 | 176.7 | -174 | 0 | 112.2 | Y671 E672 V673 H678 A679 | Y671-K675 WeakPolarHBondContact O-CB 3.49Å; Y671-K675 PolarHBondContact O-N 2.82Å; E672-K675 PolarHBondContact O-N 3.4Å; V673-K675 VanDerWaalsContact C-N 3.32Å; V673-K675 PolarHBondContact O-N 3.43Å; K675-H678 PolarHBondContact O-N 3.29Å; K675-A679 PolarHBondContact O-N 3.44Å |
| 676 | L | 92.4 | Very high | 90.2 | Very high | 22 Ų | 22 | 57.3 Ų | 57.3 | 12% | 0.115 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66.6 | -41.3 | 176.7 | -69.3 | 167 | 0 | 0 | 0 | 111.4 | K640 I641 L644 E672 V673 A679 I680 | K640-L676 HydrophobicContact CB-CD1 3.64Å; K640-L676 HydrophobicContact CB-CD2 4.46Å; K640-L676 HydrophobicContact CD-CD2 4.05Å; I641-L676 HydrophobicContact CD1-CB 3.87Å; I641-L676 HydrophobicContact CG1-CB 3.73Å; I641-L676 HydrophobicContact CG1-CD1 3.88Å; I641-L676 HydrophobicContact CG1-CG 4.47Å; L644-L676 HydrophobicContact CD1-CD1 3.98Å; E672-L676 VanDerWaalsContact O-CG 3.29Å; E672-L676 WeakPolarHBondContact O-CG 3.31Å; E672-L676 PolarHBondContact O-N 2.89Å; V673-L676 PolarHBondContact O-N 3.24Å; L676-A679 WeakPolarHBondContact O-CB 3.38Å; L676-A679 PolarHBondContact O-N 3.49Å; L676-I680 WeakPolarHBondContact O-CG1 3.4Å; L676-I680 PolarHBondContact O-N 2.86Å |
| 677 | T | 91.3 | Very high | 90.2 | Very high | 4 Ų | 4 | 55.8 Ų | 55.8 | 3% | 0.025 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.7 | -42.4 | 175.5 | -55 | 0 | 0 | 0 | 0 | 111.5 | V673 A674 A679 I680 S681 Y757 Y761 | V673-T677 WeakPolarHBondContact O-CB 3.45Å; V673-T677 PolarHBondContact O-N 3.3Å; V673-T677 PolarHBondContact O-OG1 2.85Å; A674-T677 PolarHBondContact O-N 2.9Å; T677-A679 VanDerWaalsContact C-N 3.33Å; T677-A679 PolarHBondContact O-N 3.31Å; T677-I680 WeakPolarHBondContact O-CB 3.3Å; T677-I680 PolarHBondContact O-N 3.32Å; T677-S681 PolarHBondContact O-N 2.91Å; T677-Y757 HydrophobicContact CG2-CE1 4.3Å; T677-Y757 WeakPolarHBondContact OG1-CE1 3.07Å; T677-Y757 PolarHBondContact OG1-OH 2.82Å; T677-Y757 VanDerWaalsContact OG1-OH 3.1Å; T677-Y761 HydrophobicContact CG2-CD1 3.64Å; T677-Y761 HydrophobicContact CG2-CD2 3.66Å; T677-Y761 HydrophobicContact CG2-CE1 3.51Å; T677-Y761 HydrophobicContact CG2-CE2 3.52Å; T677-Y761 HydrophobicContact CG2-CG 3.7Å; T677-Y761 VanDerWaalsContact CG2-CZ 3.44Å |
| 678 | H | 91.6 | Very high | 90.2 | Very high | 118 Ų | 118 | 53 Ų | 53 | 55% | 0.546 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.5 | -38.7 | 174 | -178.7 | 53.2 | 0 | 0 | 0 | 112.5 | A674 K675 I680 S681 I682 | A674-H678 WeakPolarHBondContact O-CB 3.4Å; A674-H678 PolarHBondContact O-N 3.4Å; K675-H678 PolarHBondContact O-N 3.29Å; H678-I680 VanDerWaalsContact C-N 3.33Å; H678-I680 PolarHBondContact O-N 3.3Å; H678-S681 WeakPolarHBondContact CA-OG 3.49Å; H678-S681 PolarHBondContact O-N 3.46Å; H678-S681 PolarHBondContact O-OG 3.35Å; H678-I682 WeakPolarHBondContact O-CG1 3.37Å; H678-I682 PolarHBondContact O-N 2.97Å; H678-I682 VanDerWaalsContact O-N 3.07Å |
| 679 | A | 90.3 | Very high | 90 | Very high | 30 Ų | 30 | 55.2 Ų | 55.2 | 25% | 0.248 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.8 | -42 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | K675 L676 T677 S681 I682 F683 | K675-A679 PolarHBondContact O-N 3.44Å; L676-A679 WeakPolarHBondContact O-CB 3.38Å; L676-A679 PolarHBondContact O-N 3.49Å; T677-A679 VanDerWaalsContact C-N 3.33Å; T677-A679 PolarHBondContact O-N 3.31Å; A679-S681 VanDerWaalsContact C-N 3.32Å; A679-S681 PolarHBondContact O-N 3.4Å; A679-I682 PolarHBondContact O-N 3.36Å; A679-F683 WeakPolarHBondContact O-CD2 3.38Å; A679-F683 PolarHBondContact O-N 3.01Å |
| 680 | I | 91.4 | Very high | 89.9 | Confident | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.7 | -40.4 | 174.8 | -67.2 | 171.2 | 0 | 0 | 0 | 111.2 | M634 I641 L676 T677 H678 F683 T684 I758 V762 | M634-I680 HydrophobicContact CE-CG2 3.73Å; M634-I680 HydrophobicContact CG-CG2 4.38Å; I641-I680 HydrophobicContact CD1-CD1 3.76Å; L676-I680 WeakPolarHBondContact O-CG1 3.4Å; L676-I680 PolarHBondContact O-N 2.86Å; T677-I680 WeakPolarHBondContact O-CB 3.3Å; T677-I680 PolarHBondContact O-N 3.32Å; H678-I680 VanDerWaalsContact C-N 3.33Å; H678-I680 PolarHBondContact O-N 3.3Å; I680-F683 PolarHBondContact O-N 3.13Å; I680-T684 PolarHBondContact O-N 3.49Å; I680-T684 PolarHBondContact O-OG1 3.43Å; I680-I758 HydrophobicContact CD1-CG2 4.24Å; I680-V762 HydrophobicContact CG2-CG2 3.88Å |
| 681 | S | 90.8 | Very high | 89.8 | Confident | 35 Ų | 35 | 55.8 Ų | 55.8 | 25% | 0.245 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.8 | -38.3 | 177.3 | 64.8 | 0 | 0 | 0 | 0 | 112.5 | T677 H678 A679 F683 T684 E685 | T677-S681 PolarHBondContact O-N 2.91Å; H678-S681 WeakPolarHBondContact CA-OG 3.49Å; H678-S681 PolarHBondContact O-N 3.46Å; H678-S681 PolarHBondContact O-OG 3.35Å; A679-S681 VanDerWaalsContact C-N 3.32Å; A679-S681 PolarHBondContact O-N 3.4Å; S681-F683 VanDerWaalsContact C-N 3.35Å; S681-F683 PolarHBondContact O-N 2.89Å; S681-T684 WeakPolarHBondContact O-CB 3.42Å; S681-T684 PolarHBondContact O-N 2.91Å; S681-E685 WeakPolarHBondContact O-CB 3.18Å; S681-E685 PolarHBondContact O-N 2.9Å |
| 682 | I | 91.4 | Very high | 89.6 | Confident | 70 Ų | 70 | 51.6 Ų | 51.6 | 36% | 0.359 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.7 | -42.1 | 176.2 | -65.2 | 168.6 | 0 | 0 | 0 | 111 | P576 H678 A679 T684 E685 G686 | P576-I682 HydrophobicContact CG-CG2 4.11Å; H678-I682 WeakPolarHBondContact O-CG1 3.37Å; H678-I682 PolarHBondContact O-N 2.97Å; H678-I682 VanDerWaalsContact O-N 3.07Å; A679-I682 PolarHBondContact O-N 3.36Å; I682-T684 VanDerWaalsContact C-N 3.34Å; I682-E685 PolarHBondContact O-N 3.22Å; I682-G686 PolarHBondContact O-N 3.31Å |
| 683 | F | 90.3 | Very high | 89.3 | Confident | 23 Ų | 23 | 48 Ų | 48 | 10% | 0.101 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.5 | -41.8 | 175.5 | -80.3 | -61.9 | 0 | 0 | 0 | 112.2 | P576 I630 M634 A679 I680 S681 G686 I687 | P576-F683 HydrophobicContact CB-CD1 4.14Å; P576-F683 HydrophobicContact CG-CD1 3.42Å; P576-F683 VanDerWaalsContact CG-CD1 3.42Å; P576-F683 HydrophobicContact CG-CE1 3.56Å; P576-F683 HydrophobicContact CG-CG 4.23Å; P576-F683 HydrophobicContact CG-CZ 4.46Å; I630-F683 HydrophobicContact CG2-CB 3.99Å; I630-F683 HydrophobicContact CG2-CD1 4.31Å; M634-F683 HydrophobicContact CG-CB 3.72Å; M634-F683 HydrophobicContact CG-CD2 4.32Å; M634-F683 HydrophobicContact CG-CG 4.22Å; M634-F683 HydrophobicContact SD-CB 4.12Å; A679-F683 WeakPolarHBondContact O-CD2 3.38Å; A679-F683 PolarHBondContact O-N 3.01Å; I680-F683 PolarHBondContact O-N 3.13Å; S681-F683 VanDerWaalsContact C-N 3.35Å; S681-F683 PolarHBondContact O-N 2.89Å; F683-G686 PolarHBondContact O-N 3.08Å; F683-I687 PolarHBondContact O-N 3.43Å |
| 684 | T | 89.3 | Confident | 89.1 | Confident | 6 Ų | 6 | 52.9 Ų | 52.9 | 4% | 0.037 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.1 | -45.7 | 176.6 | -53.2 | 0 | 0 | 0 | 0 | 110.8 | M634 I680 S681 I682 G686 I687 L688 L706 V762 | M634-T684 WeakPolarHBondContact CE-OG1 3.34Å; I680-T684 PolarHBondContact O-N 3.49Å; I680-T684 PolarHBondContact O-OG1 3.43Å; S681-T684 WeakPolarHBondContact O-CB 3.42Å; S681-T684 PolarHBondContact O-N 2.91Å; I682-T684 VanDerWaalsContact C-N 3.34Å; T684-G686 PolarHBondContact O-N 2.53Å; T684-I687 VanDerWaalsContact O-CG2 3.23Å; T684-I687 WeakPolarHBondContact O-CG2 3.47Å; T684-L688 HydrophobicContact CG2-CD1 3.82Å; T684-L688 HydrophobicContact CG2-CG 4.48Å; T684-L688 WeakPolarHBondContact O-CB 3.41Å; T684-L688 VanDerWaalsContact O-CG 3.24Å; T684-L688 WeakPolarHBondContact O-CG 3.24Å; T684-L688 PolarHBondContact O-N 3.18Å; T684-L688 VanDerWaalsContact O-N 3.13Å; T684-L706 HydrophobicContact CG2-CD2 3.78Å; T684-V762 HydrophobicContact CG2-CG1 4.26Å |
| 685 | E | 89.1 | Confident | 88.7 | Confident | 112 Ų | 112 | 50.5 Ų | 50.5 | 52% | 0.523 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61.5 | -44.8 | 177.5 | -163.7 | -173.9 | 164.1 | 0 | 0 | 111.2 | S681 I682 I687 L688 M689 | S681-E685 WeakPolarHBondContact O-CB 3.18Å; S681-E685 PolarHBondContact O-N 2.9Å; I682-E685 PolarHBondContact O-N 3.22Å; E685-I687 PolarHBondContact O-N 3.09Å; E685-L688 CarbonylContact O-C 3.59Å; E685-L688 PolarHBondContact O-N 2.9Å; E685-L688 VanDerWaalsContact O-N 3.11Å; E685-M689 HydrophobicContact CG-CE 3.8Å; E685-M689 WeakPolarHBondContact O-CG 3.33Å; E685-M689 PolarHBondContact O-N 3.27Å; E685-M689 WeakPolarHBondContact OE1-CE 3.22Å |
| 686 | G | 86.9 | Confident | 88.1 | Confident | 3 Ų | 3 | 46.2 Ų | 46.2 | 3% | 0.031 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.4 | -41.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | I682 F683 T684 | I682-G686 PolarHBondContact O-N 3.31Å; F683-G686 PolarHBondContact O-N 3.08Å; T684-G686 PolarHBondContact O-N 2.53Å |
| 687 | I | 86.1 | Confident | 87.7 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -74.2 | -36.2 | 175.2 | -167.7 | 163.5 | 0 | 0 | 0 | 111.8 | I630 F683 T684 E685 M689 M690 P702 L705 L706 | I630-I687 HydrophobicContact CD1-CB 4Å; I630-I687 HydrophobicContact CD1-CD1 4.27Å; I630-I687 HydrophobicContact CD1-CG1 4.44Å; F683-I687 PolarHBondContact O-N 3.43Å; T684-I687 VanDerWaalsContact O-CG2 3.23Å; T684-I687 WeakPolarHBondContact O-CG2 3.47Å; E685-I687 PolarHBondContact O-N 3.09Å; I687-M689 VanDerWaalsContact C-N 3.29Å; I687-M689 PolarHBondContact O-N 2.91Å; I687-M690 WeakPolarHBondContact O-CB 3.44Å; I687-M690 PolarHBondContact O-N 2.7Å; I687-M690 VanDerWaalsContact O-N 3.13Å; I687-P702 HydrophobicContact CG1-CB 4.22Å; I687-P702 VanDerWaalsContact O-CB 3.3Å; I687-P702 WeakPolarHBondContact O-CB 3.01Å; I687-L705 HydrophobicContact CD1-CB 4.42Å; I687-L706 HydrophobicContact CD1-CB 4.08Å; I687-L706 HydrophobicContact CG2-CB 4.12Å; I687-L706 HydrophobicContact CG2-CD1 4.08Å; I687-L706 HydrophobicContact CG2-CD2 3.76Å; I687-L706 HydrophobicContact CG2-CG 4.19Å |
| 688 | L | 86.9 | Confident | 87.5 | Confident | 79 Ų | 79 | 51.6 Ų | 51.6 | 41% | 0.414 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -72.9 | -18.9 | 178.8 | -67.5 | 177 | 0 | 0 | 0 | 113.5 | T684 E685 M690 K703 | T684-L688 HydrophobicContact CG2-CD1 3.82Å; T684-L688 HydrophobicContact CG2-CG 4.48Å; T684-L688 WeakPolarHBondContact O-CB 3.41Å; T684-L688 VanDerWaalsContact O-CG 3.24Å; T684-L688 WeakPolarHBondContact O-CG 3.24Å; T684-L688 PolarHBondContact O-N 3.18Å; T684-L688 VanDerWaalsContact O-N 3.13Å; E685-L688 CarbonylContact O-C 3.59Å; E685-L688 PolarHBondContact O-N 2.9Å; E685-L688 VanDerWaalsContact O-N 3.11Å; L688-M690 PolarHBondContact O-N 3.26Å; L688-K703 HydrophobicContact CD2-CB 4.09Å |
| 689 | M | 85.8 | Confident | 87.4 | Confident | 93 Ų | 93 | 53.1 Ų | 53.1 | 46% | 0.458 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -21 | 169 | -74.2 | -174.8 | -174.6 | 0 | 0 | 112.7 | T580 E685 I687 K691 | T580-M689 HydrophobicContact CG2-CB 3.85Å; E685-M689 HydrophobicContact CG-CE 3.8Å; E685-M689 WeakPolarHBondContact O-CG 3.33Å; E685-M689 PolarHBondContact O-N 3.27Å; E685-M689 WeakPolarHBondContact OE1-CE 3.22Å; I687-M689 VanDerWaalsContact C-N 3.29Å; I687-M689 PolarHBondContact O-N 2.91Å; M689-K691 PolarHBondContact O-N 2.99Å |
| 690 | M | 85.9 | Confident | 87.3 | Confident | 11 Ų | 11 | 51.9 Ų | 51.9 | 5% | 0.054 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -67 | 133.7 | 172.6 | -169.9 | 177.7 | 169.7 | 0 | 0 | 109 | V579 R583 L627 I687 L688 P702 | V579-M690 HydrophobicContact CG1-CB 3.98Å; V579-M690 HydrophobicContact CG1-CG 4.26Å; V579-M690 HydrophobicContact CG1-SD 3.81Å; R583-M690 HydrophobicContact CB-CE 4.16Å; R583-M690 HydrophobicContact CB-CG 4.35Å; R583-M690 HydrophobicContact CG-CE 4Å; R583-M690 HydrophobicContact CG-CG 4.39Å; L627-M690 HydrophobicContact CD1-SD 4.4Å; I687-M690 WeakPolarHBondContact O-CB 3.44Å; I687-M690 PolarHBondContact O-N 2.7Å; I687-M690 VanDerWaalsContact O-N 3.13Å; L688-M690 PolarHBondContact O-N 3.26Å; M690-P702 HydrophobicContact CB-CB 4.11Å; M690-P702 HydrophobicContact CB-CG 3.69Å; M690-P702 HydrophobicContact CG-CG 3.85Å; M690-P702 WeakPolarHBondContact O-CG 3.45Å; M690-P702 HydrophobicContact SD-CG 4.13Å |
| 691 | K | 86.3 | Confident | 87.2 | Confident | 145 Ų | 145 | 54.7 Ų | 54.7 | 63% | 0.63 | 28% | 0.282 | S | S | * | . | P | Polyproline II helix | trans | -79 | 149 | 172.4 | -62.5 | -176.2 | 179.8 | -177.7 | 0 | 109.7 | M689 T693 | M689-K691 PolarHBondContact O-N 2.99Å; K691-T693 PolarHBondContact O-N 3.35Å; K691-T693 PolarHBondContact O-OG1 3.11Å |
| 692 | T | 88.3 | Confident | 87.2 | Confident | 69 Ų | 69 | 53.2 Ų | 53.2 | 42% | 0.423 | 27% | 0.271 | S | S | . | . | P | Polyproline II helix | trans | -53.9 | 128.7 | 168.1 | -46.6 | 0 | 0 | 0 | 0 | 109.9 | K699 V700 D701 | T692-K699 HydrophobicContact CG2-CD 4.07Å; T692-K699 HydrophobicContact CG2-CG 3.68Å; T692-V700 WeakPolarHBondContact CA-O 3.21Å; T692-V700 WeakPolarHBondContact CG2-O 3.38Å; T692-D701 HydrophobicContact CG2-CB 4.49Å |
| 693 | T | 86.1 | Confident | 87.1 | Confident | 7 Ų | 7 | 53.9 Ų | 53.9 | 4% | 0.043 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 133.9 | -167.1 | -57.6 | 0 | 0 | 0 | 0 | 110.6 | R583 L587 K691 V695 V700 | R583-T693 PolarHBondContact NE-OG1 2.78Å; R583-T693 PolarHBondContact NH2-OG1 3.16Å; L587-T693 HydrophobicContact CD1-CG2 3.99Å; L587-T693 HydrophobicContact CD2-CG2 3.45Å; L587-T693 VanDerWaalsContact CD2-CG2 3.45Å; L587-T693 HydrophobicContact CG-CG2 3.8Å; K691-T693 PolarHBondContact O-N 3.35Å; K691-T693 PolarHBondContact O-OG1 3.11Å; T693-V695 HydrophobicContact CG2-CG2 4.16Å; T693-V700 PolarHBondContact N-O 3.36Å; T693-V700 PolarHBondContact O-N 2.96Å |
| 694 | L | 85.9 | Confident | 87.1 | Confident | 110 Ų | 110 | 57.6 Ų | 57.6 | 58% | 0.576 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 116.5 | 170.4 | -173.5 | 68.7 | 0 | 0 | 0 | 108.5 | G696 | L694-G696 WeakPolarHBondContact CG-O 3.49Å |
| 695 | V | 83.1 | Confident | 87.2 | Confident | 4 Ų | 4 | 57.9 Ų | 57.9 | 2% | 0.024 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 103.3 | 178.3 | 179.4 | 0 | 0 | 0 | 0 | 107.2 | A590 L619 V620 T693 I697 I698 V700 | A590-V695 HydrophobicContact CB-CG1 4.33Å; L619-V695 HydrophobicContact CB-CG1 4.22Å; L619-V695 HydrophobicContact CD2-CG1 3.34Å; L619-V695 HydrophobicContact CG-CG1 3.6Å; V620-V695 HydrophobicContact CG2-CB 4.29Å; V620-V695 HydrophobicContact CG2-CG1 4.24Å; T693-V695 HydrophobicContact CG2-CG2 4.16Å; V695-I697 PolarHBondContact O-N 2.84Å; V695-I697 VanDerWaalsContact O-N 3.17Å; V695-I698 PolarHBondContact N-O 3.47Å; V695-I698 PolarHBondContact O-N 2.77Å; V695-V700 HydrophobicContact CB-CG2 3.97Å; V695-V700 HydrophobicContact CG2-CB 4.36Å; V695-V700 HydrophobicContact CG2-CG2 3.67Å |
| 696 | G | 81.3 | Confident | 87.3 | Confident | 28 Ų | 28 | 52.7 Ų | 52.7 | 29% | 0.289 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.5 | -113.4 | -165.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | S616 L694 | S616-G696 WeakPolarHBondContact OG-CA 3.48Å; L694-G696 WeakPolarHBondContact CG-O 3.49Å |
| 697 | I | 84.1 | Confident | 87.5 | Confident | 81 Ų | 81 | 54.9 Ų | 54.9 | 42% | 0.415 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | -0.1 | 174.6 | 59.6 | 165 | 0 | 0 | 0 | 113.9 | S612 Q613 S616 V695 | S612-I697 WeakPolarHBondContact OG-CD1 3.3Å; S612-I697 WeakPolarHBondContact OG-CG1 3.48Å; S612-I697 WeakPolarHBondContact OG-CG2 3.38Å; Q613-I697 HydrophobicContact CB-CD1 4.37Å; Q613-I697 HydrophobicContact CG-CD1 3.6Å; S616-I697 PolarHBondContact OG-N 3.41Å; S616-I697 VanDerWaalsContact OG-N 3.13Å; V695-I697 PolarHBondContact O-N 2.84Å; V695-I697 VanDerWaalsContact O-N 3.17Å |
| 698 | I | 86.3 | Confident | 87.8 | Confident | 57 Ų | 57 | 55.9 Ų | 55.9 | 29% | 0.292 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 124.3 | -177.4 | -58.6 | 176.5 | 0 | 0 | 0 | 109.4 | V620 V695 V700 | V620-I698 HydrophobicContact CG2-CB 4.03Å; V620-I698 HydrophobicContact CG2-CD1 4.24Å; V620-I698 HydrophobicContact CG2-CG2 3.99Å; V695-I698 PolarHBondContact N-O 3.47Å; V695-I698 PolarHBondContact O-N 2.77Å; I698-V700 PolarHBondContact O-N 2.89Å |
| 699 | K | 89.4 | Confident | 88.1 | Confident | 151 Ų | 151 | 52.3 Ų | 52.3 | 66% | 0.657 | 26% | 0.263 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80 | 115.5 | 173.6 | -173.6 | 174.6 | 174.7 | 179.5 | 0 | 109.3 | T692 | T692-K699 HydrophobicContact CG2-CD 4.07Å; T692-K699 HydrophobicContact CG2-CG 3.68Å |
| 700 | V | 87.8 | Confident | 88.4 | Confident | 4 Ų | 4 | 48 Ų | 48 | 2% | 0.024 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 112.1 | 178.5 | -179.1 | 0 | 0 | 0 | 0 | 109.2 | V620 T692 T693 V695 I698 L705 | V620-V700 HydrophobicContact CG2-CG2 3.74Å; T692-V700 WeakPolarHBondContact CA-O 3.21Å; T692-V700 WeakPolarHBondContact CG2-O 3.38Å; T693-V700 PolarHBondContact N-O 3.36Å; T693-V700 PolarHBondContact O-N 2.96Å; V695-V700 HydrophobicContact CB-CG2 3.97Å; V695-V700 HydrophobicContact CG2-CB 4.36Å; V695-V700 HydrophobicContact CG2-CG2 3.67Å; I698-V700 PolarHBondContact O-N 2.89Å; V700-L705 HydrophobicContact CG1-CD1 3.28Å; V700-L705 HydrophobicContact CG1-CD2 4.23Å; V700-L705 HydrophobicContact CG1-CG 3.83Å |
| 701 | D | 90.7 | Very high | 88.8 | Confident | 60 Ų | 60 | 48.8 Ų | 48.8 | 32% | 0.321 | 24% | 0.244 | S | C | . | . | trans | -97.3 | 116 | 173.3 | -178.6 | 15.6 | 0 | 0 | 0 | 110.9 | T692 K703 Q704 L705 | T692-D701 HydrophobicContact CG2-CB 4.49Å; D701-K703 VanDerWaalsContact C-N 3.26Å; D701-K703 PolarHBondContact O-N 3.27Å; D701-K703 PolarHBondContact OD1-N 3.29Å; D701-Q704 HydrophobicContact CB-CB 4.04Å; D701-Q704 PolarHBondContact O-N 3.3Å; D701-L705 WeakPolarHBondContact O-CG 3.39Å; D701-L705 PolarHBondContact O-N 2.85Å | ||
| 702 | P | 89.7 | Confident | 89.2 | Confident | 3 Ų | 3 | 45.3 Ų | 45.3 | 2% | 0.019 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.7 | -31.2 | -180 | -27.1 | 38.3 | 0 | 0 | 0 | 114.3 | I687 M690 L705 L706 | I687-P702 HydrophobicContact CG1-CB 4.22Å; I687-P702 VanDerWaalsContact O-CB 3.3Å; I687-P702 WeakPolarHBondContact O-CB 3.01Å; M690-P702 HydrophobicContact CB-CB 4.11Å; M690-P702 HydrophobicContact CB-CG 3.69Å; M690-P702 HydrophobicContact CG-CG 3.85Å; M690-P702 WeakPolarHBondContact O-CG 3.45Å; M690-P702 HydrophobicContact SD-CG 4.13Å; P702-L705 PolarHBondContact O-N 3.42Å; P702-L706 WeakPolarHBondContact O-CB 3.48Å; P702-L706 PolarHBondContact O-N 3.49Å |
| 703 | K | 90.2 | Very high | 89.4 | Confident | 84 Ų | 84 | 42.2 Ų | 42.2 | 37% | 0.365 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -66.2 | -47.2 | 175.5 | -175.6 | 174.2 | -179.7 | 171.6 | 0 | 110.8 | L688 D701 L706 E707 N763 | L688-K703 HydrophobicContact CD2-CB 4.09Å; D701-K703 VanDerWaalsContact C-N 3.26Å; D701-K703 PolarHBondContact O-N 3.27Å; D701-K703 PolarHBondContact OD1-N 3.29Å; K703-L706 PolarHBondContact O-N 3.38Å; K703-E707 PolarHBondContact O-N 2.77Å; K703-N763 WeakPolarHBondContact CE-O 3.35Å; K703-N763 PolarHBondContact NZ-ND2 2.99Å; K703-N763 PolarHBondContact NZ-O 3.43Å |
| 704 | Q | 90.6 | Very high | 89.7 | Confident | 102 Ų | 102 | 41.9 Ų | 41.9 | 48% | 0.477 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -63.4 | -40.3 | 175.5 | -170.4 | 179.4 | 5.5 | 0 | 0 | 111.9 | D701 L706 E707 D708 | D701-Q704 HydrophobicContact CB-CB 4.04Å; D701-Q704 PolarHBondContact O-N 3.3Å; Q704-L706 VanDerWaalsContact C-N 3.33Å; Q704-L706 PolarHBondContact O-N 3.46Å; Q704-E707 PolarHBondContact O-N 3.13Å; Q704-D708 WeakPolarHBondContact O-CB 3.38Å; Q704-D708 PolarHBondContact O-N 2.94Å |
| 705 | L | 90.4 | Very high | 90.1 | Very high | 12 Ų | 12 | 36.7 Ų | 36.7 | 6% | 0.063 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.5 | -42.6 | 174.9 | -74.5 | -177.7 | 0 | 0 | 0 | 112.5 | V623 R624 L627 I687 V700 D701 P702 G709 | V623-L705 HydrophobicContact CG1-CD1 4.41Å; R624-L705 HydrophobicContact CG-CD2 3.6Å; L627-L705 HydrophobicContact CD1-CD1 3.82Å; I687-L705 HydrophobicContact CD1-CB 4.42Å; V700-L705 HydrophobicContact CG1-CD1 3.28Å; V700-L705 HydrophobicContact CG1-CD2 4.23Å; V700-L705 HydrophobicContact CG1-CG 3.83Å; D701-L705 WeakPolarHBondContact O-CG 3.39Å; D701-L705 PolarHBondContact O-N 2.85Å; P702-L705 PolarHBondContact O-N 3.42Å; L705-G709 PolarHBondContact O-N 2.78Å |
| 706 | L | 90.9 | Very high | 90.7 | Very high | 3 Ų | 3 | 41.7 Ų | 41.7 | 2% | 0.016 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.9 | -48.4 | 176.2 | -179.1 | 57.7 | 0 | 0 | 0 | 110.7 | I630 P631 M634 T684 I687 P702 K703 Q704 G709 I710 V762 | I630-L706 HydrophobicContact CG2-CD1 4.35Å; P631-L706 HydrophobicContact CG-CD1 4.49Å; M634-L706 HydrophobicContact CE-CD1 4.29Å; M634-L706 HydrophobicContact SD-CD1 3.81Å; T684-L706 HydrophobicContact CG2-CD2 3.78Å; I687-L706 HydrophobicContact CD1-CB 4.08Å; I687-L706 HydrophobicContact CG2-CB 4.12Å; I687-L706 HydrophobicContact CG2-CD1 4.08Å; I687-L706 HydrophobicContact CG2-CD2 3.76Å; I687-L706 HydrophobicContact CG2-CG 4.19Å; P702-L706 WeakPolarHBondContact O-CB 3.48Å; P702-L706 PolarHBondContact O-N 3.49Å; K703-L706 PolarHBondContact O-N 3.38Å; Q704-L706 VanDerWaalsContact C-N 3.33Å; Q704-L706 PolarHBondContact O-N 3.46Å; L706-G709 PolarHBondContact O-N 3.1Å; L706-I710 HydrophobicContact CD1-CD1 3.92Å; L706-I710 HydrophobicContact CD1-CG1 4.24Å; L706-I710 HydrophobicContact CG-CD1 3.88Å; L706-I710 WeakPolarHBondContact O-CB 3.08Å; L706-I710 VanDerWaalsContact O-CG1 3.28Å; L706-I710 WeakPolarHBondContact O-CG1 3.42Å; L706-I710 PolarHBondContact O-N 2.87Å; L706-V762 HydrophobicContact CD2-CG1 3.9Å; L706-V762 HydrophobicContact CG-CG1 4.43Å |
| 707 | E | 91.7 | Very high | 91.1 | Very high | 48 Ų | 48 | 44 Ų | 44 | 22% | 0.224 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.1 | -48.9 | 178.8 | -169.3 | -179.5 | 146.9 | 0 | 0 | 111.6 | K703 Q704 G709 I710 R711 I769 | K703-E707 PolarHBondContact O-N 2.77Å; Q704-E707 PolarHBondContact O-N 3.13Å; E707-G709 VanDerWaalsContact C-N 3.29Å; E707-G709 PolarHBondContact O-N 2.86Å; E707-I710 PolarHBondContact O-N 2.86Å; E707-R711 WeakPolarHBondContact O-CB 3.29Å; E707-R711 VanDerWaalsContact O-CG 3.32Å; E707-R711 WeakPolarHBondContact O-CG 3.24Å; E707-R711 PolarHBondContact O-N 3.46Å; E707-R711 IonicContact OE1-CZ 2.74Å; E707-R711 IonicContact OE1-NE 3.12Å; E707-R711 PolarHBondContact OE1-NE 3.42Å; E707-R711 IonicContact OE1-NH2 2.65Å; E707-R711 PolarHBondContact OE1-NH2 3.34Å; E707-I769 HydrophobicContact CG-CD1 3.82Å |
| 708 | D | 92.3 | Very high | 91.6 | Very high | 23 Ų | 23 | 40.2 Ų | 40.2 | 12% | 0.123 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.2 | -41 | 177 | -71.2 | -18.1 | 0 | 0 | 0 | 111.4 | R624 Q704 R711 K712 I806 | R624-D708 IonicContact CZ-OD2 3.84Å; R624-D708 IonicContact NH1-OD2 3.23Å; R624-D708 PolarHBondContact NH1-OD2 2.69Å; R624-D708 IonicContact NH2-OD2 2.84Å; R624-D708 PolarHBondContact NH2-OD2 3.02Å; R624-D708 VanDerWaalsContact NH2-OD2 3.09Å; Q704-D708 WeakPolarHBondContact O-CB 3.38Å; Q704-D708 PolarHBondContact O-N 2.94Å; D708-R711 PolarHBondContact O-N 3.45Å; D708-K712 WeakPolarHBondContact O-CB 3.4Å; D708-K712 PolarHBondContact O-N 3.32Å; D708-I806 HydrophobicContact CB-CD1 4.22Å; D708-I806 HydrophobicContact CB-CG1 4.43Å |
| 709 | G | 92.8 | Very high | 92 | Very high | 3 Ų | 3 | 37.6 Ų | 37.6 | 3% | 0.031 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -67.1 | -39.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q628 P631 L705 L706 E707 K712 E713 | Q628-G709 PolarHBondContact NE2-O 2.77Å; P631-G709 VanDerWaalsContact CB-C 3.46Å; P631-G709 WeakPolarHBondContact CB-O 3.31Å; L705-G709 PolarHBondContact O-N 2.78Å; L706-G709 PolarHBondContact O-N 3.1Å; E707-G709 VanDerWaalsContact C-N 3.29Å; E707-G709 PolarHBondContact O-N 2.86Å; G709-K712 PolarHBondContact O-N 3.33Å; G709-E713 PolarHBondContact O-N 3.39Å; G709-E713 VanDerWaalsContact O-N 3.08Å |
| 710 | I | 92.4 | Very high | 92.3 | Very high | 2 Ų | 2 | 35.4 Ų | 35.4 | 1% | 0.01 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65.8 | -46.1 | 173.9 | -72.6 | 170.1 | 0 | 0 | 0 | 110.6 | P631 M634 F635 L706 E707 K712 E713 L714 F755 V762 I764 | P631-I710 HydrophobicContact CB-CG1 4.37Å; M634-I710 HydrophobicContact CE-CD1 4.05Å; F635-I710 HydrophobicContact CE2-CB 4.35Å; F635-I710 HydrophobicContact CE2-CG2 3.98Å; F635-I710 WeakPolarHBondContact CE2-O 3.28Å; F635-I710 HydrophobicContact CZ-CG2 4.42Å; F635-I710 WeakPolarHBondContact CZ-O 3.27Å; L706-I710 HydrophobicContact CD1-CD1 3.92Å; L706-I710 HydrophobicContact CD1-CG1 4.24Å; L706-I710 HydrophobicContact CG-CD1 3.88Å; L706-I710 WeakPolarHBondContact O-CB 3.08Å; L706-I710 VanDerWaalsContact O-CG1 3.28Å; L706-I710 WeakPolarHBondContact O-CG1 3.42Å; L706-I710 PolarHBondContact O-N 2.87Å; E707-I710 PolarHBondContact O-N 2.86Å; I710-K712 VanDerWaalsContact C-N 3.27Å; I710-K712 PolarHBondContact O-N 3.08Å; I710-E713 PolarHBondContact O-N 3.37Å; I710-L714 WeakPolarHBondContact O-CB 3.31Å; I710-L714 PolarHBondContact O-N 3.17Å; I710-F755 HydrophobicContact CG2-CE1 3.61Å; I710-F755 HydrophobicContact CG2-CZ 3.73Å; I710-V762 HydrophobicContact CD1-CG1 3.51Å; I710-I764 HydrophobicContact CD1-CD1 3.95Å; I710-I764 HydrophobicContact CG2-CD1 4.08Å |
| 711 | R | 93.9 | Very high | 92.5 | Very high | 29 Ų | 29 | 36 Ų | 36 | 11% | 0.109 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -56.7 | -42.8 | 173.4 | -73.6 | 171.4 | 179.2 | -105.6 | 4.8 | 111 | E707 D708 L714 V715 I769 E772 E773 I806 | E707-R711 WeakPolarHBondContact O-CB 3.29Å; E707-R711 VanDerWaalsContact O-CG 3.32Å; E707-R711 WeakPolarHBondContact O-CG 3.24Å; E707-R711 PolarHBondContact O-N 3.46Å; E707-R711 IonicContact OE1-CZ 2.74Å; E707-R711 IonicContact OE1-NE 3.12Å; E707-R711 PolarHBondContact OE1-NE 3.42Å; E707-R711 IonicContact OE1-NH2 2.65Å; E707-R711 PolarHBondContact OE1-NH2 3.34Å; D708-R711 PolarHBondContact O-N 3.45Å; R711-L714 WeakPolarHBondContact O-CB 3.26Å; R711-L714 PolarHBondContact O-N 3Å; R711-V715 WeakPolarHBondContact O-CB 3.34Å; R711-V715 WeakPolarHBondContact O-CG2 3.03Å; R711-V715 PolarHBondContact O-N 2.84Å; R711-I769 HydrophobicContact CG-CG2 3.76Å; R711-E772 IonicContact CZ-OE2 3.82Å; R711-E772 VanDerWaalsContact CZ-OE2 3.28Å; R711-E772 IonicContact NH1-OE2 3.53Å; R711-E772 PolarHBondContact NH1-OE2 3.39Å; R711-E772 IonicContact NH2-OE2 3.1Å; R711-E772 PolarHBondContact NH2-OE2 3.04Å; R711-E773 HydrophobicContact CB-CG 4.25Å; R711-E773 WeakPolarHBondContact CD-OE1 3.4Å; R711-E773 HydrophobicContact CG-CG 4.13Å; R711-E773 IonicContact CZ-OE1 3.55Å; R711-E773 IonicContact NH1-OE1 2.71Å; R711-E773 PolarHBondContact NH1-OE1 3.4Å; R711-I806 HydrophobicContact CB-CD1 3.78Å; R711-I806 HydrophobicContact CB-CG2 4.17Å; R711-I806 HydrophobicContact CG-CD1 4.46Å |
| 712 | K | 94.6 | Very high | 92.7 | Very high | 71 Ų | 71 | 33.1 Ų | 33.1 | 31% | 0.309 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -63.2 | -44.2 | 179 | -174 | 173.5 | 179.6 | 173.5 | 0 | 113 | D708 G709 I710 K716 I806 | D708-K712 WeakPolarHBondContact O-CB 3.4Å; D708-K712 PolarHBondContact O-N 3.32Å; G709-K712 PolarHBondContact O-N 3.33Å; I710-K712 VanDerWaalsContact C-N 3.27Å; I710-K712 PolarHBondContact O-N 3.08Å; K712-K716 WeakPolarHBondContact O-CB 3.49Å; K712-K716 PolarHBondContact O-N 3.42Å; K712-I806 HydrophobicContact CB-CG2 4.03Å |
| 713 | E | 92.7 | Very high | 93 | Very high | 5 Ų | 5 | 34.2 Ų | 34.2 | 2% | 0.023 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -66.4 | -41 | 173.9 | -74.3 | -51.6 | 123.5 | 0 | 0 | 111.8 | Q628 P631 F635 G709 I710 V715 K716 R717 | Q628-E713 PolarHBondContact NE2-OE1 2.62Å; P631-E713 HydrophobicContact CB-CG 4.08Å; F635-E713 HydrophobicContact CB-CB 4.4Å; F635-E713 HydrophobicContact CD1-CB 3.97Å; F635-E713 HydrophobicContact CD2-CB 3.47Å; F635-E713 VanDerWaalsContact CD2-CB 3.47Å; F635-E713 HydrophobicContact CD2-CG 4.05Å; F635-E713 HydrophobicContact CE1-CB 3.99Å; F635-E713 HydrophobicContact CE2-CB 3.49Å; F635-E713 VanDerWaalsContact CE2-CB 3.49Å; F635-E713 HydrophobicContact CE2-CG 4.44Å; F635-E713 HydrophobicContact CG-CB 3.68Å; F635-E713 HydrophobicContact CG-CG 4.29Å; F635-E713 HydrophobicContact CZ-CB 3.72Å; G709-E713 PolarHBondContact O-N 3.39Å; G709-E713 VanDerWaalsContact O-N 3.08Å; I710-E713 PolarHBondContact O-N 3.37Å; E713-V715 PolarHBondContact O-N 3.15Å; E713-K716 PolarHBondContact O-N 3.16Å; E713-R717 WeakPolarHBondContact O-CB 3.45Å; E713-R717 WeakPolarHBondContact O-CG 3.38Å; E713-R717 PolarHBondContact O-N 3.29Å |
| 714 | L | 92.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -56.2 | -52.5 | 175.4 | 177.8 | 60 | 0 | 0 | 0 | 110.9 | F635 I710 R711 K716 R717 V718 F755 I769 W770 E773 | F635-L714 HydrophobicContact CE1-CB 4.38Å; F635-L714 HydrophobicContact CZ-CB 3.93Å; I710-L714 WeakPolarHBondContact O-CB 3.31Å; I710-L714 PolarHBondContact O-N 3.17Å; R711-L714 WeakPolarHBondContact O-CB 3.26Å; R711-L714 PolarHBondContact O-N 3Å; L714-K716 VanDerWaalsContact C-N 3.34Å; L714-K716 PolarHBondContact O-N 2.94Å; L714-R717 PolarHBondContact O-N 3.33Å; L714-V718 HydrophobicContact CD1-CG2 3.64Å; L714-V718 HydrophobicContact CG-CG2 4.3Å; L714-V718 WeakPolarHBondContact O-CB 3.31Å; L714-V718 WeakPolarHBondContact O-CG2 3.46Å; L714-V718 PolarHBondContact O-N 3.33Å; L714-F755 HydrophobicContact CB-CE2 4.44Å; L714-F755 HydrophobicContact CB-CZ 4.06Å; L714-F755 HydrophobicContact CD1-CD2 4.44Å; L714-F755 HydrophobicContact CD1-CE2 3.74Å; L714-F755 HydrophobicContact CD1-CZ 4.13Å; L714-F755 HydrophobicContact CD2-CE1 4.36Å; L714-F755 HydrophobicContact CD2-CE2 4.31Å; L714-F755 HydrophobicContact CD2-CZ 3.97Å; L714-F755 HydrophobicContact CG-CE2 4.39Å; L714-F755 HydrophobicContact CG-CZ 4.28Å; L714-I769 HydrophobicContact CD2-CG2 3.9Å; L714-W770 HydrophobicContact CD1-CE3 3.94Å; L714-W770 HydrophobicContact CD1-CZ3 3.91Å; L714-W770 HydrophobicContact CD2-CE3 4.35Å; L714-E773 HydrophobicContact CD2-CB 4.03Å; L714-E773 HydrophobicContact CD2-CG 4.25Å |
| 715 | V | 95.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -57.8 | -46.7 | -179.8 | 168.6 | 0 | 0 | 0 | 0 | 111.3 | R711 E713 R717 A719 E773 R776 I777 I806 I808 | R711-V715 WeakPolarHBondContact O-CB 3.34Å; R711-V715 WeakPolarHBondContact O-CG2 3.03Å; R711-V715 PolarHBondContact O-N 2.84Å; E713-V715 PolarHBondContact O-N 3.15Å; V715-R717 PolarHBondContact O-N 3.13Å; V715-A719 WeakPolarHBondContact O-CB 3.12Å; V715-A719 PolarHBondContact O-N 3.17Å; V715-E773 HydrophobicContact CG2-CB 3.98Å; V715-E773 HydrophobicContact CG2-CG 4.09Å; V715-E773 WeakPolarHBondContact CG2-OE2 3.39Å; V715-R776 VanDerWaalsContact CG2-NH2 3.34Å; V715-I777 HydrophobicContact CB-CD1 4.25Å; V715-I777 HydrophobicContact CG1-CD1 4.26Å; V715-I777 HydrophobicContact CG1-CG1 4.09Å; V715-I777 HydrophobicContact CG2-CD1 4.14Å; V715-I777 HydrophobicContact CG2-CG1 4.36Å; V715-I806 HydrophobicContact CB-CG2 4.49Å; V715-I806 HydrophobicContact CG2-CG2 4.04Å; V715-I808 HydrophobicContact CG1-CB 4.39Å; V715-I808 HydrophobicContact CG1-CG1 3.94Å |
| 716 | K | 93.9 | Very high | 93.3 | Very high | 110 Ų | 110 | 34 Ų | 34 | 48% | 0.478 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -60.1 | -44.9 | 178.5 | -174.6 | -179.1 | 178.3 | -175.3 | 0 | 111.9 | K712 E713 L714 F720 | K712-K716 WeakPolarHBondContact O-CB 3.49Å; K712-K716 PolarHBondContact O-N 3.42Å; E713-K716 PolarHBondContact O-N 3.16Å; L714-K716 VanDerWaalsContact C-N 3.34Å; L714-K716 PolarHBondContact O-N 2.94Å; K716-F720 VanDerWaalsContact O-CB 3.24Å; K716-F720 WeakPolarHBondContact O-CB 3.29Å; K716-F720 PolarHBondContact O-N 3.03Å; K716-F720 VanDerWaalsContact O-N 3.13Å |
| 717 | R | 91.5 | Very high | 93.4 | Very high | 77 Ų | 77 | 36.5 Ų | 36.5 | 29% | 0.291 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -72.2 | -45 | -177.4 | -63.2 | -69.6 | 176.4 | 150.7 | 3.9 | 112.1 | F635 L639 E713 L714 V715 F720 A721 F751 | F635-R717 HydrophobicContact CD1-CG 4.31Å; L639-R717 VanDerWaalsContact CD1-NH1 3.29Å; E713-R717 WeakPolarHBondContact O-CB 3.45Å; E713-R717 WeakPolarHBondContact O-CG 3.38Å; E713-R717 PolarHBondContact O-N 3.29Å; L714-R717 PolarHBondContact O-N 3.33Å; V715-R717 PolarHBondContact O-N 3.13Å; R717-F720 PolarHBondContact O-N 2.91Å; R717-A721 WeakPolarHBondContact O-CB 3.29Å; R717-A721 PolarHBondContact O-N 2.64Å; R717-F751 HydrophobicContact CB-CE1 4.29Å; R717-F751 HydrophobicContact CB-CZ 3.98Å |
| 718 | V | 93.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66.6 | -47.3 | 178.6 | 169.8 | 0 | 0 | 0 | 0 | 110.9 | L714 F720 A721 L722 M748 F751 W770 V774 I777 | L714-V718 HydrophobicContact CD1-CG2 3.64Å; L714-V718 HydrophobicContact CG-CG2 4.3Å; L714-V718 WeakPolarHBondContact O-CB 3.31Å; L714-V718 WeakPolarHBondContact O-CG2 3.46Å; L714-V718 PolarHBondContact O-N 3.33Å; V718-F720 VanDerWaalsContact C-N 3.29Å; V718-F720 PolarHBondContact O-N 2.72Å; V718-A721 PolarHBondContact O-N 3.16Å; V718-A721 VanDerWaalsContact O-N 3.17Å; V718-L722 HydrophobicContact CG1-CD1 3.75Å; V718-L722 HydrophobicContact CG1-CG 4.39Å; V718-L722 WeakPolarHBondContact O-CG 3.45Å; V718-L722 PolarHBondContact O-N 2.87Å; V718-M748 HydrophobicContact CG1-CE 3.81Å; V718-M748 HydrophobicContact CG1-SD 4.11Å; V718-F751 HydrophobicContact CG2-CD2 4.1Å; V718-F751 HydrophobicContact CG2-CE2 4.38Å; V718-W770 HydrophobicContact CG2-CH2 4.39Å; V718-W770 HydrophobicContact CG2-CZ3 3.91Å; V718-V774 HydrophobicContact CG1-CG2 4.48Å; V718-I777 HydrophobicContact CB-CD1 3.85Å; V718-I777 HydrophobicContact CG1-CD1 3.66Å |
| 719 | A | 95.5 | Very high | 93.1 | Very high | 2 Ų | 2 | 37.9 Ų | 37.9 | 2% | 0.017 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.8 | -38.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V715 H723 I777 P809 F811 | V715-A719 WeakPolarHBondContact O-CB 3.12Å; V715-A719 PolarHBondContact O-N 3.17Å; A719-H723 VanDerWaalsContact O-CB 3.29Å; A719-H723 WeakPolarHBondContact O-CB 3.29Å; A719-H723 PolarHBondContact O-N 3Å; A719-I777 HydrophobicContact CB-CG2 4.18Å; A719-P809 HydrophobicContact CB-CG 3.62Å; A719-F811 HydrophobicContact CB-CE2 4.16Å; A719-F811 HydrophobicContact CB-CZ 4.44Å |
| 720 | F | 94.5 | Very high | 92.2 | Very high | 106 Ų | 106 | 42.4 Ų | 42.4 | 47% | 0.465 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -66.6 | -42.4 | 174.3 | -177.9 | -99.8 | 0 | 0 | 0 | 112.7 | K716 R717 V718 H723 R724 F811 | K716-F720 VanDerWaalsContact O-CB 3.24Å; K716-F720 WeakPolarHBondContact O-CB 3.29Å; K716-F720 PolarHBondContact O-N 3.03Å; K716-F720 VanDerWaalsContact O-N 3.13Å; R717-F720 PolarHBondContact O-N 2.91Å; V718-F720 VanDerWaalsContact C-N 3.29Å; V718-F720 PolarHBondContact O-N 2.72Å; F720-H723 PolarHBondContact O-N 3.33Å; F720-R724 WeakPolarHBondContact O-CB 3.37Å; F720-R724 PolarHBondContact O-N 3.38Å; F720-F811 HydrophobicContact CB-CZ 4.2Å; F720-F811 HydrophobicContact CD2-CE1 4.02Å; F720-F811 HydrophobicContact CD2-CZ 4.39Å |
| 721 | A | 93.1 | Very high | 91.5 | Very high | 16 Ų | 16 | 53.1 Ų | 53.1 | 13% | 0.132 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.4 | -46.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | R717 V718 G725 L744 T747 F751 | R717-A721 WeakPolarHBondContact O-CB 3.29Å; R717-A721 PolarHBondContact O-N 2.64Å; V718-A721 PolarHBondContact O-N 3.16Å; V718-A721 VanDerWaalsContact O-N 3.17Å; A721-G725 WeakPolarHBondContact O-CA 3.32Å; A721-G725 PolarHBondContact O-N 3.19Å; A721-L744 HydrophobicContact CB-CD1 4.17Å; A721-T747 HydrophobicContact CB-CG2 4.46Å; A721-F751 HydrophobicContact CB-CE2 4.42Å |
| 722 | L | 95 | Very high | 90.7 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.8 | -46.9 | 174.8 | -71.4 | 163.1 | 0 | 0 | 0 | 111.5 | V718 L726 L744 I777 F820 L868 | V718-L722 HydrophobicContact CG1-CD1 3.75Å; V718-L722 HydrophobicContact CG1-CG 4.39Å; V718-L722 WeakPolarHBondContact O-CG 3.45Å; V718-L722 PolarHBondContact O-N 2.87Å; L722-L726 WeakPolarHBondContact O-CB 3.36Å; L722-L726 PolarHBondContact O-N 3.36Å; L722-L744 HydrophobicContact CD2-CD2 4.16Å; L722-I777 HydrophobicContact CD1-CG2 3.78Å; L722-F820 HydrophobicContact CB-CD1 3.77Å; L722-F820 HydrophobicContact CB-CD2 4.31Å; L722-F820 HydrophobicContact CB-CE1 3.81Å; L722-F820 HydrophobicContact CB-CE2 4.36Å; L722-F820 HydrophobicContact CB-CG 4.04Å; L722-F820 HydrophobicContact CB-CZ 4.12Å; L722-F820 HydrophobicContact CD1-CE1 3.88Å; L722-F820 HydrophobicContact CD1-CZ 3.8Å; L722-F820 HydrophobicContact CD2-CD2 4.47Å; L722-F820 HydrophobicContact CD2-CE2 4.03Å; L722-F820 HydrophobicContact CD2-CZ 4.12Å; L722-F820 HydrophobicContact CG-CE1 4.33Å; L722-F820 HydrophobicContact CG-CZ 4.25Å; L722-L868 HydrophobicContact CD2-CD2 3.9Å; L722-L868 HydrophobicContact CD2-CG 4.22Å |
| 723 | H | 94.4 | Very high | 89.6 | Confident | 26 Ų | 26 | 59.2 Ų | 59.2 | 12% | 0.12 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.7 | -50.4 | 179.7 | 177.4 | 83.1 | 0 | 0 | 0 | 111.9 | A719 F720 I727 F811 R823 | A719-H723 VanDerWaalsContact O-CB 3.29Å; A719-H723 WeakPolarHBondContact O-CB 3.29Å; A719-H723 PolarHBondContact O-N 3Å; F720-H723 PolarHBondContact O-N 3.33Å; H723-I727 VanDerWaalsContact O-CG1 3.29Å; H723-I727 WeakPolarHBondContact O-CG1 3.22Å; H723-F811 HydrophobicContact CB-CD2 3.65Å; H723-F811 HydrophobicContact CB-CE2 3.7Å; H723-F811 HydrophobicContact CB-CG 4.11Å; H723-F811 HydrophobicContact CB-CZ 4.22Å; H723-F811 AromaticContact CD2-CG 3.92Å; H723-F811 WeakPolarHBondContact CE1-CB 3.45Å; H723-F811 AromaticContact CE1-CG 3.87Å; H723-F811 AromaticContact CG-CD2 3.6Å; H723-F811 AromaticContact CG-CG 3.59Å; H723-F811 WeakPolarHBondContact ND1-CB 3.38Å; H723-F811 AromaticContact ND1-CD2 3.62Å; H723-F811 AromaticContact ND1-CG 3.55Å; H723-R823 PolarHBondContact ND1-NH2 3.01Å; H723-R823 VanDerWaalsContact ND1-NH2 3.15Å; H723-R823 PolarHBondContact O-NH2 3.38Å |
| 724 | R | 93.3 | Very high | 88.9 | Confident | 172 Ų | 172 | 63.8 Ų | 63.8 | 65% | 0.649 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -75.2 | -39.6 | -176.2 | -173 | -175.3 | 177.8 | -154.7 | -1.6 | 112.8 | F720 L726 | F720-R724 WeakPolarHBondContact O-CB 3.37Å; F720-R724 PolarHBondContact O-N 3.38Å; R724-L726 VanDerWaalsContact C-N 3.31Å; R724-L726 PolarHBondContact O-N 2.87Å |
| 725 | G | 91.8 | Very high | 88.4 | Confident | 21 Ų | 21 | 65.8 Ų | 65.8 | 22% | 0.216 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.1 | -36.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A721 I727 | A721-G725 WeakPolarHBondContact O-CA 3.32Å; A721-G725 PolarHBondContact O-N 3.19Å; G725-I727 PolarHBondContact O-N 3.1Å |
| 726 | L | 93.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102 | 47 | -176.5 | -57.1 | 172.4 | 0 | 0 | 0 | 112.4 | L722 R724 F728 L741 L744 F820 R823 L824 L868 | L722-L726 WeakPolarHBondContact O-CB 3.36Å; L722-L726 PolarHBondContact O-N 3.36Å; R724-L726 VanDerWaalsContact C-N 3.31Å; R724-L726 PolarHBondContact O-N 2.87Å; L726-F728 HydrophobicContact CB-CE2 4.2Å; L726-F728 HydrophobicContact CB-CZ 4.19Å; L726-F728 HydrophobicContact CD2-CZ 3.84Å; L726-L741 HydrophobicContact CD2-CD2 4.02Å; L726-L744 HydrophobicContact CD1-CD2 4.07Å; L726-L744 HydrophobicContact CD2-CD2 4Å; L726-L744 HydrophobicContact CG-CD2 3.83Å; L726-F820 HydrophobicContact CB-CB 4.27Å; L726-F820 HydrophobicContact CD1-CB 4.28Å; L726-F820 HydrophobicContact CD1-CD2 3.49Å; L726-F820 VanDerWaalsContact CD1-CD2 3.49Å; L726-F820 HydrophobicContact CD1-CE2 4.26Å; L726-F820 HydrophobicContact CD1-CG 4.23Å; L726-R823 PolarHBondContact O-NE 3.44Å; L726-L824 HydrophobicContact CD1-CD2 4.45Å; L726-L824 HydrophobicContact CD2-CD1 4.44Å; L726-L868 HydrophobicContact CD1-CD2 4.4Å |
| 727 | I | 92.6 | Very high | 87.9 | Confident | 55 Ų | 55 | 63.9 Ų | 63.9 | 28% | 0.282 | 31% | 0.311 | S | S | . | . | trans | -105.2 | 122.6 | 165.9 | -61.1 | 175.5 | 0 | 0 | 0 | 107.3 | H723 G725 K740 V814 | H723-I727 VanDerWaalsContact O-CG1 3.29Å; H723-I727 WeakPolarHBondContact O-CG1 3.22Å; G725-I727 PolarHBondContact O-N 3.1Å; I727-K740 WeakPolarHBondContact O-CE 3.32Å; I727-K740 PolarHBondContact O-NZ 2.83Å; I727-V814 HydrophobicContact CD1-CG2 4.46Å; I727-V814 HydrophobicContact CG2-CG1 4.39Å | ||
| 728 | F | 90.4 | Very high | 88 | Confident | 23 Ų | 23 | 62.8 Ų | 62.8 | 10% | 0.101 | 31% | 0.31 | C | S | . | . | trans | -112 | 146.5 | -176.1 | -54.9 | -72.3 | 0 | 0 | 0 | 110.8 | L726 P730 L737 K740 R823 L824 E827 | L726-F728 HydrophobicContact CB-CE2 4.2Å; L726-F728 HydrophobicContact CB-CZ 4.19Å; L726-F728 HydrophobicContact CD2-CZ 3.84Å; F728-P730 WeakPolarHBondContact O-CD 3.37Å; F728-L737 HydrophobicContact CE1-CB 4.44Å; F728-L737 HydrophobicContact CE1-CD1 3.78Å; F728-L737 HydrophobicContact CZ-CD1 3.62Å; F728-K740 HydrophobicContact CD1-CD 3.76Å; F728-K740 HydrophobicContact CE1-CB 4.36Å; F728-K740 HydrophobicContact CE1-CD 3.75Å; F728-R823 HydrophobicContact CD2-CB 4.41Å; F728-R823 HydrophobicContact CE2-CB 4.44Å; F728-L824 HydrophobicContact CZ-CD1 4.41Å; F728-E827 HydrophobicContact CB-CG 4.25Å; F728-E827 HydrophobicContact CD1-CG 3.94Å; F728-E827 HydrophobicContact CD2-CB 3.62Å; F728-E827 HydrophobicContact CD2-CG 3.82Å; F728-E827 HydrophobicContact CE1-CG 4.25Å; F728-E827 HydrophobicContact CE2-CB 3.85Å; F728-E827 HydrophobicContact CE2-CG 4.13Å; F728-E827 HydrophobicContact CG-CB 4.05Å; F728-E827 HydrophobicContact CG-CG 3.71Å; F728-E827 HydrophobicContact CZ-CB 4.45Å; F728-E827 HydrophobicContact CZ-CG 4.33Å | ||
| 729 | N | 86.6 | Confident | 87.9 | Confident | 78 Ų | 78 | 66.7 Ų | 66.7 | 42% | 0.417 | 34% | 0.335 | S | S | . | . | trans | -93.2 | 112.7 | 170.5 | -177.4 | -4.6 | 0 | 0 | 0 | 110.4 | R731 A732 E736 | N729-R731 PolarHBondContact O-N 3.36Å; N729-R731 PolarHBondContact OD1-N 3.4Å; N729-A732 HydrophobicContact CB-CB 4.37Å; N729-A732 WeakPolarHBondContact O-CB 3.48Å; N729-A732 PolarHBondContact O-N 2.96Å; N729-E736 PolarHBondContact N-OE2 2.74Å | ||
| 730 | P | 75.1 | Confident | 87.8 | Confident | 97 Ų | 97 | 68.9 Ų | 68.9 | 63% | 0.63 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -18.2 | -178.6 | -22.2 | 33.2 | 0 | 0 | 0 | 114.2 | F728 | F728-P730 WeakPolarHBondContact O-CD 3.37Š|
| 731 | R | 78 | Confident | 87.8 | Confident | 227 Ų | 227 | 63.9 Ų | 63.9 | 86% | 0.857 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | -1.7 | -179.4 | -60.6 | -177.2 | -179.7 | 179.6 | 0.8 | 113.6 | N729 K733 | N729-R731 PolarHBondContact O-N 3.36Å; N729-R731 PolarHBondContact OD1-N 3.4Å; R731-K733 PolarHBondContact O-N 2.87Å |
| 732 | A | 76.1 | Confident | 87.8 | Confident | 20 Ų | 20 | 68.7 Ų | 68.7 | 17% | 0.165 | 34% | 0.34 | C | S | . | . | trans | -64 | 132.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | N729 P734 E736 | N729-A732 HydrophobicContact CB-CB 4.37Å; N729-A732 WeakPolarHBondContact O-CB 3.48Å; N729-A732 PolarHBondContact O-N 2.96Å; A732-P734 WeakPolarHBondContact CB-O 3.05Å; A732-E736 HydrophobicContact CB-CG 4Å | ||
| 733 | K | 70.8 | Confident | 87.6 | Confident | 209 Ų | 209 | 75.4 Ų | 75.4 | 91% | 0.909 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -70.3 | -56.1 | 179.5 | -71.5 | -175.7 | -179 | -178.6 | 0 | 111.5 | R731 | R731-K733 PolarHBondContact O-N 2.87Š|
| 734 | P | 78.4 | Confident | 87.6 | Confident | 101 Ų | 101 | 74.4 Ų | 74.4 | 66% | 0.656 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -79.9 | 148.6 | 164.6 | 32.9 | -33.3 | 0 | 0 | 0 | 110.5 | A732 E736 | A732-P734 WeakPolarHBondContact CB-O 3.05Å; P734-E736 PolarHBondContact O-N 3.33Å |
| 735 | S | 81.9 | Confident | 87.5 | Confident | 42 Ų | 42 | 66.6 Ų | 66.6 | 29% | 0.294 | 34% | 0.34 | S | S | . | . | trans | -64.3 | 128.7 | 172.1 | 177.2 | 0 | 0 | 0 | 0 | 110.8 | L737 | S735-L737 VanDerWaalsContact C-N 3.27Å; S735-L737 VanDerWaalsContact OG-CB 3.31Å; S735-L737 WeakPolarHBondContact OG-CB 3.37Å; S735-L737 PolarHBondContact OG-N 3.44Å | ||
| 736 | E | 89.1 | Confident | 87.4 | Confident | 66 Ų | 66 | 68.5 Ų | 68.5 | 31% | 0.308 | 35% | 0.354 | S | S | . | . | trans | -84.3 | -3.8 | 174.9 | -62.1 | 179.9 | 160.7 | 0 | 0 | 112.3 | N729 A732 P734 P739 K740 | N729-E736 PolarHBondContact N-OE2 2.74Å; A732-E736 HydrophobicContact CB-CG 4Å; P734-E736 PolarHBondContact O-N 3.33Å; E736-P739 WeakPolarHBondContact O-CD 3.27Å; E736-K740 HydrophobicContact CB-CD 3.96Å; E736-K740 WeakPolarHBondContact O-CB 3.42Å; E736-K740 WeakPolarHBondContact O-CG 3.25Å; E736-K740 PolarHBondContact O-N 3Å; E736-K740 VanDerWaalsContact O-N 3.1Å; E736-K740 WeakPolarHBondContact OE2-CE 3.49Å | ||
| 737 | L | 91.2 | Very high | 87.2 | Confident | 3 Ų | 3 | 71.3 Ų | 71.3 | 2% | 0.016 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -58.7 | -54.6 | -171.4 | 179.5 | 59.8 | 0 | 0 | 0 | 112.6 | F728 S735 K740 L741 L824 E827 I828 I831 L860 | F728-L737 HydrophobicContact CE1-CB 4.44Å; F728-L737 HydrophobicContact CE1-CD1 3.78Å; F728-L737 HydrophobicContact CZ-CD1 3.62Å; S735-L737 VanDerWaalsContact C-N 3.27Å; S735-L737 VanDerWaalsContact OG-CB 3.31Å; S735-L737 WeakPolarHBondContact OG-CB 3.37Å; S735-L737 PolarHBondContact OG-N 3.44Å; L737-K740 PolarHBondContact O-N 3.16Å; L737-L741 HydrophobicContact CD1-CD1 3.86Å; L737-L741 HydrophobicContact CD1-CG 4.1Å; L737-L741 HydrophobicContact CG-CD1 3.97Å; L737-L741 WeakPolarHBondContact O-CB 3.37Å; L737-L741 WeakPolarHBondContact O-CG 3.34Å; L737-L741 PolarHBondContact O-N 3.05Å; L737-L824 HydrophobicContact CD1-CD1 3.54Å; L737-E827 HydrophobicContact CB-CG 4.36Å; L737-E827 HydrophobicContact CD1-CG 4.41Å; L737-I828 HydrophobicContact CD2-CG1 3.92Å; L737-I831 HydrophobicContact CD2-CD1 3.57Å; L737-L860 HydrophobicContact CD2-CD1 3.69Å; L737-L860 HydrophobicContact CD2-CD2 4.19Å; L737-L860 HydrophobicContact CG-CD1 4.12Å |
| 738 | M | 91.9 | Very high | 87.1 | Confident | 54 Ų | 54 | 69 Ų | 69 | 27% | 0.266 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -67.9 | -44.7 | -174.3 | -171.1 | 50.1 | 48.8 | 0 | 0 | 113.2 | K740 L741 K742 L860 E863 | M738-K740 PolarHBondContact O-N 3.32Å; M738-L741 HydrophobicContact CE-CD1 4.13Å; M738-L741 PolarHBondContact O-N 3.26Å; M738-K742 WeakPolarHBondContact O-CG 3.42Å; M738-K742 PolarHBondContact O-N 3.03Å; M738-K742 VanDerWaalsContact O-N 3.11Å; M738-K742 HydrophobicContact SD-CG 4.47Å; M738-L860 HydrophobicContact CE-CB 4.23Å; M738-L860 HydrophobicContact CE-CD1 3.46Å; M738-L860 VanDerWaalsContact CE-CD1 3.46Å; M738-L860 HydrophobicContact CE-CG 4.46Å; M738-E863 HydrophobicContact CE-CB 4.08Å; M738-E863 HydrophobicContact CE-CG 4.29Å; M738-E863 HydrophobicContact SD-CB 4.02Å; M738-E863 HydrophobicContact SD-CG 3.72Å |
| 739 | P | 92.4 | Very high | 87 | Confident | 83 Ų | 83 | 70.9 Ų | 70.9 | 54% | 0.539 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -57.5 | -44.1 | 171.7 | -25.9 | 34.8 | 0 | 0 | 0 | 113.6 | E736 K742 E743 | E736-P739 WeakPolarHBondContact O-CD 3.27Å; P739-K742 PolarHBondContact O-N 2.69Å; P739-E743 PolarHBondContact O-N 3.4Å; P739-E743 VanDerWaalsContact O-N 3.07Å |
| 740 | K | 93.5 | Very high | 86.9 | Confident | 48 Ų | 48 | 67.4 Ų | 67.4 | 21% | 0.209 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -67 | -38.4 | 179.7 | -77.9 | 172.8 | 171.9 | -88 | 0 | 112.7 | I727 F728 E736 L737 M738 L744 | I727-K740 WeakPolarHBondContact O-CE 3.32Å; I727-K740 PolarHBondContact O-NZ 2.83Å; F728-K740 HydrophobicContact CD1-CD 3.76Å; F728-K740 HydrophobicContact CE1-CB 4.36Å; F728-K740 HydrophobicContact CE1-CD 3.75Å; E736-K740 HydrophobicContact CB-CD 3.96Å; E736-K740 WeakPolarHBondContact O-CB 3.42Å; E736-K740 WeakPolarHBondContact O-CG 3.25Å; E736-K740 PolarHBondContact O-N 3Å; E736-K740 VanDerWaalsContact O-N 3.1Å; E736-K740 WeakPolarHBondContact OE2-CE 3.49Å; L737-K740 PolarHBondContact O-N 3.16Å; M738-K740 PolarHBondContact O-N 3.32Å; K740-L744 VanDerWaalsContact O-CB 3.3Å; K740-L744 WeakPolarHBondContact O-CB 3.34Å; K740-L744 PolarHBondContact O-N 3.13Å |
| 741 | L | 94.4 | Very high | 87.5 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.1 | -45 | 174.4 | -76.2 | 172.2 | 0 | 0 | 0 | 111.2 | L726 L737 M738 E743 L744 G745 L824 L860 E863 I864 T867 L868 | L726-L741 HydrophobicContact CD2-CD2 4.02Å; L737-L741 HydrophobicContact CD1-CD1 3.86Å; L737-L741 HydrophobicContact CD1-CG 4.1Å; L737-L741 HydrophobicContact CG-CD1 3.97Å; L737-L741 WeakPolarHBondContact O-CB 3.37Å; L737-L741 WeakPolarHBondContact O-CG 3.34Å; L737-L741 PolarHBondContact O-N 3.05Å; M738-L741 HydrophobicContact CE-CD1 4.13Å; M738-L741 PolarHBondContact O-N 3.26Å; L741-E743 PolarHBondContact O-N 3.32Å; L741-L744 PolarHBondContact O-N 3.13Å; L741-G745 PolarHBondContact O-N 3.32Å; L741-L824 HydrophobicContact CD2-CD1 4.46Å; L741-L860 HydrophobicContact CD1-CD1 3.66Å; L741-E863 HydrophobicContact CB-CG 3.85Å; L741-I864 HydrophobicContact CD1-CG1 3.76Å; L741-I864 HydrophobicContact CD2-CG1 4.24Å; L741-T867 HydrophobicContact CD2-CG2 4.32Å; L741-T867 PolarHBondContact O-OG1 3.42Å; L741-L868 HydrophobicContact CD2-CD1 4.18Å |
| 742 | K | 93.1 | Very high | 88 | Confident | 117 Ų | 117 | 55.4 Ų | 55.4 | 51% | 0.509 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.4 | -43.2 | 177.7 | -73.3 | 179.9 | 176.8 | -171.8 | 0 | 113.3 | M738 P739 L744 G745 A746 E863 | M738-K742 WeakPolarHBondContact O-CG 3.42Å; M738-K742 PolarHBondContact O-N 3.03Å; M738-K742 VanDerWaalsContact O-N 3.11Å; M738-K742 HydrophobicContact SD-CG 4.47Å; P739-K742 PolarHBondContact O-N 2.69Å; K742-L744 VanDerWaalsContact C-N 3.34Å; K742-G745 PolarHBondContact O-N 2.93Å; K742-A746 PolarHBondContact O-N 2.86Å; K742-E863 HydrophobicContact CG-CG 4.34Å; K742-E863 WeakPolarHBondContact CG-OE1 3.36Å |
| 743 | E | 91.5 | Very high | 88.5 | Confident | 141 Ų | 141 | 60.2 Ų | 60.2 | 66% | 0.659 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -62.7 | -43.1 | 176.1 | -174.4 | -175.3 | 173.3 | 0 | 0 | 111.4 | P739 L741 T747 | P739-E743 PolarHBondContact O-N 3.4Å; P739-E743 VanDerWaalsContact O-N 3.07Å; L741-E743 PolarHBondContact O-N 3.32Å; E743-T747 PolarHBondContact O-N 3.32Å; E743-T747 VanDerWaalsContact O-N 3.13Å; E743-T747 PolarHBondContact O-OG1 2.96Å |
| 744 | L | 93.7 | Very high | 89.1 | Confident | 6 Ų | 6 | 50.3 Ų | 50.3 | 3% | 0.031 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.2 | -42 | 177 | -178.1 | 61.2 | 0 | 0 | 0 | 111.6 | A721 L722 L726 K740 L741 K742 A746 T747 M748 T867 | A721-L744 HydrophobicContact CB-CD1 4.17Å; L722-L744 HydrophobicContact CD2-CD2 4.16Å; L726-L744 HydrophobicContact CD1-CD2 4.07Å; L726-L744 HydrophobicContact CD2-CD2 4Å; L726-L744 HydrophobicContact CG-CD2 3.83Å; K740-L744 VanDerWaalsContact O-CB 3.3Å; K740-L744 WeakPolarHBondContact O-CB 3.34Å; K740-L744 PolarHBondContact O-N 3.13Å; L741-L744 PolarHBondContact O-N 3.13Å; K742-L744 VanDerWaalsContact C-N 3.34Å; L744-A746 PolarHBondContact O-N 3.49Å; L744-T747 WeakPolarHBondContact O-CA 3.31Å; L744-T747 WeakPolarHBondContact O-CB 3.09Å; L744-T747 PolarHBondContact O-N 2.84Å; L744-T747 VanDerWaalsContact O-N 3.08Å; L744-M748 HydrophobicContact CD1-CG 4.3Å; L744-M748 HydrophobicContact CG-CG 4.37Å; L744-M748 VanDerWaalsContact O-CG 3.31Å; L744-M748 WeakPolarHBondContact O-CG 3.45Å; L744-M748 PolarHBondContact O-N 3.49Å; L744-T867 HydrophobicContact CB-CG2 3.81Å; L744-T867 HydrophobicContact CD2-CG2 3.58Å; L744-T867 HydrophobicContact CG-CG2 3.49Å; L744-T867 VanDerWaalsContact CG-CG2 3.49Å |
| 745 | G | 92.3 | Very high | 89.4 | Confident | 8 Ų | 8 | 45.5 Ų | 45.5 | 8% | 0.082 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.2 | -45.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L741 K742 T747 M748 D749 | L741-G745 PolarHBondContact O-N 3.32Å; K742-G745 PolarHBondContact O-N 2.93Å; G745-T747 VanDerWaalsContact C-N 3.29Å; G745-T747 PolarHBondContact O-N 3.27Å; G745-M748 PolarHBondContact O-N 3.15Å; G745-D749 WeakPolarHBondContact O-CB 3.28Å; G745-D749 PolarHBondContact O-N 3.24Å |
| 746 | A | 88.6 | Confident | 89.5 | Confident | 60 Ų | 60 | 49 Ų | 49 | 50% | 0.496 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.9 | -37.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | K742 L744 G750 | K742-A746 PolarHBondContact O-N 2.86Å; L744-A746 PolarHBondContact O-N 3.49Å; A746-G750 PolarHBondContact O-N 2.99Å |
| 747 | T | 88.8 | Confident | 89.2 | Confident | 59 Ų | 59 | 49 Ų | 49 | 36% | 0.362 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -66.6 | -42.9 | 176.2 | -56.3 | 0 | 0 | 0 | 0 | 111.7 | A721 E743 L744 G745 G750 F751 | A721-T747 HydrophobicContact CB-CG2 4.46Å; E743-T747 PolarHBondContact O-N 3.32Å; E743-T747 VanDerWaalsContact O-N 3.13Å; E743-T747 PolarHBondContact O-OG1 2.96Å; L744-T747 WeakPolarHBondContact O-CA 3.31Å; L744-T747 WeakPolarHBondContact O-CB 3.09Å; L744-T747 PolarHBondContact O-N 2.84Å; L744-T747 VanDerWaalsContact O-N 3.08Å; G745-T747 VanDerWaalsContact C-N 3.29Å; G745-T747 PolarHBondContact O-N 3.27Å; T747-G750 PolarHBondContact O-N 3.22Å; T747-F751 HydrophobicContact CG2-CD2 4.37Å; T747-F751 HydrophobicContact CG2-CE2 3.83Å; T747-F751 HydrophobicContact CG2-CZ 4.43Å; T747-F751 WeakPolarHBondContact O-CD2 3.25Å; T747-F751 PolarHBondContact O-N 2.99Å; T747-F751 VanDerWaalsContact O-N 3.14Å |
| 748 | M | 90.7 | Very high | 89 | Confident | 8 Ų | 8 | 49.2 Ų | 49.2 | 4% | 0.039 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -67.2 | -42.4 | 179 | -67.1 | -63.6 | -75.3 | 0 | 0 | 111.9 | V718 L744 G745 G750 F751 H752 W770 V774 | V718-M748 HydrophobicContact CG1-CE 3.81Å; V718-M748 HydrophobicContact CG1-SD 4.11Å; L744-M748 HydrophobicContact CD1-CG 4.3Å; L744-M748 HydrophobicContact CG-CG 4.37Å; L744-M748 VanDerWaalsContact O-CG 3.31Å; L744-M748 WeakPolarHBondContact O-CG 3.45Å; L744-M748 PolarHBondContact O-N 3.49Å; G745-M748 PolarHBondContact O-N 3.15Å; M748-G750 VanDerWaalsContact C-N 3.32Å; M748-G750 PolarHBondContact O-N 3.4Å; M748-F751 PolarHBondContact O-N 3.37Å; M748-F751 HydrophobicContact SD-CD2 4.42Å; M748-H752 PolarHBondContact O-N 3.47Å; M748-W770 HydrophobicContact CB-CH2 4.33Å; M748-W770 HydrophobicContact CB-CZ2 4.45Å; M748-W770 HydrophobicContact CE-CH2 3.56Å; M748-W770 HydrophobicContact CE-CZ2 3.84Å; M748-W770 WeakPolarHBondContact O-CH2 3.44Å; M748-W770 HydrophobicContact SD-CH2 4.1Å; M748-V774 HydrophobicContact CE-CG1 4.41Å; M748-V774 HydrophobicContact CE-CG2 4.28Å |
| 749 | D | 88 | Confident | 88.8 | Confident | 62 Ų | 62 | 49.1 Ų | 49.1 | 33% | 0.332 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.6 | -40.1 | 173.2 | -175.9 | 41.2 | 0 | 0 | 0 | 111.5 | G745 F751 H752 R753 | G745-D749 WeakPolarHBondContact O-CB 3.28Å; G745-D749 PolarHBondContact O-N 3.24Å; D749-F751 VanDerWaalsContact C-N 3.33Å; D749-F751 PolarHBondContact O-N 2.95Å; D749-H752 PolarHBondContact O-N 3.26Å; D749-R753 WeakPolarHBondContact O-CG 3.46Å; D749-R753 PolarHBondContact O-N 3.36Å; D749-R753 IonicContact OD1-NE 2.7Å; D749-R753 PolarHBondContact OD1-NE 3.49Å; D749-R753 IonicContact OD1-NH2 2.73Å; D749-R753 IonicContact OD2-CZ 3.6Å; D749-R753 IonicContact OD2-NE 2.91Å; D749-R753 PolarHBondContact OD2-NE 2.99Å; D749-R753 IonicContact OD2-NH2 3.45Å; D749-R753 PolarHBondContact OD2-NH2 3.3Å |
| 750 | G | 86.3 | Confident | 88.5 | Confident | 5 Ų | 5 | 51.6 Ų | 51.6 | 5% | 0.052 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -56.9 | -43.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113 | A746 T747 M748 S754 | A746-G750 PolarHBondContact O-N 2.99Å; T747-G750 PolarHBondContact O-N 3.22Å; M748-G750 VanDerWaalsContact C-N 3.32Å; M748-G750 PolarHBondContact O-N 3.4Å; G750-S754 VanDerWaalsContact O-CB 3.32Å; G750-S754 WeakPolarHBondContact O-CB 3.35Å; G750-S754 PolarHBondContact O-N 3.41Å; G750-S754 PolarHBondContact O-OG 2.78Å |
| 751 | F | 87.8 | Confident | 88.1 | Confident | 14 Ų | 14 | 54.6 Ų | 54.6 | 6% | 0.061 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.3 | -46.6 | 173.9 | -70.4 | -52.4 | 0 | 0 | 0 | 112.2 | L639 I642 R717 V718 A721 T747 M748 D749 S754 F755 W770 | L639-F751 HydrophobicContact CD2-CE1 3.96Å; I642-F751 HydrophobicContact CD1-CD1 3.89Å; I642-F751 HydrophobicContact CD1-CE1 4.28Å; R717-F751 HydrophobicContact CB-CE1 4.29Å; R717-F751 HydrophobicContact CB-CZ 3.98Å; V718-F751 HydrophobicContact CG2-CD2 4.1Å; V718-F751 HydrophobicContact CG2-CE2 4.38Å; A721-F751 HydrophobicContact CB-CE2 4.42Å; T747-F751 HydrophobicContact CG2-CD2 4.37Å; T747-F751 HydrophobicContact CG2-CE2 3.83Å; T747-F751 HydrophobicContact CG2-CZ 4.43Å; T747-F751 WeakPolarHBondContact O-CD2 3.25Å; T747-F751 PolarHBondContact O-N 2.99Å; T747-F751 VanDerWaalsContact O-N 3.14Å; M748-F751 PolarHBondContact O-N 3.37Å; M748-F751 HydrophobicContact SD-CD2 4.42Å; D749-F751 VanDerWaalsContact C-N 3.33Å; D749-F751 PolarHBondContact O-N 2.95Å; F751-S754 PolarHBondContact O-N 2.85Å; F751-S754 PolarHBondContact O-OG 2.8Å; F751-F755 PolarHBondContact O-N 2.91Å; F751-F755 VanDerWaalsContact O-N 3.17Å; F751-W770 HydrophobicContact CB-CE3 4.32Å; F751-W770 HydrophobicContact CB-CH2 3.74Å; F751-W770 HydrophobicContact CB-CZ3 3.39Å; F751-W770 HydrophobicContact CG-CZ3 4.31Å |
| 752 | H | 88.3 | Confident | 87.6 | Confident | 57 Ų | 57 | 54.8 Ų | 54.8 | 26% | 0.264 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -55.6 | -54.1 | 179.5 | 176.1 | -97.8 | 0 | 0 | 0 | 112.1 | M748 D749 S754 F755 E756 L767 W770 | M748-H752 PolarHBondContact O-N 3.47Å; D749-H752 PolarHBondContact O-N 3.26Å; H752-S754 VanDerWaalsContact C-N 3.27Å; H752-S754 PolarHBondContact O-N 2.99Å; H752-F755 PolarHBondContact O-N 3.05Å; H752-E756 PolarHBondContact O-N 3.18Å; H752-L767 VanDerWaalsContact NE2-CD1 3.33Å; H752-L767 WeakPolarHBondContact NE2-CD1 3.28Å; H752-W770 HydrophobicContact CB-CD2 4.41Å; H752-W770 HydrophobicContact CB-CZ2 4.15Å; H752-W770 AromaticContact CD2-CD1 3.58Å; H752-W770 AromaticContact CD2-NE1 3.65Å |
| 753 | R | 85.2 | Confident | 87.3 | Confident | 122 Ų | 122 | 54.3 Ų | 54.3 | 46% | 0.46 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -60.9 | -35.8 | 179 | -66.5 | -178.6 | -168.4 | -158.2 | 5.9 | 112.8 | D749 F755 E756 Y757 | D749-R753 WeakPolarHBondContact O-CG 3.46Å; D749-R753 PolarHBondContact O-N 3.36Å; D749-R753 IonicContact OD1-NE 2.7Å; D749-R753 PolarHBondContact OD1-NE 3.49Å; D749-R753 IonicContact OD1-NH2 2.73Å; D749-R753 IonicContact OD2-CZ 3.6Å; D749-R753 IonicContact OD2-NE 2.91Å; D749-R753 PolarHBondContact OD2-NE 2.99Å; D749-R753 IonicContact OD2-NH2 3.45Å; D749-R753 PolarHBondContact OD2-NH2 3.3Å; R753-F755 VanDerWaalsContact C-N 3.33Å; R753-F755 PolarHBondContact O-N 3.01Å; R753-E756 PolarHBondContact O-N 3.03Å; R753-Y757 WeakPolarHBondContact O-CB 3.16Å; R753-Y757 PolarHBondContact O-N 3.07Å |
| 754 | S | 83.6 | Confident | 87.1 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66 | -37.2 | 179.8 | 78.8 | 0 | 0 | 0 | 0 | 112.8 | G750 F751 H752 Y757 I758 | G750-S754 VanDerWaalsContact O-CB 3.32Å; G750-S754 WeakPolarHBondContact O-CB 3.35Å; G750-S754 PolarHBondContact O-N 3.41Å; G750-S754 PolarHBondContact O-OG 2.78Å; F751-S754 PolarHBondContact O-N 2.85Å; F751-S754 PolarHBondContact O-OG 2.8Å; H752-S754 VanDerWaalsContact C-N 3.27Å; H752-S754 PolarHBondContact O-N 2.99Å; S754-Y757 PolarHBondContact O-N 3.23Å; S754-I758 WeakPolarHBondContact O-CG1 3.41Å; S754-I758 PolarHBondContact O-N 3.48Å |
| 755 | F | 85.1 | Confident | 86.8 | Confident | 1 Ų | 1 | 56.5 Ų | 56.5 | 0% | 0.004 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -70.3 | -39.5 | 176.9 | -96.8 | -97.1 | 0 | 0 | 0 | 111.6 | F635 L638 I710 L714 F751 H752 R753 Y757 I758 Q759 I764 I769 | F635-F755 HydrophobicContact CE1-CE2 4.12Å; F635-F755 HydrophobicContact CE1-CZ 4.38Å; F635-F755 HydrophobicContact CE2-CZ 4.26Å; F635-F755 AromaticContact CZ-CE2 3.78Å; F635-F755 HydrophobicContact CZ-CE2 3.78Å; F635-F755 AromaticContact CZ-CZ 3.59Å; F635-F755 HydrophobicContact CZ-CZ 3.59Å; L638-F755 HydrophobicContact CD2-CE2 4.26Å; I710-F755 HydrophobicContact CG2-CE1 3.61Å; I710-F755 HydrophobicContact CG2-CZ 3.73Å; L714-F755 HydrophobicContact CB-CE2 4.44Å; L714-F755 HydrophobicContact CB-CZ 4.06Å; L714-F755 HydrophobicContact CD1-CD2 4.44Å; L714-F755 HydrophobicContact CD1-CE2 3.74Å; L714-F755 HydrophobicContact CD1-CZ 4.13Å; L714-F755 HydrophobicContact CD2-CE1 4.36Å; L714-F755 HydrophobicContact CD2-CE2 4.31Å; L714-F755 HydrophobicContact CD2-CZ 3.97Å; L714-F755 HydrophobicContact CG-CE2 4.39Å; L714-F755 HydrophobicContact CG-CZ 4.28Å; F751-F755 PolarHBondContact O-N 2.91Å; F751-F755 VanDerWaalsContact O-N 3.17Å; H752-F755 PolarHBondContact O-N 3.05Å; R753-F755 VanDerWaalsContact C-N 3.33Å; R753-F755 PolarHBondContact O-N 3.01Å; F755-Y757 VanDerWaalsContact C-N 3.26Å; F755-Y757 PolarHBondContact O-N 3.32Å; F755-I758 PolarHBondContact O-N 3.12Å; F755-Q759 WeakPolarHBondContact O-CB 3.16Å; F755-Q759 PolarHBondContact O-N 3.32Å; F755-Q759 VanDerWaalsContact O-N 3.15Å; F755-I764 HydrophobicContact CE1-CD1 4.45Å; F755-I769 HydrophobicContact CE1-CG2 4.19Å |
| 756 | E | 84.5 | Confident | 86.7 | Confident | 114 Ų | 114 | 56.1 Ų | 56.1 | 53% | 0.533 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -59.8 | -39 | 170.7 | -172.9 | 177.7 | -169.7 | 0 | 0 | 111.5 | H752 R753 Q759 | H752-E756 PolarHBondContact O-N 3.18Å; R753-E756 PolarHBondContact O-N 3.03Å; E756-Q759 VanDerWaalsContact O-CG 3.31Å; E756-Q759 WeakPolarHBondContact O-CG 3.48Å; E756-Q759 PolarHBondContact O-NE2 3.34Å |
| 757 | Y | 83.5 | Confident | 86.7 | Confident | 68 Ų | 68 | 57.4 Ų | 57.4 | 27% | 0.267 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -69.8 | -42.5 | 178.8 | 179.3 | -101.2 | 0 | 0 | 0 | 113.6 | I641 V673 T677 R753 S754 F755 | I641-Y757 HydrophobicContact CD1-CE1 4.38Å; I641-Y757 HydrophobicContact CG2-CD1 4.13Å; I641-Y757 HydrophobicContact CG2-CE1 4.15Å; V673-Y757 HydrophobicContact CG1-CE1 4.23Å; V673-Y757 WeakPolarHBondContact CG1-OH 3.32Å; T677-Y757 HydrophobicContact CG2-CE1 4.3Å; T677-Y757 WeakPolarHBondContact OG1-CE1 3.07Å; T677-Y757 PolarHBondContact OG1-OH 2.82Å; T677-Y757 VanDerWaalsContact OG1-OH 3.1Å; R753-Y757 WeakPolarHBondContact O-CB 3.16Å; R753-Y757 PolarHBondContact O-N 3.07Å; S754-Y757 PolarHBondContact O-N 3.23Å; F755-Y757 VanDerWaalsContact C-N 3.26Å; F755-Y757 PolarHBondContact O-N 3.32Å |
| 758 | I | 85.6 | Confident | 86.8 | Confident | 6 Ų | 6 | 60.1 Ų | 60.1 | 3% | 0.031 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -86.6 | -11.4 | -175.4 | 66.9 | 170.8 | 0 | 0 | 0 | 114.8 | L638 I680 S754 F755 D760 Y761 V762 | L638-I758 HydrophobicContact CD1-CD1 4.04Å; L638-I758 HydrophobicContact CD1-CG1 4.43Å; L638-I758 HydrophobicContact CD1-CG2 3.5Å; L638-I758 HydrophobicContact CD2-CD1 3.94Å; I680-I758 HydrophobicContact CD1-CG2 4.24Å; S754-I758 WeakPolarHBondContact O-CG1 3.41Å; S754-I758 PolarHBondContact O-N 3.48Å; F755-I758 PolarHBondContact O-N 3.12Å; I758-D760 VanDerWaalsContact C-N 3.26Å; I758-D760 PolarHBondContact O-N 3.17Å; I758-D760 VanDerWaalsContact O-N 3.15Å; I758-Y761 PolarHBondContact O-N 3.36Å; I758-V762 HydrophobicContact CB-CG2 4.36Å; I758-V762 HydrophobicContact CD1-CG2 4.42Å; I758-V762 PolarHBondContact O-N 3.48Å; I758-V762 VanDerWaalsContact O-N 3.17Å |
| 759 | Q | 88.9 | Confident | 86.9 | Confident | 52 Ų | 52 | 59.8 Ų | 59.8 | 24% | 0.243 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -53.6 | -40.6 | -169.5 | 70.7 | -172.1 | -32.7 | 0 | 0 | 113.5 | F755 E756 V762 N763 I764 | F755-Q759 WeakPolarHBondContact O-CB 3.16Å; F755-Q759 PolarHBondContact O-N 3.32Å; F755-Q759 VanDerWaalsContact O-N 3.15Å; E756-Q759 VanDerWaalsContact O-CG 3.31Å; E756-Q759 WeakPolarHBondContact O-CG 3.48Å; E756-Q759 PolarHBondContact O-NE2 3.34Å; Q759-V762 PolarHBondContact O-N 2.83Å; Q759-N763 WeakPolarHBondContact O-CA 3.32Å; Q759-N763 PolarHBondContact O-N 3.06Å; Q759-I764 WeakPolarHBondContact CB-O 3.47Å; Q759-I764 PolarHBondContact O-N 2.9Å |
| 760 | D | 85.3 | Confident | 87.1 | Confident | 136 Ų | 136 | 58.2 Ų | 58.2 | 73% | 0.727 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -73 | -34.4 | -178.6 | -65.9 | -26.9 | 0 | 0 | 0 | 112.4 | I758 V762 | I758-D760 VanDerWaalsContact C-N 3.26Å; I758-D760 PolarHBondContact O-N 3.17Å; I758-D760 VanDerWaalsContact O-N 3.15Å; D760-V762 VanDerWaalsContact C-N 3.3Å; D760-V762 PolarHBondContact O-N 2.9Å |
| 761 | Y | 84.8 | Confident | 87.3 | Confident | 110 Ų | 110 | 63.3 Ų | 63.3 | 43% | 0.431 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -73.5 | -24.8 | 179.7 | -61.2 | -79.6 | 0 | 0 | 0 | 112.8 | T677 I758 | T677-Y761 HydrophobicContact CG2-CD1 3.64Å; T677-Y761 HydrophobicContact CG2-CD2 3.66Å; T677-Y761 HydrophobicContact CG2-CE1 3.51Å; T677-Y761 HydrophobicContact CG2-CE2 3.52Å; T677-Y761 HydrophobicContact CG2-CG 3.7Å; T677-Y761 VanDerWaalsContact CG2-CZ 3.44Å; I758-Y761 PolarHBondContact O-N 3.36Å |
| 762 | V | 85.1 | Confident | 87.6 | Confident | 4 Ų | 4 | 66.3 Ų | 66.3 | 2% | 0.024 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -106.3 | -11.9 | -177.3 | -171.5 | 0 | 0 | 0 | 0 | 111.9 | M634 I680 T684 L706 I710 I758 Q759 D760 I764 | M634-V762 HydrophobicContact CE-CB 4.48Å; M634-V762 HydrophobicContact CE-CG1 3.88Å; M634-V762 HydrophobicContact CE-CG2 3.65Å; I680-V762 HydrophobicContact CG2-CG2 3.88Å; T684-V762 HydrophobicContact CG2-CG1 4.26Å; L706-V762 HydrophobicContact CD2-CG1 3.9Å; L706-V762 HydrophobicContact CG-CG1 4.43Å; I710-V762 HydrophobicContact CD1-CG1 3.51Å; I758-V762 HydrophobicContact CB-CG2 4.36Å; I758-V762 HydrophobicContact CD1-CG2 4.42Å; I758-V762 PolarHBondContact O-N 3.48Å; I758-V762 VanDerWaalsContact O-N 3.17Å; Q759-V762 PolarHBondContact O-N 2.83Å; D760-V762 VanDerWaalsContact C-N 3.3Å; D760-V762 PolarHBondContact O-N 2.9Å; V762-I764 HydrophobicContact CB-CD1 4.27Å; V762-I764 HydrophobicContact CB-CG1 4.12Å; V762-I764 HydrophobicContact CG1-CD1 4.02Å; V762-I764 HydrophobicContact CG1-CG1 4.18Å; V762-I764 HydrophobicContact CG1-CG2 3.99Å |
| 763 | N | 85.9 | Confident | 87.9 | Confident | 108 Ų | 108 | 63.9 Ų | 63.9 | 58% | 0.578 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.8 | 50.2 | -176.9 | -171.4 | 20.9 | 0 | 0 | 0 | 113 | K703 Q759 | K703-N763 WeakPolarHBondContact CE-O 3.35Å; K703-N763 PolarHBondContact NZ-ND2 2.99Å; K703-N763 PolarHBondContact NZ-O 3.43Å; Q759-N763 WeakPolarHBondContact O-CA 3.32Å; Q759-N763 PolarHBondContact O-N 3.06Å |
| 764 | I | 87.3 | Confident | 88.3 | Confident | 12 Ų | 12 | 58.6 Ų | 58.6 | 6% | 0.062 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -128 | 156.1 | 178.2 | 61.9 | 175.6 | 0 | 0 | 0 | 110.8 | I710 F755 Q759 V762 G766 I769 | I710-I764 HydrophobicContact CD1-CD1 3.95Å; I710-I764 HydrophobicContact CG2-CD1 4.08Å; F755-I764 HydrophobicContact CE1-CD1 4.45Å; Q759-I764 WeakPolarHBondContact CB-O 3.47Å; Q759-I764 PolarHBondContact O-N 2.9Å; V762-I764 HydrophobicContact CB-CD1 4.27Å; V762-I764 HydrophobicContact CB-CG1 4.12Å; V762-I764 HydrophobicContact CG1-CD1 4.02Å; V762-I764 HydrophobicContact CG1-CG1 4.18Å; V762-I764 HydrophobicContact CG1-CG2 3.99Å; I764-G766 PolarHBondContact O-N 3.42Å; I764-G766 VanDerWaalsContact O-N 3.15Å; I764-I769 HydrophobicContact CB-CD1 4.02Å; I764-I769 HydrophobicContact CD1-CD1 4.06Å; I764-I769 HydrophobicContact CG1-CD1 4.4Å |
| 765 | Y | 88.7 | Confident | 88.8 | Confident | 180 Ų | 180 | 59.6 Ų | 59.6 | 71% | 0.706 | 28% | 0.277 | S | S | * | . | trans | -85.3 | 84.4 | 174.5 | -65.4 | -81.2 | 0 | 0 | 0 | 110.6 | L767 K768 I769 | Y765-L767 PolarHBondContact O-N 2.87Å; Y765-K768 PolarHBondContact O-N 3.23Å; Y765-I769 WeakPolarHBondContact O-CG1 3.24Å; Y765-I769 PolarHBondContact O-N 2.76Å | ||
| 766 | G | 89.6 | Confident | 89.3 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -56 | -47.6 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114 | I764 K768 I769 W770 | I764-G766 PolarHBondContact O-N 3.42Å; I764-G766 VanDerWaalsContact O-N 3.15Å; G766-K768 PolarHBondContact O-N 3.02Å; G766-I769 PolarHBondContact O-N 3.47Å; G766-W770 PolarHBondContact O-N 2.91Å |
| 767 | L | 88.4 | Confident | 89.9 | Confident | 88 Ų | 88 | 55.9 Ų | 55.9 | 46% | 0.461 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.8 | -40.9 | 179.5 | -178.4 | 62.7 | 0 | 0 | 0 | 112.8 | H752 Y765 W770 Q771 | H752-L767 VanDerWaalsContact NE2-CD1 3.33Å; H752-L767 WeakPolarHBondContact NE2-CD1 3.28Å; Y765-L767 PolarHBondContact O-N 2.87Å; L767-W770 PolarHBondContact O-N 3.41Å; L767-Q771 HydrophobicContact CD1-CG 4.49Å; L767-Q771 WeakPolarHBondContact O-CG 3.38Å; L767-Q771 PolarHBondContact O-N 2.92Å |
| 768 | K | 91.1 | Very high | 90.5 | Very high | 115 Ų | 115 | 52.7 Ų | 52.7 | 50% | 0.5 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.6 | -48.5 | 178.1 | 178.9 | -179 | 172.4 | -177.7 | 0 | 110.7 | Y765 G766 W770 Q771 E772 | Y765-K768 PolarHBondContact O-N 3.23Å; G766-K768 PolarHBondContact O-N 3.02Å; K768-W770 VanDerWaalsContact C-N 3.31Å; K768-W770 PolarHBondContact O-N 2.9Å; K768-Q771 PolarHBondContact O-N 2.81Å; K768-E772 WeakPolarHBondContact CE-OE1 3.49Å; K768-E772 HydrophobicContact CG-CG 4.4Å; K768-E772 IonicContact NZ-OE1 2.71Å; K768-E772 WeakPolarHBondContact O-CB 3.31Å; K768-E772 WeakPolarHBondContact O-CG 3.39Å; K768-E772 PolarHBondContact O-N 3.42Å |
| 769 | I | 92.2 | Very high | 90.9 | Very high | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.005 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -59 | -44.7 | 177.9 | -71.4 | 168.8 | 0 | 0 | 0 | 110.6 | E707 R711 L714 F755 I764 Y765 G766 E772 E773 | E707-I769 HydrophobicContact CG-CD1 3.82Å; R711-I769 HydrophobicContact CG-CG2 3.76Å; L714-I769 HydrophobicContact CD2-CG2 3.9Å; F755-I769 HydrophobicContact CE1-CG2 4.19Å; I764-I769 HydrophobicContact CB-CD1 4.02Å; I764-I769 HydrophobicContact CD1-CD1 4.06Å; I764-I769 HydrophobicContact CG1-CD1 4.4Å; Y765-I769 WeakPolarHBondContact O-CG1 3.24Å; Y765-I769 PolarHBondContact O-N 2.76Å; G766-I769 PolarHBondContact O-N 3.47Å; I769-E772 PolarHBondContact O-N 2.9Å; I769-E773 HydrophobicContact CG2-CG 4.24Å; I769-E773 WeakPolarHBondContact O-CB 3.35Å; I769-E773 WeakPolarHBondContact O-CG 3.38Å; I769-E773 PolarHBondContact O-N 2.89Å |
| 770 | W | 92.4 | Very high | 91.2 | Very high | 30 Ų | 30 | 51.2 Ų | 51.2 | 11% | 0.114 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -56.9 | -51.7 | 176.3 | 173.5 | -100 | 0 | 0 | 0 | 112.2 | L714 V718 M748 F751 H752 G766 L767 K768 V774 | L714-W770 HydrophobicContact CD1-CE3 3.94Å; L714-W770 HydrophobicContact CD1-CZ3 3.91Å; L714-W770 HydrophobicContact CD2-CE3 4.35Å; V718-W770 HydrophobicContact CG2-CH2 4.39Å; V718-W770 HydrophobicContact CG2-CZ3 3.91Å; M748-W770 HydrophobicContact CB-CH2 4.33Å; M748-W770 HydrophobicContact CB-CZ2 4.45Å; M748-W770 HydrophobicContact CE-CH2 3.56Å; M748-W770 HydrophobicContact CE-CZ2 3.84Å; M748-W770 WeakPolarHBondContact O-CH2 3.44Å; M748-W770 HydrophobicContact SD-CH2 4.1Å; F751-W770 HydrophobicContact CB-CE3 4.32Å; F751-W770 HydrophobicContact CB-CH2 3.74Å; F751-W770 HydrophobicContact CB-CZ3 3.39Å; F751-W770 HydrophobicContact CG-CZ3 4.31Å; H752-W770 HydrophobicContact CB-CD2 4.41Å; H752-W770 HydrophobicContact CB-CZ2 4.15Å; H752-W770 AromaticContact CD2-CD1 3.58Å; H752-W770 AromaticContact CD2-NE1 3.65Å; G766-W770 PolarHBondContact O-N 2.91Å; L767-W770 PolarHBondContact O-N 3.41Å; K768-W770 VanDerWaalsContact C-N 3.31Å; K768-W770 PolarHBondContact O-N 2.9Å; W770-V774 HydrophobicContact CD2-CG2 3.77Å; W770-V774 HydrophobicContact CE3-CG2 3.9Å; W770-V774 HydrophobicContact CG-CG2 4.41Å; W770-V774 HydrophobicContact CH2-CG2 3.97Å; W770-V774 HydrophobicContact CZ2-CG2 3.84Å; W770-V774 HydrophobicContact CZ3-CG2 3.98Å; W770-V774 WeakPolarHBondContact O-CB 3.46Å; W770-V774 VanDerWaalsContact O-CG2 3.25Å; W770-V774 WeakPolarHBondContact O-CG2 3.46Å; W770-V774 PolarHBondContact O-N 3.45Å |
| 771 | Q | 90.6 | Very high | 91.7 | Very high | 112 Ų | 112 | 45.3 Ų | 45.3 | 52% | 0.523 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -63.5 | -44 | -178.4 | -71.5 | 178 | -8 | 0 | 0 | 112.5 | L767 K768 S775 | L767-Q771 HydrophobicContact CD1-CG 4.49Å; L767-Q771 WeakPolarHBondContact O-CG 3.38Å; L767-Q771 PolarHBondContact O-N 2.92Å; K768-Q771 PolarHBondContact O-N 2.81Å; Q771-S775 WeakPolarHBondContact O-CB 3.42Å; Q771-S775 PolarHBondContact O-N 3.26Å; Q771-S775 VanDerWaalsContact O-N 3.15Å |
| 772 | E | 93.3 | Very high | 92.2 | Very high | 77 Ų | 77 | 40.1 Ų | 40.1 | 36% | 0.36 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -61.9 | -50.4 | 178 | -73.5 | 177.2 | 173.5 | 0 | 0 | 111.5 | R711 K768 I769 R776 | R711-E772 IonicContact CZ-OE2 3.82Å; R711-E772 VanDerWaalsContact CZ-OE2 3.28Å; R711-E772 IonicContact NH1-OE2 3.53Å; R711-E772 PolarHBondContact NH1-OE2 3.39Å; R711-E772 IonicContact NH2-OE2 3.1Å; R711-E772 PolarHBondContact NH2-OE2 3.04Å; K768-E772 WeakPolarHBondContact CE-OE1 3.49Å; K768-E772 HydrophobicContact CG-CG 4.4Å; K768-E772 IonicContact NZ-OE1 2.71Å; K768-E772 WeakPolarHBondContact O-CB 3.31Å; K768-E772 WeakPolarHBondContact O-CG 3.39Å; K768-E772 PolarHBondContact O-N 3.42Å; I769-E772 PolarHBondContact O-N 2.9Å; E772-R776 VanDerWaalsContact O-CB 3.31Å; E772-R776 WeakPolarHBondContact O-CB 3.44Å; E772-R776 PolarHBondContact O-N 3.21Å |
| 773 | E | 94.7 | Very high | 92.6 | Very high | 6 Ų | 6 | 40.6 Ų | 40.6 | 3% | 0.028 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -74.3 | -39.4 | -174 | -63.3 | -54.1 | 147.5 | 0 | 0 | 112.7 | R711 L714 V715 I769 R776 I777 | R711-E773 HydrophobicContact CB-CG 4.25Å; R711-E773 WeakPolarHBondContact CD-OE1 3.4Å; R711-E773 HydrophobicContact CG-CG 4.13Å; R711-E773 IonicContact CZ-OE1 3.55Å; R711-E773 IonicContact NH1-OE1 2.71Å; R711-E773 PolarHBondContact NH1-OE1 3.4Å; L714-E773 HydrophobicContact CD2-CB 4.03Å; L714-E773 HydrophobicContact CD2-CG 4.25Å; V715-E773 HydrophobicContact CG2-CB 3.98Å; V715-E773 HydrophobicContact CG2-CG 4.09Å; V715-E773 WeakPolarHBondContact CG2-OE2 3.39Å; I769-E773 HydrophobicContact CG2-CG 4.24Å; I769-E773 WeakPolarHBondContact O-CB 3.35Å; I769-E773 WeakPolarHBondContact O-CG 3.38Å; I769-E773 PolarHBondContact O-N 2.89Å; E773-R776 PolarHBondContact O-N 3.28Å; E773-R776 IonicContact OE2-CZ 3.09Å; E773-R776 IonicContact OE2-NE 3.42Å; E773-R776 PolarHBondContact OE2-NE 3.13Å; E773-R776 IonicContact OE2-NH2 3.78Å; E773-R776 PolarHBondContact OE2-NH2 3.47Å; E773-I777 WeakPolarHBondContact O-CD1 3.5Å; E773-I777 WeakPolarHBondContact O-CG1 3.46Å; E773-I777 PolarHBondContact O-N 3.45Å |
| 774 | V | 93.9 | Very high | 92.9 | Very high | 10 Ų | 10 | 36.4 Ų | 36.4 | 6% | 0.061 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.8 | -43.4 | 176.1 | 172.9 | 0 | 0 | 0 | 0 | 110.6 | V718 M748 W770 R776 I777 I778 | V718-V774 HydrophobicContact CG1-CG2 4.48Å; M748-V774 HydrophobicContact CE-CG1 4.41Å; M748-V774 HydrophobicContact CE-CG2 4.28Å; W770-V774 HydrophobicContact CD2-CG2 3.77Å; W770-V774 HydrophobicContact CE3-CG2 3.9Å; W770-V774 HydrophobicContact CG-CG2 4.41Å; W770-V774 HydrophobicContact CH2-CG2 3.97Å; W770-V774 HydrophobicContact CZ2-CG2 3.84Å; W770-V774 HydrophobicContact CZ3-CG2 3.98Å; W770-V774 WeakPolarHBondContact O-CB 3.46Å; W770-V774 VanDerWaalsContact O-CG2 3.25Å; W770-V774 WeakPolarHBondContact O-CG2 3.46Å; W770-V774 PolarHBondContact O-N 3.45Å; V774-R776 VanDerWaalsContact C-N 3.34Å; V774-R776 PolarHBondContact O-N 2.92Å; V774-I777 PolarHBondContact O-N 2.95Å; V774-I778 HydrophobicContact CG1-CD1 3.79Å; V774-I778 WeakPolarHBondContact O-CG1 3.23Å; V774-I778 PolarHBondContact O-N 2.85Å |
| 775 | S | 93.9 | Very high | 93.2 | Very high | 22 Ų | 22 | 35.9 Ų | 35.9 | 15% | 0.154 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -57.3 | -47.9 | 173.3 | -179.4 | 0 | 0 | 0 | 0 | 111.4 | Q771 I777 I778 N779 F871 | Q771-S775 WeakPolarHBondContact O-CB 3.42Å; Q771-S775 PolarHBondContact O-N 3.26Å; Q771-S775 VanDerWaalsContact O-N 3.15Å; S775-I777 PolarHBondContact O-N 3.46Å; S775-I778 PolarHBondContact O-N 2.87Å; S775-N779 WeakPolarHBondContact O-CB 3.33Å; S775-N779 PolarHBondContact O-N 3.42Å; S775-N779 PolarHBondContact O-ND2 2.86Å; S775-N779 PolarHBondContact OG-ND2 2.93Å; S775-N779 VanDerWaalsContact OG-ND2 3.13Å; S775-F871 WeakPolarHBondContact OG-CD1 3.38Å; S775-F871 VanDerWaalsContact OG-CE1 3.25Å; S775-F871 WeakPolarHBondContact OG-CE1 3.34Å |
| 776 | R | 96.1 | Very high | 93.3 | Very high | 37 Ų | 37 | 27.4 Ų | 27.4 | 14% | 0.14 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61.6 | -45.1 | -179.4 | -161.5 | -179.5 | 65 | 140.2 | 6 | 112.3 | V715 E772 E773 V774 Y780 Y801 I806 I808 | V715-R776 VanDerWaalsContact CG2-NH2 3.34Å; E772-R776 VanDerWaalsContact O-CB 3.31Å; E772-R776 WeakPolarHBondContact O-CB 3.44Å; E772-R776 PolarHBondContact O-N 3.21Å; E773-R776 PolarHBondContact O-N 3.28Å; E773-R776 IonicContact OE2-CZ 3.09Å; E773-R776 IonicContact OE2-NE 3.42Å; E773-R776 PolarHBondContact OE2-NE 3.13Å; E773-R776 IonicContact OE2-NH2 3.78Å; E773-R776 PolarHBondContact OE2-NH2 3.47Å; V774-R776 VanDerWaalsContact C-N 3.34Å; V774-R776 PolarHBondContact O-N 2.92Å; R776-Y780 VanDerWaalsContact O-CB 3.24Å; R776-Y780 WeakPolarHBondContact O-CB 3.16Å; R776-Y780 PolarHBondContact O-N 2.84Å; R776-Y801 WeakPolarHBondContact CD-O 3.3Å; R776-Y801 HydrophobicContact CG-CD1 4.36Å; R776-Y801 WeakPolarHBondContact CG-O 3.14Å; R776-I806 PolarHBondContact NH1-O 3.11Å; R776-I806 VanDerWaalsContact NH1-O 3.09Å; R776-I806 PolarHBondContact NH2-O 3.4Å; R776-I808 HydrophobicContact CG-CD1 4.1Å |
| 777 | I | 96.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.9 | -49.7 | 178.1 | -66.8 | 159.9 | 0 | 0 | 0 | 110.9 | V715 V718 A719 L722 E773 V774 S775 N781 I808 | V715-I777 HydrophobicContact CB-CD1 4.25Å; V715-I777 HydrophobicContact CG1-CD1 4.26Å; V715-I777 HydrophobicContact CG1-CG1 4.09Å; V715-I777 HydrophobicContact CG2-CD1 4.14Å; V715-I777 HydrophobicContact CG2-CG1 4.36Å; V718-I777 HydrophobicContact CB-CD1 3.85Å; V718-I777 HydrophobicContact CG1-CD1 3.66Å; A719-I777 HydrophobicContact CB-CG2 4.18Å; L722-I777 HydrophobicContact CD1-CG2 3.78Å; E773-I777 WeakPolarHBondContact O-CD1 3.5Å; E773-I777 WeakPolarHBondContact O-CG1 3.46Å; E773-I777 PolarHBondContact O-N 3.45Å; V774-I777 PolarHBondContact O-N 2.95Å; S775-I777 PolarHBondContact O-N 3.46Å; I777-N781 PolarHBondContact O-N 3.37Å; I777-N781 VanDerWaalsContact O-N 3.11Å; I777-N781 PolarHBondContact O-ND2 2.82Å; I777-I808 HydrophobicContact CG1-CG1 4.47Å |
| 778 | I | 95.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -65.8 | -49.9 | -176.5 | -67.4 | 170.9 | 0 | 0 | 0 | 110.1 | V774 S775 Y780 N781 V782 F820 L868 F871 | V774-I778 HydrophobicContact CG1-CD1 3.79Å; V774-I778 WeakPolarHBondContact O-CG1 3.23Å; V774-I778 PolarHBondContact O-N 2.85Å; S775-I778 PolarHBondContact O-N 2.87Å; I778-Y780 VanDerWaalsContact C-N 3.34Å; I778-Y780 PolarHBondContact O-N 3.45Å; I778-N781 PolarHBondContact O-N 2.93Å; I778-N781 VanDerWaalsContact O-N 3.16Å; I778-V782 HydrophobicContact CG2-CG2 4.23Å; I778-V782 VanDerWaalsContact O-CG2 3.25Å; I778-V782 WeakPolarHBondContact O-CG2 3.36Å; I778-V782 PolarHBondContact O-N 3.17Å; I778-F820 HydrophobicContact CG1-CZ 4.35Å; I778-L868 HydrophobicContact CD1-CB 4.18Å; I778-L868 WeakPolarHBondContact CD1-O 3.5Å; I778-F871 HydrophobicContact CB-CB 4.25Å; I778-F871 HydrophobicContact CD1-CB 4.12Å; I778-F871 HydrophobicContact CG2-CB 4.05Å |
| 779 | N | 95.2 | Very high | 93 | Very high | 24 Ų | 24 | 24.3 Ų | 24.3 | 13% | 0.128 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -63.7 | -38.6 | -177.9 | -72.5 | -44.4 | 0 | 0 | 0 | 112.6 | S775 V782 E783 Y801 | S775-N779 WeakPolarHBondContact O-CB 3.33Å; S775-N779 PolarHBondContact O-N 3.42Å; S775-N779 PolarHBondContact O-ND2 2.86Å; S775-N779 PolarHBondContact OG-ND2 2.93Å; S775-N779 VanDerWaalsContact OG-ND2 3.13Å; N779-V782 PolarHBondContact O-N 2.88Å; N779-E783 WeakPolarHBondContact O-CB 3.32Å; N779-E783 PolarHBondContact O-N 3.44Å; N779-Y801 HydrophobicContact CB-CD1 3.83Å; N779-Y801 HydrophobicContact CB-CD2 4.13Å; N779-Y801 HydrophobicContact CB-CE1 3.49Å; N779-Y801 VanDerWaalsContact CB-CE1 3.49Å; N779-Y801 HydrophobicContact CB-CE2 3.8Å; N779-Y801 HydrophobicContact CB-CG 4.14Å; N779-Y801 VanDerWaalsContact CB-CZ 3.47Å |
| 780 | Y | 95.8 | Very high | 92.6 | Very high | 3 Ų | 3 | 27 Ų | 27 | 1% | 0.012 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59.3 | -48.7 | 172 | 177.6 | -105.8 | 0 | 0 | 0 | 111.8 | R776 I778 V782 E783 Q784 D796 Q802 I808 K810 | R776-Y780 VanDerWaalsContact O-CB 3.24Å; R776-Y780 WeakPolarHBondContact O-CB 3.16Å; R776-Y780 PolarHBondContact O-N 2.84Å; I778-Y780 VanDerWaalsContact C-N 3.34Å; I778-Y780 PolarHBondContact O-N 3.45Å; Y780-V782 VanDerWaalsContact C-N 3.31Å; Y780-V782 PolarHBondContact O-N 3.3Å; Y780-E783 PolarHBondContact O-N 2.98Å; Y780-Q784 HydrophobicContact CD1-CG 4.26Å; Y780-Q784 HydrophobicContact CD2-CG 4.18Å; Y780-Q784 HydrophobicContact CE1-CG 3.88Å; Y780-Q784 HydrophobicContact CE2-CG 3.76Å; Y780-Q784 HydrophobicContact CG-CG 4.41Å; Y780-Q784 VanDerWaalsContact O-CG 3.3Å; Y780-Q784 WeakPolarHBondContact O-CG 3.49Å; Y780-Q784 PolarHBondContact O-N 3.46Å; Y780-D796 PolarHBondContact OH-OD1 3.29Å; Y780-Q802 HydrophobicContact CD2-CB 4.28Å; Y780-Q802 HydrophobicContact CE2-CB 3.97Å; Y780-Q802 HydrophobicContact CE2-CG 4.44Å; Y780-Q802 PolarHBondContact OH-NE2 2.91Å; Y780-I808 VanDerWaalsContact CB-CD1 3.44Å; Y780-I808 HydrophobicContact CD1-CB 3.84Å; Y780-I808 HydrophobicContact CD1-CD1 3.93Å; Y780-I808 HydrophobicContact CD1-CG2 3.57Å; Y780-I808 HydrophobicContact CD2-CD1 4.41Å; Y780-I808 HydrophobicContact CE1-CB 4.08Å; Y780-I808 HydrophobicContact CE1-CG2 3.97Å; Y780-I808 HydrophobicContact CG-CB 4.4Å; Y780-I808 HydrophobicContact CG-CD1 3.67Å; Y780-I808 HydrophobicContact CG-CG2 4.42Å; Y780-K810 WeakPolarHBondContact OH-CE 3.14Å |
| 781 | N | 95.1 | Very high | 92.1 | Very high | 13 Ų | 13 | 30.3 Ų | 30.3 | 7% | 0.07 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -66 | -34.6 | -179.6 | -79.6 | -89.9 | 0 | 0 | 0 | 112.1 | I777 I778 E785 T819 F820 | I777-N781 PolarHBondContact O-N 3.37Å; I777-N781 VanDerWaalsContact O-N 3.11Å; I777-N781 PolarHBondContact O-ND2 2.82Å; I778-N781 PolarHBondContact O-N 2.93Å; I778-N781 VanDerWaalsContact O-N 3.16Å; N781-E785 WeakPolarHBondContact O-CB 3.29Å; N781-E785 PolarHBondContact O-N 3.18Å; N781-T819 HydrophobicContact CB-CG2 4.11Å; N781-T819 WeakPolarHBondContact O-CG2 3.45Å; N781-T819 PolarHBondContact O-OG1 2.9Å; N781-F820 HydrophobicContact CB-CD1 4.32Å; N781-F820 HydrophobicContact CB-CE1 3.73Å; N781-F820 HydrophobicContact CB-CZ 4.22Å |
| 782 | V | 94.6 | Very high | 91.7 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.006 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63 | -47.3 | 171.9 | 172.8 | 0 | 0 | 0 | 0 | 110.9 | I778 N779 Y780 Q784 E785 C786 I821 G875 | I778-V782 HydrophobicContact CG2-CG2 4.23Å; I778-V782 VanDerWaalsContact O-CG2 3.25Å; I778-V782 WeakPolarHBondContact O-CG2 3.36Å; I778-V782 PolarHBondContact O-N 3.17Å; N779-V782 PolarHBondContact O-N 2.88Å; Y780-V782 VanDerWaalsContact C-N 3.31Å; Y780-V782 PolarHBondContact O-N 3.3Å; V782-Q784 PolarHBondContact O-N 2.82Å; V782-E785 PolarHBondContact O-N 2.91Å; V782-C786 WeakPolarHBondContact O-CB 3.44Å; V782-C786 PolarHBondContact O-N 3.24Å; V782-C786 PolarHBondContact O-SG 3.34Å; V782-I821 HydrophobicContact CG2-CB 4.47Å; V782-I821 HydrophobicContact CG2-CG1 4.07Å; V782-I821 HydrophobicContact CG2-CG2 4.03Å; V782-G875 VanDerWaalsContact CG2-CA 3.49Å |
| 783 | E | 94.1 | Very high | 91.3 | Very high | 14 Ų | 14 | 27.7 Ų | 27.7 | 7% | 0.065 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -59.8 | -46.8 | 177.9 | -175.4 | -179.1 | 79.5 | 0 | 0 | 111.5 | N779 Y780 E785 C786 N787 I794 S799 | N779-E783 WeakPolarHBondContact O-CB 3.32Å; N779-E783 PolarHBondContact O-N 3.44Å; Y780-E783 PolarHBondContact O-N 2.98Å; E783-E785 VanDerWaalsContact C-N 3.34Å; E783-E785 PolarHBondContact O-N 2.85Å; E783-C786 WeakPolarHBondContact O-CB 3.4Å; E783-C786 PolarHBondContact O-N 3.04Å; E783-C786 VanDerWaalsContact O-N 3.13Å; E783-N787 PolarHBondContact O-N 3.47Å; E783-I794 HydrophobicContact CG-CB 4.33Å; E783-I794 HydrophobicContact CG-CD1 3.86Å; E783-I794 HydrophobicContact CG-CG2 4.43Å; E783-S799 WeakPolarHBondContact OE1-CB 3.41Å; E783-S799 PolarHBondContact OE1-OG 3.28Å |
| 784 | Q | 92.3 | Very high | 90.8 | Very high | 20 Ų | 20 | 29.7 Ų | 29.7 | 9% | 0.093 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -66.3 | -33.4 | 179.2 | -64.4 | -54.7 | -55.4 | 0 | 0 | 112.7 | Y780 V782 N787 I794 T819 | Y780-Q784 HydrophobicContact CD1-CG 4.26Å; Y780-Q784 HydrophobicContact CD2-CG 4.18Å; Y780-Q784 HydrophobicContact CE1-CG 3.88Å; Y780-Q784 HydrophobicContact CE2-CG 3.76Å; Y780-Q784 HydrophobicContact CG-CG 4.41Å; Y780-Q784 VanDerWaalsContact O-CG 3.3Å; Y780-Q784 WeakPolarHBondContact O-CG 3.49Å; Y780-Q784 PolarHBondContact O-N 3.46Å; V782-Q784 PolarHBondContact O-N 2.82Å; Q784-N787 WeakPolarHBondContact O-CB 3.37Å; Q784-N787 PolarHBondContact OE1-ND2 3.37Å; Q784-I794 PolarHBondContact NE2-O 3.07Å; Q784-T819 HydrophobicContact CB-CG2 4.1Å |
| 785 | E | 93.3 | Very high | 90.2 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -70.5 | -38.3 | 171.3 | -164.8 | 69.8 | -157.6 | 0 | 0 | 111.6 | N781 V782 E783 N787 N788 S817 V818 T819 I821 R826 L879 | N781-E785 WeakPolarHBondContact O-CB 3.29Å; N781-E785 PolarHBondContact O-N 3.18Å; V782-E785 PolarHBondContact O-N 2.91Å; E783-E785 VanDerWaalsContact C-N 3.34Å; E783-E785 PolarHBondContact O-N 2.85Å; E785-N787 VanDerWaalsContact C-N 3.26Å; E785-N787 PolarHBondContact O-N 3.18Å; E785-N788 WeakPolarHBondContact O-CB 3.17Å; E785-N788 PolarHBondContact O-N 3.45Å; E785-S817 WeakPolarHBondContact OE1-CA 3.34Å; E785-V818 PolarHBondContact OE1-N 2.9Å; E785-V818 WeakPolarHBondContact OE2-CA 3.18Å; E785-V818 WeakPolarHBondContact OE2-CB 3.48Å; E785-V818 PolarHBondContact OE2-N 3.38Å; E785-T819 PolarHBondContact OE2-N 3.43Å; E785-T819 PolarHBondContact OE2-OG1 3.25Å; E785-I821 HydrophobicContact CB-CG2 4.11Å; E785-I821 HydrophobicContact CG-CG2 4.47Å; E785-R826 IonicContact OE1-CZ 3.99Å; E785-R826 IonicContact OE1-NH1 2.96Å; E785-R826 PolarHBondContact OE1-NH1 3.44Å; E785-R826 IonicContact OE1-NH2 3.15Å; E785-L879 HydrophobicContact CB-CD1 4.44Å; E785-L879 HydrophobicContact CG-CD1 3.87Å; E785-L879 HydrophobicContact CG-CD2 4.08Å |
| 786 | C | 91.6 | Very high | 89.7 | Confident | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.007 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65.9 | -26.6 | 178.6 | -69 | 0 | 0 | 0 | 0 | 112.6 | V782 E783 N788 F789 F882 | V782-C786 WeakPolarHBondContact O-CB 3.44Å; V782-C786 PolarHBondContact O-N 3.24Å; V782-C786 PolarHBondContact O-SG 3.34Å; E783-C786 WeakPolarHBondContact O-CB 3.4Å; E783-C786 PolarHBondContact O-N 3.04Å; E783-C786 VanDerWaalsContact O-N 3.13Å; C786-N788 PolarHBondContact O-N 2.71Å; C786-F789 PolarHBondContact O-N 3.44Å; C786-F882 HydrophobicContact CB-CD2 4.01Å; C786-F882 HydrophobicContact CB-CE2 3.96Å; C786-F882 VanDerWaalsContact SG-CD2 3.53Å |
| 787 | N | 90.1 | Very high | 88.9 | Confident | 11 Ų | 11 | 38.5 Ų | 38.5 | 6% | 0.059 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -54.6 | -23 | 173.5 | -82.4 | -22.1 | 0 | 0 | 0 | 113.4 | E783 Q784 E785 F789 L790 K793 I794 | E783-N787 PolarHBondContact O-N 3.47Å; Q784-N787 WeakPolarHBondContact O-CB 3.37Å; Q784-N787 PolarHBondContact OE1-ND2 3.37Å; E785-N787 VanDerWaalsContact C-N 3.26Å; E785-N787 PolarHBondContact O-N 3.18Å; N787-F789 PolarHBondContact O-N 2.88Å; N787-L790 PolarHBondContact O-N 3.26Å; N787-K793 HydrophobicContact CB-CB 4.47Å; N787-K793 HydrophobicContact CB-CG 4.35Å; N787-I794 PolarHBondContact ND2-O 2.97Å; N787-I794 PolarHBondContact OD1-N 3.02Å |
| 788 | N | 86.2 | Confident | 88.2 | Confident | 78 Ų | 78 | 42.6 Ų | 42.6 | 42% | 0.417 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -67.4 | -13.4 | 173.5 | -73.4 | -32.2 | 0 | 0 | 0 | 114.2 | E785 C786 V818 | E785-N788 WeakPolarHBondContact O-CB 3.17Å; E785-N788 PolarHBondContact O-N 3.45Å; C786-N788 PolarHBondContact O-N 2.71Å; N788-V818 VanDerWaalsContact ND2-CG2 3.32Å; N788-V818 WeakPolarHBondContact ND2-CG2 3.48Å |
| 789 | F | 86 | Confident | 87.9 | Confident | 50 Ų | 50 | 43 Ų | 43 | 22% | 0.219 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -113.3 | -3.2 | -177.5 | -53.5 | -91.1 | 0 | 0 | 0 | 112.2 | C786 N787 L879 F882 M883 K886 | C786-F789 PolarHBondContact O-N 3.44Å; N787-F789 PolarHBondContact O-N 2.88Å; F789-L879 HydrophobicContact CD2-CD1 4.47Å; F789-L879 HydrophobicContact CE2-CD1 3.69Å; F789-L879 HydrophobicContact CZ-CD1 4.32Å; F789-F882 HydrophobicContact CB-CB 3.97Å; F789-F882 HydrophobicContact CB-CD1 3.9Å; F789-F882 HydrophobicContact CB-CG 4.21Å; F789-F882 HydrophobicContact CD1-CB 4.25Å; F789-F882 HydrophobicContact CD2-CB 4Å; F789-F882 HydrophobicContact CG-CB 3.82Å; F789-M883 HydrophobicContact CE1-CG 3.85Å; F789-M883 HydrophobicContact CZ-CG 3.62Å; F789-K886 HydrophobicContact CD1-CB 4.01Å; F789-K886 HydrophobicContact CD1-CD 3.67Å; F789-K886 HydrophobicContact CD1-CG 4.46Å; F789-K886 HydrophobicContact CE1-CB 4.33Å; F789-K886 HydrophobicContact CE1-CD 3.66Å |
| 790 | L | 83.7 | Confident | 87.6 | Confident | 56 Ų | 56 | 49 Ų | 49 | 29% | 0.293 | 23% | 0.234 | S | C | . | . | trans | -106 | 144.5 | -178.4 | -61.1 | 177 | 0 | 0 | 0 | 110.7 | N787 T792 F882 | N787-L790 PolarHBondContact O-N 3.26Å; L790-T792 WeakPolarHBondContact CB-O 3.39Å; L790-F882 HydrophobicContact CD2-CD1 4.47Å; L790-F882 HydrophobicContact CD2-CE1 3.58Å; L790-F882 HydrophobicContact CD2-CZ 4.07Å; L790-F882 HydrophobicContact CG-CE1 4.4Å | ||
| 791 | R | 81.1 | Confident | 87.4 | Confident | 101 Ų | 101 | 51 Ų | 51 | 38% | 0.381 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -77 | -51.9 | 172.6 | -175.8 | 175 | 166.7 | 128.2 | -9.7 | 111 | D79 E82 E86 N87 | D79-R791 IonicContact OD1-NH1 2.71Å; D79-R791 PolarHBondContact OD1-NH1 3.33Å; D79-R791 VanDerWaalsContact OD1-NH1 3.15Å; E82-R791 VanDerWaalsContact CG-NH2 3.34Å; E82-R791 IonicContact OE1-NH2 2.95Å; E82-R791 IonicContact OE2-CZ 3.52Å; E82-R791 IonicContact OE2-NH1 3.82Å; E82-R791 IonicContact OE2-NH2 2.59Å; E82-R791 PolarHBondContact OE2-NH2 3.14Å; E86-R791 IonicContact OE1-CZ 3.82Å; E86-R791 IonicContact OE1-NE 2.8Å; E86-R791 PolarHBondContact OE1-NE 3.01Å; E86-R791 VanDerWaalsContact OE1-NE 3.09Å; E86-R791 IonicContact OE1-NH2 2.95Å; E86-R791 PolarHBondContact OE1-NH2 3.31Å; E86-R791 WeakPolarHBondContact OE2-CG 3.47Å; E86-R791 IonicContact OE2-NE 2.78Å; E86-R791 PolarHBondContact OE2-NE 3.45Å; E86-R791 VanDerWaalsContact OE2-NE 3.12Å; N87-R791 PolarHBondContact ND2-O 3.49Å; N87-R791 VanDerWaalsContact ND2-O 3.15Å |
| 792 | T | 82.8 | Confident | 87.2 | Confident | 86 Ų | 86 | 52.3 Ų | 52.3 | 53% | 0.528 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -86.6 | 113.1 | 169.3 | -43.4 | 0 | 0 | 0 | 0 | 109 | L790 | L790-T792 WeakPolarHBondContact CB-O 3.39Š|
| 793 | K | 84.6 | Confident | 86.9 | Confident | 48 Ų | 48 | 53.8 Ų | 53.8 | 21% | 0.209 | 26% | 0.257 | C | S | . | . | trans | -88.8 | 137.5 | -176.7 | -63.8 | 175.5 | -174.2 | 159.9 | 0 | 109.9 | E83 N87 N787 Q795 | E83-K793 WeakPolarHBondContact OE1-CE 3.45Å; E83-K793 IonicContact OE1-NZ 2.88Å; E83-K793 PolarHBondContact OE1-NZ 3.04Å; N87-K793 PolarHBondContact OD1-N 3.45Å; N787-K793 HydrophobicContact CB-CB 4.47Å; N787-K793 HydrophobicContact CB-CG 4.35Å; K793-Q795 PolarHBondContact O-N 3.46Å | ||
| 794 | I | 84.9 | Confident | 86.3 | Confident | 47 Ų | 47 | 59 Ų | 59 | 24% | 0.241 | 29% | 0.29 | C | S | . | . | trans | -78.6 | 110.3 | 174 | -58.3 | 172.4 | 0 | 0 | 0 | 107.9 | E783 Q784 N787 Q798 | E783-I794 HydrophobicContact CG-CB 4.33Å; E783-I794 HydrophobicContact CG-CD1 3.86Å; E783-I794 HydrophobicContact CG-CG2 4.43Å; Q784-I794 PolarHBondContact NE2-O 3.07Å; N787-I794 PolarHBondContact ND2-O 2.97Å; N787-I794 PolarHBondContact OD1-N 3.02Å; I794-Q798 HydrophobicContact CG2-CB 4.06Å | ||
| 795 | Q | 82.1 | Confident | 85.8 | Confident | 63 Ų | 63 | 62.6 Ų | 62.6 | 29% | 0.294 | 31% | 0.307 | S | S | . | . | trans | -75.6 | 162.6 | 178 | -58.9 | -61.1 | -27.8 | 0 | 0 | 111.2 | K793 W797 Q798 S799 | K793-Q795 PolarHBondContact O-N 3.46Å; Q795-W797 VanDerWaalsContact C-N 3.25Å; Q795-W797 HydrophobicContact CB-CG 4.45Å; Q795-W797 PolarHBondContact O-N 3.25Å; Q795-Q798 HydrophobicContact CB-CG 4.4Å; Q795-Q798 VanDerWaalsContact N-OE1 3.11Å; Q795-Q798 WeakPolarHBondContact O-CB 3.49Å; Q795-Q798 PolarHBondContact O-N 3.29Å; Q795-S799 PolarHBondContact O-N 3.04Å | ||
| 796 | D | 81.7 | Confident | 85.6 | Confident | 52 Ų | 52 | 63 Ų | 63 | 28% | 0.278 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -38.7 | -178.3 | -73.3 | -22.3 | 0 | 0 | 0 | 113.4 | Y780 Q798 S799 Q802 K810 | Y780-D796 PolarHBondContact OH-OD1 3.29Å; D796-Q798 VanDerWaalsContact C-N 3.27Å; D796-Q798 PolarHBondContact O-N 2.74Å; D796-S799 PolarHBondContact O-N 3.3Å; D796-Q802 HydrophobicContact CB-CG 4.3Å; D796-Q802 VanDerWaalsContact O-CB 3.3Å; D796-Q802 WeakPolarHBondContact O-CB 3.13Å; D796-K810 WeakPolarHBondContact OD1-CE 3.41Å; D796-K810 IonicContact OD1-NZ 3.21Å; D796-K810 PolarHBondContact OD1-NZ 3.45Å; D796-K810 WeakPolarHBondContact OD2-CE 3.45Å; D796-K810 IonicContact OD2-NZ 3.41Å; D796-K810 PolarHBondContact OD2-NZ 2.66Å |
| 797 | W | 79.7 | Confident | 85.6 | Confident | 139 Ų | 139 | 65.8 Ų | 65.8 | 53% | 0.527 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -15.5 | -179.8 | 63.6 | -92 | 0 | 0 | 0 | 113.1 | E90 Q795 | E90-W797 WeakPolarHBondContact OE2-CH2 3.36Å; Q795-W797 VanDerWaalsContact C-N 3.25Å; Q795-W797 HydrophobicContact CB-CG 4.45Å; Q795-W797 PolarHBondContact O-N 3.25Å |
| 798 | Q | 82.5 | Confident | 85.8 | Confident | 87 Ų | 87 | 65.4 Ų | 65.4 | 41% | 0.407 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -23.3 | 175.3 | -65.3 | 174.3 | -30.2 | 0 | 0 | 112.2 | I794 Q795 D796 M800 | I794-Q798 HydrophobicContact CG2-CB 4.06Å; Q795-Q798 HydrophobicContact CB-CG 4.4Å; Q795-Q798 VanDerWaalsContact N-OE1 3.11Å; Q795-Q798 WeakPolarHBondContact O-CB 3.49Å; Q795-Q798 PolarHBondContact O-N 3.29Å; D796-Q798 VanDerWaalsContact C-N 3.27Å; D796-Q798 PolarHBondContact O-N 2.74Å; Q798-M800 PolarHBondContact O-N 2.93Å |
| 799 | S | 87.9 | Confident | 86.1 | Confident | 7 Ų | 7 | 63.4 Ų | 63.4 | 5% | 0.049 | 32% | 0.316 | C | S | . | . | trans | -66.4 | 124 | -178.3 | -175.6 | 0 | 0 | 0 | 0 | 111.5 | E783 Q795 D796 Y801 Q802 | E783-S799 WeakPolarHBondContact OE1-CB 3.41Å; E783-S799 PolarHBondContact OE1-OG 3.28Å; Q795-S799 PolarHBondContact O-N 3.04Å; D796-S799 PolarHBondContact O-N 3.3Å; S799-Y801 PolarHBondContact O-N 3.4Å; S799-Y801 PolarHBondContact OG-N 2.9Å; S799-Q802 PolarHBondContact O-N 3.06Å | ||
| 800 | M | 90.1 | Very high | 86.2 | Confident | 152 Ų | 152 | 66.8 Ų | 66.8 | 75% | 0.749 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -17.8 | 175.8 | 67.2 | 179 | -65.5 | 0 | 0 | 113.3 | Q798 | Q798-M800 PolarHBondContact O-N 2.93Š|
| 801 | Y | 91.6 | Very high | 86.4 | Confident | 44 Ų | 44 | 66.9 Ų | 66.9 | 17% | 0.173 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -19.8 | -179.3 | -53 | -67.1 | 0 | 0 | 0 | 112.6 | R776 N779 S799 | R776-Y801 WeakPolarHBondContact CD-O 3.3Å; R776-Y801 HydrophobicContact CG-CD1 4.36Å; R776-Y801 WeakPolarHBondContact CG-O 3.14Å; N779-Y801 HydrophobicContact CB-CD1 3.83Å; N779-Y801 HydrophobicContact CB-CD2 4.13Å; N779-Y801 HydrophobicContact CB-CE1 3.49Å; N779-Y801 VanDerWaalsContact CB-CE1 3.49Å; N779-Y801 HydrophobicContact CB-CE2 3.8Å; N779-Y801 HydrophobicContact CB-CG 4.14Å; N779-Y801 VanDerWaalsContact CB-CZ 3.47Å; S799-Y801 PolarHBondContact O-N 3.4Å; S799-Y801 PolarHBondContact OG-N 2.9Å |
| 802 | Q | 90.8 | Very high | 86.6 | Confident | 40 Ų | 40 | 68 Ų | 68 | 19% | 0.187 | 35% | 0.347 | C | S | . | . | trans | -84.8 | 135.9 | 178.9 | -172.6 | 62.2 | -68.1 | 0 | 0 | 110.4 | Y780 D796 S799 I808 | Y780-Q802 HydrophobicContact CD2-CB 4.28Å; Y780-Q802 HydrophobicContact CE2-CB 3.97Å; Y780-Q802 HydrophobicContact CE2-CG 4.44Å; Y780-Q802 PolarHBondContact OH-NE2 2.91Å; D796-Q802 HydrophobicContact CB-CG 4.3Å; D796-Q802 VanDerWaalsContact O-CB 3.3Å; D796-Q802 WeakPolarHBondContact O-CB 3.13Å; S799-Q802 PolarHBondContact O-N 3.06Å; Q802-I808 PolarHBondContact NE2-O 3.32Å | ||
| 803 | S | 87.7 | Confident | 86.7 | Confident | 32 Ų | 32 | 67.7 Ų | 67.7 | 22% | 0.224 | 35% | 0.347 | C | S | . | . | trans | -121.6 | 138.7 | 177 | 174.2 | 0 | 0 | 0 | 0 | 110 | H805 I806 P807 | S803-H805 VanDerWaalsContact C-N 3.29Å; S803-H805 PolarHBondContact O-N 3.47Å; S803-H805 PolarHBondContact OG-N 3.13Å; S803-I806 CarbonylContact O-C 3.12Å; S803-I806 PolarHBondContact OG-N 3.47Å; S803-P807 VanDerWaalsContact O-CA 3.23Å; S803-P807 WeakPolarHBondContact O-CA 3.38Å | ||
| 804 | T | 81.6 | Confident | 86.7 | Confident | 124 Ų | 124 | 69.3 Ų | 69.3 | 76% | 0.761 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -64.6 | -34.7 | 172.6 | 53.6 | 0 | 0 | 0 | 0 | 111.9 | ||
| 805 | H | 82.1 | Confident | 86.7 | Confident | 96 Ų | 96 | 70.6 Ų | 70.6 | 44% | 0.444 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -85.4 | -37.7 | -177.4 | -59 | -48.2 | 0 | 0 | 0 | 113.1 | S803 P807 | S803-H805 VanDerWaalsContact C-N 3.29Å; S803-H805 PolarHBondContact O-N 3.47Å; S803-H805 PolarHBondContact OG-N 3.13Å; H805-P807 WeakPolarHBondContact O-CD 3.17Å |
| 806 | I | 89.8 | Confident | 86.8 | Confident | 10 Ų | 10 | 75.6 Ų | 75.6 | 5% | 0.051 | 39% | 0.391 | C | S | . | . | S | Bend | trans | -124 | 67.7 | -176.8 | -49.3 | 170.2 | 0 | 0 | 0 | 108.3 | D708 R711 K712 V715 R776 S803 | D708-I806 HydrophobicContact CB-CD1 4.22Å; D708-I806 HydrophobicContact CB-CG1 4.43Å; R711-I806 HydrophobicContact CB-CD1 3.78Å; R711-I806 HydrophobicContact CB-CG2 4.17Å; R711-I806 HydrophobicContact CG-CD1 4.46Å; K712-I806 HydrophobicContact CB-CG2 4.03Å; V715-I806 HydrophobicContact CB-CG2 4.49Å; V715-I806 HydrophobicContact CG2-CG2 4.04Å; R776-I806 PolarHBondContact NH1-O 3.11Å; R776-I806 VanDerWaalsContact NH1-O 3.09Å; R776-I806 PolarHBondContact NH2-O 3.4Å; S803-I806 CarbonylContact O-C 3.12Å; S803-I806 PolarHBondContact OG-N 3.47Å |
| 807 | P | 91.2 | Very high | 87.1 | Confident | 58 Ų | 58 | 73.2 Ų | 73.2 | 38% | 0.377 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -70.4 | 139.1 | -172.9 | 28.1 | -35.4 | 0 | 0 | 0 | 111.8 | S803 H805 | S803-P807 VanDerWaalsContact O-CA 3.23Å; S803-P807 WeakPolarHBondContact O-CA 3.38Å; H805-P807 WeakPolarHBondContact O-CD 3.17Å |
| 808 | I | 94.5 | Very high | 87.4 | Confident | 3 Ų | 3 | 69.2 Ų | 69.2 | 2% | 0.015 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -78.8 | 123.3 | 170.1 | -60.1 | 165.7 | 0 | 0 | 0 | 107.7 | V715 R776 I777 Y780 Q802 | V715-I808 HydrophobicContact CG1-CB 4.39Å; V715-I808 HydrophobicContact CG1-CG1 3.94Å; R776-I808 HydrophobicContact CG-CD1 4.1Å; I777-I808 HydrophobicContact CG1-CG1 4.47Å; Y780-I808 VanDerWaalsContact CB-CD1 3.44Å; Y780-I808 HydrophobicContact CD1-CB 3.84Å; Y780-I808 HydrophobicContact CD1-CD1 3.93Å; Y780-I808 HydrophobicContact CD1-CG2 3.57Å; Y780-I808 HydrophobicContact CD2-CD1 4.41Å; Y780-I808 HydrophobicContact CE1-CB 4.08Å; Y780-I808 HydrophobicContact CE1-CG2 3.97Å; Y780-I808 HydrophobicContact CG-CB 4.4Å; Y780-I808 HydrophobicContact CG-CD1 3.67Å; Y780-I808 HydrophobicContact CG-CG2 4.42Å; Q802-I808 PolarHBondContact NE2-O 3.32Å |
| 809 | P | 92.1 | Very high | 88 | Confident | 37 Ų | 37 | 65.4 Ų | 65.4 | 24% | 0.24 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 137.6 | -175.3 | 27.4 | -34.5 | 0 | 0 | 0 | 111.4 | A719 F811 | A719-P809 HydrophobicContact CB-CG 3.62Å; P809-F811 HydrophobicContact CB-CE2 4.38Å; P809-F811 HydrophobicContact CB-CZ 4.09Å; P809-F811 HydrophobicContact CG-CE2 4.04Å; P809-F811 HydrophobicContact CG-CZ 3.82Å |
| 810 | K | 88.1 | Confident | 88.3 | Confident | 120 Ų | 120 | 65.2 Ų | 65.2 | 52% | 0.522 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -89.2 | 139.5 | 166.3 | -69.3 | -173.6 | 173.8 | -178.8 | 0 | 109.9 | Y780 D796 | Y780-K810 WeakPolarHBondContact OH-CE 3.14Å; D796-K810 WeakPolarHBondContact OD1-CE 3.41Å; D796-K810 IonicContact OD1-NZ 3.21Å; D796-K810 PolarHBondContact OD1-NZ 3.45Å; D796-K810 WeakPolarHBondContact OD2-CE 3.45Å; D796-K810 IonicContact OD2-NZ 3.41Å; D796-K810 PolarHBondContact OD2-NZ 2.66Å |
| 811 | F | 88.6 | Confident | 88.5 | Confident | 59 Ų | 59 | 58 Ų | 58 | 26% | 0.259 | 32% | 0.315 | S | S | . | . | trans | -114.3 | 149 | 175 | -58.1 | -77.9 | 0 | 0 | 0 | 109.3 | A719 F720 H723 P809 | A719-F811 HydrophobicContact CB-CE2 4.16Å; A719-F811 HydrophobicContact CB-CZ 4.44Å; F720-F811 HydrophobicContact CB-CZ 4.2Å; F720-F811 HydrophobicContact CD2-CE1 4.02Å; F720-F811 HydrophobicContact CD2-CZ 4.39Å; H723-F811 HydrophobicContact CB-CD2 3.65Å; H723-F811 HydrophobicContact CB-CE2 3.7Å; H723-F811 HydrophobicContact CB-CG 4.11Å; H723-F811 HydrophobicContact CB-CZ 4.22Å; H723-F811 AromaticContact CD2-CG 3.92Å; H723-F811 WeakPolarHBondContact CE1-CB 3.45Å; H723-F811 AromaticContact CE1-CG 3.87Å; H723-F811 AromaticContact CG-CD2 3.6Å; H723-F811 AromaticContact CG-CG 3.59Å; H723-F811 WeakPolarHBondContact ND1-CB 3.38Å; H723-F811 AromaticContact ND1-CD2 3.62Å; H723-F811 AromaticContact ND1-CG 3.55Å; P809-F811 HydrophobicContact CB-CE2 4.38Å; P809-F811 HydrophobicContact CB-CZ 4.09Å; P809-F811 HydrophobicContact CG-CE2 4.04Å; P809-F811 HydrophobicContact CG-CZ 3.82Å | ||
| 812 | T | 85 | Confident | 88.6 | Confident | 123 Ų | 123 | 55.9 Ų | 55.9 | 76% | 0.755 | 31% | 0.307 | S | S | * | . | trans | -61.4 | 133 | 175.4 | -21.8 | 0 | 0 | 0 | 0 | 109.7 | V814 | T812-V814 PolarHBondContact O-N 3.09Š| ||
| 813 | P | 84.1 | Confident | 88.8 | Confident | 80 Ų | 80 | 54.1 Ų | 54.1 | 52% | 0.519 | 30% | 0.298 | S | S | . | . | trans | -56.1 | 133.4 | 175.7 | -27.8 | 36.2 | 0 | 0 | 0 | 111.6 | ||||
| 814 | V | 85.6 | Confident | 89.2 | Confident | 83 Ų | 83 | 52.6 Ų | 52.6 | 50% | 0.503 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -96.8 | -24.8 | 179.2 | -176.7 | 0 | 0 | 0 | 0 | 111 | I727 T812 | I727-V814 HydrophobicContact CD1-CG2 4.46Å; I727-V814 HydrophobicContact CG2-CG1 4.39Å; T812-V814 PolarHBondContact O-N 3.09Å |
| 815 | D | 83.4 | Confident | 89.8 | Confident | 74 Ų | 74 | 46.9 Ų | 46.9 | 40% | 0.396 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -145.6 | -161.1 | 178.7 | 58.8 | 29.3 | 0 | 0 | 0 | 109.9 | S817 R823 | D815-S817 PolarHBondContact O-N 3.11Å; D815-S817 VanDerWaalsContact O-N 3.1Å; D815-S817 WeakPolarHBondContact OD1-CA 3.33Å; D815-S817 WeakPolarHBondContact OD1-CB 3.33Å; D815-S817 PolarHBondContact OD1-N 3.04Å; D815-S817 PolarHBondContact OD1-OG 2.93Å; D815-R823 VanDerWaalsContact OD2-CD 3.27Å; D815-R823 WeakPolarHBondContact OD2-CD 3.32Å; D815-R823 VanDerWaalsContact OD2-CG 3.28Å; D815-R823 WeakPolarHBondContact OD2-CG 3.47Å |
| 816 | E | 83.8 | Confident | 90.3 | Very high | 168 Ų | 168 | 46 Ų | 46 | 79% | 0.785 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -64.1 | -7.9 | 177 | -61.4 | -179.3 | 176.9 | 0 | 0 | 114 | R826 | E816-R826 PolarHBondContact O-NH2 3.03Š|
| 817 | S | 88.6 | Confident | 90.5 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.007 | 25% | 0.246 | C | C | . | . | trans | -88.7 | 139.3 | 176.2 | -34 | 0 | 0 | 0 | 0 | 111 | E785 D815 T819 R823 R826 | E785-S817 WeakPolarHBondContact OE1-CA 3.34Å; D815-S817 PolarHBondContact O-N 3.11Å; D815-S817 VanDerWaalsContact O-N 3.1Å; D815-S817 WeakPolarHBondContact OD1-CA 3.33Å; D815-S817 WeakPolarHBondContact OD1-CB 3.33Å; D815-S817 PolarHBondContact OD1-N 3.04Å; D815-S817 PolarHBondContact OD1-OG 2.93Å; S817-T819 WeakPolarHBondContact CB-O 3.27Å; S817-R823 WeakPolarHBondContact OG-CG 3.48Å; S817-R823 PolarHBondContact OG-N 3.46Å; S817-R826 PolarHBondContact OG-NH1 2.92Å | ||
| 818 | V | 87.3 | Confident | 90.6 | Very high | 56 Ų | 56 | 43.7 Ų | 43.7 | 34% | 0.339 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -76 | -33.3 | 174.3 | 177.5 | 0 | 0 | 0 | 0 | 110 | E785 N788 | E785-V818 PolarHBondContact OE1-N 2.9Å; E785-V818 WeakPolarHBondContact OE2-CA 3.18Å; E785-V818 WeakPolarHBondContact OE2-CB 3.48Å; E785-V818 PolarHBondContact OE2-N 3.38Å; N788-V818 VanDerWaalsContact ND2-CG2 3.32Å; N788-V818 WeakPolarHBondContact ND2-CG2 3.48Å |
| 819 | T | 93.8 | Very high | 90.6 | Very high | 7 Ų | 7 | 44.7 Ų | 44.7 | 4% | 0.043 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -135.8 | 174.1 | -170.6 | 69.3 | 0 | 0 | 0 | 0 | 112.8 | N781 Q784 E785 S817 I821 R823 | N781-T819 HydrophobicContact CB-CG2 4.11Å; N781-T819 WeakPolarHBondContact O-CG2 3.45Å; N781-T819 PolarHBondContact O-OG1 2.9Å; Q784-T819 HydrophobicContact CB-CG2 4.1Å; E785-T819 PolarHBondContact OE2-N 3.43Å; E785-T819 PolarHBondContact OE2-OG1 3.25Å; S817-T819 WeakPolarHBondContact CB-O 3.27Å; T819-I821 VanDerWaalsContact C-N 3.32Å; T819-I821 PolarHBondContact O-N 2.84Å; T819-I821 WeakPolarHBondContact OG1-CG2 3.31Å; T819-R823 PolarHBondContact O-N 3.15Å; T819-R823 PolarHBondContact O-NH1 3.49Å |
| 820 | F | 94.3 | Very high | 90.6 | Very high | 3 Ų | 3 | 47.5 Ų | 47.5 | 1% | 0.013 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67.1 | -29.8 | 178.6 | 72.7 | -98.6 | 0 | 0 | 0 | 113.3 | L722 L726 I778 N781 G822 R823 L824 L868 | L722-F820 HydrophobicContact CB-CD1 3.77Å; L722-F820 HydrophobicContact CB-CD2 4.31Å; L722-F820 HydrophobicContact CB-CE1 3.81Å; L722-F820 HydrophobicContact CB-CE2 4.36Å; L722-F820 HydrophobicContact CB-CG 4.04Å; L722-F820 HydrophobicContact CB-CZ 4.12Å; L722-F820 HydrophobicContact CD1-CE1 3.88Å; L722-F820 HydrophobicContact CD1-CZ 3.8Å; L722-F820 HydrophobicContact CD2-CD2 4.47Å; L722-F820 HydrophobicContact CD2-CE2 4.03Å; L722-F820 HydrophobicContact CD2-CZ 4.12Å; L722-F820 HydrophobicContact CG-CE1 4.33Å; L722-F820 HydrophobicContact CG-CZ 4.25Å; L726-F820 HydrophobicContact CB-CB 4.27Å; L726-F820 HydrophobicContact CD1-CB 4.28Å; L726-F820 HydrophobicContact CD1-CD2 3.49Å; L726-F820 VanDerWaalsContact CD1-CD2 3.49Å; L726-F820 HydrophobicContact CD1-CE2 4.26Å; L726-F820 HydrophobicContact CD1-CG 4.23Å; I778-F820 HydrophobicContact CG1-CZ 4.35Å; N781-F820 HydrophobicContact CB-CD1 4.32Å; N781-F820 HydrophobicContact CB-CE1 3.73Å; N781-F820 HydrophobicContact CB-CZ 4.22Å; F820-G822 VanDerWaalsContact C-N 3.34Å; F820-R823 WeakPolarHBondContact O-CB 3.25Å; F820-R823 PolarHBondContact O-N 3.25Å; F820-L824 PolarHBondContact O-N 3.36Å; F820-L868 HydrophobicContact CD2-CD2 4.36Å; F820-L868 HydrophobicContact CE2-CD2 3.59Å; F820-L868 HydrophobicContact CZ-CD2 4.43Å |
| 821 | I | 95.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -72.2 | -34.8 | -177.8 | -159.6 | 73 | 0 | 0 | 0 | 110.5 | V782 E785 T819 L824 C825 L868 L876 | V782-I821 HydrophobicContact CG2-CB 4.47Å; V782-I821 HydrophobicContact CG2-CG1 4.07Å; V782-I821 HydrophobicContact CG2-CG2 4.03Å; E785-I821 HydrophobicContact CB-CG2 4.11Å; E785-I821 HydrophobicContact CG-CG2 4.47Å; T819-I821 VanDerWaalsContact C-N 3.32Å; T819-I821 PolarHBondContact O-N 2.84Å; T819-I821 WeakPolarHBondContact OG1-CG2 3.31Å; I821-L824 HydrophobicContact CD1-CD2 4.2Å; I821-L824 PolarHBondContact O-N 3.29Å; I821-C825 WeakPolarHBondContact O-CB 3.39Å; I821-C825 PolarHBondContact O-N 3.3Å; I821-L868 HydrophobicContact CD1-CD2 4.3Å; I821-L876 HydrophobicContact CD1-CD2 3.89Å; I821-L876 HydrophobicContact CD1-CG 3.99Å; I821-L876 HydrophobicContact CG1-CD2 3.95Å; I821-L876 HydrophobicContact CG1-CG 4.38Å |
| 822 | G | 94.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.5 | -42.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | F820 C825 R826 | F820-G822 VanDerWaalsContact C-N 3.34Å; G822-C825 PolarHBondContact O-N 3.16Å; G822-R826 WeakPolarHBondContact O-CB 3.31Å; G822-R826 VanDerWaalsContact O-CG 3.31Å; G822-R826 WeakPolarHBondContact O-CG 3.31Å; G822-R826 PolarHBondContact O-N 3.28Å |
| 823 | R | 94.2 | Very high | 91.2 | Very high | 3 Ų | 3 | 36.3 Ų | 36.3 | 1% | 0.011 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.7 | -45.4 | 175.7 | -66.1 | -165.3 | -66.8 | -87.2 | 8.2 | 112.3 | H723 L726 F728 D815 S817 T819 F820 R826 E827 | H723-R823 PolarHBondContact ND1-NH2 3.01Å; H723-R823 VanDerWaalsContact ND1-NH2 3.15Å; H723-R823 PolarHBondContact O-NH2 3.38Å; L726-R823 PolarHBondContact O-NE 3.44Å; F728-R823 HydrophobicContact CD2-CB 4.41Å; F728-R823 HydrophobicContact CE2-CB 4.44Å; D815-R823 VanDerWaalsContact OD2-CD 3.27Å; D815-R823 WeakPolarHBondContact OD2-CD 3.32Å; D815-R823 VanDerWaalsContact OD2-CG 3.28Å; D815-R823 WeakPolarHBondContact OD2-CG 3.47Å; S817-R823 WeakPolarHBondContact OG-CG 3.48Å; S817-R823 PolarHBondContact OG-N 3.46Å; T819-R823 PolarHBondContact O-N 3.15Å; T819-R823 PolarHBondContact O-NH1 3.49Å; F820-R823 WeakPolarHBondContact O-CB 3.25Å; F820-R823 PolarHBondContact O-N 3.25Å; R823-R826 PolarHBondContact O-N 2.9Å; R823-E827 WeakPolarHBondContact O-CB 3.39Å; R823-E827 PolarHBondContact O-N 3.2Å |
| 824 | L | 95.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -58.9 | -49.2 | 175.8 | 178.7 | 59.1 | 0 | 0 | 0 | 111 | L726 F728 L737 L741 F820 I821 E827 I828 L868 L876 | L726-L824 HydrophobicContact CD1-CD2 4.45Å; L726-L824 HydrophobicContact CD2-CD1 4.44Å; F728-L824 HydrophobicContact CZ-CD1 4.41Å; L737-L824 HydrophobicContact CD1-CD1 3.54Å; L741-L824 HydrophobicContact CD2-CD1 4.46Å; F820-L824 PolarHBondContact O-N 3.36Å; I821-L824 HydrophobicContact CD1-CD2 4.2Å; I821-L824 PolarHBondContact O-N 3.29Å; L824-E827 PolarHBondContact O-N 2.88Å; L824-I828 HydrophobicContact CD1-CD1 3.99Å; L824-I828 HydrophobicContact CD1-CG1 4.32Å; L824-I828 HydrophobicContact CG-CD1 3.97Å; L824-I828 VanDerWaalsContact O-CG1 3.25Å; L824-I828 WeakPolarHBondContact O-CG1 3.39Å; L824-I828 PolarHBondContact O-N 2.73Å; L824-L868 HydrophobicContact CD2-CD1 4.09Å; L824-L868 HydrophobicContact CD2-CD2 4.44Å; L824-L876 HydrophobicContact CD2-CD1 4.04Å; L824-L876 HydrophobicContact CD2-CD2 4.32Å; L824-L876 HydrophobicContact CG-CD1 4.44Å; L824-L876 HydrophobicContact CG-CD2 4.28Å |
| 825 | C | 95.3 | Very high | 91.5 | Very high | 4 Ų | 4 | 33.2 Ų | 33.2 | 3% | 0.027 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.9 | -48.2 | 179.1 | -173.8 | 0 | 0 | 0 | 0 | 112.2 | I821 G822 E827 I828 L829 L876 L879 | I821-C825 WeakPolarHBondContact O-CB 3.39Å; I821-C825 PolarHBondContact O-N 3.3Å; G822-C825 PolarHBondContact O-N 3.16Å; C825-E827 VanDerWaalsContact C-N 3.32Å; C825-E827 PolarHBondContact O-N 3.34Å; C825-I828 PolarHBondContact O-N 3.15Å; C825-L829 WeakPolarHBondContact O-CG 3.33Å; C825-L829 PolarHBondContact O-N 2.67Å; C825-L876 HydrophobicContact CB-CD2 3.78Å; C825-L879 HydrophobicContact CB-CD2 3.61Å |
| 826 | R | 92.7 | Very high | 91.6 | Very high | 77 Ų | 77 | 33.7 Ų | 33.7 | 29% | 0.291 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -62.2 | -38.9 | 178.1 | -73.9 | 178.9 | 177 | 90.6 | -5.6 | 112.1 | E785 E816 S817 G822 R823 L829 R830 | E785-R826 IonicContact OE1-CZ 3.99Å; E785-R826 IonicContact OE1-NH1 2.96Å; E785-R826 PolarHBondContact OE1-NH1 3.44Å; E785-R826 IonicContact OE1-NH2 3.15Å; E816-R826 PolarHBondContact O-NH2 3.03Å; S817-R826 PolarHBondContact OG-NH1 2.92Å; G822-R826 WeakPolarHBondContact O-CB 3.31Å; G822-R826 VanDerWaalsContact O-CG 3.31Å; G822-R826 WeakPolarHBondContact O-CG 3.31Å; G822-R826 PolarHBondContact O-N 3.28Å; R823-R826 PolarHBondContact O-N 2.9Å; R826-L829 PolarHBondContact O-N 3.01Å; R826-R830 WeakPolarHBondContact O-CB 3.25Å; R826-R830 PolarHBondContact O-N 2.83Å |
| 827 | E | 93 | Very high | 91.9 | Very high | 12 Ų | 12 | 26 Ų | 26 | 6% | 0.056 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -67.2 | -41.3 | 176.5 | -177.4 | 63.4 | -174.1 | 0 | 0 | 111.9 | F728 L737 R823 L824 C825 L829 R830 I831 | F728-E827 HydrophobicContact CB-CG 4.25Å; F728-E827 HydrophobicContact CD1-CG 3.94Å; F728-E827 HydrophobicContact CD2-CB 3.62Å; F728-E827 HydrophobicContact CD2-CG 3.82Å; F728-E827 HydrophobicContact CE1-CG 4.25Å; F728-E827 HydrophobicContact CE2-CB 3.85Å; F728-E827 HydrophobicContact CE2-CG 4.13Å; F728-E827 HydrophobicContact CG-CB 4.05Å; F728-E827 HydrophobicContact CG-CG 3.71Å; F728-E827 HydrophobicContact CZ-CB 4.45Å; F728-E827 HydrophobicContact CZ-CG 4.33Å; L737-E827 HydrophobicContact CB-CG 4.36Å; L737-E827 HydrophobicContact CD1-CG 4.41Å; R823-E827 WeakPolarHBondContact O-CB 3.39Å; R823-E827 PolarHBondContact O-N 3.2Å; L824-E827 PolarHBondContact O-N 2.88Å; C825-E827 VanDerWaalsContact C-N 3.32Å; C825-E827 PolarHBondContact O-N 3.34Å; E827-L829 VanDerWaalsContact C-N 3.34Å; E827-L829 PolarHBondContact O-N 3.27Å; E827-R830 WeakPolarHBondContact O-CB 3.32Å; E827-R830 PolarHBondContact O-N 3.37Å; E827-R830 IonicContact OE1-CZ 3.68Å; E827-R830 IonicContact OE1-NE 3.36Å; E827-R830 PolarHBondContact OE1-NE 3.37Å; E827-R830 IonicContact OE1-NH2 3.79Å; E827-R830 PolarHBondContact OE1-NH2 3.23Å; E827-R830 IonicContact OE2-CZ 3.19Å; E827-R830 IonicContact OE2-NE 3.89Å; E827-R830 PolarHBondContact OE2-NE 3.4Å; E827-R830 IonicContact OE2-NH2 2.75Å; E827-I831 PolarHBondContact O-N 2.8Å |
| 828 | I | 94.5 | Very high | 91.9 | Very high | 8 Ų | 8 | 27.4 Ų | 27.4 | 4% | 0.041 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59.6 | -46 | 173.3 | -67 | 166.3 | 0 | 0 | 0 | 110.4 | L737 L824 C825 R830 I831 T832 L860 I864 L876 L957 | L737-I828 HydrophobicContact CD2-CG1 3.92Å; L824-I828 HydrophobicContact CD1-CD1 3.99Å; L824-I828 HydrophobicContact CD1-CG1 4.32Å; L824-I828 HydrophobicContact CG-CD1 3.97Å; L824-I828 VanDerWaalsContact O-CG1 3.25Å; L824-I828 WeakPolarHBondContact O-CG1 3.39Å; L824-I828 PolarHBondContact O-N 2.73Å; C825-I828 PolarHBondContact O-N 3.15Å; I828-R830 VanDerWaalsContact C-N 3.31Å; I828-R830 PolarHBondContact O-N 2.97Å; I828-I831 WeakPolarHBondContact O-CG1 2.79Å; I828-I831 PolarHBondContact O-N 3.46Å; I828-T832 WeakPolarHBondContact O-CB 3.13Å; I828-T832 PolarHBondContact O-N 3.35Å; I828-T832 VanDerWaalsContact O-N 3.09Å; I828-T832 PolarHBondContact O-OG1 3.42Å; I828-L860 HydrophobicContact CG1-CD2 4.34Å; I828-L860 HydrophobicContact CG2-CD2 4.49Å; I828-I864 HydrophobicContact CD1-CD1 3.74Å; I828-L876 HydrophobicContact CD1-CD1 4.1Å; I828-L957 HydrophobicContact CG2-CD1 3.93Å; I828-L957 HydrophobicContact CG2-CD2 3.82Å |
| 829 | L | 93.8 | Very high | 92.1 | Very high | 24 Ų | 24 | 25.1 Ų | 25.1 | 13% | 0.126 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64.2 | -35.1 | 177.3 | -70.6 | 170.3 | 0 | 0 | 0 | 112.4 | C825 R826 E827 D833 L880 M883 Q953 M954 L957 | C825-L829 WeakPolarHBondContact O-CG 3.33Å; C825-L829 PolarHBondContact O-N 2.67Å; R826-L829 PolarHBondContact O-N 3.01Å; E827-L829 VanDerWaalsContact C-N 3.34Å; E827-L829 PolarHBondContact O-N 3.27Å; L829-D833 PolarHBondContact O-N 3.46Å; L829-L880 HydrophobicContact CD1-CD2 4.48Å; L829-L880 HydrophobicContact CD2-CD2 4.29Å; L829-M883 HydrophobicContact CD1-CE 3.42Å; L829-M883 VanDerWaalsContact CD1-CE 3.42Å; L829-M883 HydrophobicContact CD1-SD 4.04Å; L829-Q953 HydrophobicContact CD2-CG 4.34Å; L829-Q953 PolarHBondContact O-NE2 3.15Å; L829-M954 HydrophobicContact CD2-CG 3.89Å; L829-L957 HydrophobicContact CD2-CD1 3.61Å; L829-L957 HydrophobicContact CG-CD1 4.43Å |
| 830 | R | 91.9 | Very high | 91.8 | Very high | 95 Ų | 95 | 26 Ų | 26 | 36% | 0.358 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -66.3 | -45.6 | 177.3 | -172.3 | -171.3 | 72.6 | 82.7 | -1.3 | 111.9 | R826 E827 I828 T832 D833 | R826-R830 WeakPolarHBondContact O-CB 3.25Å; R826-R830 PolarHBondContact O-N 2.83Å; E827-R830 WeakPolarHBondContact O-CB 3.32Å; E827-R830 PolarHBondContact O-N 3.37Å; E827-R830 IonicContact OE1-CZ 3.68Å; E827-R830 IonicContact OE1-NE 3.36Å; E827-R830 PolarHBondContact OE1-NE 3.37Å; E827-R830 IonicContact OE1-NH2 3.79Å; E827-R830 PolarHBondContact OE1-NH2 3.23Å; E827-R830 IonicContact OE2-CZ 3.19Å; E827-R830 IonicContact OE2-NE 3.89Å; E827-R830 PolarHBondContact OE2-NE 3.4Å; E827-R830 IonicContact OE2-NH2 2.75Å; I828-R830 VanDerWaalsContact C-N 3.31Å; I828-R830 PolarHBondContact O-N 2.97Å; R830-T832 VanDerWaalsContact C-N 3.31Å; R830-D833 WeakPolarHBondContact O-CB 3.31Å |
| 831 | I | 90.9 | Very high | 91.3 | Very high | 13 Ų | 13 | 27.2 Ų | 27.2 | 7% | 0.067 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -77.3 | -18.6 | -178.1 | 67.8 | 168.8 | 0 | 0 | 0 | 113 | L737 E827 I828 T837 V855 T856 | L737-I831 HydrophobicContact CD2-CD1 3.57Å; E827-I831 PolarHBondContact O-N 2.8Å; I828-I831 WeakPolarHBondContact O-CG1 2.79Å; I828-I831 PolarHBondContact O-N 3.46Å; I831-T837 WeakPolarHBondContact O-CG2 3.43Å; I831-V855 HydrophobicContact CB-CG1 4.12Å; I831-V855 VanDerWaalsContact O-CG1 3.24Å; I831-V855 WeakPolarHBondContact O-CG1 3.31Å; I831-T856 HydrophobicContact CD1-CG2 4.44Å |
| 832 | T | 92.4 | Very high | 90.7 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.006 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | 18.2 | 176.3 | 57.9 | 0 | 0 | 0 | 0 | 112.7 | I828 R830 P834 T837 W846 T856 Q953 L957 | I828-T832 WeakPolarHBondContact O-CB 3.13Å; I828-T832 PolarHBondContact O-N 3.35Å; I828-T832 VanDerWaalsContact O-N 3.09Å; I828-T832 PolarHBondContact O-OG1 3.42Å; R830-T832 VanDerWaalsContact C-N 3.31Å; T832-P834 WeakPolarHBondContact O-CD 3.48Å; T832-T837 VanDerWaalsContact C-OG1 3.23Å; T832-T837 PolarHBondContact O-OG1 3.45Å; T832-W846 HydrophobicContact CG2-CD2 3.83Å; T832-W846 HydrophobicContact CG2-CE3 4.49Å; T832-W846 HydrophobicContact CG2-CG 3.92Å; T832-W846 HydrophobicContact CG2-CZ2 4.28Å; T832-T856 HydrophobicContact CG2-CG2 3.82Å; T832-Q953 PolarHBondContact O-NE2 3.25Å; T832-Q953 PolarHBondContact OG1-NE2 2.98Å; T832-L957 HydrophobicContact CG2-CD2 4.38Å |
| 833 | D | 90.8 | Very high | 90.3 | Very high | 53 Ų | 53 | 37.1 Ų | 37.1 | 28% | 0.283 | 18% | 0.176 | S | C | . | . | trans | -58.7 | 120.9 | -177.8 | -175.3 | -15.1 | 0 | 0 | 0 | 110.3 | L829 R830 K835 M836 T837 | L829-D833 PolarHBondContact O-N 3.46Å; R830-D833 WeakPolarHBondContact O-CB 3.31Å; D833-K835 PolarHBondContact O-N 3.36Å; D833-K835 WeakPolarHBondContact OD1-CB 3.3Å; D833-K835 WeakPolarHBondContact OD1-CG 3.41Å; D833-K835 PolarHBondContact OD1-N 3.02Å; D833-M836 PolarHBondContact O-N 2.98Å; D833-T837 PolarHBondContact O-N 2.94Å; D833-T837 PolarHBondContact O-OG1 3.1Å | ||
| 834 | P | 89.2 | Confident | 89.9 | Confident | 5 Ų | 5 | 39.8 Ų | 39.8 | 3% | 0.032 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -9.1 | -179.9 | -20.6 | 31.9 | 0 | 0 | 0 | 114.9 | T832 M836 M949 Q953 D1072 P1075 | T832-P834 WeakPolarHBondContact O-CD 3.48Å; P834-M836 VanDerWaalsContact C-N 3.35Å; P834-M949 HydrophobicContact CB-CB 4.4Å; P834-M949 HydrophobicContact CB-CE 3.3Å; P834-M949 HydrophobicContact CG-CB 4.43Å; P834-M949 HydrophobicContact CG-CE 4.1Å; P834-Q953 HydrophobicContact CG-CB 3.85Å; P834-Q953 HydrophobicContact CG-CG 4.14Å; P834-D1072 HydrophobicContact CB-CB 4.27Å; P834-P1075 HydrophobicContact CB-CG 4.47Å; P834-P1075 HydrophobicContact CG-CB 4.38Å; P834-P1075 HydrophobicContact CG-CG 4.34Å |
| 835 | K | 87.4 | Confident | 89.7 | Confident | 94 Ų | 94 | 40.4 Ų | 40.4 | 41% | 0.409 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -24 | 172 | -65.3 | -179.8 | 178.4 | 178.4 | 0 | 112.8 | D833 E946 P1070 | D833-K835 PolarHBondContact O-N 3.36Å; D833-K835 WeakPolarHBondContact OD1-CB 3.3Å; D833-K835 WeakPolarHBondContact OD1-CG 3.41Å; D833-K835 PolarHBondContact OD1-N 3.02Å; K835-E946 VanDerWaalsContact NZ-CD 3.25Å; K835-E946 IonicContact NZ-OE1 2.81Å; K835-E946 IonicContact NZ-OE2 3.05Å; K835-E946 PolarHBondContact NZ-OE2 3.15Å; K835-P1070 HydrophobicContact CB-CB 4.47Å; K835-P1070 HydrophobicContact CG-CB 4.14Å |
| 836 | M | 86.6 | Confident | 89.5 | Confident | 84 Ų | 84 | 40.4 Ų | 40.4 | 41% | 0.414 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -119.1 | -23.5 | -172.8 | -63.9 | -61.4 | -58.3 | 0 | 0 | 112.3 | D833 P834 M849 | D833-M836 PolarHBondContact O-N 2.98Å; P834-M836 VanDerWaalsContact C-N 3.35Å; M836-M849 WeakPolarHBondContact O-CG 3.27Å; M836-M849 PolarHBondContact O-N 3.44Å |
| 837 | T | 89.4 | Confident | 89.4 | Confident | 6 Ų | 6 | 39.1 Ų | 39.1 | 4% | 0.037 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 156 | -174.7 | 66.3 | 0 | 0 | 0 | 0 | 111.7 | I831 T832 D833 Y847 V855 | I831-T837 WeakPolarHBondContact O-CG2 3.43Å; T832-T837 VanDerWaalsContact C-OG1 3.23Å; T832-T837 PolarHBondContact O-OG1 3.45Å; D833-T837 PolarHBondContact O-N 2.94Å; D833-T837 PolarHBondContact O-OG1 3.1Å; T837-Y847 CarbonylContact C-O 3.54Å; T837-Y847 WeakPolarHBondContact CA-O 3.43Å; T837-Y847 WeakPolarHBondContact CB-O 3.49Å; T837-V855 HydrophobicContact CG2-CG2 4.03Å |
| 838 | C | 89.1 | Confident | 89.1 | Confident | 30 Ų | 30 | 40 Ų | 40 | 20% | 0.203 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 138.9 | 170 | 59.5 | 0 | 0 | 0 | 0 | 111.2 | W846 Y847 M849 D1072 | C838-W846 WeakPolarHBondContact O-CA 3.42Å; C838-Y847 PolarHBondContact N-O 3.35Å; C838-Y847 PolarHBondContact O-N 3.39Å; C838-M849 HydrophobicContact CB-CG 4.14Å; C838-D1072 WeakPolarHBondContact CA-OD2 3.39Å |
| 839 | H | 90.6 | Very high | 88.6 | Confident | 8 Ų | 8 | 40.6 Ų | 40.6 | 4% | 0.037 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 132.2 | 176.6 | -178 | -102.2 | 0 | 0 | 0 | 111 | D841 W846 I956 D1072 P1074 | H839-D841 IonicContact CE1-OD1 3.73Å; H839-D841 PolarHBondContact CE1-OD1 3.27Å; H839-D841 IonicContact ND1-OD1 2.77Å; H839-D841 PolarHBondContact ND1-OD1 3.08Å; H839-W846 AromaticContact CD2-CD2 3.69Å; H839-W846 AromaticContact CD2-CE2 3.47Å; H839-W846 VanDerWaalsContact CD2-CE2 3.47Å; H839-W846 AromaticContact CD2-CZ2 3.68Å; H839-W846 AromaticContact CD2-NE1 3.84Å; H839-I956 HydrophobicContact CB-CD1 4.35Å; H839-D1072 PolarHBondContact N-OD2 2.99Å; H839-P1074 WeakPolarHBondContact O-CG 3.49Å |
| 840 | I | 88.4 | Confident | 88 | Confident | 26 Ų | 26 | 46.5 Ų | 46.5 | 13% | 0.133 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 103.7 | 175.2 | -56.2 | -177.8 | 0 | 0 | 0 | 109.2 | Q842 L843 N844 T845 Y847 L1060 | I840-Q842 VanDerWaalsContact C-N 3.3Å; I840-Q842 PolarHBondContact O-N 3.28Å; I840-L843 HydrophobicContact CB-CB 4.46Å; I840-L843 HydrophobicContact CG2-CB 4.26Å; I840-L843 HydrophobicContact CG2-CD1 4.11Å; I840-L843 HydrophobicContact CG2-CG 4.02Å; I840-L843 CarbonylContact O-C 3.6Å; I840-L843 PolarHBondContact O-N 2.9Å; I840-N844 PolarHBondContact O-N 3.44Å; I840-T845 PolarHBondContact N-O 3.03Å; I840-Y847 HydrophobicContact CB-CE2 4.34Å; I840-Y847 HydrophobicContact CD1-CD2 3.58Å; I840-Y847 HydrophobicContact CD1-CE2 3.63Å; I840-Y847 HydrophobicContact CG1-CD2 3.93Å; I840-Y847 HydrophobicContact CG1-CE2 4.11Å; I840-L1060 HydrophobicContact CD1-CD2 4.27Å |
| 841 | D | 83.1 | Confident | 87.7 | Confident | 28 Ų | 28 | 45.9 Ų | 45.9 | 15% | 0.15 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | -37.9 | -176.9 | -88.5 | 35.2 | 0 | 0 | 0 | 114.6 | H839 L843 N844 P1074 Y1135 | H839-D841 IonicContact CE1-OD1 3.73Å; H839-D841 PolarHBondContact CE1-OD1 3.27Å; H839-D841 IonicContact ND1-OD1 2.77Å; H839-D841 PolarHBondContact ND1-OD1 3.08Å; D841-L843 PolarHBondContact O-N 3.36Å; D841-N844 PolarHBondContact O-N 3.47Å; D841-P1074 WeakPolarHBondContact OD1-CB 3.45Å; D841-P1074 WeakPolarHBondContact OD1-CG 3.48Å; D841-Y1135 WeakPolarHBondContact OD2-CE1 3.28Å; D841-Y1135 PolarHBondContact OD2-OH 3.47Å |
| 842 | Q | 82.9 | Confident | 87.3 | Confident | 114 Ų | 114 | 52 Ų | 52 | 53% | 0.533 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -26.5 | -179.8 | -62 | 83.9 | -7.7 | 0 | 0 | 111.9 | I840 | I840-Q842 VanDerWaalsContact C-N 3.3Å; I840-Q842 PolarHBondContact O-N 3.28Å |
| 843 | L | 84.6 | Confident | 87.1 | Confident | 94 Ų | 94 | 58.4 Ų | 58.4 | 49% | 0.492 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | -15.3 | -178.1 | -59.4 | 178.6 | 0 | 0 | 0 | 112.7 | I840 D841 T845 Y847 | I840-L843 HydrophobicContact CB-CB 4.46Å; I840-L843 HydrophobicContact CG2-CB 4.26Å; I840-L843 HydrophobicContact CG2-CD1 4.11Å; I840-L843 HydrophobicContact CG2-CG 4.02Å; I840-L843 CarbonylContact O-C 3.6Å; I840-L843 PolarHBondContact O-N 2.9Å; D841-L843 PolarHBondContact O-N 3.36Å; L843-T845 VanDerWaalsContact C-N 3.27Å; L843-T845 PolarHBondContact O-N 3.02Å; L843-T845 PolarHBondContact O-OG1 3.43Å; L843-T845 VanDerWaalsContact O-OG1 3.11Å; L843-Y847 HydrophobicContact CD1-CE2 4.19Å; L843-Y847 WeakPolarHBondContact CD1-OH 3.44Å |
| 844 | N | 86.6 | Confident | 87.1 | Confident | 60 Ų | 60 | 60.9 Ų | 60.9 | 32% | 0.321 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | 44.6 | -170 | -67.8 | -57.1 | 0 | 0 | 0 | 112.5 | I840 D841 S858 Q960 | I840-N844 PolarHBondContact O-N 3.44Å; D841-N844 PolarHBondContact O-N 3.47Å; N844-S858 PolarHBondContact O-N 3.49Å; N844-Q960 PolarHBondContact OD1-NE2 3.49Å |
| 845 | T | 90.7 | Very high | 87 | Confident | 12 Ų | 12 | 63 Ų | 63 | 7% | 0.074 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 142.5 | -172.1 | -59.6 | 0 | 0 | 0 | 0 | 110.9 | I840 L843 Y847 E854 T856 S857 | I840-T845 PolarHBondContact N-O 3.03Å; L843-T845 VanDerWaalsContact C-N 3.27Å; L843-T845 PolarHBondContact O-N 3.02Å; L843-T845 PolarHBondContact O-OG1 3.43Å; L843-T845 VanDerWaalsContact O-OG1 3.11Å; T845-Y847 HydrophobicContact CG2-CD2 4.19Å; T845-Y847 HydrophobicContact CG2-CE1 4.24Å; T845-Y847 HydrophobicContact CG2-CE2 3.54Å; T845-E854 HydrophobicContact CG2-CB 4.49Å; T845-E854 HydrophobicContact CG2-CG 3.65Å; T845-T856 WeakPolarHBondContact CG2-O 3.42Å; T845-S857 WeakPolarHBondContact OG1-CB 3.25Å |
| 846 | W | 91.9 | Very high | 87.1 | Confident | 4 Ų | 4 | 59.2 Ų | 59.2 | 2% | 0.015 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 135.3 | 172.7 | -70.9 | -99.3 | 0 | 0 | 0 | 110.8 | T832 C838 H839 V855 T856 F861 I956 L957 Q960 | T832-W846 HydrophobicContact CG2-CD2 3.83Å; T832-W846 HydrophobicContact CG2-CE3 4.49Å; T832-W846 HydrophobicContact CG2-CG 3.92Å; T832-W846 HydrophobicContact CG2-CZ2 4.28Å; C838-W846 WeakPolarHBondContact O-CA 3.42Å; H839-W846 AromaticContact CD2-CD2 3.69Å; H839-W846 AromaticContact CD2-CE2 3.47Å; H839-W846 VanDerWaalsContact CD2-CE2 3.47Å; H839-W846 AromaticContact CD2-CZ2 3.68Å; H839-W846 AromaticContact CD2-NE1 3.84Å; W846-V855 HydrophobicContact CB-CB 4.38Å; W846-V855 PolarHBondContact O-N 2.93Å; W846-T856 HydrophobicContact CB-CG2 4.2Å; W846-T856 HydrophobicContact CD2-CG2 3.97Å; W846-T856 HydrophobicContact CE3-CG2 3.52Å; W846-T856 HydrophobicContact CG-CG2 4.29Å; W846-T856 HydrophobicContact CZ3-CG2 4.19Å; W846-T856 PolarHBondContact N-O 2.71Å; W846-F861 HydrophobicContact CH2-CE2 4.29Å; W846-F861 HydrophobicContact CZ3-CE2 4.36Å; W846-I956 HydrophobicContact CH2-CG2 4.05Å; W846-I956 HydrophobicContact CZ2-CG2 3.59Å; W846-L957 HydrophobicContact CH2-CD2 3.96Å; W846-L957 HydrophobicContact CZ2-CD2 3.8Å; W846-Q960 HydrophobicContact CH2-CG 3.99Å |
| 847 | Y | 89.5 | Confident | 87.3 | Confident | 51 Ų | 51 | 55.7 Ų | 55.7 | 20% | 0.2 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 144.6 | 177.3 | -64.7 | -90.5 | 0 | 0 | 0 | 110.7 | T837 C838 I840 L843 T845 Q853 E854 | T837-Y847 CarbonylContact C-O 3.54Å; T837-Y847 WeakPolarHBondContact CA-O 3.43Å; T837-Y847 WeakPolarHBondContact CB-O 3.49Å; C838-Y847 PolarHBondContact N-O 3.35Å; C838-Y847 PolarHBondContact O-N 3.39Å; I840-Y847 HydrophobicContact CB-CE2 4.34Å; I840-Y847 HydrophobicContact CD1-CD2 3.58Å; I840-Y847 HydrophobicContact CD1-CE2 3.63Å; I840-Y847 HydrophobicContact CG1-CD2 3.93Å; I840-Y847 HydrophobicContact CG1-CE2 4.11Å; L843-Y847 HydrophobicContact CD1-CE2 4.19Å; L843-Y847 WeakPolarHBondContact CD1-OH 3.44Å; T845-Y847 HydrophobicContact CG2-CD2 4.19Å; T845-Y847 HydrophobicContact CG2-CE1 4.24Å; T845-Y847 HydrophobicContact CG2-CE2 3.54Å; Y847-Q853 WeakPolarHBondContact CA-O 3.16Å; Y847-E854 HydrophobicContact CD1-CB 4.45Å; Y847-E854 HydrophobicContact CE1-CB 4.18Å |
| 848 | D | 87.6 | Confident | 87.2 | Confident | 31 Ų | 31 | 57.8 Ų | 57.8 | 17% | 0.166 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 128.9 | 173.1 | 176.1 | -85.6 | 0 | 0 | 0 | 109.7 | K850 T851 H852 Q853 V855 | D848-K850 PolarHBondContact O-N 3.19Å; D848-K850 WeakPolarHBondContact OD1-CA 3.14Å; D848-K850 PolarHBondContact OD1-N 3.44Å; D848-T851 VanDerWaalsContact CB-OG1 3.31Å; D848-T851 WeakPolarHBondContact CB-OG1 3.36Å; D848-T851 VanDerWaalsContact CG-OG1 3.26Å; D848-T851 WeakPolarHBondContact OD1-CB 3.46Å; D848-T851 PolarHBondContact OD1-N 2.91Å; D848-T851 PolarHBondContact OD1-OG1 2.96Å; D848-H852 WeakPolarHBondContact O-CA 3.47Å; D848-H852 PolarHBondContact O-N 3.46Å; D848-Q853 PolarHBondContact N-O 2.88Å; D848-V855 HydrophobicContact CB-CG2 3.84Å |
| 849 | M | 83 | Confident | 87.3 | Confident | 19 Ų | 19 | 65.2 Ų | 65.2 | 9% | 0.094 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -20.1 | -172.4 | -67 | -177.2 | 90.8 | 0 | 0 | 113.4 | M836 C838 C1064 | M836-M849 WeakPolarHBondContact O-CG 3.27Å; M836-M849 PolarHBondContact O-N 3.44Å; C838-M849 HydrophobicContact CB-CG 4.14Å; M849-C1064 HydrophobicContact CE-CB 3.77Å |
| 850 | K | 82.3 | Confident | 87.4 | Confident | 149 Ų | 149 | 64.9 Ų | 64.9 | 65% | 0.648 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | -41.8 | -177 | -65.9 | -178.6 | -178.2 | 175.5 | 0 | 112.6 | D848 | D848-K850 PolarHBondContact O-N 3.19Å; D848-K850 WeakPolarHBondContact OD1-CA 3.14Å; D848-K850 PolarHBondContact OD1-N 3.44Å |
| 851 | T | 83.8 | Confident | 87.7 | Confident | 81 Ų | 81 | 63.8 Ų | 63.8 | 50% | 0.497 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | -14.6 | -173.7 | 62.2 | 0 | 0 | 0 | 0 | 112.7 | D848 Q853 | D848-T851 VanDerWaalsContact CB-OG1 3.31Å; D848-T851 WeakPolarHBondContact CB-OG1 3.36Å; D848-T851 VanDerWaalsContact CG-OG1 3.26Å; D848-T851 WeakPolarHBondContact OD1-CB 3.46Å; D848-T851 PolarHBondContact OD1-N 2.91Å; D848-T851 PolarHBondContact OD1-OG1 2.96Å; T851-Q853 PolarHBondContact O-N 3.38Å; T851-Q853 VanDerWaalsContact O-N 3.12Å |
| 852 | H | 84.2 | Confident | 88.2 | Confident | 141 Ų | 141 | 64.4 Ų | 64.4 | 65% | 0.653 | 32% | 0.316 | S | S | * | . | trans | 57.4 | 17.5 | -174.7 | -55.6 | -65.8 | 0 | 0 | 0 | 114.2 | D848 | D848-H852 WeakPolarHBondContact O-CA 3.47Å; D848-H852 PolarHBondContact O-N 3.46Å | ||
| 853 | Q | 87.8 | Confident | 88.7 | Confident | 137 Ų | 137 | 61 Ų | 61 | 64% | 0.64 | 30% | 0.3 | S | S | * | . | trans | -79.8 | 145.3 | 175.6 | -67.2 | -172.4 | -14.5 | 0 | 0 | 110.5 | Y847 D848 T851 V855 | Y847-Q853 WeakPolarHBondContact CA-O 3.16Å; D848-Q853 PolarHBondContact N-O 2.88Å; T851-Q853 PolarHBondContact O-N 3.38Å; T851-Q853 VanDerWaalsContact O-N 3.12Å; Q853-V855 PolarHBondContact O-N 2.86Å | ||
| 854 | E | 89.6 | Confident | 89.2 | Confident | 105 Ų | 105 | 56.6 Ų | 56.6 | 49% | 0.491 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 124.7 | 170.6 | 176.9 | 176.9 | 167 | 0 | 0 | 109.3 | T845 Y847 S857 | T845-E854 HydrophobicContact CG2-CB 4.49Å; T845-E854 HydrophobicContact CG2-CG 3.65Å; Y847-E854 HydrophobicContact CD1-CB 4.45Å; Y847-E854 HydrophobicContact CE1-CB 4.18Å; E854-S857 WeakPolarHBondContact OE1-CB 3.35Å; E854-S857 PolarHBondContact OE1-OG 3.13Å |
| 855 | V | 88 | Confident | 89.5 | Confident | 50 Ų | 50 | 54.9 Ų | 54.9 | 30% | 0.303 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | -52 | 176.6 | 177 | 0 | 0 | 0 | 0 | 109.9 | I831 T837 W846 D848 Q853 | I831-V855 HydrophobicContact CB-CG1 4.12Å; I831-V855 VanDerWaalsContact O-CG1 3.24Å; I831-V855 WeakPolarHBondContact O-CG1 3.31Å; T837-V855 HydrophobicContact CG2-CG2 4.03Å; W846-V855 HydrophobicContact CB-CB 4.38Å; W846-V855 PolarHBondContact O-N 2.93Å; D848-V855 HydrophobicContact CB-CG2 3.84Å; Q853-V855 PolarHBondContact O-N 2.86Å |
| 856 | T | 90.4 | Very high | 89.5 | Confident | 14 Ų | 14 | 59.4 Ų | 59.4 | 9% | 0.086 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.9 | 163 | 178.1 | -157.7 | 0 | 0 | 0 | 0 | 111.4 | I831 T832 T845 W846 L860 | I831-T856 HydrophobicContact CD1-CG2 4.44Å; T832-T856 HydrophobicContact CG2-CG2 3.82Å; T845-T856 WeakPolarHBondContact CG2-O 3.42Å; W846-T856 HydrophobicContact CB-CG2 4.2Å; W846-T856 HydrophobicContact CD2-CG2 3.97Å; W846-T856 HydrophobicContact CE3-CG2 3.52Å; W846-T856 HydrophobicContact CG-CG2 4.29Å; W846-T856 HydrophobicContact CZ3-CG2 4.19Å; W846-T856 PolarHBondContact N-O 2.71Å; T856-L860 HydrophobicContact CG2-CD2 4.31Å; T856-L860 WeakPolarHBondContact OG1-CB 3.37Å |
| 857 | S | 90 | Very high | 89.5 | Confident | 10 Ų | 10 | 59.3 Ų | 59.3 | 7% | 0.07 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | -178.7 | -177.6 | 50.3 | 0 | 0 | 0 | 0 | 110.6 | T845 E854 R859 L860 | T845-S857 WeakPolarHBondContact OG1-CB 3.25Å; E854-S857 WeakPolarHBondContact OE1-CB 3.35Å; E854-S857 PolarHBondContact OE1-OG 3.13Å; S857-R859 PolarHBondContact O-N 3.42Å; S857-L860 WeakPolarHBondContact O-CB 3.26Å; S857-L860 PolarHBondContact O-N 2.96Å |
| 858 | S | 87.1 | Confident | 89.6 | Confident | 49 Ų | 49 | 57 Ų | 57 | 34% | 0.343 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.2 | -27.7 | 176.3 | 59.4 | 0 | 0 | 0 | 0 | 114.1 | N844 L860 F861 | N844-S858 PolarHBondContact O-N 3.49Å; S858-L860 PolarHBondContact O-N 3.15Å; S858-L860 VanDerWaalsContact O-N 3.1Å; S858-F861 PolarHBondContact O-N 3.42Å |
| 859 | R | 90.9 | Very high | 89.8 | Confident | 186 Ų | 186 | 56.7 Ų | 56.7 | 70% | 0.702 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -53.7 | -29.3 | 174.9 | -65.1 | 179.4 | 179.4 | 166.3 | 1.3 | 113.9 | S857 F861 S862 E863 | S857-R859 PolarHBondContact O-N 3.42Å; R859-F861 VanDerWaalsContact C-N 3.29Å; R859-F861 PolarHBondContact O-N 3.28Å; R859-S862 PolarHBondContact O-N 3.43Å; R859-E863 PolarHBondContact O-N 3.1Å |
| 860 | L | 92.9 | Very high | 90.2 | Very high | 2 Ų | 2 | 58.4 Ų | 58.4 | 1% | 0.01 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.4 | -44 | 175.9 | 172.9 | 62.2 | 0 | 0 | 0 | 111.5 | L737 M738 L741 I828 T856 S857 S858 E863 I864 | L737-L860 HydrophobicContact CD2-CD1 3.69Å; L737-L860 HydrophobicContact CD2-CD2 4.19Å; L737-L860 HydrophobicContact CG-CD1 4.12Å; M738-L860 HydrophobicContact CE-CB 4.23Å; M738-L860 HydrophobicContact CE-CD1 3.46Å; M738-L860 VanDerWaalsContact CE-CD1 3.46Å; M738-L860 HydrophobicContact CE-CG 4.46Å; L741-L860 HydrophobicContact CD1-CD1 3.66Å; I828-L860 HydrophobicContact CG1-CD2 4.34Å; I828-L860 HydrophobicContact CG2-CD2 4.49Å; T856-L860 HydrophobicContact CG2-CD2 4.31Å; T856-L860 WeakPolarHBondContact OG1-CB 3.37Å; S857-L860 WeakPolarHBondContact O-CB 3.26Å; S857-L860 PolarHBondContact O-N 2.96Å; S858-L860 PolarHBondContact O-N 3.15Å; S858-L860 VanDerWaalsContact O-N 3.1Å; L860-E863 PolarHBondContact O-N 3.45Å; L860-I864 HydrophobicContact CD1-CD1 3.94Å; L860-I864 HydrophobicContact CD1-CG1 4.25Å; L860-I864 HydrophobicContact CG-CD1 3.91Å; L860-I864 VanDerWaalsContact O-CG1 3.29Å; L860-I864 WeakPolarHBondContact O-CG1 3.25Å; L860-I864 PolarHBondContact O-N 3.05Å |
| 861 | F | 94.6 | Very high | 90.7 | Very high | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.009 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -72.3 | -36 | -176.9 | -59.1 | -78.2 | 0 | 0 | 0 | 111.5 | W846 S858 R859 E863 I864 Q865 L873 L957 Q960 I961 E964 | W846-F861 HydrophobicContact CH2-CE2 4.29Å; W846-F861 HydrophobicContact CZ3-CE2 4.36Å; S858-F861 PolarHBondContact O-N 3.42Å; R859-F861 VanDerWaalsContact C-N 3.29Å; R859-F861 PolarHBondContact O-N 3.28Å; F861-E863 VanDerWaalsContact C-N 3.35Å; F861-E863 PolarHBondContact O-N 3.07Å; F861-I864 PolarHBondContact O-N 3.44Å; F861-Q865 WeakPolarHBondContact O-CB 3.32Å; F861-Q865 PolarHBondContact O-N 3.41Å; F861-L873 HydrophobicContact CB-CD2 4.35Å; F861-L873 HydrophobicContact CD1-CD2 4.09Å; F861-L957 HydrophobicContact CZ-CD2 3.82Å; F861-Q960 HydrophobicContact CD2-CB 3.73Å; F861-Q960 HydrophobicContact CE1-CB 4.42Å; F861-Q960 HydrophobicContact CE2-CB 3.35Å; F861-Q960 HydrophobicContact CE2-CG 3.97Å; F861-Q960 HydrophobicContact CG-CB 4.4Å; F861-Q960 HydrophobicContact CZ-CB 3.74Å; F861-Q960 HydrophobicContact CZ-CG 4.48Å; F861-I961 HydrophobicContact CD1-CG1 3.61Å; F861-I961 HydrophobicContact CE1-CD1 4.24Å; F861-I961 HydrophobicContact CE1-CG1 3.56Å; F861-E964 HydrophobicContact CB-CB 4Å; F861-E964 HydrophobicContact CB-CG 4Å |
| 862 | S | 93.2 | Very high | 91.1 | Very high | 42 Ų | 42 | 50.9 Ų | 50.9 | 29% | 0.294 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.9 | -39 | 171.2 | -49.3 | 0 | 0 | 0 | 0 | 112.5 | R859 Q865 T866 E964 | R859-S862 PolarHBondContact O-N 3.43Å; S862-Q865 PolarHBondContact O-N 2.95Å; S862-T866 WeakPolarHBondContact O-CB 3.4Å; S862-T866 PolarHBondContact O-N 3.4Å; S862-T866 PolarHBondContact O-OG1 2.86Å; S862-E964 WeakPolarHBondContact CA-OE1 3.16Å; S862-E964 VanDerWaalsContact CB-OE1 3.24Å; S862-E964 WeakPolarHBondContact CB-OE1 3.49Å; S862-E964 PolarHBondContact OG-OE1 3.45Å; S862-E964 PolarHBondContact OG-OE2 3.38Å |
| 863 | E | 94.6 | Very high | 91.7 | Very high | 43 Ų | 43 | 44.1 Ų | 44.1 | 20% | 0.201 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -69.6 | -40.9 | 176 | -168.3 | 74.9 | -137.3 | 0 | 0 | 111.6 | M738 L741 K742 R859 L860 F861 Q865 T866 T867 | M738-E863 HydrophobicContact CE-CB 4.08Å; M738-E863 HydrophobicContact CE-CG 4.29Å; M738-E863 HydrophobicContact SD-CB 4.02Å; M738-E863 HydrophobicContact SD-CG 3.72Å; L741-E863 HydrophobicContact CB-CG 3.85Å; K742-E863 HydrophobicContact CG-CG 4.34Å; K742-E863 WeakPolarHBondContact CG-OE1 3.36Å; R859-E863 PolarHBondContact O-N 3.1Å; L860-E863 PolarHBondContact O-N 3.45Å; F861-E863 VanDerWaalsContact C-N 3.35Å; F861-E863 PolarHBondContact O-N 3.07Å; E863-Q865 VanDerWaalsContact C-N 3.3Å; E863-Q865 PolarHBondContact O-N 3.25Å; E863-T866 PolarHBondContact O-N 3.3Å; E863-T867 WeakPolarHBondContact O-CB 3.02Å; E863-T867 PolarHBondContact O-N 2.97Å; E863-T867 PolarHBondContact O-OG1 2.84Å |
| 864 | I | 95.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.6 | -43.1 | 172.9 | -70.3 | 168 | 0 | 0 | 0 | 110.1 | L741 I828 L860 F861 T867 L868 L873 L876 | L741-I864 HydrophobicContact CD1-CG1 3.76Å; L741-I864 HydrophobicContact CD2-CG1 4.24Å; I828-I864 HydrophobicContact CD1-CD1 3.74Å; L860-I864 HydrophobicContact CD1-CD1 3.94Å; L860-I864 HydrophobicContact CD1-CG1 4.25Å; L860-I864 HydrophobicContact CG-CD1 3.91Å; L860-I864 VanDerWaalsContact O-CG1 3.29Å; L860-I864 WeakPolarHBondContact O-CG1 3.25Å; L860-I864 PolarHBondContact O-N 3.05Å; F861-I864 PolarHBondContact O-N 3.44Å; I864-T867 PolarHBondContact O-N 2.97Å; I864-L868 HydrophobicContact CG2-CD1 4.05Å; I864-L868 PolarHBondContact O-N 2.97Å; I864-L873 HydrophobicContact CB-CD2 4.06Å; I864-L873 HydrophobicContact CG2-CD2 3.57Å; I864-L873 HydrophobicContact CG2-CG 4.1Å; I864-L876 HydrophobicContact CD1-CD1 4.2Å; I864-L876 HydrophobicContact CG2-CD1 4.1Å |
| 865 | Q | 92.4 | Very high | 92.1 | Very high | 25 Ų | 25 | 34.6 Ų | 34.6 | 12% | 0.117 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.4 | -43 | 176.1 | 179.8 | 163.2 | -0.4 | 0 | 0 | 112 | F861 S862 E863 T867 G869 L873 S968 | F861-Q865 WeakPolarHBondContact O-CB 3.32Å; F861-Q865 PolarHBondContact O-N 3.41Å; S862-Q865 PolarHBondContact O-N 2.95Å; E863-Q865 VanDerWaalsContact C-N 3.3Å; E863-Q865 PolarHBondContact O-N 3.25Å; Q865-T867 PolarHBondContact O-N 3.04Å; Q865-G869 WeakPolarHBondContact O-CA 3.49Å; Q865-G869 PolarHBondContact O-N 3.38Å; Q865-L873 HydrophobicContact CB-CD1 3.8Å; Q865-L873 HydrophobicContact CB-CG 4.43Å; Q865-L873 HydrophobicContact CG-CD1 4.39Å; Q865-S968 PolarHBondContact NE2-OG 3.37Å |
| 866 | T | 90.6 | Very high | 92.5 | Very high | 106 Ų | 106 | 32.4 Ų | 32.4 | 65% | 0.65 | 18% | 0.175 | S | C | * | . | H | α-helix | trans | -62.2 | -36 | 176.5 | -57.4 | 0 | 0 | 0 | 0 | 111.2 | S862 E863 | S862-T866 WeakPolarHBondContact O-CB 3.4Å; S862-T866 PolarHBondContact O-N 3.4Å; S862-T866 PolarHBondContact O-OG1 2.86Å; E863-T866 PolarHBondContact O-N 3.3Å |
| 867 | T | 91.9 | Very high | 92.7 | Very high | 3 Ų | 3 | 32 Ų | 32 | 2% | 0.018 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -86.6 | -43.4 | -173.6 | -56.8 | 0 | 0 | 0 | 0 | 113.7 | L741 L744 E863 I864 Q865 | L741-T867 HydrophobicContact CD2-CG2 4.32Å; L741-T867 PolarHBondContact O-OG1 3.42Å; L744-T867 HydrophobicContact CB-CG2 3.81Å; L744-T867 HydrophobicContact CD2-CG2 3.58Å; L744-T867 HydrophobicContact CG-CG2 3.49Å; L744-T867 VanDerWaalsContact CG-CG2 3.49Å; E863-T867 WeakPolarHBondContact O-CB 3.02Å; E863-T867 PolarHBondContact O-N 2.97Å; E863-T867 PolarHBondContact O-OG1 2.84Å; I864-T867 PolarHBondContact O-N 2.97Å; Q865-T867 PolarHBondContact O-N 3.04Å |
| 868 | L | 92.2 | Very high | 92.9 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -114.1 | -0.6 | -174.4 | -65.2 | 103.3 | 0 | 0 | 0 | 113.3 | L722 L726 L741 I778 F820 I821 L824 I864 G872 | L722-L868 HydrophobicContact CD2-CD2 3.9Å; L722-L868 HydrophobicContact CD2-CG 4.22Å; L726-L868 HydrophobicContact CD1-CD2 4.4Å; L741-L868 HydrophobicContact CD2-CD1 4.18Å; I778-L868 HydrophobicContact CD1-CB 4.18Å; I778-L868 WeakPolarHBondContact CD1-O 3.5Å; F820-L868 HydrophobicContact CD2-CD2 4.36Å; F820-L868 HydrophobicContact CE2-CD2 3.59Å; F820-L868 HydrophobicContact CZ-CD2 4.43Å; I821-L868 HydrophobicContact CD1-CD2 4.3Å; L824-L868 HydrophobicContact CD2-CD1 4.09Å; L824-L868 HydrophobicContact CD2-CD2 4.44Å; I864-L868 HydrophobicContact CG2-CD1 4.05Å; I864-L868 PolarHBondContact O-N 2.97Å; L868-G872 PolarHBondContact O-N 2.9Å |
| 869 | G | 90.9 | Very high | 93.3 | Very high | 26 Ų | 26 | 33.8 Ų | 33.8 | 27% | 0.268 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | 68.5 | -173.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q865 F871 G872 | Q865-G869 WeakPolarHBondContact O-CA 3.49Å; Q865-G869 PolarHBondContact O-N 3.38Å; G869-F871 PolarHBondContact O-N 2.87Å; G869-G872 PolarHBondContact O-N 2.81Å |
| 870 | T | 91.5 | Very high | 93.5 | Very high | 55 Ų | 55 | 25.1 Ų | 25.1 | 34% | 0.337 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -61 | -32.3 | 175.5 | 52.6 | 0 | 0 | 0 | 0 | 112.3 | G872 L873 N874 L965 | T870-G872 VanDerWaalsContact C-N 3.35Å; T870-G872 PolarHBondContact O-N 3.06Å; T870-L873 PolarHBondContact O-N 3.21Å; T870-N874 WeakPolarHBondContact O-CB 3.46Å; T870-N874 PolarHBondContact O-N 2.96Å; T870-L965 HydrophobicContact CG2-CD2 4.2Å |
| 871 | F | 92.2 | Very high | 93.6 | Very high | 71 Ų | 71 | 25.6 Ų | 25.6 | 31% | 0.311 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -63.3 | -38 | 177.7 | -52.2 | -65.5 | 0 | 0 | 0 | 112.5 | S775 I778 G869 G875 | S775-F871 WeakPolarHBondContact OG-CD1 3.38Å; S775-F871 VanDerWaalsContact OG-CE1 3.25Å; S775-F871 WeakPolarHBondContact OG-CE1 3.34Å; I778-F871 HydrophobicContact CB-CB 4.25Å; I778-F871 HydrophobicContact CD1-CB 4.12Å; I778-F871 HydrophobicContact CG2-CB 4.05Å; G869-F871 PolarHBondContact O-N 2.87Å; F871-G875 PolarHBondContact O-N 2.93Å |
| 872 | G | 93.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.7 | -46 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L868 G869 T870 G875 L876 | L868-G872 PolarHBondContact O-N 2.9Å; G869-G872 PolarHBondContact O-N 2.81Å; T870-G872 VanDerWaalsContact C-N 3.35Å; T870-G872 PolarHBondContact O-N 3.06Å; G872-G875 PolarHBondContact O-N 3.48Å; G872-L876 WeakPolarHBondContact O-CG 3.36Å; G872-L876 PolarHBondContact O-N 3.42Å |
| 873 | L | 95.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65 | -46.3 | 177.2 | -76.9 | -174.9 | 0 | 0 | 0 | 112.4 | F861 I864 Q865 T870 G875 L876 D877 I961 E964 L965 | F861-L873 HydrophobicContact CB-CD2 4.35Å; F861-L873 HydrophobicContact CD1-CD2 4.09Å; I864-L873 HydrophobicContact CB-CD2 4.06Å; I864-L873 HydrophobicContact CG2-CD2 3.57Å; I864-L873 HydrophobicContact CG2-CG 4.1Å; Q865-L873 HydrophobicContact CB-CD1 3.8Å; Q865-L873 HydrophobicContact CB-CG 4.43Å; Q865-L873 HydrophobicContact CG-CD1 4.39Å; T870-L873 PolarHBondContact O-N 3.21Å; L873-G875 VanDerWaalsContact C-N 3.31Å; L873-G875 PolarHBondContact O-N 3.4Å; L873-L876 PolarHBondContact O-N 2.84Å; L873-D877 PolarHBondContact O-N 3.43Å; L873-I961 HydrophobicContact CB-CG2 4.01Å; L873-I961 HydrophobicContact CD2-CG1 4.26Å; L873-I961 HydrophobicContact CD2-CG2 4.43Å; L873-E964 HydrophobicContact CD1-CB 4.25Å; L873-E964 HydrophobicContact CD1-CG 3.96Å; L873-L965 HydrophobicContact CB-CD1 4.4Å; L873-L965 HydrophobicContact CB-CD2 3.89Å; L873-L965 HydrophobicContact CB-CG 4.16Å; L873-L965 HydrophobicContact CD1-CD2 4Å; L873-L965 HydrophobicContact CD1-CG 4.16Å |
| 874 | N | 93.6 | Very high | 93.7 | Very high | 41 Ų | 41 | 25.6 Ų | 25.6 | 22% | 0.219 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.6 | -42.5 | 174.8 | -171.8 | -35.2 | 0 | 0 | 0 | 111.2 | T870 L876 D877 R878 A1019 | T870-N874 WeakPolarHBondContact O-CB 3.46Å; T870-N874 PolarHBondContact O-N 2.96Å; N874-L876 PolarHBondContact O-N 3.18Å; N874-D877 WeakPolarHBondContact O-CB 3.35Å; N874-D877 PolarHBondContact O-N 2.68Å; N874-R878 PolarHBondContact O-N 3.27Å; N874-A1019 WeakPolarHBondContact ND2-CA 3.15Å |
| 875 | G | 93.8 | Very high | 93.7 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.01 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58.9 | -42.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | V782 F871 G872 L873 L879 | V782-G875 VanDerWaalsContact CG2-CA 3.49Å; F871-G875 PolarHBondContact O-N 2.93Å; G872-G875 PolarHBondContact O-N 3.48Å; L873-G875 VanDerWaalsContact C-N 3.31Å; L873-G875 PolarHBondContact O-N 3.4Å; G875-L879 WeakPolarHBondContact O-CB 3.38Å; G875-L879 PolarHBondContact O-N 3.34Å |
| 876 | L | 95.8 | Very high | 93.6 | Very high | 3 Ų | 3 | 30.3 Ų | 30.3 | 2% | 0.016 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.3 | -43.9 | 173.4 | -72.7 | 173.3 | 0 | 0 | 0 | 111.7 | I821 L824 C825 I828 I864 G872 L873 N874 R878 L879 L880 I961 | I821-L876 HydrophobicContact CD1-CD2 3.89Å; I821-L876 HydrophobicContact CD1-CG 3.99Å; I821-L876 HydrophobicContact CG1-CD2 3.95Å; I821-L876 HydrophobicContact CG1-CG 4.38Å; L824-L876 HydrophobicContact CD2-CD1 4.04Å; L824-L876 HydrophobicContact CD2-CD2 4.32Å; L824-L876 HydrophobicContact CG-CD1 4.44Å; L824-L876 HydrophobicContact CG-CD2 4.28Å; C825-L876 HydrophobicContact CB-CD2 3.78Å; I828-L876 HydrophobicContact CD1-CD1 4.1Å; I864-L876 HydrophobicContact CD1-CD1 4.2Å; I864-L876 HydrophobicContact CG2-CD1 4.1Å; G872-L876 WeakPolarHBondContact O-CG 3.36Å; G872-L876 PolarHBondContact O-N 3.42Å; L873-L876 PolarHBondContact O-N 2.84Å; N874-L876 PolarHBondContact O-N 3.18Å; L876-R878 VanDerWaalsContact C-N 3.34Å; L876-R878 PolarHBondContact O-N 3.41Å; L876-L879 PolarHBondContact O-N 3.17Å; L876-L880 WeakPolarHBondContact O-CB 3.25Å; L876-L880 VanDerWaalsContact O-CG 3.26Å; L876-L880 WeakPolarHBondContact O-CG 3.5Å; L876-L880 PolarHBondContact O-N 2.86Å; L876-I961 HydrophobicContact CB-CD1 4.03Å |
| 877 | D | 95.3 | Very high | 93.8 | Very high | 7 Ų | 7 | 27.4 Ų | 27.4 | 4% | 0.037 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.3 | -45.4 | 176.8 | -173.9 | 68.4 | 0 | 0 | 0 | 111.8 | L873 N874 L880 C881 R958 I961 | L873-D877 PolarHBondContact O-N 3.43Å; N874-D877 WeakPolarHBondContact O-CB 3.35Å; N874-D877 PolarHBondContact O-N 2.68Å; D877-L880 PolarHBondContact O-N 3.06Å; D877-C881 PolarHBondContact O-N 3.03Å; D877-C881 PolarHBondContact O-SG 3.22Å; D877-R958 WeakPolarHBondContact OD1-CB 3.39Å; D877-R958 VanDerWaalsContact OD1-CG 3.24Å; D877-R958 WeakPolarHBondContact OD1-CG 3.28Å; D877-R958 IonicContact OD1-CZ 2.97Å; D877-R958 IonicContact OD1-NE 3.83Å; D877-R958 PolarHBondContact OD1-NE 3.37Å; D877-R958 IonicContact OD1-NH2 3.09Å; D877-R958 PolarHBondContact OD1-NH2 3.39Å; D877-R958 IonicContact OD2-CZ 2.63Å; D877-R958 IonicContact OD2-NE 2.89Å; D877-R958 IonicContact OD2-NH2 3.12Å; D877-R958 PolarHBondContact OD2-NH2 3.09Å; D877-I961 HydrophobicContact CB-CG2 4.15Å |
| 878 | R | 93.9 | Very high | 93.9 | Very high | 92 Ų | 92 | 27.4 Ų | 27.4 | 35% | 0.347 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -62.4 | -44.2 | 176.7 | -174.9 | 174.6 | 176.6 | -173.9 | -3 | 111.9 | N874 L876 C881 F882 | N874-R878 PolarHBondContact O-N 3.27Å; L876-R878 VanDerWaalsContact C-N 3.34Å; L876-R878 PolarHBondContact O-N 3.41Å; R878-C881 VanDerWaalsContact O-CB 3.31Å; R878-C881 WeakPolarHBondContact O-CB 3.47Å; R878-C881 PolarHBondContact O-N 2.97Å; R878-F882 HydrophobicContact CG-CD2 4.36Å; R878-F882 HydrophobicContact CG-CE2 4.11Å; R878-F882 WeakPolarHBondContact O-CD2 3.3Å; R878-F882 PolarHBondContact O-N 3.29Å |
| 879 | L | 94.8 | Very high | 93.9 | Very high | 3 Ų | 3 | 32.2 Ų | 32.2 | 2% | 0.016 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.3 | -44.1 | 176.9 | -178.6 | 60.7 | 0 | 0 | 0 | 111.4 | E785 F789 C825 G875 L876 C881 F882 M883 | E785-L879 HydrophobicContact CB-CD1 4.44Å; E785-L879 HydrophobicContact CG-CD1 3.87Å; E785-L879 HydrophobicContact CG-CD2 4.08Å; F789-L879 HydrophobicContact CD2-CD1 4.47Å; F789-L879 HydrophobicContact CE2-CD1 3.69Å; F789-L879 HydrophobicContact CZ-CD1 4.32Å; C825-L879 HydrophobicContact CB-CD2 3.61Å; G875-L879 WeakPolarHBondContact O-CB 3.38Å; G875-L879 PolarHBondContact O-N 3.34Å; L876-L879 PolarHBondContact O-N 3.17Å; L879-C881 VanDerWaalsContact C-N 3.26Å; L879-C881 PolarHBondContact O-N 3.47Å; L879-F882 PolarHBondContact O-N 2.76Å; L879-F882 VanDerWaalsContact O-N 3.15Å; L879-M883 HydrophobicContact CG-SD 4.29Å; L879-M883 WeakPolarHBondContact O-CG 3.48Å; L879-M883 PolarHBondContact O-N 3.23Å |
| 880 | L | 96.1 | Very high | 93.9 | Very high | 4 Ų | 4 | 34.5 Ų | 34.5 | 2% | 0.021 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.9 | -36.6 | 174.5 | -71.6 | 170.1 | 0 | 0 | 0 | 111.6 | L829 L876 D877 F882 M883 I884 M954 L957 R958 I961 | L829-L880 HydrophobicContact CD1-CD2 4.48Å; L829-L880 HydrophobicContact CD2-CD2 4.29Å; L876-L880 WeakPolarHBondContact O-CB 3.25Å; L876-L880 VanDerWaalsContact O-CG 3.26Å; L876-L880 WeakPolarHBondContact O-CG 3.5Å; L876-L880 PolarHBondContact O-N 2.86Å; D877-L880 PolarHBondContact O-N 3.06Å; L880-F882 PolarHBondContact O-N 2.99Å; L880-M883 PolarHBondContact O-N 3.45Å; L880-I884 WeakPolarHBondContact O-CB 3.34Å; L880-I884 VanDerWaalsContact O-CG1 3.25Å; L880-I884 WeakPolarHBondContact O-CG1 3.43Å; L880-I884 PolarHBondContact O-N 3.18Å; L880-M954 HydrophobicContact CD2-CB 4.16Å; L880-M954 HydrophobicContact CD2-CG 3.84Å; L880-M954 HydrophobicContact CD2-SD 4.27Å; L880-L957 HydrophobicContact CD1-CB 3.95Å; L880-R958 HydrophobicContact CB-CG 3.93Å; L880-R958 HydrophobicContact CD1-CG 3.95Å; L880-I961 HydrophobicContact CD1-CD1 3.89Å |
| 881 | C | 94.3 | Very high | 93.9 | Very high | 13 Ų | 13 | 32.1 Ų | 32.1 | 9% | 0.088 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -57.9 | -48.7 | 172.8 | -68.3 | 0 | 0 | 0 | 0 | 112 | D877 R878 L879 M883 I884 V885 R958 Y1030 | D877-C881 PolarHBondContact O-N 3.03Å; D877-C881 PolarHBondContact O-SG 3.22Å; R878-C881 VanDerWaalsContact O-CB 3.31Å; R878-C881 WeakPolarHBondContact O-CB 3.47Å; R878-C881 PolarHBondContact O-N 2.97Å; L879-C881 VanDerWaalsContact C-N 3.26Å; L879-C881 PolarHBondContact O-N 3.47Å; C881-M883 VanDerWaalsContact C-N 3.34Å; C881-M883 PolarHBondContact O-N 3.44Å; C881-I884 PolarHBondContact O-N 2.68Å; C881-V885 WeakPolarHBondContact O-CG2 3.42Å; C881-V885 PolarHBondContact O-N 3.46Å; C881-R958 PolarHBondContact SG-NE 2.78Å; C881-R958 VanDerWaalsContact SG-NE 3.37Å; C881-R958 PolarHBondContact SG-NH2 3.07Å; C881-R958 VanDerWaalsContact SG-NH2 3.37Å; C881-Y1030 HydrophobicContact CB-CD1 4.46Å; C881-Y1030 HydrophobicContact CB-CE1 4.03Å |
| 882 | F | 94.2 | Very high | 93.9 | Very high | 47 Ų | 47 | 30.2 Ų | 30.2 | 21% | 0.206 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.9 | -37.5 | 178 | -79.9 | -72.6 | 0 | 0 | 0 | 112.5 | C786 F789 L790 R878 L879 L880 V885 K886 | C786-F882 HydrophobicContact CB-CD2 4.01Å; C786-F882 HydrophobicContact CB-CE2 3.96Å; C786-F882 VanDerWaalsContact SG-CD2 3.53Å; F789-F882 HydrophobicContact CB-CB 3.97Å; F789-F882 HydrophobicContact CB-CD1 3.9Å; F789-F882 HydrophobicContact CB-CG 4.21Å; F789-F882 HydrophobicContact CD1-CB 4.25Å; F789-F882 HydrophobicContact CD2-CB 4Å; F789-F882 HydrophobicContact CG-CB 3.82Å; L790-F882 HydrophobicContact CD2-CD1 4.47Å; L790-F882 HydrophobicContact CD2-CE1 3.58Å; L790-F882 HydrophobicContact CD2-CZ 4.07Å; L790-F882 HydrophobicContact CG-CE1 4.4Å; R878-F882 HydrophobicContact CG-CD2 4.36Å; R878-F882 HydrophobicContact CG-CE2 4.11Å; R878-F882 WeakPolarHBondContact O-CD2 3.3Å; R878-F882 PolarHBondContact O-N 3.29Å; L879-F882 PolarHBondContact O-N 2.76Å; L879-F882 VanDerWaalsContact O-N 3.15Å; L880-F882 PolarHBondContact O-N 2.99Å; F882-V885 WeakPolarHBondContact O-CB 3.37Å; F882-V885 PolarHBondContact O-N 2.93Å; F882-K886 PolarHBondContact O-N 3.12Å |
| 883 | M | 94.6 | Very high | 93.7 | Very high | 39 Ų | 39 | 32.8 Ų | 32.8 | 19% | 0.192 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.5 | -40.6 | 174.4 | -66.5 | -178.8 | 73.9 | 0 | 0 | 111.5 | F789 L829 L879 L880 C881 K886 E887 M954 | F789-M883 HydrophobicContact CE1-CG 3.85Å; F789-M883 HydrophobicContact CZ-CG 3.62Å; L829-M883 HydrophobicContact CD1-CE 3.42Å; L829-M883 VanDerWaalsContact CD1-CE 3.42Å; L829-M883 HydrophobicContact CD1-SD 4.04Å; L879-M883 HydrophobicContact CG-SD 4.29Å; L879-M883 WeakPolarHBondContact O-CG 3.48Å; L879-M883 PolarHBondContact O-N 3.23Å; L880-M883 PolarHBondContact O-N 3.45Å; C881-M883 VanDerWaalsContact C-N 3.34Å; C881-M883 PolarHBondContact O-N 3.44Å; M883-K886 PolarHBondContact O-N 3.06Å; M883-E887 WeakPolarHBondContact O-CG 3.31Å; M883-E887 PolarHBondContact O-N 3.04Å; M883-M954 HydrophobicContact CB-SD 3.53Å; M883-M954 VanDerWaalsContact CB-SD 3.53Å |
| 884 | I | 95.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.3 | -45.4 | 172.9 | -69.4 | 166 | 0 | 0 | 0 | 110.8 | L880 C881 K886 E887 L888 V951 M954 Q955 Y1030 | L880-I884 WeakPolarHBondContact O-CB 3.34Å; L880-I884 VanDerWaalsContact O-CG1 3.25Å; L880-I884 WeakPolarHBondContact O-CG1 3.43Å; L880-I884 PolarHBondContact O-N 3.18Å; C881-I884 PolarHBondContact O-N 2.68Å; I884-K886 VanDerWaalsContact C-N 3.32Å; I884-K886 PolarHBondContact O-N 3.4Å; I884-E887 PolarHBondContact O-N 3.09Å; I884-L888 HydrophobicContact CG2-CD1 3.6Å; I884-L888 HydrophobicContact CG2-CG 4.08Å; I884-L888 WeakPolarHBondContact O-CB 3.45Å; I884-L888 WeakPolarHBondContact O-CG 3.38Å; I884-L888 PolarHBondContact O-N 3.03Å; I884-V951 HydrophobicContact CG2-CG1 4.37Å; I884-M954 HydrophobicContact CB-CE 4.42Å; I884-M954 HydrophobicContact CD1-CB 3.86Å; I884-M954 HydrophobicContact CG1-CB 3.74Å; I884-M954 HydrophobicContact CG1-CE 3.68Å; I884-M954 HydrophobicContact CG1-CG 4.41Å; I884-M954 HydrophobicContact CG1-SD 3.85Å; I884-Q955 HydrophobicContact CD1-CG 4.1Å; I884-Y1030 HydrophobicContact CB-CD1 4.31Å; I884-Y1030 HydrophobicContact CB-CE1 4.11Å; I884-Y1030 HydrophobicContact CD1-CE1 4.13Å; I884-Y1030 VanDerWaalsContact CD1-OH 3.25Å; I884-Y1030 WeakPolarHBondContact CD1-OH 3.24Å; I884-Y1030 HydrophobicContact CG2-CD1 3.96Å; I884-Y1030 HydrophobicContact CG2-CD2 3.79Å; I884-Y1030 HydrophobicContact CG2-CE1 3.93Å; I884-Y1030 HydrophobicContact CG2-CE2 3.76Å; I884-Y1030 HydrophobicContact CG2-CG 3.86Å |
| 885 | V | 94.4 | Very high | 93.3 | Very high | 31 Ų | 31 | 32.1 Ų | 32.1 | 19% | 0.188 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -54.5 | -49.8 | 175.5 | 171.2 | 0 | 0 | 0 | 0 | 110.5 | C881 F882 L888 Q889 Y1030 I1031 | C881-V885 WeakPolarHBondContact O-CG2 3.42Å; C881-V885 PolarHBondContact O-N 3.46Å; F882-V885 WeakPolarHBondContact O-CB 3.37Å; F882-V885 PolarHBondContact O-N 2.93Å; V885-L888 PolarHBondContact O-N 3.32Å; V885-Q889 HydrophobicContact CG1-CG 4.47Å; V885-Q889 VanDerWaalsContact O-CG 3.31Å; V885-Q889 WeakPolarHBondContact O-CG 3.34Å; V885-Q889 PolarHBondContact O-N 3.22Å; V885-Y1030 HydrophobicContact CG2-CD1 4.07Å; V885-Y1030 HydrophobicContact CG2-CG 4.41Å; V885-I1031 HydrophobicContact CG1-CG2 4.05Å |
| 886 | K | 92.1 | Very high | 93 | Very high | 94 Ų | 94 | 36.6 Ų | 36.6 | 41% | 0.409 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -62.1 | -46.1 | 179.5 | -177.6 | 174.1 | -179.3 | 172.4 | 0 | 112.1 | F789 F882 M883 I884 L888 Q889 N890 | F789-K886 HydrophobicContact CD1-CB 4.01Å; F789-K886 HydrophobicContact CD1-CD 3.67Å; F789-K886 HydrophobicContact CD1-CG 4.46Å; F789-K886 HydrophobicContact CE1-CB 4.33Å; F789-K886 HydrophobicContact CE1-CD 3.66Å; F882-K886 PolarHBondContact O-N 3.12Å; M883-K886 PolarHBondContact O-N 3.06Å; I884-K886 VanDerWaalsContact C-N 3.32Å; I884-K886 PolarHBondContact O-N 3.4Å; K886-L888 VanDerWaalsContact C-N 3.34Å; K886-L888 PolarHBondContact O-N 2.81Å; K886-Q889 PolarHBondContact O-N 3.05Å; K886-N890 WeakPolarHBondContact O-CB 3.32Å; K886-N890 PolarHBondContact O-N 2.97Å; K886-N890 PolarHBondContact O-ND2 3.31Å |
| 887 | E | 94.3 | Very high | 92.6 | Very high | 45 Ų | 45 | 43 Ų | 43 | 21% | 0.21 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.9 | -36.8 | 177.7 | -72.3 | -55.4 | 133.3 | 0 | 0 | 112.2 | M883 I884 N890 F891 V951 M954 | M883-E887 WeakPolarHBondContact O-CG 3.31Å; M883-E887 PolarHBondContact O-N 3.04Å; I884-E887 PolarHBondContact O-N 3.09Å; E887-N890 PolarHBondContact O-N 2.95Å; E887-F891 VanDerWaalsContact O-CB 3.27Å; E887-F891 WeakPolarHBondContact O-CB 3.38Å; E887-F891 PolarHBondContact O-N 2.72Å; E887-V951 HydrophobicContact CB-CG2 4.08Å; E887-M954 HydrophobicContact CB-CE 4.21Å; E887-M954 HydrophobicContact CG-CE 3.84Å |
| 888 | L | 93.9 | Very high | 92.2 | Very high | 3 Ų | 3 | 45.8 Ų | 45.8 | 2% | 0.016 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -68.3 | -38.9 | 174.5 | -70 | 171.3 | 0 | 0 | 0 | 112.1 | I884 V885 K886 F891 L892 V951 Y1030 I1031 L1083 Q1086 | I884-L888 HydrophobicContact CG2-CD1 3.6Å; I884-L888 HydrophobicContact CG2-CG 4.08Å; I884-L888 WeakPolarHBondContact O-CB 3.45Å; I884-L888 WeakPolarHBondContact O-CG 3.38Å; I884-L888 PolarHBondContact O-N 3.03Å; V885-L888 PolarHBondContact O-N 3.32Å; K886-L888 VanDerWaalsContact C-N 3.34Å; K886-L888 PolarHBondContact O-N 2.81Å; L888-F891 WeakPolarHBondContact O-CB 3.46Å; L888-F891 PolarHBondContact O-N 3.46Å; L888-L892 WeakPolarHBondContact O-CG 3.43Å; L888-L892 PolarHBondContact O-N 3.05Å; L888-V951 HydrophobicContact CD2-CG2 4.31Å; L888-Y1030 HydrophobicContact CD1-CD2 4.07Å; L888-Y1030 HydrophobicContact CD1-CG 4.22Å; L888-I1031 HydrophobicContact CB-CD1 3.85Å; L888-I1031 HydrophobicContact CB-CG1 4.34Å; L888-I1031 HydrophobicContact CB-CG2 4.3Å; L888-I1031 HydrophobicContact CD1-CG1 4.26Å; L888-L1083 HydrophobicContact CD2-CD1 3.93Å; L888-Q1086 HydrophobicContact CD1-CG 3.98Å |
| 889 | Q | 91.4 | Very high | 91.8 | Very high | 101 Ų | 101 | 41.5 Ų | 41.5 | 47% | 0.472 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -66 | -40.9 | 173.4 | -72.9 | 172.7 | -13.8 | 0 | 0 | 112 | V885 K886 F891 L892 S893 I1031 | V885-Q889 HydrophobicContact CG1-CG 4.47Å; V885-Q889 VanDerWaalsContact O-CG 3.31Å; V885-Q889 WeakPolarHBondContact O-CG 3.34Å; V885-Q889 PolarHBondContact O-N 3.22Å; K886-Q889 PolarHBondContact O-N 3.05Å; Q889-F891 VanDerWaalsContact C-N 3.3Å; Q889-F891 PolarHBondContact O-N 3.47Å; Q889-L892 PolarHBondContact O-N 3.15Å; Q889-S893 PolarHBondContact O-N 3.08Å; Q889-S893 PolarHBondContact O-OG 3.22Å; Q889-I1031 HydrophobicContact CG-CG2 4.17Å |
| 890 | N | 90.9 | Very high | 91.4 | Very high | 75 Ų | 75 | 43.3 Ų | 43.3 | 40% | 0.401 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -60.3 | -43.4 | 172 | -72.6 | -18.5 | 0 | 0 | 0 | 110.7 | K886 E887 S893 M894 | K886-N890 WeakPolarHBondContact O-CB 3.32Å; K886-N890 PolarHBondContact O-N 2.97Å; K886-N890 PolarHBondContact O-ND2 3.31Å; E887-N890 PolarHBondContact O-N 2.95Å; N890-S893 PolarHBondContact O-N 2.95Å; N890-M894 VanDerWaalsContact O-CB 3.3Å; N890-M894 WeakPolarHBondContact O-CB 3.4Å; N890-M894 PolarHBondContact O-N 3.05Å |
| 891 | F | 92.5 | Very high | 91 | Very high | 5 Ų | 5 | 52.5 Ų | 52.5 | 2% | 0.022 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.1 | -46.3 | 175 | 173.7 | -84.7 | 0 | 0 | 0 | 111.8 | E887 L888 Q889 S893 M894 F895 Y944 A947 I948 F1039 L1083 | E887-F891 VanDerWaalsContact O-CB 3.27Å; E887-F891 WeakPolarHBondContact O-CB 3.38Å; E887-F891 PolarHBondContact O-N 2.72Å; L888-F891 WeakPolarHBondContact O-CB 3.46Å; L888-F891 PolarHBondContact O-N 3.46Å; Q889-F891 VanDerWaalsContact C-N 3.3Å; Q889-F891 PolarHBondContact O-N 3.47Å; F891-S893 VanDerWaalsContact C-N 3.33Å; F891-S893 PolarHBondContact O-N 2.89Å; F891-M894 HydrophobicContact CD2-CE 3.62Å; F891-M894 HydrophobicContact CE2-CE 3.91Å; F891-M894 HydrophobicContact CG-CE 4.45Å; F891-M894 WeakPolarHBondContact O-CB 3.36Å; F891-M894 PolarHBondContact O-N 3.03Å; F891-F895 HydrophobicContact CE1-CB 4.36Å; F891-F895 HydrophobicContact CE1-CD2 4.18Å; F891-F895 HydrophobicContact CZ-CD2 4.04Å; F891-F895 WeakPolarHBondContact O-CB 3.44Å; F891-F895 PolarHBondContact O-N 3.46Å; F891-Y944 HydrophobicContact CE2-CD1 4.06Å; F891-Y944 AromaticContact CE2-CD2 3.78Å; F891-Y944 HydrophobicContact CE2-CD2 3.78Å; F891-Y944 AromaticContact CE2-CE1 3.67Å; F891-Y944 HydrophobicContact CE2-CE1 3.67Å; F891-Y944 AromaticContact CE2-CE2 3.37Å; F891-Y944 HydrophobicContact CE2-CE2 3.37Å; F891-Y944 HydrophobicContact CE2-CG 4.13Å; F891-Y944 AromaticContact CE2-CZ 3.33Å; F891-Y944 HydrophobicContact CZ-CD2 4.34Å; F891-Y944 HydrophobicContact CZ-CE1 4.1Å; F891-Y944 AromaticContact CZ-CE2 3.49Å; F891-Y944 HydrophobicContact CZ-CE2 3.49Å; F891-Y944 VanDerWaalsContact CZ-CE2 3.49Å; F891-Y944 AromaticContact CZ-CZ 3.36Å; F891-Y944 VanDerWaalsContact CZ-OH 3.29Å; F891-Y944 WeakPolarHBondContact CZ-OH 3.3Å; F891-A947 HydrophobicContact CD2-CB 4.22Å; F891-I948 HydrophobicContact CE2-CD1 4.38Å; F891-F1039 HydrophobicContact CE1-CE2 4.21Å; F891-L1083 HydrophobicContact CD1-CD1 3.74Å; F891-L1083 HydrophobicContact CD1-CD2 4.39Å; F891-L1083 HydrophobicContact CE1-CD1 3.64Å; F891-L1083 HydrophobicContact CE1-CD2 3.72Å; F891-L1083 HydrophobicContact CE1-CG 4.33Å; F891-L1083 HydrophobicContact CE2-CD2 3.92Å; F891-L1083 HydrophobicContact CG-CD1 4.47Å; F891-L1083 HydrophobicContact CZ-CD1 4.24Å; F891-L1083 HydrophobicContact CZ-CD2 3.45Å; F891-L1083 VanDerWaalsContact CZ-CD2 3.45Å; F891-L1083 HydrophobicContact CZ-CG 4.5Å |
| 892 | L | 91.2 | Very high | 90.7 | Very high | 30 Ų | 30 | 54.9 Ų | 54.9 | 16% | 0.157 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.5 | -43.4 | 176.6 | -70.9 | -178 | 0 | 0 | 0 | 111.9 | L888 Q889 M894 F895 Q896 I1031 L1036 F1087 | L888-L892 WeakPolarHBondContact O-CG 3.43Å; L888-L892 PolarHBondContact O-N 3.05Å; Q889-L892 PolarHBondContact O-N 3.15Å; L892-M894 VanDerWaalsContact C-N 3.33Å; L892-F895 PolarHBondContact O-N 3.37Å; L892-Q896 WeakPolarHBondContact O-CG 3.48Å; L892-Q896 PolarHBondContact O-N 3.4Å; L892-I1031 HydrophobicContact CD1-CD1 3.7Å; L892-I1031 HydrophobicContact CG-CD1 4.16Å; L892-L1036 HydrophobicContact CD2-CD1 3.76Å; L892-F1087 HydrophobicContact CD2-CZ 3.81Å |
| 893 | S | 89.3 | Confident | 90.3 | Very high | 54 Ų | 54 | 62 Ų | 62 | 38% | 0.378 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.9 | -41.5 | 177.1 | -62.2 | 0 | 0 | 0 | 0 | 111.4 | Q889 N890 F891 Q896 K897 | Q889-S893 PolarHBondContact O-N 3.08Å; Q889-S893 PolarHBondContact O-OG 3.22Å; N890-S893 PolarHBondContact O-N 2.95Å; F891-S893 VanDerWaalsContact C-N 3.33Å; F891-S893 PolarHBondContact O-N 2.89Å; S893-Q896 PolarHBondContact O-N 2.92Å; S893-K897 WeakPolarHBondContact O-CB 3.41Å; S893-K897 VanDerWaalsContact O-CG 3.28Å; S893-K897 WeakPolarHBondContact O-CG 3.44Å; S893-K897 PolarHBondContact O-N 3.5Å |
| 894 | M | 90.3 | Very high | 89.9 | Confident | 27 Ų | 27 | 64.5 Ų | 64.5 | 13% | 0.133 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.8 | -45.9 | 174.7 | 177.3 | -92.9 | -72.4 | 0 | 0 | 111.6 | N890 F891 L892 Q896 K897 I898 Y944 | N890-M894 VanDerWaalsContact O-CB 3.3Å; N890-M894 WeakPolarHBondContact O-CB 3.4Å; N890-M894 PolarHBondContact O-N 3.05Å; F891-M894 HydrophobicContact CD2-CE 3.62Å; F891-M894 HydrophobicContact CE2-CE 3.91Å; F891-M894 HydrophobicContact CG-CE 4.45Å; F891-M894 WeakPolarHBondContact O-CB 3.36Å; F891-M894 PolarHBondContact O-N 3.03Å; L892-M894 VanDerWaalsContact C-N 3.33Å; M894-Q896 VanDerWaalsContact C-N 3.32Å; M894-Q896 PolarHBondContact O-N 3.06Å; M894-K897 PolarHBondContact O-N 3.03Å; M894-I898 HydrophobicContact CG-CD1 3.61Å; M894-I898 HydrophobicContact CG-CG1 4.18Å; M894-I898 WeakPolarHBondContact O-CB 3.29Å; M894-I898 PolarHBondContact O-N 2.87Å; M894-I898 HydrophobicContact SD-CD1 4.26Å; M894-Y944 HydrophobicContact CE-CD2 3.93Å; M894-Y944 HydrophobicContact CE-CG 4.29Å; M894-Y944 HydrophobicContact SD-CD2 4.22Å |
| 895 | F | 90.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 31% | 0.306 | C | S | . | . | I | π-helix | trans | -58.6 | -44.8 | 176.1 | -168.2 | -78.4 | 0 | 0 | 0 | 110.9 | F891 L892 I899 L900 Y944 L1036 F1039 V1042 | F891-F895 HydrophobicContact CE1-CB 4.36Å; F891-F895 HydrophobicContact CE1-CD2 4.18Å; F891-F895 HydrophobicContact CZ-CD2 4.04Å; F891-F895 WeakPolarHBondContact O-CB 3.44Å; F891-F895 PolarHBondContact O-N 3.46Å; L892-F895 PolarHBondContact O-N 3.37Å; F895-I899 HydrophobicContact CB-CD1 4.5Å; F895-I899 HydrophobicContact CD1-CB 4.48Å; F895-I899 HydrophobicContact CD2-CD1 3.42Å; F895-I899 VanDerWaalsContact CD2-CD1 3.42Å; F895-I899 HydrophobicContact CE1-CG2 4.36Å; F895-I899 HydrophobicContact CE2-CD1 3.61Å; F895-I899 HydrophobicContact CG-CD1 3.92Å; F895-I899 HydrophobicContact CZ-CD1 4.25Å; F895-I899 HydrophobicContact CZ-CG2 4.27Å; F895-I899 WeakPolarHBondContact O-CA 3.49Å; F895-I899 VanDerWaalsContact O-CB 3.24Å; F895-I899 WeakPolarHBondContact O-CB 3.24Å; F895-I899 PolarHBondContact O-N 3.16Å; F895-L900 HydrophobicContact CD1-CD1 4.06Å; F895-L900 HydrophobicContact CD1-CG 3.96Å; F895-L900 HydrophobicContact CE1-CD1 4.11Å; F895-L900 HydrophobicContact CE1-CD2 3.99Å; F895-L900 HydrophobicContact CE1-CG 3.88Å; F895-L900 PolarHBondContact O-N 2.95Å; F895-L900 VanDerWaalsContact O-N 3.09Å; F895-Y944 HydrophobicContact CD2-CE2 4.32Å; F895-L1036 HydrophobicContact CD1-CD1 4.14Å; F895-L1036 HydrophobicContact CD1-CD2 4.42Å; F895-L1036 HydrophobicContact CE1-CB 4.35Å; F895-L1036 HydrophobicContact CE1-CD1 4.31Å; F895-F1039 HydrophobicContact CD2-CD2 4.46Å; F895-F1039 AromaticContact CE2-CD2 3.91Å; F895-F1039 HydrophobicContact CE2-CD2 3.91Å; F895-F1039 HydrophobicContact CZ-CB 4.36Å; F895-F1039 HydrophobicContact CZ-CD2 4.16Å; F895-V1042 HydrophobicContact CE2-CB 4.05Å; F895-V1042 HydrophobicContact CE2-CG1 3.85Å; F895-V1042 HydrophobicContact CE2-CG2 4.2Å; F895-V1042 HydrophobicContact CZ-CB 4.43Å; F895-V1042 HydrophobicContact CZ-CG2 4.18Å |
| 896 | Q | 87.8 | Confident | 89.3 | Confident | 95 Ų | 95 | 66.3 Ų | 66.3 | 44% | 0.444 | 31% | 0.311 | S | S | . | . | I | π-helix | trans | -63.9 | -45.8 | 176.4 | -73 | 178.5 | 7.1 | 0 | 0 | 112.5 | L892 S893 M894 L900 R901 | L892-Q896 WeakPolarHBondContact O-CG 3.48Å; L892-Q896 PolarHBondContact O-N 3.4Å; S893-Q896 PolarHBondContact O-N 2.92Å; M894-Q896 VanDerWaalsContact C-N 3.32Å; M894-Q896 PolarHBondContact O-N 3.06Å; Q896-L900 HydrophobicContact CG-CD1 4.24Å; Q896-L900 CarbonylContact O-C 3.55Å; Q896-L900 WeakPolarHBondContact O-CB 3.28Å; Q896-L900 PolarHBondContact O-N 2.97Å; Q896-R901 WeakPolarHBondContact O-CG 3.33Å; Q896-R901 PolarHBondContact O-N 2.95Å |
| 897 | K | 87 | Confident | 89.2 | Confident | 137 Ų | 137 | 66 Ų | 66 | 60% | 0.596 | 31% | 0.313 | S | S | * | . | I | π-helix | trans | -74.2 | -43.7 | -175.5 | -72.2 | 176 | -176.7 | 179.4 | 0 | 113.3 | S893 M894 | S893-K897 WeakPolarHBondContact O-CB 3.41Å; S893-K897 VanDerWaalsContact O-CG 3.28Å; S893-K897 WeakPolarHBondContact O-CG 3.44Å; S893-K897 PolarHBondContact O-N 3.5Å; M894-K897 PolarHBondContact O-N 3.03Å |
| 898 | I | 86.6 | Confident | 88.9 | Confident | 67 Ų | 67 | 65 Ų | 65 | 34% | 0.344 | 31% | 0.31 | S | S | . | . | I | π-helix | trans | -90.2 | -36.3 | -172.3 | -57.8 | -173.2 | 0 | 0 | 0 | 111.5 | M894 D902 I940 | M894-I898 HydrophobicContact CG-CD1 3.61Å; M894-I898 HydrophobicContact CG-CG1 4.18Å; M894-I898 WeakPolarHBondContact O-CB 3.29Å; M894-I898 PolarHBondContact O-N 2.87Å; M894-I898 HydrophobicContact SD-CD1 4.26Å; I898-D902 WeakPolarHBondContact O-CB 3.32Å; I898-I940 HydrophobicContact CG2-CG1 4.02Å; I898-I940 HydrophobicContact CG2-CG2 4.27Å |
| 899 | I | 86.4 | Confident | 88.8 | Confident | 1 Ų | 1 | 64.9 Ų | 64.9 | 1% | 0.005 | 31% | 0.31 | C | S | . | . | I | π-helix | trans | -100.3 | -50.2 | -173.9 | -58.2 | 167.8 | 0 | 0 | 0 | 110.8 | F895 V905 L909 I940 Y944 V1042 | F895-I899 HydrophobicContact CB-CD1 4.5Å; F895-I899 HydrophobicContact CD1-CB 4.48Å; F895-I899 HydrophobicContact CD2-CD1 3.42Å; F895-I899 VanDerWaalsContact CD2-CD1 3.42Å; F895-I899 HydrophobicContact CE1-CG2 4.36Å; F895-I899 HydrophobicContact CE2-CD1 3.61Å; F895-I899 HydrophobicContact CG-CD1 3.92Å; F895-I899 HydrophobicContact CZ-CD1 4.25Å; F895-I899 HydrophobicContact CZ-CG2 4.27Å; F895-I899 WeakPolarHBondContact O-CA 3.49Å; F895-I899 VanDerWaalsContact O-CB 3.24Å; F895-I899 WeakPolarHBondContact O-CB 3.24Å; F895-I899 PolarHBondContact O-N 3.16Å; I899-V905 HydrophobicContact CG2-CG1 4.03Å; I899-L909 HydrophobicContact CG2-CD1 3.76Å; I899-I940 HydrophobicContact CD1-CG2 4.17Å; I899-I940 HydrophobicContact CG1-CD1 4.25Å; I899-I940 HydrophobicContact CG1-CG2 4.15Å; I899-Y944 HydrophobicContact CD1-CE2 4.17Å; I899-V1042 HydrophobicContact CD1-CG1 3.82Å; I899-V1042 HydrophobicContact CG2-CG2 4.18Å |
| 900 | L | 87 | Confident | 88.7 | Confident | 41 Ų | 41 | 65.5 Ų | 65.5 | 22% | 0.215 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -82.6 | -13.6 | -174.1 | -60.8 | -179.2 | 0 | 0 | 0 | 114.5 | F895 Q896 Q906 L1036 P1037 | F895-L900 HydrophobicContact CD1-CD1 4.06Å; F895-L900 HydrophobicContact CD1-CG 3.96Å; F895-L900 HydrophobicContact CE1-CD1 4.11Å; F895-L900 HydrophobicContact CE1-CD2 3.99Å; F895-L900 HydrophobicContact CE1-CG 3.88Å; F895-L900 PolarHBondContact O-N 2.95Å; F895-L900 VanDerWaalsContact O-N 3.09Å; Q896-L900 HydrophobicContact CG-CD1 4.24Å; Q896-L900 CarbonylContact O-C 3.55Å; Q896-L900 WeakPolarHBondContact O-CB 3.28Å; Q896-L900 PolarHBondContact O-N 2.97Å; L900-Q906 PolarHBondContact O-NE2 3.42Å; L900-L1036 HydrophobicContact CD1-CD2 4.18Å; L900-P1037 HydrophobicContact CD2-CB 4.44Å |
| 901 | R | 86.4 | Confident | 88.6 | Confident | 197 Ų | 197 | 66.6 Ų | 66.6 | 74% | 0.743 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -99.9 | -16.1 | 173.2 | -67.9 | -178.6 | -178.6 | -170.6 | -1.2 | 113.7 | Q896 R903 | Q896-R901 WeakPolarHBondContact O-CG 3.33Å; Q896-R901 PolarHBondContact O-N 2.95Å; R901-R903 PolarHBondContact O-N 3.24Å |
| 902 | D | 87.9 | Confident | 88.4 | Confident | 63 Ų | 63 | 66.7 Ų | 66.7 | 34% | 0.337 | 32% | 0.321 | S | S | . | . | trans | -87.2 | 108.7 | 177.8 | -169.6 | -27.6 | 0 | 0 | 0 | 111.1 | I898 T904 V905 Q906 | I898-D902 WeakPolarHBondContact O-CB 3.32Å; D902-T904 VanDerWaalsContact C-N 3.26Å; D902-T904 PolarHBondContact O-N 3.36Å; D902-T904 WeakPolarHBondContact OD1-CB 3.36Å; D902-T904 PolarHBondContact OD1-N 3.06Å; D902-T904 PolarHBondContact OD1-OG1 3.35Å; D902-V905 HydrophobicContact CB-CB 4.09Å; D902-V905 HydrophobicContact CB-CG2 3.89Å; D902-V905 PolarHBondContact O-N 3.38Å; D902-V905 PolarHBondContact OD1-N 3.13Å; D902-Q906 WeakPolarHBondContact O-CG 3.43Å; D902-Q906 PolarHBondContact O-N 2.95Å | ||
| 903 | R | 86.7 | Confident | 88.3 | Confident | 196 Ų | 196 | 68.3 Ų | 68.3 | 74% | 0.74 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -61.8 | -34.1 | -178.8 | -154.4 | 173.8 | -172.7 | 168 | 2.2 | 112.4 | R901 Q906 D907 | R901-R903 PolarHBondContact O-N 3.24Å; R903-Q906 PolarHBondContact O-N 3.1Å; R903-D907 VanDerWaalsContact O-CG 3.31Å; R903-D907 PolarHBondContact O-N 3.25Å |
| 904 | T | 86.6 | Confident | 88.2 | Confident | 92 Ų | 92 | 71.1 Ų | 71.1 | 56% | 0.564 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -69.7 | -37.5 | -179.5 | 67.6 | 0 | 0 | 0 | 0 | 112 | D902 T908 | D902-T904 VanDerWaalsContact C-N 3.26Å; D902-T904 PolarHBondContact O-N 3.36Å; D902-T904 WeakPolarHBondContact OD1-CB 3.36Å; D902-T904 PolarHBondContact OD1-N 3.06Å; D902-T904 PolarHBondContact OD1-OG1 3.35Å; T904-T908 WeakPolarHBondContact O-CB 3.34Å; T904-T908 PolarHBondContact O-N 2.97Å; T904-T908 VanDerWaalsContact O-N 3.12Å; T904-T908 PolarHBondContact O-OG1 3.37Å |
| 905 | V | 87.6 | Confident | 88 | Confident | 8 Ų | 8 | 72.1 Ų | 72.1 | 5% | 0.048 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -68.3 | -45 | 174.5 | 176.8 | 0 | 0 | 0 | 0 | 109.8 | I899 D902 D907 T908 L909 I940 | I899-V905 HydrophobicContact CG2-CG1 4.03Å; D902-V905 HydrophobicContact CB-CB 4.09Å; D902-V905 HydrophobicContact CB-CG2 3.89Å; D902-V905 PolarHBondContact O-N 3.38Å; D902-V905 PolarHBondContact OD1-N 3.13Å; V905-D907 PolarHBondContact O-N 3.14Å; V905-T908 WeakPolarHBondContact O-CB 3.49Å; V905-T908 PolarHBondContact O-N 3.41Å; V905-L909 HydrophobicContact CG1-CD1 3.92Å; V905-L909 HydrophobicContact CG1-CG 4.29Å; V905-L909 VanDerWaalsContact O-CG 3.3Å; V905-L909 WeakPolarHBondContact O-CG 3.39Å; V905-L909 PolarHBondContact O-N 2.85Å; V905-I940 HydrophobicContact CB-CD1 4.49Å; V905-I940 HydrophobicContact CG1-CD1 3.7Å; V905-I940 HydrophobicContact CG2-CD1 3.91Å |
| 906 | Q | 89.3 | Confident | 87.8 | Confident | 62 Ų | 62 | 72.1 Ų | 72.1 | 29% | 0.29 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -59.3 | -46 | 176.7 | -71.5 | -167.9 | 3.4 | 0 | 0 | 113 | L900 D902 R903 T908 L909 K910 | L900-Q906 PolarHBondContact O-NE2 3.42Å; D902-Q906 WeakPolarHBondContact O-CG 3.43Å; D902-Q906 PolarHBondContact O-N 2.95Å; R903-Q906 PolarHBondContact O-N 3.1Å; Q906-T908 VanDerWaalsContact C-N 3.29Å; Q906-T908 PolarHBondContact O-N 3.27Å; Q906-L909 PolarHBondContact O-N 2.89Å; Q906-K910 WeakPolarHBondContact O-CB 3.23Å; Q906-K910 PolarHBondContact O-N 3.02Å |
| 907 | D | 89.6 | Confident | 87.6 | Confident | 86 Ų | 86 | 71.3 Ų | 71.3 | 46% | 0.46 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63.5 | -37.8 | 178.8 | -72.3 | -27.5 | 0 | 0 | 0 | 111.3 | R903 V905 T911 | R903-D907 VanDerWaalsContact O-CG 3.31Å; R903-D907 PolarHBondContact O-N 3.25Å; V905-D907 PolarHBondContact O-N 3.14Å; D907-T911 WeakPolarHBondContact O-CB 3.12Å; D907-T911 PolarHBondContact O-N 2.92Å; D907-T911 PolarHBondContact O-OG1 3.4Å |
| 908 | T | 88.6 | Confident | 87.5 | Confident | 24 Ų | 24 | 68.8 Ų | 68.8 | 15% | 0.147 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64.3 | -46.7 | 174.4 | -58.5 | 0 | 0 | 0 | 0 | 111.5 | T904 V905 Q906 T911 L912 K936 T937 | T904-T908 WeakPolarHBondContact O-CB 3.34Å; T904-T908 PolarHBondContact O-N 2.97Å; T904-T908 VanDerWaalsContact O-N 3.12Å; T904-T908 PolarHBondContact O-OG1 3.37Å; V905-T908 WeakPolarHBondContact O-CB 3.49Å; V905-T908 PolarHBondContact O-N 3.41Å; Q906-T908 VanDerWaalsContact C-N 3.29Å; Q906-T908 PolarHBondContact O-N 3.27Å; T908-T911 PolarHBondContact O-N 3.2Å; T908-L912 WeakPolarHBondContact O-CB 3.36Å; T908-L912 PolarHBondContact O-N 3.37Å; T908-K936 HydrophobicContact CG2-CB 3.94Å; T908-K936 HydrophobicContact CG2-CD 4.01Å; T908-T937 HydrophobicContact CG2-CG2 4.36Å |
| 909 | L | 90.8 | Very high | 87.2 | Confident | 2 Ų | 2 | 67.7 Ų | 67.7 | 1% | 0.01 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -65.4 | -38.8 | 178.4 | -68.3 | 173.1 | 0 | 0 | 0 | 112.2 | I899 V905 Q906 L912 M913 Y1038 I1041 V1042 L1045 | I899-L909 HydrophobicContact CG2-CD1 3.76Å; V905-L909 HydrophobicContact CG1-CD1 3.92Å; V905-L909 HydrophobicContact CG1-CG 4.29Å; V905-L909 VanDerWaalsContact O-CG 3.3Å; V905-L909 WeakPolarHBondContact O-CG 3.39Å; V905-L909 PolarHBondContact O-N 2.85Å; Q906-L909 PolarHBondContact O-N 2.89Å; L909-L912 PolarHBondContact O-N 2.99Å; L909-M913 VanDerWaalsContact O-CB 3.31Å; L909-M913 WeakPolarHBondContact O-CB 3.31Å; L909-M913 PolarHBondContact O-N 3.15Å; L909-Y1038 HydrophobicContact CB-CD1 4.2Å; L909-Y1038 HydrophobicContact CB-CG 4.23Å; L909-Y1038 HydrophobicContact CD1-CG 4.35Å; L909-I1041 HydrophobicContact CD2-CG2 4.35Å; L909-V1042 HydrophobicContact CD1-CG2 3.56Å; L909-V1042 HydrophobicContact CD2-CG2 3.81Å; L909-V1042 HydrophobicContact CG-CG2 4.36Å; L909-L1045 HydrophobicContact CD2-CD2 4.33Å |
| 910 | K | 90.3 | Very high | 86.7 | Confident | 114 Ų | 114 | 76.9 Ų | 76.9 | 50% | 0.496 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -65.1 | -43.6 | 175.4 | -173.4 | 178.2 | -179.8 | -178.1 | 0 | 111.6 | Q906 M913 N914 Y1038 | Q906-K910 WeakPolarHBondContact O-CB 3.23Å; Q906-K910 PolarHBondContact O-N 3.02Å; K910-M913 PolarHBondContact O-N 3.2Å; K910-N914 PolarHBondContact O-N 3.2Å; K910-Y1038 HydrophobicContact CB-CE1 4.48Å |
| 911 | T | 89.4 | Confident | 86.5 | Confident | 97 Ų | 97 | 77.4 Ų | 77.4 | 60% | 0.595 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -62.2 | -44.7 | 176.1 | -56.4 | 0 | 0 | 0 | 0 | 111 | D907 T908 N914 A915 | D907-T911 WeakPolarHBondContact O-CB 3.12Å; D907-T911 PolarHBondContact O-N 2.92Å; D907-T911 PolarHBondContact O-OG1 3.4Å; T908-T911 PolarHBondContact O-N 3.2Å; T911-N914 PolarHBondContact O-N 3.01Å; T911-A915 PolarHBondContact O-N 3.5Å; T911-A915 VanDerWaalsContact O-N 3.11Å |
| 912 | L | 88.5 | Confident | 86.3 | Confident | 7 Ų | 7 | 72.6 Ų | 72.6 | 4% | 0.037 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -63 | -46.7 | 176.8 | -176 | 65.7 | 0 | 0 | 0 | 111.3 | T908 L909 N914 A915 V916 I929 Y930 A933 I1041 L1045 | T908-L912 WeakPolarHBondContact O-CB 3.36Å; T908-L912 PolarHBondContact O-N 3.37Å; L909-L912 PolarHBondContact O-N 2.99Å; L912-N914 VanDerWaalsContact C-N 3.27Å; L912-N914 PolarHBondContact O-N 3.46Å; L912-A915 PolarHBondContact O-N 2.93Å; L912-V916 HydrophobicContact CD1-CG1 4.15Å; L912-V916 HydrophobicContact CG-CG1 4.46Å; L912-V916 WeakPolarHBondContact O-CG2 3.5Å; L912-V916 PolarHBondContact O-N 3.13Å; L912-I929 HydrophobicContact CD1-CG2 3.78Å; L912-Y930 HydrophobicContact CD1-CD1 4.14Å; L912-Y930 HydrophobicContact CD1-CE1 4.32Å; L912-A933 HydrophobicContact CD1-CB 4.08Å; L912-A933 HydrophobicContact CD2-CB 3.93Å; L912-A933 HydrophobicContact CG-CB 4.44Å; L912-I1041 HydrophobicContact CB-CD1 4.09Å; L912-I1041 HydrophobicContact CD2-CD1 3.8Å; L912-I1041 HydrophobicContact CD2-CG1 3.88Å; L912-I1041 HydrophobicContact CG-CD1 3.77Å; L912-I1041 HydrophobicContact CG-CG1 4.39Å; L912-L1045 HydrophobicContact CD2-CD1 4.17Å; L912-L1045 HydrophobicContact CD2-CD2 4.28Å |
| 913 | M | 87.7 | Confident | 86.1 | Confident | 64 Ų | 64 | 70 Ų | 70 | 32% | 0.315 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -58.1 | -38.5 | 178.8 | -170.2 | 69.8 | -177.4 | 0 | 0 | 112.3 | L909 K910 S917 I1041 | L909-M913 VanDerWaalsContact O-CB 3.31Å; L909-M913 WeakPolarHBondContact O-CB 3.31Å; L909-M913 PolarHBondContact O-N 3.15Å; K910-M913 PolarHBondContact O-N 3.2Å; M913-S917 WeakPolarHBondContact O-CB 3.48Å; M913-S917 PolarHBondContact O-N 3.36Å; M913-I1041 HydrophobicContact CB-CD1 3.84Å; M913-I1041 HydrophobicContact CG-CD1 4.47Å; M913-I1041 HydrophobicContact SD-CB 4.49Å; M913-I1041 HydrophobicContact SD-CD1 3.84Å |
| 914 | N | 87.8 | Confident | 85.7 | Confident | 114 Ų | 114 | 64.3 Ų | 64.3 | 61% | 0.61 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -68.6 | -37.1 | 175.2 | -70.9 | -14.6 | 0 | 0 | 0 | 112.3 | K910 T911 L912 | K910-N914 PolarHBondContact O-N 3.2Å; T911-N914 PolarHBondContact O-N 3.01Å; L912-N914 VanDerWaalsContact C-N 3.27Å; L912-N914 PolarHBondContact O-N 3.46Å |
| 915 | A | 85 | Confident | 85.4 | Confident | 47 Ų | 47 | 65.5 Ų | 65.5 | 39% | 0.388 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -72.8 | -26.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | T911 L912 I929 | T911-A915 PolarHBondContact O-N 3.5Å; T911-A915 VanDerWaalsContact O-N 3.11Å; L912-A915 PolarHBondContact O-N 2.93Å; A915-I929 HydrophobicContact CB-CG2 4.25Å |
| 916 | V | 86.2 | Confident | 85.1 | Confident | 1 Ų | 1 | 65.1 Ų | 65.1 | 1% | 0.006 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -96.3 | -4.2 | -179.9 | -57.9 | 0 | 0 | 0 | 0 | 113.2 | L912 P918 L919 Y930 I1041 L1098 Q1101 | L912-V916 HydrophobicContact CD1-CG1 4.15Å; L912-V916 HydrophobicContact CG-CG1 4.46Å; L912-V916 WeakPolarHBondContact O-CG2 3.5Å; L912-V916 PolarHBondContact O-N 3.13Å; V916-P918 CarbonylContact O-C 3.55Å; V916-P918 VanDerWaalsContact O-C 3.24Å; V916-L919 HydrophobicContact CG2-CD2 4.44Å; V916-Y930 HydrophobicContact CG1-CE1 3.78Å; V916-I1041 HydrophobicContact CG2-CD1 4.25Å; V916-L1098 HydrophobicContact CB-CD2 4.27Å; V916-L1098 HydrophobicContact CG2-CD2 3.79Å; V916-Q1101 PolarHBondContact O-NE2 2.91Å; V916-Q1101 PolarHBondContact O-OE1 2.95Å |
| 917 | S | 84.4 | Confident | 84.6 | Confident | 77 Ų | 77 | 65.1 Ų | 65.1 | 54% | 0.538 | 37% | 0.367 | S | S | . | . | trans | -90.2 | 129.6 | 177.1 | -170.5 | 0 | 0 | 0 | 0 | 110.8 | M913 | M913-S917 WeakPolarHBondContact O-CB 3.48Å; M913-S917 PolarHBondContact O-N 3.36Å | ||
| 918 | P | 84.3 | Confident | 84.3 | Confident | 84 Ų | 84 | 68.9 Ų | 68.9 | 55% | 0.545 | 38% | 0.38 | S | S | . | . | S | Bend | cis | -80.5 | 145.9 | 4.6 | 31.7 | -33.8 | 0 | 0 | 0 | 113.9 | V916 K920 S921 Q1101 | V916-P918 CarbonylContact O-C 3.55Å; V916-P918 VanDerWaalsContact O-C 3.24Å; P918-K920 PolarHBondContact O-N 2.78Å; P918-S921 PolarHBondContact O-N 3.15Å; P918-S921 VanDerWaalsContact O-N 3.08Å; P918-S921 PolarHBondContact O-OG 3.23Å; P918-Q1101 PolarHBondContact O-NE2 3.06Å; P918-Q1101 VanDerWaalsContact O-NE2 3.15Å |
| 919 | L | 81.1 | Confident | 84.2 | Confident | 44 Ų | 44 | 70.3 Ų | 70.3 | 23% | 0.23 | 39% | 0.386 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -11.1 | -173.1 | -63.3 | 175.3 | 0 | 0 | 0 | 116 | V916 Q1094 A1097 L1098 | V916-L919 HydrophobicContact CG2-CD2 4.44Å; L919-Q1094 HydrophobicContact CD1-CG 4.39Å; L919-A1097 HydrophobicContact CB-CB 4.26Å; L919-A1097 HydrophobicContact CD1-CB 4.31Å; L919-L1098 HydrophobicContact CD2-CD2 3.38Å; L919-L1098 HydrophobicContact CD2-CG 3.83Å |
| 920 | K | 76.1 | Confident | 84.1 | Confident | 195 Ų | 195 | 70.4 Ų | 70.4 | 85% | 0.848 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.8 | -2 | 179.6 | -66.5 | -170.5 | 177.2 | -172.4 | 0 | 113.6 | P918 | P918-K920 PolarHBondContact O-N 2.78Š|
| 921 | S | 81.9 | Confident | 83.9 | Confident | 51 Ų | 51 | 69.9 Ų | 69.9 | 36% | 0.357 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -93.3 | 156.4 | 178.6 | 60.9 | 0 | 0 | 0 | 0 | 112.5 | P918 Q1101 | P918-S921 PolarHBondContact O-N 3.15Å; P918-S921 VanDerWaalsContact O-N 3.08Å; P918-S921 PolarHBondContact O-OG 3.23Å; S921-Q1101 WeakPolarHBondContact O-CG 2.99Å; S921-Q1101 PolarHBondContact O-NE2 3.36Å |
| 922 | I | 82.2 | Confident | 83.8 | Confident | 97 Ų | 97 | 67.9 Ų | 67.9 | 50% | 0.497 | 37% | 0.374 | S | S | . | . | trans | -73.4 | 133 | 172.9 | -64 | 176.3 | 0 | 0 | 0 | 110 | E1108 | I922-E1108 HydrophobicContact CD1-CB 4.37Å; I922-E1108 HydrophobicContact CD1-CG 4.02Å; I922-E1108 HydrophobicContact CG2-CB 4.45Å; I922-E1108 HydrophobicContact CG2-CG 4.38Å | ||
| 923 | V | 84.5 | Confident | 83.8 | Confident | 7 Ų | 7 | 67.8 Ų | 67.8 | 4% | 0.042 | 38% | 0.375 | C | S | . | . | trans | -90.6 | 113.6 | 178.4 | -179.4 | 0 | 0 | 0 | 0 | 109.9 | S926 I929 Q1101 S1105 Q1109 | V923-S926 WeakPolarHBondContact O-CB 3.3Å; V923-S926 PolarHBondContact O-N 2.95Å; V923-I929 HydrophobicContact CG1-CD1 3.67Å; V923-Q1101 HydrophobicContact CG2-CG 3.95Å; V923-S1105 PolarHBondContact N-OG 3.07Å; V923-Q1109 PolarHBondContact O-NE2 3.22Å | ||
| 924 | A | 77.9 | Confident | 83.9 | Confident | 77 Ų | 77 | 65.6 Ų | 65.6 | 64% | 0.636 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | 134.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.1 | S926 I929 | A924-S926 PolarHBondContact O-N 3.26Å; A924-I929 VanDerWaalsContact O-CD1 3.31Å; A924-I929 WeakPolarHBondContact O-CD1 3.44Å |
| 925 | N | 80.4 | Confident | 84 | Confident | 117 Ų | 117 | 63.6 Ų | 63.6 | 63% | 0.626 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 34.7 | -174.2 | -60.8 | -43.2 | 0 | 0 | 0 | 114 | N927 K928 I929 | N925-N927 VanDerWaalsContact C-N 3.26Å; N925-N927 PolarHBondContact O-N 3.48Å; N925-N927 VanDerWaalsContact O-N 3.15Å; N925-K928 PolarHBondContact O-N 3.3Å; N925-I929 PolarHBondContact O-N 2.96Å |
| 926 | S | 81.3 | Confident | 84.2 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -41.5 | -47.9 | 178 | 62.8 | 0 | 0 | 0 | 0 | 113.6 | V923 A924 K928 I929 Y930 S1105 Q1109 | V923-S926 WeakPolarHBondContact O-CB 3.3Å; V923-S926 PolarHBondContact O-N 2.95Å; A924-S926 PolarHBondContact O-N 3.26Å; S926-K928 PolarHBondContact O-N 3.36Å; S926-I929 PolarHBondContact O-N 3.13Å; S926-Y930 WeakPolarHBondContact O-CD2 3.37Å; S926-Y930 PolarHBondContact O-N 3.34Å; S926-S1105 PolarHBondContact OG-O 3.43Å; S926-Q1109 VanDerWaalsContact OG-CD 3.23Å; S926-Q1109 PolarHBondContact OG-NE2 3.47Å; S926-Q1109 PolarHBondContact OG-OE1 3.46Å |
| 927 | N | 78.7 | Confident | 84.3 | Confident | 62 Ų | 62 | 68 Ų | 68 | 33% | 0.332 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -53.6 | -51.6 | 178.3 | -78.3 | -43.1 | 0 | 0 | 0 | 111.7 | N925 I929 F931 Q1109 | N925-N927 VanDerWaalsContact C-N 3.26Å; N925-N927 PolarHBondContact O-N 3.48Å; N925-N927 VanDerWaalsContact O-N 3.15Å; N927-I929 PolarHBondContact O-N 3.33Å; N927-F931 HydrophobicContact CB-CD2 4.33Å; N927-F931 VanDerWaalsContact O-CB 3.3Å; N927-F931 WeakPolarHBondContact O-CB 3.39Å; N927-F931 WeakPolarHBondContact O-CD2 3.39Å; N927-F931 PolarHBondContact O-N 3.48Å; N927-Q1109 PolarHBondContact ND2-OE1 2.94Å; N927-Q1109 VanDerWaalsContact ND2-OE1 3.14Å |
| 928 | K | 84.1 | Confident | 84.4 | Confident | 166 Ų | 166 | 68.8 Ų | 68.8 | 72% | 0.722 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -64.1 | -39.9 | -179.3 | -171.3 | 178 | -179 | 179.4 | 0 | 112.3 | N925 S926 S932 | N925-K928 PolarHBondContact O-N 3.3Å; S926-K928 PolarHBondContact O-N 3.36Å; K928-S932 WeakPolarHBondContact O-CB 3.34Å; K928-S932 PolarHBondContact O-N 2.97Å |
| 929 | I | 86.3 | Confident | 84.5 | Confident | 54 Ų | 54 | 74.7 Ų | 74.7 | 28% | 0.277 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -67.2 | -50.1 | -178 | -66.2 | 172.2 | 0 | 0 | 0 | 110.5 | L912 A915 V923 A924 N925 S926 N927 A933 | L912-I929 HydrophobicContact CD1-CG2 3.78Å; A915-I929 HydrophobicContact CB-CG2 4.25Å; V923-I929 HydrophobicContact CG1-CD1 3.67Å; A924-I929 VanDerWaalsContact O-CD1 3.31Å; A924-I929 WeakPolarHBondContact O-CD1 3.44Å; N925-I929 PolarHBondContact O-N 2.96Å; S926-I929 PolarHBondContact O-N 3.13Å; N927-I929 PolarHBondContact O-N 3.33Å; I929-A933 PolarHBondContact O-N 3.06Å; I929-A933 VanDerWaalsContact O-N 3.15Å |
| 930 | Y | 88.3 | Confident | 84.9 | Confident | 4 Ų | 4 | 72.9 Ų | 72.9 | 2% | 0.016 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -69 | -47.1 | -179.1 | -63.7 | -50.8 | 0 | 0 | 0 | 112.1 | L912 V916 S926 S932 A933 I934 F1044 I1048 F1102 | L912-Y930 HydrophobicContact CD1-CD1 4.14Å; L912-Y930 HydrophobicContact CD1-CE1 4.32Å; V916-Y930 HydrophobicContact CG1-CE1 3.78Å; S926-Y930 WeakPolarHBondContact O-CD2 3.37Å; S926-Y930 PolarHBondContact O-N 3.34Å; Y930-S932 VanDerWaalsContact C-N 3.31Å; Y930-S932 PolarHBondContact O-N 3.26Å; Y930-A933 PolarHBondContact O-N 2.98Å; Y930-A933 VanDerWaalsContact O-N 3.1Å; Y930-I934 WeakPolarHBondContact O-CG1 3.35Å; Y930-I934 PolarHBondContact O-N 2.94Å; Y930-F1044 AromaticContact CD1-CE1 3.94Å; Y930-F1044 HydrophobicContact CD1-CE1 3.94Å; Y930-F1044 HydrophobicContact CD1-CZ 4.13Å; Y930-F1044 AromaticContact CE1-CE1 3.63Å; Y930-F1044 HydrophobicContact CE1-CE1 3.63Å; Y930-F1044 AromaticContact CE1-CZ 3.75Å; Y930-F1044 HydrophobicContact CE1-CZ 3.75Å; Y930-I1048 HydrophobicContact CD1-CD1 4.17Å; Y930-I1048 HydrophobicContact CG-CD1 4.15Å; Y930-F1102 AromaticContact CD2-CD2 3.62Å; Y930-F1102 HydrophobicContact CD2-CD2 3.62Å; Y930-F1102 HydrophobicContact CD2-CE2 4.08Å; Y930-F1102 HydrophobicContact CE2-CB 4.41Å; Y930-F1102 AromaticContact CE2-CD2 3.68Å; Y930-F1102 HydrophobicContact CE2-CD2 3.68Å; Y930-F1102 HydrophobicContact CG-CD2 4.36Å |
| 931 | F | 85.6 | Confident | 85.6 | Confident | 103 Ų | 103 | 63.8 Ų | 63.8 | 45% | 0.452 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.4 | -37.2 | 177.1 | -79.4 | -67.1 | 0 | 0 | 0 | 112.4 | N927 A933 I934 A935 | N927-F931 HydrophobicContact CB-CD2 4.33Å; N927-F931 VanDerWaalsContact O-CB 3.3Å; N927-F931 WeakPolarHBondContact O-CB 3.39Å; N927-F931 WeakPolarHBondContact O-CD2 3.39Å; N927-F931 PolarHBondContact O-N 3.48Å; F931-A933 VanDerWaalsContact C-N 3.31Å; F931-A933 PolarHBondContact O-N 3.35Å; F931-I934 HydrophobicContact CD1-CD1 4.46Å; F931-I934 PolarHBondContact O-N 3.45Å; F931-A935 WeakPolarHBondContact O-CB 3.44Å; F931-A935 PolarHBondContact O-N 2.88Å |
| 932 | S | 88.3 | Confident | 85.9 | Confident | 54 Ų | 54 | 66.5 Ų | 66.5 | 38% | 0.378 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65 | -35.3 | 174.9 | -179.8 | 0 | 0 | 0 | 0 | 112.5 | K928 Y930 K936 | K928-S932 WeakPolarHBondContact O-CB 3.34Å; K928-S932 PolarHBondContact O-N 2.97Å; Y930-S932 VanDerWaalsContact C-N 3.31Å; Y930-S932 PolarHBondContact O-N 3.26Å; S932-K936 WeakPolarHBondContact O-CG 3.06Å; S932-K936 PolarHBondContact O-N 3.43Å |
| 933 | A | 88.4 | Confident | 86.3 | Confident | 6 Ų | 6 | 64.3 Ų | 64.3 | 5% | 0.05 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -71.3 | -45.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111 | L912 I929 Y930 F931 A935 K936 T937 L1045 | L912-A933 HydrophobicContact CD1-CB 4.08Å; L912-A933 HydrophobicContact CD2-CB 3.93Å; L912-A933 HydrophobicContact CG-CB 4.44Å; I929-A933 PolarHBondContact O-N 3.06Å; I929-A933 VanDerWaalsContact O-N 3.15Å; Y930-A933 PolarHBondContact O-N 2.98Å; Y930-A933 VanDerWaalsContact O-N 3.1Å; F931-A933 VanDerWaalsContact C-N 3.31Å; F931-A933 PolarHBondContact O-N 3.35Å; A933-A935 VanDerWaalsContact C-N 3.33Å; A933-A935 PolarHBondContact O-N 3.14Å; A933-K936 PolarHBondContact O-N 3.34Å; A933-K936 VanDerWaalsContact O-N 3.16Å; A933-T937 PolarHBondContact O-N 3.4Å; A933-T937 VanDerWaalsContact O-N 3.13Å; A933-T937 PolarHBondContact O-OG1 3.31Å; A933-T937 VanDerWaalsContact O-OG1 3.05Å; A933-L1045 HydrophobicContact CB-CD1 3.87Å; A933-L1045 HydrophobicContact CB-CD2 4.23Å |
| 934 | I | 90.1 | Very high | 86.6 | Confident | 17 Ų | 17 | 64 Ų | 64 | 9% | 0.087 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -56.6 | -46.9 | 176.6 | -65.6 | 166.9 | 0 | 0 | 0 | 110.8 | Y930 F931 K936 T937 Q938 L1045 I1048 A1049 | Y930-I934 WeakPolarHBondContact O-CG1 3.35Å; Y930-I934 PolarHBondContact O-N 2.94Å; F931-I934 HydrophobicContact CD1-CD1 4.46Å; F931-I934 PolarHBondContact O-N 3.45Å; I934-K936 VanDerWaalsContact C-N 3.28Å; I934-K936 PolarHBondContact O-N 2.94Å; I934-T937 CarbonylContact O-C 3.07Å; I934-T937 PolarHBondContact O-N 2.97Å; I934-T937 VanDerWaalsContact O-N 3.13Å; I934-T937 PolarHBondContact O-OG1 2.97Å; I934-Q938 PolarHBondContact O-N 3.33Å; I934-L1045 HydrophobicContact CG1-CD1 3.56Å; I934-L1045 HydrophobicContact CG1-CG 4.34Å; I934-I1048 HydrophobicContact CD1-CD1 3.98Å; I934-I1048 HydrophobicContact CD1-CG1 3.88Å; I934-I1048 HydrophobicContact CG1-CD1 4.39Å; I934-I1048 HydrophobicContact CG1-CG1 4.33Å; I934-A1049 HydrophobicContact CD1-CB 4.44Å; I934-A1049 HydrophobicContact CG1-CB 4.23Å; I934-A1049 HydrophobicContact CG2-CB 3.79Å |
| 935 | A | 88.6 | Confident | 87.3 | Confident | 73 Ų | 73 | 60.8 Ų | 60.8 | 60% | 0.603 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -60.5 | -37.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | F931 A933 | F931-A935 WeakPolarHBondContact O-CB 3.44Å; F931-A935 PolarHBondContact O-N 2.88Å; A933-A935 VanDerWaalsContact C-N 3.33Å; A933-A935 PolarHBondContact O-N 3.14Å |
| 936 | K | 89 | Confident | 87.9 | Confident | 140 Ų | 140 | 58.4 Ų | 58.4 | 61% | 0.609 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -75.3 | -22.4 | 178.2 | -72.5 | 176.7 | -180 | -179.6 | 0 | 113.2 | T908 S932 A933 I934 | T908-K936 HydrophobicContact CG2-CB 3.94Å; T908-K936 HydrophobicContact CG2-CD 4.01Å; S932-K936 WeakPolarHBondContact O-CG 3.06Å; S932-K936 PolarHBondContact O-N 3.43Å; A933-K936 PolarHBondContact O-N 3.34Å; A933-K936 VanDerWaalsContact O-N 3.16Å; I934-K936 VanDerWaalsContact C-N 3.28Å; I934-K936 PolarHBondContact O-N 2.94Å |
| 937 | T | 89.2 | Confident | 88.4 | Confident | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.006 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -107.4 | 6.6 | -178.8 | 59.1 | 0 | 0 | 0 | 0 | 113.9 | T908 A933 I934 K939 I940 W941 L1045 | T908-T937 HydrophobicContact CG2-CG2 4.36Å; A933-T937 PolarHBondContact O-N 3.4Å; A933-T937 VanDerWaalsContact O-N 3.13Å; A933-T937 PolarHBondContact O-OG1 3.31Å; A933-T937 VanDerWaalsContact O-OG1 3.05Å; I934-T937 CarbonylContact O-C 3.07Å; I934-T937 PolarHBondContact O-N 2.97Å; I934-T937 VanDerWaalsContact O-N 3.13Å; I934-T937 PolarHBondContact O-OG1 2.97Å; T937-K939 PolarHBondContact O-N 3.46Å; T937-I940 HydrophobicContact CG2-CD1 4.3Å; T937-I940 WeakPolarHBondContact O-CB 3.33Å; T937-I940 WeakPolarHBondContact O-CG1 3.47Å; T937-I940 PolarHBondContact O-N 3.39Å; T937-W941 HydrophobicContact CG2-CZ2 4.48Å; T937-W941 WeakPolarHBondContact OG1-CZ2 3.35Å; T937-W941 PolarHBondContact OG1-NE1 3.25Å; T937-L1045 HydrophobicContact CG2-CD2 3.9Å; T937-L1045 WeakPolarHBondContact OG1-CD2 3.42Å |
| 938 | Q | 87 | Confident | 89.2 | Confident | 93 Ų | 93 | 56.2 Ų | 56.2 | 44% | 0.435 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -55 | -33.4 | -172.4 | -170.8 | 64.6 | 13.3 | 0 | 0 | 114.3 | I934 I940 W941 | I934-Q938 PolarHBondContact O-N 3.33Å; Q938-I940 PolarHBondContact O-N 3.45Å; Q938-W941 PolarHBondContact O-N 3.22Å |
| 939 | K | 86.4 | Confident | 89.7 | Confident | 207 Ų | 207 | 48.8 Ų | 48.8 | 90% | 0.9 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -64.1 | -19.6 | -179.2 | -63.8 | -177.1 | -178.8 | 178.8 | 0 | 113.6 | T937 | T937-K939 PolarHBondContact O-N 3.46Š|
| 940 | I | 88.6 | Confident | 90.1 | Very high | 6 Ų | 6 | 49.8 Ų | 49.8 | 3% | 0.031 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -82.2 | -33.6 | -176.8 | -52.5 | 173.6 | 0 | 0 | 0 | 110.5 | I898 I899 V905 T937 Q938 T942 Y944 | I898-I940 HydrophobicContact CG2-CG1 4.02Å; I898-I940 HydrophobicContact CG2-CG2 4.27Å; I899-I940 HydrophobicContact CD1-CG2 4.17Å; I899-I940 HydrophobicContact CG1-CD1 4.25Å; I899-I940 HydrophobicContact CG1-CG2 4.15Å; V905-I940 HydrophobicContact CB-CD1 4.49Å; V905-I940 HydrophobicContact CG1-CD1 3.7Å; V905-I940 HydrophobicContact CG2-CD1 3.91Å; T937-I940 HydrophobicContact CG2-CD1 4.3Å; T937-I940 WeakPolarHBondContact O-CB 3.33Å; T937-I940 WeakPolarHBondContact O-CG1 3.47Å; T937-I940 PolarHBondContact O-N 3.39Å; Q938-I940 PolarHBondContact O-N 3.45Å; I940-T942 PolarHBondContact O-N 3.23Å; I940-Y944 HydrophobicContact CG2-CD2 4.23Å; I940-Y944 WeakPolarHBondContact O-CB 3.3Å; I940-Y944 PolarHBondContact O-N 2.94Å |
| 941 | W | 90.6 | Very high | 90.5 | Very high | 5 Ų | 5 | 49.8 Ų | 49.8 | 2% | 0.019 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -72.1 | -24.8 | -162 | -55.7 | 147.9 | 0 | 0 | 0 | 115.6 | T937 Q938 Y944 L945 V1042 L1045 F1046 A1049 | T937-W941 HydrophobicContact CG2-CZ2 4.48Å; T937-W941 WeakPolarHBondContact OG1-CZ2 3.35Å; T937-W941 PolarHBondContact OG1-NE1 3.25Å; Q938-W941 PolarHBondContact O-N 3.22Å; W941-Y944 HydrophobicContact CE3-CG 4.34Å; W941-Y944 HydrophobicContact CZ3-CD2 4.32Å; W941-Y944 HydrophobicContact CZ3-CG 4.49Å; W941-L945 WeakPolarHBondContact O-CB 3.1Å; W941-L945 PolarHBondContact O-N 3.03Å; W941-V1042 HydrophobicContact CH2-CG1 4.19Å; W941-V1042 HydrophobicContact CZ3-CG1 4.16Å; W941-L1045 HydrophobicContact CH2-CB 4.38Å; W941-L1045 HydrophobicContact CH2-CD2 4.3Å; W941-L1045 HydrophobicContact CH2-CG 4.36Å; W941-L1045 HydrophobicContact CZ2-CB 4.19Å; W941-L1045 HydrophobicContact CZ2-CD2 3.78Å; W941-L1045 HydrophobicContact CZ2-CG 3.73Å; W941-F1046 HydrophobicContact CD2-CD2 4.25Å; W941-F1046 HydrophobicContact CE3-CB 4.08Å; W941-F1046 AromaticContact CE3-CD2 3.76Å; W941-F1046 HydrophobicContact CE3-CD2 3.76Å; W941-F1046 HydrophobicContact CE3-CG 4.4Å; W941-F1046 HydrophobicContact CH2-CB 4.19Å; W941-F1046 HydrophobicContact CZ3-CB 3.83Å; W941-F1046 HydrophobicContact CZ3-CD2 4.32Å; W941-A1049 HydrophobicContact CG-CB 4.36Å |
| 942 | T | 89.6 | Confident | 90.9 | Very high | 108 Ų | 108 | 44.9 Ų | 44.9 | 66% | 0.663 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -66.3 | -52.2 | 178.9 | -50.8 | 0 | 0 | 0 | 0 | 111.8 | I940 Y944 L945 E946 | I940-T942 PolarHBondContact O-N 3.23Å; T942-Y944 VanDerWaalsContact C-N 3.33Å; T942-L945 PolarHBondContact O-N 3.13Å; T942-E946 PolarHBondContact O-N 3.11Å; T942-E946 VanDerWaalsContact O-N 3.12Å |
| 943 | A | 89.1 | Confident | 91.3 | Very high | 50 Ų | 50 | 42.9 Ų | 42.9 | 41% | 0.413 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -68.6 | -35.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | A947 | A943-A947 PolarHBondContact O-N 3.49Å; A943-A947 VanDerWaalsContact O-N 3.17Å |
| 944 | Y | 92.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65 | -46.4 | 176.3 | -153.4 | -75.1 | 0 | 0 | 0 | 111.7 | F891 M894 F895 I899 I940 W941 T942 E946 A947 I948 V1042 N1043 F1046 | F891-Y944 HydrophobicContact CE2-CD1 4.06Å; F891-Y944 AromaticContact CE2-CD2 3.78Å; F891-Y944 HydrophobicContact CE2-CD2 3.78Å; F891-Y944 AromaticContact CE2-CE1 3.67Å; F891-Y944 HydrophobicContact CE2-CE1 3.67Å; F891-Y944 AromaticContact CE2-CE2 3.37Å; F891-Y944 HydrophobicContact CE2-CE2 3.37Å; F891-Y944 HydrophobicContact CE2-CG 4.13Å; F891-Y944 AromaticContact CE2-CZ 3.33Å; F891-Y944 HydrophobicContact CZ-CD2 4.34Å; F891-Y944 HydrophobicContact CZ-CE1 4.1Å; F891-Y944 AromaticContact CZ-CE2 3.49Å; F891-Y944 HydrophobicContact CZ-CE2 3.49Å; F891-Y944 VanDerWaalsContact CZ-CE2 3.49Å; F891-Y944 AromaticContact CZ-CZ 3.36Å; F891-Y944 VanDerWaalsContact CZ-OH 3.29Å; F891-Y944 WeakPolarHBondContact CZ-OH 3.3Å; M894-Y944 HydrophobicContact CE-CD2 3.93Å; M894-Y944 HydrophobicContact CE-CG 4.29Å; M894-Y944 HydrophobicContact SD-CD2 4.22Å; F895-Y944 HydrophobicContact CD2-CE2 4.32Å; I899-Y944 HydrophobicContact CD1-CE2 4.17Å; I940-Y944 HydrophobicContact CG2-CD2 4.23Å; I940-Y944 WeakPolarHBondContact O-CB 3.3Å; I940-Y944 PolarHBondContact O-N 2.94Å; W941-Y944 HydrophobicContact CE3-CG 4.34Å; W941-Y944 HydrophobicContact CZ3-CD2 4.32Å; W941-Y944 HydrophobicContact CZ3-CG 4.49Å; T942-Y944 VanDerWaalsContact C-N 3.33Å; Y944-E946 PolarHBondContact O-N 2.82Å; Y944-A947 PolarHBondContact O-N 2.89Å; Y944-I948 HydrophobicContact CD1-CD1 4.46Å; Y944-I948 HydrophobicContact CD1-CG1 3.73Å; Y944-I948 HydrophobicContact CE1-CD1 4.1Å; Y944-I948 HydrophobicContact CE1-CG1 3.82Å; Y944-I948 VanDerWaalsContact O-CG1 3.3Å; Y944-I948 WeakPolarHBondContact O-CG1 3.49Å; Y944-I948 PolarHBondContact O-N 2.78Å; Y944-V1042 HydrophobicContact CE2-CG1 3.88Å; Y944-N1043 VanDerWaalsContact OH-CG 3.27Å; Y944-N1043 PolarHBondContact OH-OD1 3.37Å; Y944-F1046 HydrophobicContact CD1-CB 4.37Å; Y944-F1046 AromaticContact CD1-CD1 3.96Å; Y944-F1046 HydrophobicContact CD1-CD1 3.96Å; Y944-F1046 AromaticContact CD1-CD2 3.46Å; Y944-F1046 HydrophobicContact CD1-CD2 3.46Å; Y944-F1046 VanDerWaalsContact CD1-CD2 3.46Å; Y944-F1046 HydrophobicContact CD1-CE1 4.07Å; Y944-F1046 AromaticContact CD1-CE2 3.6Å; Y944-F1046 HydrophobicContact CD1-CE2 3.6Å; Y944-F1046 AromaticContact CD1-CG 3.63Å; Y944-F1046 HydrophobicContact CD1-CG 3.63Å; Y944-F1046 AromaticContact CD1-CZ 3.91Å; Y944-F1046 HydrophobicContact CD1-CZ 3.91Å; Y944-F1046 HydrophobicContact CE1-CB 4.17Å; Y944-F1046 AromaticContact CE1-CD1 3.84Å; Y944-F1046 HydrophobicContact CE1-CD1 3.84Å; Y944-F1046 HydrophobicContact CE1-CD2 4.06Å; Y944-F1046 HydrophobicContact CE1-CE1 4.23Å; Y944-F1046 HydrophobicContact CE1-CE2 4.45Å; Y944-F1046 AromaticContact CE1-CG 3.73Å; Y944-F1046 HydrophobicContact CE1-CG 3.73Å; Y944-F1046 HydrophobicContact CG-CD2 4.04Å; Y944-F1046 HydrophobicContact CG-CE2 4.27Å; Y944-F1046 HydrophobicContact CG-CG 4.49Å |
| 945 | L | 92.3 | Very high | 91.9 | Very high | 11 Ų | 11 | 42 Ų | 42 | 6% | 0.058 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.3 | -47.4 | 176.6 | 179 | 66.1 | 0 | 0 | 0 | 110.6 | W941 T942 A947 I948 M949 F1046 Q1050 P1070 V1071 L1076 | W941-L945 WeakPolarHBondContact O-CB 3.1Å; W941-L945 PolarHBondContact O-N 3.03Å; T942-L945 PolarHBondContact O-N 3.13Å; L945-A947 VanDerWaalsContact C-N 3.33Å; L945-A947 PolarHBondContact O-N 3.32Å; L945-I948 PolarHBondContact O-N 3.22Å; L945-M949 HydrophobicContact CD1-CG 3.65Å; L945-M949 HydrophobicContact CD1-SD 4.07Å; L945-M949 HydrophobicContact CG-CG 3.95Å; L945-M949 VanDerWaalsContact O-CB 3.31Å; L945-M949 WeakPolarHBondContact O-CB 3.47Å; L945-M949 WeakPolarHBondContact O-CG 3.26Å; L945-M949 PolarHBondContact O-N 3.2Å; L945-F1046 HydrophobicContact CB-CE2 3.99Å; L945-F1046 HydrophobicContact CB-CZ 4.25Å; L945-F1046 HydrophobicContact CD1-CE2 4.38Å; L945-F1046 HydrophobicContact CD1-CZ 3.97Å; L945-Q1050 HydrophobicContact CD1-CG 4.26Å; L945-P1070 HydrophobicContact CD2-CG 4.46Å; L945-V1071 HydrophobicContact CD1-CG2 4.43Å; L945-V1071 HydrophobicContact CD2-CG2 3.85Å; L945-L1076 HydrophobicContact CD1-CD1 3.95Å |
| 946 | E | 91.9 | Very high | 92.2 | Very high | 67 Ų | 67 | 38.6 Ų | 38.6 | 31% | 0.313 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -58.3 | -43.9 | 179.5 | -176.5 | 169 | 157.6 | 0 | 0 | 112.6 | K835 T942 Y944 K950 | K835-E946 VanDerWaalsContact NZ-CD 3.25Å; K835-E946 IonicContact NZ-OE1 2.81Å; K835-E946 IonicContact NZ-OE2 3.05Å; K835-E946 PolarHBondContact NZ-OE2 3.15Å; T942-E946 PolarHBondContact O-N 3.11Å; T942-E946 VanDerWaalsContact O-N 3.12Å; Y944-E946 PolarHBondContact O-N 2.82Å; E946-K950 HydrophobicContact CG-CD 4.15Å; E946-K950 WeakPolarHBondContact O-CB 3.32Å; E946-K950 VanDerWaalsContact O-CG 3.28Å; E946-K950 WeakPolarHBondContact O-CG 3.24Å; E946-K950 PolarHBondContact O-N 3.18Å; E946-K950 VanDerWaalsContact O-N 3.07Å; E946-K950 WeakPolarHBondContact OE1-CE 3.43Å; E946-K950 IonicContact OE1-NZ 2.78Å; E946-K950 PolarHBondContact OE1-NZ 3.47Å |
| 947 | A | 92.8 | Very high | 92.5 | Very high | 12 Ų | 12 | 32 Ų | 32 | 10% | 0.099 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.1 | -46.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | F891 A943 Y944 L945 K950 V951 | F891-A947 HydrophobicContact CD2-CB 4.22Å; A943-A947 PolarHBondContact O-N 3.49Å; A943-A947 VanDerWaalsContact O-N 3.17Å; Y944-A947 PolarHBondContact O-N 2.89Å; L945-A947 VanDerWaalsContact C-N 3.33Å; L945-A947 PolarHBondContact O-N 3.32Å; A947-K950 PolarHBondContact O-N 3.38Å; A947-V951 WeakPolarHBondContact O-CG2 3.41Å; A947-V951 PolarHBondContact O-N 3.17Å; A947-V951 VanDerWaalsContact O-N 3.1Å |
| 948 | I | 94.9 | Very high | 92.9 | Very high | 4 Ų | 4 | 32 Ų | 32 | 2% | 0.021 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.5 | -45.7 | 179.8 | -66.7 | -60.9 | 0 | 0 | 0 | 111.4 | F891 Y944 L945 K950 V951 G952 F1046 L1076 G1079 L1080 L1083 | F891-I948 HydrophobicContact CE2-CD1 4.38Å; Y944-I948 HydrophobicContact CD1-CD1 4.46Å; Y944-I948 HydrophobicContact CD1-CG1 3.73Å; Y944-I948 HydrophobicContact CE1-CD1 4.1Å; Y944-I948 HydrophobicContact CE1-CG1 3.82Å; Y944-I948 VanDerWaalsContact O-CG1 3.3Å; Y944-I948 WeakPolarHBondContact O-CG1 3.49Å; Y944-I948 PolarHBondContact O-N 2.78Å; L945-I948 PolarHBondContact O-N 3.22Å; I948-K950 VanDerWaalsContact C-N 3.33Å; I948-K950 PolarHBondContact O-N 3.37Å; I948-V951 PolarHBondContact O-N 2.94Å; I948-G952 PolarHBondContact O-N 3.49Å; I948-F1046 HydrophobicContact CB-CE1 4.36Å; I948-F1046 HydrophobicContact CB-CZ 4.26Å; I948-F1046 HydrophobicContact CG1-CE1 4.03Å; I948-F1046 HydrophobicContact CG1-CZ 4.13Å; I948-F1046 HydrophobicContact CG2-CE1 4.22Å; I948-F1046 HydrophobicContact CG2-CZ 4.46Å; I948-L1076 HydrophobicContact CG2-CD1 4.05Å; I948-G1079 WeakPolarHBondContact O-CA 3.48Å; I948-L1080 HydrophobicContact CD1-CD2 4.3Å; I948-L1080 HydrophobicContact CG2-CG 4.06Å; I948-L1083 HydrophobicContact CD1-CB 4.24Å; I948-L1083 HydrophobicContact CD1-CD2 3.55Å; I948-L1083 HydrophobicContact CD1-CG 4.47Å |
| 949 | M | 94.2 | Very high | 93.2 | Very high | 9 Ų | 9 | 29.4 Ų | 29.4 | 4% | 0.044 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.6 | -41.3 | 179.2 | -69.6 | -58.8 | -63.7 | 0 | 0 | 111.6 | P834 L945 G952 Q953 D1072 P1075 L1076 | P834-M949 HydrophobicContact CB-CB 4.4Å; P834-M949 HydrophobicContact CB-CE 3.3Å; P834-M949 HydrophobicContact CG-CB 4.43Å; P834-M949 HydrophobicContact CG-CE 4.1Å; L945-M949 HydrophobicContact CD1-CG 3.65Å; L945-M949 HydrophobicContact CD1-SD 4.07Å; L945-M949 HydrophobicContact CG-CG 3.95Å; L945-M949 VanDerWaalsContact O-CB 3.31Å; L945-M949 WeakPolarHBondContact O-CB 3.47Å; L945-M949 WeakPolarHBondContact O-CG 3.26Å; L945-M949 PolarHBondContact O-N 3.2Å; M949-G952 PolarHBondContact O-N 3.01Å; M949-Q953 WeakPolarHBondContact O-CB 3.41Å; M949-Q953 PolarHBondContact O-N 2.99Å; M949-D1072 HydrophobicContact CE-CB 3.67Å; M949-D1072 VanDerWaalsContact CE-N 3.26Å; M949-D1072 VanDerWaalsContact CE-O 3.3Å; M949-D1072 WeakPolarHBondContact CE-O 3.33Å; M949-P1075 HydrophobicContact CE-CB 3.61Å; M949-P1075 HydrophobicContact CE-CG 4.02Å; M949-P1075 HydrophobicContact SD-CB 4.2Å; M949-L1076 HydrophobicContact SD-CB 3.74Å; M949-L1076 HydrophobicContact SD-CD1 4.29Å |
| 950 | K | 94.9 | Very high | 93.5 | Very high | 75 Ų | 75 | 20.1 Ų | 20.1 | 33% | 0.326 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -61.7 | -46.5 | 174.7 | -78.4 | 173 | 173.4 | 173.3 | 0 | 112.2 | E946 A947 I948 G952 Q953 M954 | E946-K950 HydrophobicContact CG-CD 4.15Å; E946-K950 WeakPolarHBondContact O-CB 3.32Å; E946-K950 VanDerWaalsContact O-CG 3.28Å; E946-K950 WeakPolarHBondContact O-CG 3.24Å; E946-K950 PolarHBondContact O-N 3.18Å; E946-K950 VanDerWaalsContact O-N 3.07Å; E946-K950 WeakPolarHBondContact OE1-CE 3.43Å; E946-K950 IonicContact OE1-NZ 2.78Å; E946-K950 PolarHBondContact OE1-NZ 3.47Å; A947-K950 PolarHBondContact O-N 3.38Å; I948-K950 VanDerWaalsContact C-N 3.33Å; I948-K950 PolarHBondContact O-N 3.37Å; K950-G952 VanDerWaalsContact C-N 3.32Å; K950-G952 PolarHBondContact O-N 3.45Å; K950-Q953 PolarHBondContact O-N 3.21Å; K950-M954 WeakPolarHBondContact O-CE 3.43Å; K950-M954 WeakPolarHBondContact O-CG 3.36Å; K950-M954 PolarHBondContact O-N 2.86Å |
| 951 | V | 96.2 | Very high | 93.9 | Very high | 5 Ų | 5 | 20 Ų | 20 | 3% | 0.03 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -61.5 | -43.4 | 176.6 | 173.3 | 0 | 0 | 0 | 0 | 110.9 | I884 E887 L888 A947 I948 M954 Q955 T1082 | I884-V951 HydrophobicContact CG2-CG1 4.37Å; E887-V951 HydrophobicContact CB-CG2 4.08Å; L888-V951 HydrophobicContact CD2-CG2 4.31Å; A947-V951 WeakPolarHBondContact O-CG2 3.41Å; A947-V951 PolarHBondContact O-N 3.17Å; A947-V951 VanDerWaalsContact O-N 3.1Å; I948-V951 PolarHBondContact O-N 2.94Å; V951-M954 HydrophobicContact CG2-CE 4.48Å; V951-M954 PolarHBondContact O-N 3.3Å; V951-Q955 VanDerWaalsContact O-CG 3.27Å; V951-Q955 WeakPolarHBondContact O-CG 3.39Å; V951-Q955 PolarHBondContact O-N 3.15Å; V951-T1082 HydrophobicContact CG1-CG2 3.66Å |
| 952 | G | 95.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -62.4 | -46.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | I948 M949 K950 M954 Q955 I956 P1075 | I948-G952 PolarHBondContact O-N 3.49Å; M949-G952 PolarHBondContact O-N 3.01Å; K950-G952 VanDerWaalsContact C-N 3.32Å; K950-G952 PolarHBondContact O-N 3.45Å; G952-M954 VanDerWaalsContact C-N 3.34Å; G952-M954 PolarHBondContact O-N 2.92Å; G952-Q955 PolarHBondContact O-N 2.84Å; G952-Q955 VanDerWaalsContact O-N 3.14Å; G952-I956 WeakPolarHBondContact O-CG1 3.39Å; G952-I956 PolarHBondContact O-N 3.42Å; G952-P1075 VanDerWaalsContact CA-O 3.26Å; G952-P1075 WeakPolarHBondContact CA-O 3.31Å |
| 953 | Q | 95.5 | Very high | 94.2 | Very high | 11 Ų | 11 | 19.2 Ų | 19.2 | 5% | 0.051 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -55.2 | -50.8 | 175.3 | -178.9 | -167 | 5.4 | 0 | 0 | 110.7 | L829 T832 P834 M949 K950 Q955 I956 L957 | L829-Q953 HydrophobicContact CD2-CG 4.34Å; L829-Q953 PolarHBondContact O-NE2 3.15Å; T832-Q953 PolarHBondContact O-NE2 3.25Å; T832-Q953 PolarHBondContact OG1-NE2 2.98Å; P834-Q953 HydrophobicContact CG-CB 3.85Å; P834-Q953 HydrophobicContact CG-CG 4.14Å; M949-Q953 WeakPolarHBondContact O-CB 3.41Å; M949-Q953 PolarHBondContact O-N 2.99Å; K950-Q953 PolarHBondContact O-N 3.21Å; Q953-Q955 VanDerWaalsContact C-N 3.28Å; Q953-Q955 PolarHBondContact O-N 3.22Å; Q953-I956 PolarHBondContact O-N 3.27Å; Q953-L957 HydrophobicContact CG-CD1 4.49Å; Q953-L957 WeakPolarHBondContact O-CG 3.36Å; Q953-L957 PolarHBondContact O-N 3.03Å; Q953-L957 VanDerWaalsContact O-N 3.11Å |
| 954 | M | 96.6 | Very high | 94.5 | Very high | 5 Ų | 5 | 18 Ų | 18 | 3% | 0.025 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -59.9 | -39.3 | 178.4 | -69.1 | -173.4 | -78 | 0 | 0 | 111.5 | L829 L880 M883 I884 E887 K950 V951 G952 L957 R958 | L829-M954 HydrophobicContact CD2-CG 3.89Å; L880-M954 HydrophobicContact CD2-CB 4.16Å; L880-M954 HydrophobicContact CD2-CG 3.84Å; L880-M954 HydrophobicContact CD2-SD 4.27Å; M883-M954 HydrophobicContact CB-SD 3.53Å; M883-M954 VanDerWaalsContact CB-SD 3.53Å; I884-M954 HydrophobicContact CB-CE 4.42Å; I884-M954 HydrophobicContact CD1-CB 3.86Å; I884-M954 HydrophobicContact CG1-CB 3.74Å; I884-M954 HydrophobicContact CG1-CE 3.68Å; I884-M954 HydrophobicContact CG1-CG 4.41Å; I884-M954 HydrophobicContact CG1-SD 3.85Å; E887-M954 HydrophobicContact CB-CE 4.21Å; E887-M954 HydrophobicContact CG-CE 3.84Å; K950-M954 WeakPolarHBondContact O-CE 3.43Å; K950-M954 WeakPolarHBondContact O-CG 3.36Å; K950-M954 PolarHBondContact O-N 2.86Å; V951-M954 HydrophobicContact CG2-CE 4.48Å; V951-M954 PolarHBondContact O-N 3.3Å; G952-M954 VanDerWaalsContact C-N 3.34Å; G952-M954 PolarHBondContact O-N 2.92Å; M954-L957 PolarHBondContact O-N 3Å; M954-R958 VanDerWaalsContact O-CG 3.32Å; M954-R958 WeakPolarHBondContact O-CG 3.04Å; M954-R958 PolarHBondContact O-N 2.91Å |
| 955 | Q | 95.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -67.6 | -37.6 | 178.6 | -73.1 | -80.4 | 34.6 | 0 | 0 | 113.6 | I884 V951 G952 Q953 L957 R958 Q959 L1026 Y1030 T1082 | I884-Q955 HydrophobicContact CD1-CG 4.1Å; V951-Q955 VanDerWaalsContact O-CG 3.27Å; V951-Q955 WeakPolarHBondContact O-CG 3.39Å; V951-Q955 PolarHBondContact O-N 3.15Å; G952-Q955 PolarHBondContact O-N 2.84Å; G952-Q955 VanDerWaalsContact O-N 3.14Å; Q953-Q955 VanDerWaalsContact C-N 3.28Å; Q953-Q955 PolarHBondContact O-N 3.22Å; Q955-L957 VanDerWaalsContact C-N 3.33Å; Q955-R958 PolarHBondContact O-N 3.23Å; Q955-Q959 WeakPolarHBondContact O-CG 3.3Å; Q955-Q959 PolarHBondContact O-N 2.76Å; Q955-L1026 HydrophobicContact CB-CD2 3.99Å; Q955-L1026 HydrophobicContact CG-CD2 4.28Å; Q955-Y1030 PolarHBondContact NE2-OH 3.05Å; Q955-Y1030 PolarHBondContact OE1-OH 2.82Å; Q955-T1082 HydrophobicContact CG-CG2 4.32Å; Q955-T1082 WeakPolarHBondContact CG-OG1 3.44Å; Q955-T1082 VanDerWaalsContact NE2-CG2 3.26Å; Q955-T1082 PolarHBondContact NE2-OG1 3.44Å |
| 956 | I | 94.7 | Very high | 94.7 | Very high | 2 Ų | 2 | 19 Ų | 19 | 1% | 0.01 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -60.4 | -47.8 | 172.3 | -64.8 | 168.7 | 0 | 0 | 0 | 109.6 | H839 W846 G952 Q953 R958 Q959 Q960 P1074 P1075 L1078 | H839-I956 HydrophobicContact CB-CD1 4.35Å; W846-I956 HydrophobicContact CH2-CG2 4.05Å; W846-I956 HydrophobicContact CZ2-CG2 3.59Å; G952-I956 WeakPolarHBondContact O-CG1 3.39Å; G952-I956 PolarHBondContact O-N 3.42Å; Q953-I956 PolarHBondContact O-N 3.27Å; I956-R958 VanDerWaalsContact C-N 3.33Å; I956-R958 PolarHBondContact O-N 2.87Å; I956-Q959 WeakPolarHBondContact O-CB 3.39Å; I956-Q959 PolarHBondContact O-N 3.2Å; I956-Q959 VanDerWaalsContact O-N 3.14Å; I956-Q960 HydrophobicContact CG2-CG 4.47Å; I956-Q960 WeakPolarHBondContact O-CG 3.41Å; I956-Q960 PolarHBondContact O-N 2.93Å; I956-P1074 HydrophobicContact CD1-CB 4Å; I956-P1075 HydrophobicContact CD1-CB 4.3Å; I956-P1075 HydrophobicContact CD1-CG 3.7Å; I956-L1078 HydrophobicContact CD1-CD1 4.1Å; I956-L1078 HydrophobicContact CG1-CD1 3.31Å |
| 957 | L | 95.9 | Very high | 94.8 | Very high | 2 Ų | 2 | 23.1 Ų | 23.1 | 1% | 0.01 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -58.7 | -44.7 | 178.2 | -64.5 | 172.8 | 0 | 0 | 0 | 111.3 | I828 L829 T832 W846 F861 L880 Q953 M954 Q955 Q959 Q960 I961 | I828-L957 HydrophobicContact CG2-CD1 3.93Å; I828-L957 HydrophobicContact CG2-CD2 3.82Å; L829-L957 HydrophobicContact CD2-CD1 3.61Å; L829-L957 HydrophobicContact CG-CD1 4.43Å; T832-L957 HydrophobicContact CG2-CD2 4.38Å; W846-L957 HydrophobicContact CH2-CD2 3.96Å; W846-L957 HydrophobicContact CZ2-CD2 3.8Å; F861-L957 HydrophobicContact CZ-CD2 3.82Å; L880-L957 HydrophobicContact CD1-CB 3.95Å; Q953-L957 HydrophobicContact CG-CD1 4.49Å; Q953-L957 WeakPolarHBondContact O-CG 3.36Å; Q953-L957 PolarHBondContact O-N 3.03Å; Q953-L957 VanDerWaalsContact O-N 3.11Å; M954-L957 PolarHBondContact O-N 3Å; Q955-L957 VanDerWaalsContact C-N 3.33Å; L957-Q959 VanDerWaalsContact C-N 3.33Å; L957-Q959 PolarHBondContact O-N 3.14Å; L957-Q960 PolarHBondContact O-N 2.67Å; L957-I961 VanDerWaalsContact O-CG1 3.28Å; L957-I961 WeakPolarHBondContact O-CG1 3.28Å; L957-I961 PolarHBondContact O-N 3.47Å |
| 958 | R | 95.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -59.7 | -40.8 | 175.3 | -68.4 | -169.5 | 72.9 | -136.6 | -9.5 | 112.5 | D877 L880 C881 M954 Q955 I956 I961 A962 P1025 Y1030 | D877-R958 WeakPolarHBondContact OD1-CB 3.39Å; D877-R958 VanDerWaalsContact OD1-CG 3.24Å; D877-R958 WeakPolarHBondContact OD1-CG 3.28Å; D877-R958 IonicContact OD1-CZ 2.97Å; D877-R958 IonicContact OD1-NE 3.83Å; D877-R958 PolarHBondContact OD1-NE 3.37Å; D877-R958 IonicContact OD1-NH2 3.09Å; D877-R958 PolarHBondContact OD1-NH2 3.39Å; D877-R958 IonicContact OD2-CZ 2.63Å; D877-R958 IonicContact OD2-NE 2.89Å; D877-R958 IonicContact OD2-NH2 3.12Å; D877-R958 PolarHBondContact OD2-NH2 3.09Å; L880-R958 HydrophobicContact CB-CG 3.93Å; L880-R958 HydrophobicContact CD1-CG 3.95Å; C881-R958 PolarHBondContact SG-NE 2.78Å; C881-R958 VanDerWaalsContact SG-NE 3.37Å; C881-R958 PolarHBondContact SG-NH2 3.07Å; C881-R958 VanDerWaalsContact SG-NH2 3.37Å; M954-R958 VanDerWaalsContact O-CG 3.32Å; M954-R958 WeakPolarHBondContact O-CG 3.04Å; M954-R958 PolarHBondContact O-N 2.91Å; Q955-R958 PolarHBondContact O-N 3.23Å; I956-R958 VanDerWaalsContact C-N 3.33Å; I956-R958 PolarHBondContact O-N 2.87Å; R958-I961 PolarHBondContact O-N 3.46Å; R958-A962 WeakPolarHBondContact O-CB 3.44Å; R958-A962 PolarHBondContact O-N 3.04Å; R958-P1025 HydrophobicContact CB-CB 3.89Å; R958-P1025 HydrophobicContact CB-CG 4.11Å; R958-P1025 PolarHBondContact NH1-O 3.08Å; R958-Y1030 PolarHBondContact NH1-OH 2.84Å |
| 959 | Q | 93.8 | Very high | 94.6 | Very high | 38 Ų | 38 | 23.6 Ų | 23.6 | 18% | 0.178 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -64.3 | -43.1 | 175.7 | -73.5 | -178.8 | -49.1 | 0 | 0 | 112.2 | Q955 I956 L957 I961 A962 N963 P1025 L1026 | Q955-Q959 WeakPolarHBondContact O-CG 3.3Å; Q955-Q959 PolarHBondContact O-N 2.76Å; I956-Q959 WeakPolarHBondContact O-CB 3.39Å; I956-Q959 PolarHBondContact O-N 3.2Å; I956-Q959 VanDerWaalsContact O-N 3.14Å; L957-Q959 VanDerWaalsContact C-N 3.33Å; L957-Q959 PolarHBondContact O-N 3.14Å; Q959-I961 VanDerWaalsContact C-N 3.35Å; Q959-A962 PolarHBondContact O-N 3.47Å; Q959-N963 WeakPolarHBondContact O-CB 3.31Å; Q959-N963 PolarHBondContact O-N 3.36Å; Q959-N963 PolarHBondContact O-ND2 3.02Å; Q959-P1025 HydrophobicContact CG-CB 4.41Å; Q959-P1025 HydrophobicContact CG-CG 4.24Å; Q959-L1026 VanDerWaalsContact NE2-CD1 3.29Å |
| 960 | Q | 93.9 | Very high | 94.5 | Very high | 13 Ų | 13 | 29.4 Ų | 29.4 | 6% | 0.061 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.9 | -39.4 | 176.8 | -62.4 | -57.5 | -28.8 | 0 | 0 | 111.9 | N844 W846 F861 I956 L957 N963 E964 | N844-Q960 PolarHBondContact OD1-NE2 3.49Å; W846-Q960 HydrophobicContact CH2-CG 3.99Å; F861-Q960 HydrophobicContact CD2-CB 3.73Å; F861-Q960 HydrophobicContact CE1-CB 4.42Å; F861-Q960 HydrophobicContact CE2-CB 3.35Å; F861-Q960 HydrophobicContact CE2-CG 3.97Å; F861-Q960 HydrophobicContact CG-CB 4.4Å; F861-Q960 HydrophobicContact CZ-CB 3.74Å; F861-Q960 HydrophobicContact CZ-CG 4.48Å; I956-Q960 HydrophobicContact CG2-CG 4.47Å; I956-Q960 WeakPolarHBondContact O-CG 3.41Å; I956-Q960 PolarHBondContact O-N 2.93Å; L957-Q960 PolarHBondContact O-N 2.67Å; Q960-N963 PolarHBondContact O-N 3.24Å; Q960-E964 PolarHBondContact O-N 3.41Å |
| 961 | I | 95.6 | Very high | 94.3 | Very high | 3 Ų | 3 | 33.4 Ų | 33.4 | 2% | 0.015 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.4 | -48.9 | 173.4 | -69 | 166.7 | 0 | 0 | 0 | 110.9 | F861 L873 L876 D877 L880 L957 R958 Q959 N963 E964 L965 | F861-I961 HydrophobicContact CD1-CG1 3.61Å; F861-I961 HydrophobicContact CE1-CD1 4.24Å; F861-I961 HydrophobicContact CE1-CG1 3.56Å; L873-I961 HydrophobicContact CB-CG2 4.01Å; L873-I961 HydrophobicContact CD2-CG1 4.26Å; L873-I961 HydrophobicContact CD2-CG2 4.43Å; L876-I961 HydrophobicContact CB-CD1 4.03Å; D877-I961 HydrophobicContact CB-CG2 4.15Å; L880-I961 HydrophobicContact CD1-CD1 3.89Å; L957-I961 VanDerWaalsContact O-CG1 3.28Å; L957-I961 WeakPolarHBondContact O-CG1 3.28Å; L957-I961 PolarHBondContact O-N 3.47Å; R958-I961 PolarHBondContact O-N 3.46Å; Q959-I961 VanDerWaalsContact C-N 3.35Å; I961-N963 VanDerWaalsContact C-N 3.3Å; I961-N963 PolarHBondContact O-N 3.1Å; I961-E964 PolarHBondContact O-N 2.93Å; I961-L965 HydrophobicContact CG2-CD1 3.87Å; I961-L965 HydrophobicContact CG2-CG 4.36Å; I961-L965 WeakPolarHBondContact O-CB 3.29Å; I961-L965 WeakPolarHBondContact O-CG 3.46Å; I961-L965 PolarHBondContact O-N 3.25Å |
| 962 | A | 94.6 | Very high | 93.9 | Very high | 4 Ų | 4 | 38.2 Ų | 38.2 | 3% | 0.033 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.5 | -39.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112 | R958 Q959 N966 G1021 P1025 | R958-A962 WeakPolarHBondContact O-CB 3.44Å; R958-A962 PolarHBondContact O-N 3.04Å; Q959-A962 PolarHBondContact O-N 3.47Å; A962-N966 VanDerWaalsContact O-CB 3.29Å; A962-N966 WeakPolarHBondContact O-CB 3.24Å; A962-N966 PolarHBondContact O-N 3.2Å; A962-G1021 WeakPolarHBondContact O-CA 3.32Å; A962-P1025 HydrophobicContact CB-CG 4.25Å |
| 963 | N | 93.4 | Very high | 93.7 | Very high | 92 Ų | 92 | 40.9 Ų | 40.9 | 49% | 0.492 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -63.3 | -45.4 | 176.4 | -69.6 | -22.7 | 0 | 0 | 0 | 111.9 | Q959 Q960 I961 N966 Y967 | Q959-N963 WeakPolarHBondContact O-CB 3.31Å; Q959-N963 PolarHBondContact O-N 3.36Å; Q959-N963 PolarHBondContact O-ND2 3.02Å; Q960-N963 PolarHBondContact O-N 3.24Å; I961-N963 VanDerWaalsContact C-N 3.3Å; I961-N963 PolarHBondContact O-N 3.1Å; N963-N966 PolarHBondContact O-N 3.36Å; N963-Y967 WeakPolarHBondContact O-CB 3.4Å; N963-Y967 PolarHBondContact O-N 3.41Å |
| 964 | E | 94.9 | Very high | 93.6 | Very high | 26 Ų | 26 | 47.6 Ų | 47.6 | 12% | 0.121 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.8 | -45 | 179.2 | -172.4 | 62.8 | -168.1 | 0 | 0 | 111.6 | F861 S862 L873 Q960 I961 N966 Y967 S968 | F861-E964 HydrophobicContact CB-CB 4Å; F861-E964 HydrophobicContact CB-CG 4Å; S862-E964 WeakPolarHBondContact CA-OE1 3.16Å; S862-E964 VanDerWaalsContact CB-OE1 3.24Å; S862-E964 WeakPolarHBondContact CB-OE1 3.49Å; S862-E964 PolarHBondContact OG-OE1 3.45Å; S862-E964 PolarHBondContact OG-OE2 3.38Å; L873-E964 HydrophobicContact CD1-CB 4.25Å; L873-E964 HydrophobicContact CD1-CG 3.96Å; Q960-E964 PolarHBondContact O-N 3.41Å; I961-E964 PolarHBondContact O-N 2.93Å; E964-N966 VanDerWaalsContact C-N 3.32Å; E964-N966 PolarHBondContact O-N 3.11Å; E964-Y967 PolarHBondContact O-N 3.4Å; E964-S968 PolarHBondContact O-N 2.71Å |
| 965 | L | 94.6 | Very high | 93.5 | Very high | 4 Ų | 4 | 55.4 Ų | 55.4 | 2% | 0.021 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.7 | -43 | 174.5 | -73.4 | 173.4 | 0 | 0 | 0 | 111.9 | T870 L873 I961 C969 | T870-L965 HydrophobicContact CG2-CD2 4.2Å; L873-L965 HydrophobicContact CB-CD1 4.4Å; L873-L965 HydrophobicContact CB-CD2 3.89Å; L873-L965 HydrophobicContact CB-CG 4.16Å; L873-L965 HydrophobicContact CD1-CD2 4Å; L873-L965 HydrophobicContact CD1-CG 4.16Å; I961-L965 HydrophobicContact CG2-CD1 3.87Å; I961-L965 HydrophobicContact CG2-CG 4.36Å; I961-L965 WeakPolarHBondContact O-CB 3.29Å; I961-L965 WeakPolarHBondContact O-CG 3.46Å; I961-L965 PolarHBondContact O-N 3.25Å; L965-C969 WeakPolarHBondContact O-CB 3.35Å; L965-C969 PolarHBondContact O-N 3.07Å |
| 966 | N | 94.6 | Very high | 93.4 | Very high | 28 Ų | 28 | 60 Ų | 60 | 15% | 0.15 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.9 | -42.9 | 177.6 | -169.9 | -96 | 0 | 0 | 0 | 112.1 | A962 N963 E964 C969 R970 A1020 I1022 | A962-N966 VanDerWaalsContact O-CB 3.29Å; A962-N966 WeakPolarHBondContact O-CB 3.24Å; A962-N966 PolarHBondContact O-N 3.2Å; N963-N966 PolarHBondContact O-N 3.36Å; E964-N966 VanDerWaalsContact C-N 3.32Å; E964-N966 PolarHBondContact O-N 3.11Å; N966-C969 PolarHBondContact O-N 2.99Å; N966-R970 WeakPolarHBondContact O-CB 3.48Å; N966-R970 WeakPolarHBondContact O-CG 3.49Å; N966-R970 PolarHBondContact O-N 3.43Å; N966-R970 VanDerWaalsContact O-N 3.07Å; N966-R970 WeakPolarHBondContact OD1-CD 3.34Å; N966-R970 VanDerWaalsContact OD1-CZ 3.26Å; N966-R970 PolarHBondContact OD1-NE 3.13Å; N966-R970 PolarHBondContact OD1-NH1 2.91Å; N966-A1020 VanDerWaalsContact CA-O 3.24Å; N966-A1020 WeakPolarHBondContact CA-O 3.47Å; N966-A1020 PolarHBondContact N-O 3.4Å; N966-I1022 WeakPolarHBondContact ND2-CG1 3.45Å |
| 967 | Y | 92.6 | Very high | 93.3 | Very high | 152 Ų | 152 | 60 Ų | 60 | 60% | 0.596 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -59.7 | -52.1 | 177.6 | 176.9 | -99.4 | 0 | 0 | 0 | 111.1 | N963 E964 R970 F971 | N963-Y967 WeakPolarHBondContact O-CB 3.4Å; N963-Y967 PolarHBondContact O-N 3.41Å; E964-Y967 PolarHBondContact O-N 3.4Å; Y967-R970 PolarHBondContact O-N 3.18Å; Y967-F971 PolarHBondContact O-N 3.47Å |
| 968 | S | 91.7 | Very high | 93.2 | Very high | 10 Ų | 10 | 62.1 Ų | 62.1 | 7% | 0.07 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.8 | -44.7 | 177.4 | 159.6 | 0 | 0 | 0 | 0 | 112.4 | Q865 E964 R970 F971 D972 | Q865-S968 PolarHBondContact NE2-OG 3.37Å; E964-S968 PolarHBondContact O-N 2.71Å; S968-R970 VanDerWaalsContact C-N 3.26Å; S968-R970 PolarHBondContact O-N 2.99Å; S968-F971 CarbonylContact O-C 3.56Å; S968-F971 PolarHBondContact O-N 2.83Å; S968-D972 WeakPolarHBondContact O-CB 3.31Å; S968-D972 PolarHBondContact O-N 3.2Å; S968-D972 PolarHBondContact OG-OD2 2.93Å |
| 969 | C | 92.7 | Very high | 93.2 | Very high | 16 Ų | 16 | 64.9 Ų | 64.9 | 11% | 0.108 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -58.6 | -39.8 | -179.8 | -174.2 | 0 | 0 | 0 | 0 | 111.9 | L965 N966 F971 S973 A1020 | L965-C969 WeakPolarHBondContact O-CB 3.35Å; L965-C969 PolarHBondContact O-N 3.07Å; N966-C969 PolarHBondContact O-N 2.99Å; C969-F971 VanDerWaalsContact C-N 3.31Å; C969-F971 PolarHBondContact O-N 3.1Å; C969-S973 CarbonylContact O-C 3.55Å; C969-S973 VanDerWaalsContact O-CA 3.31Å; C969-S973 WeakPolarHBondContact O-CA 3.49Å; C969-S973 PolarHBondContact O-N 2.88Å; C969-A1020 HydrophobicContact CB-CB 4.4Å |
| 970 | R | 92.8 | Very high | 93.2 | Very high | 132 Ų | 132 | 63.8 Ų | 63.8 | 50% | 0.498 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -68.4 | -29.1 | 176.3 | -75.4 | 176.8 | 168.6 | 178.2 | 0.6 | 113.4 | N966 Y967 S968 A977 E981 | N966-R970 WeakPolarHBondContact O-CB 3.48Å; N966-R970 WeakPolarHBondContact O-CG 3.49Å; N966-R970 PolarHBondContact O-N 3.43Å; N966-R970 VanDerWaalsContact O-N 3.07Å; N966-R970 WeakPolarHBondContact OD1-CD 3.34Å; N966-R970 VanDerWaalsContact OD1-CZ 3.26Å; N966-R970 PolarHBondContact OD1-NE 3.13Å; N966-R970 PolarHBondContact OD1-NH1 2.91Å; Y967-R970 PolarHBondContact O-N 3.18Å; S968-R970 VanDerWaalsContact C-N 3.26Å; S968-R970 PolarHBondContact O-N 2.99Å; R970-A977 HydrophobicContact CG-CB 4.13Å; R970-E981 IonicContact CZ-OE1 3.31Å; R970-E981 IonicContact NE-OE1 3.67Å; R970-E981 PolarHBondContact NE-OE1 2.91Å; R970-E981 IonicContact NH2-OE1 3.26Å; R970-E981 PolarHBondContact NH2-OE1 3.35Å |
| 971 | F | 90.6 | Very high | 93.1 | Very high | 159 Ų | 159 | 65 Ų | 65 | 70% | 0.697 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -83.8 | -55.1 | 178.9 | -169 | -96.3 | 0 | 0 | 0 | 111.8 | Y967 S968 C969 | Y967-F971 PolarHBondContact O-N 3.47Å; S968-F971 CarbonylContact O-C 3.56Å; S968-F971 PolarHBondContact O-N 2.83Å; C969-F971 VanDerWaalsContact C-N 3.31Å; C969-F971 PolarHBondContact O-N 3.1Å |
| 972 | D | 87.8 | Confident | 93.1 | Very high | 105 Ų | 105 | 69.8 Ų | 69.8 | 56% | 0.561 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -80.4 | -25.3 | -173.1 | -60 | -41.8 | 0 | 0 | 0 | 113 | S968 | S968-D972 WeakPolarHBondContact O-CB 3.31Å; S968-D972 PolarHBondContact O-N 3.2Å; S968-D972 PolarHBondContact OG-OD2 2.93Å |
| 973 | S | 90.7 | Very high | 93 | Very high | 56 Ų | 56 | 73.6 Ų | 73.6 | 39% | 0.392 | 37% | 0.371 | S | S | . | . | trans | -144.7 | 51.7 | -172 | -69.9 | 0 | 0 | 0 | 0 | 112.9 | C969 H975 L976 A977 | C969-S973 CarbonylContact O-C 3.55Å; C969-S973 VanDerWaalsContact O-CA 3.31Å; C969-S973 WeakPolarHBondContact O-CA 3.49Å; C969-S973 PolarHBondContact O-N 2.88Å; S973-H975 VanDerWaalsContact C-N 3.26Å; S973-H975 PolarHBondContact O-N 2.96Å; S973-H975 VanDerWaalsContact O-N 3.09Å; S973-L976 WeakPolarHBondContact O-CB 3.35Å; S973-L976 PolarHBondContact O-N 3.22Å; S973-A977 PolarHBondContact O-N 3.33Å | ||
| 974 | K | 93.4 | Very high | 92.9 | Very high | 153 Ų | 153 | 71 Ų | 71 | 67% | 0.665 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -48.5 | -41 | -176.2 | -174.1 | 178.6 | 179.4 | -180 | 0 | 114.8 | A978 | K974-A978 WeakPolarHBondContact O-CB 3.41Å; K974-A978 PolarHBondContact O-N 2.91Å |
| 975 | H | 94.7 | Very high | 92.7 | Very high | 168 Ų | 168 | 75.9 Ų | 75.9 | 78% | 0.778 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -68.2 | -40.6 | 179.9 | -67.3 | -63.9 | 0 | 0 | 0 | 112.5 | S973 A978 A979 | S973-H975 VanDerWaalsContact C-N 3.26Å; S973-H975 PolarHBondContact O-N 2.96Å; S973-H975 VanDerWaalsContact O-N 3.09Å; H975-A978 PolarHBondContact O-N 3.41Å; H975-A979 WeakPolarHBondContact O-CB 3.32Å; H975-A979 PolarHBondContact O-N 3.4Å |
| 976 | L | 92.8 | Very high | 92.5 | Very high | 96 Ų | 96 | 78 Ų | 78 | 50% | 0.503 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64.6 | -46.7 | 175.7 | 178.5 | 64.2 | 0 | 0 | 0 | 110.5 | S973 A978 A979 L980 | S973-L976 WeakPolarHBondContact O-CB 3.35Å; S973-L976 PolarHBondContact O-N 3.22Å; L976-A978 VanDerWaalsContact C-N 3.35Å; L976-A978 PolarHBondContact O-N 3.01Å; L976-A979 PolarHBondContact O-N 3.5Å; L976-L980 HydrophobicContact CD1-CD1 4.03Å; L976-L980 HydrophobicContact CD1-CG 4.09Å; L976-L980 HydrophobicContact CG-CD1 3.95Å; L976-L980 HydrophobicContact CG-CG 4.39Å; L976-L980 WeakPolarHBondContact O-CB 3.36Å; L976-L980 WeakPolarHBondContact O-CG 3.44Å; L976-L980 PolarHBondContact O-N 3.03Å |
| 977 | A | 93.3 | Very high | 92.3 | Very high | 4 Ų | 4 | 77.7 Ų | 77.7 | 3% | 0.033 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -57 | -47.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | R970 S973 A979 L980 E981 | R970-A977 HydrophobicContact CG-CB 4.13Å; S973-A977 PolarHBondContact O-N 3.33Å; A977-A979 PolarHBondContact O-N 3.41Å; A977-L980 PolarHBondContact O-N 3.36Å; A977-E981 WeakPolarHBondContact O-CB 3.46Å; A977-E981 WeakPolarHBondContact O-CG 3.23Å; A977-E981 PolarHBondContact O-N 3.09Å |
| 978 | A | 93.7 | Very high | 92.1 | Very high | 45 Ų | 45 | 74.9 Ų | 74.9 | 37% | 0.372 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63.8 | -41.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | K974 H975 L976 N982 | K974-A978 WeakPolarHBondContact O-CB 3.41Å; K974-A978 PolarHBondContact O-N 2.91Å; H975-A978 PolarHBondContact O-N 3.41Å; L976-A978 VanDerWaalsContact C-N 3.35Å; L976-A978 PolarHBondContact O-N 3.01Å; A978-N982 WeakPolarHBondContact O-CB 3.41Å; A978-N982 PolarHBondContact O-N 2.81Å; A978-N982 PolarHBondContact O-ND2 2.95Å |
| 979 | A | 95.2 | Very high | 91.9 | Very high | 58 Ų | 58 | 76.8 Ų | 76.8 | 48% | 0.479 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -64 | -46.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | H975 L976 A977 N982 L983 | H975-A979 WeakPolarHBondContact O-CB 3.32Å; H975-A979 PolarHBondContact O-N 3.4Å; L976-A979 PolarHBondContact O-N 3.5Å; A977-A979 PolarHBondContact O-N 3.41Å; A979-N982 PolarHBondContact O-N 3.1Å; A979-L983 VanDerWaalsContact O-CB 3.26Å; A979-L983 WeakPolarHBondContact O-CB 3.43Å; A979-L983 PolarHBondContact O-N 2.68Å |
| 980 | L | 93.6 | Very high | 91.7 | Very high | 15 Ų | 15 | 80.5 Ų | 80.5 | 8% | 0.079 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -64.2 | -43 | 178 | -71.9 | 175.5 | 0 | 0 | 0 | 112.1 | L976 A977 L983 N984 L1017 A1020 I1022 | L976-L980 HydrophobicContact CD1-CD1 4.03Å; L976-L980 HydrophobicContact CD1-CG 4.09Å; L976-L980 HydrophobicContact CG-CD1 3.95Å; L976-L980 HydrophobicContact CG-CG 4.39Å; L976-L980 WeakPolarHBondContact O-CB 3.36Å; L976-L980 WeakPolarHBondContact O-CG 3.44Å; L976-L980 PolarHBondContact O-N 3.03Å; A977-L980 PolarHBondContact O-N 3.36Å; L980-L983 PolarHBondContact O-N 3.36Å; L980-N984 VanDerWaalsContact O-CB 3.27Å; L980-N984 WeakPolarHBondContact O-CB 3.5Å; L980-N984 PolarHBondContact O-N 3.25Å; L980-L1017 HydrophobicContact CB-CD2 4.2Å; L980-A1020 HydrophobicContact CD1-CB 3.91Å; L980-I1022 HydrophobicContact CB-CD1 3.9Å; L980-I1022 HydrophobicContact CD1-CD1 4.46Å |
| 981 | E | 92.9 | Very high | 91.4 | Very high | 40 Ų | 40 | 75.6 Ų | 75.6 | 19% | 0.187 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -62.8 | -43.4 | 176.5 | -76.2 | -174.2 | -169.9 | 0 | 0 | 112.1 | R970 A977 K985 I1022 | R970-E981 IonicContact CZ-OE1 3.31Å; R970-E981 IonicContact NE-OE1 3.67Å; R970-E981 PolarHBondContact NE-OE1 2.91Å; R970-E981 IonicContact NH2-OE1 3.26Å; R970-E981 PolarHBondContact NH2-OE1 3.35Å; A977-E981 WeakPolarHBondContact O-CB 3.46Å; A977-E981 WeakPolarHBondContact O-CG 3.23Å; A977-E981 PolarHBondContact O-N 3.09Å; E981-K985 WeakPolarHBondContact O-CB 3.5Å; E981-K985 VanDerWaalsContact O-CG 3.27Å; E981-K985 WeakPolarHBondContact O-CG 3.46Å; E981-K985 PolarHBondContact O-N 3.47Å; E981-I1022 HydrophobicContact CG-CD1 3.92Å; E981-I1022 HydrophobicContact CG-CG2 4.21Å |
| 982 | N | 94 | Very high | 91.3 | Very high | 102 Ų | 102 | 73.9 Ų | 73.9 | 55% | 0.545 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -67.7 | -42.5 | 178.7 | -73.4 | -19.7 | 0 | 0 | 0 | 111.6 | A978 A979 K985 A986 | A978-N982 WeakPolarHBondContact O-CB 3.41Å; A978-N982 PolarHBondContact O-N 2.81Å; A978-N982 PolarHBondContact O-ND2 2.95Å; A979-N982 PolarHBondContact O-N 3.1Å; N982-K985 PolarHBondContact O-N 3.08Å; N982-A986 WeakPolarHBondContact O-CB 3.3Å; N982-A986 PolarHBondContact O-N 3.27Å |
| 983 | L | 92.5 | Very high | 91.3 | Very high | 84 Ų | 84 | 70.3 Ų | 70.3 | 44% | 0.44 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.2 | -45.7 | 176.8 | -178.2 | 62.3 | 0 | 0 | 0 | 111.3 | A979 L980 K985 A986 L987 I1013 | A979-L983 VanDerWaalsContact O-CB 3.26Å; A979-L983 WeakPolarHBondContact O-CB 3.43Å; A979-L983 PolarHBondContact O-N 2.68Å; L980-L983 PolarHBondContact O-N 3.36Å; L983-K985 PolarHBondContact O-N 3.33Å; L983-A986 PolarHBondContact O-N 3.13Å; L983-L987 VanDerWaalsContact O-CB 3.28Å; L983-L987 WeakPolarHBondContact O-CB 3.5Å; L983-L987 PolarHBondContact O-N 2.92Å; L983-I1013 HydrophobicContact CD2-CD1 3.69Å; L983-I1013 HydrophobicContact CD2-CG1 4.1Å; L983-I1013 HydrophobicContact CG-CD1 4Å |
| 984 | N | 91.9 | Very high | 91.2 | Very high | 39 Ų | 39 | 69.8 Ų | 69.8 | 21% | 0.209 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.8 | -43.8 | 176.9 | -175.5 | 44.6 | 0 | 0 | 0 | 111.8 | L980 L988 L1017 | L980-N984 VanDerWaalsContact O-CB 3.27Å; L980-N984 WeakPolarHBondContact O-CB 3.5Å; L980-N984 PolarHBondContact O-N 3.25Å; N984-L988 WeakPolarHBondContact O-CB 3.48Å; N984-L988 VanDerWaalsContact O-CG 3.26Å; N984-L988 WeakPolarHBondContact O-CG 3.49Å; N984-L988 PolarHBondContact O-N 3.28Å; N984-L1017 HydrophobicContact CB-CD1 4.06Å; N984-L1017 HydrophobicContact CB-CD2 4.01Å |
| 985 | K | 91.1 | Very high | 90.8 | Very high | 128 Ų | 128 | 70.8 Ų | 70.8 | 56% | 0.557 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -63.4 | -44.9 | 176.8 | -75.3 | 170.2 | -176 | 165.7 | 0 | 112.3 | E981 N982 L983 A989 | E981-K985 WeakPolarHBondContact O-CB 3.5Å; E981-K985 VanDerWaalsContact O-CG 3.27Å; E981-K985 WeakPolarHBondContact O-CG 3.46Å; E981-K985 PolarHBondContact O-N 3.47Å; N982-K985 PolarHBondContact O-N 3.08Å; L983-K985 PolarHBondContact O-N 3.33Å; K985-A989 WeakPolarHBondContact O-CB 3.42Å; K985-A989 PolarHBondContact O-N 3.5Å |
| 986 | A | 90.8 | Very high | 90.5 | Very high | 49 Ų | 49 | 70.1 Ų | 70.1 | 41% | 0.405 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.2 | -47.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111 | N982 L983 L988 A989 D990 | N982-A986 WeakPolarHBondContact O-CB 3.3Å; N982-A986 PolarHBondContact O-N 3.27Å; L983-A986 PolarHBondContact O-N 3.13Å; A986-L988 PolarHBondContact O-N 3.12Å; A986-A989 WeakPolarHBondContact O-CB 3.47Å; A986-A989 PolarHBondContact O-N 3.49Å; A986-A989 VanDerWaalsContact O-N 3.15Å; A986-D990 PolarHBondContact O-N 3.39Å |
| 987 | L | 89.2 | Confident | 90.2 | Very high | 21 Ų | 21 | 68.9 Ų | 68.9 | 11% | 0.11 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -65.1 | -39.6 | -180 | -179.9 | 137.2 | 0 | 0 | 0 | 112.6 | L983 A989 D990 I991 L1009 L1010 I1013 | L983-L987 VanDerWaalsContact O-CB 3.28Å; L983-L987 WeakPolarHBondContact O-CB 3.5Å; L983-L987 PolarHBondContact O-N 2.92Å; L987-A989 VanDerWaalsContact C-N 3.33Å; L987-D990 PolarHBondContact O-N 2.87Å; L987-I991 HydrophobicContact CD2-CD1 3.65Å; L987-I991 HydrophobicContact CG-CD1 4.28Å; L987-I991 VanDerWaalsContact O-CG1 3.28Å; L987-I991 WeakPolarHBondContact O-CG1 3.41Å; L987-I991 PolarHBondContact O-N 2.93Å; L987-L1009 HydrophobicContact CD1-CD2 3.78Å; L987-L1009 HydrophobicContact CD1-CG 4.24Å; L987-L1010 HydrophobicContact CD1-CD2 3.9Å; L987-L1010 HydrophobicContact CD2-CD2 3.48Å; L987-L1010 VanDerWaalsContact CD2-CD2 3.48Å; L987-L1010 HydrophobicContact CG-CD2 4.19Å; L987-I1013 HydrophobicContact CD1-CD1 4.04Å |
| 988 | L | 87.9 | Confident | 90 | Very high | 92 Ų | 92 | 73.6 Ų | 73.6 | 48% | 0.482 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65 | -37.6 | 173.3 | -72.4 | 173.5 | 0 | 0 | 0 | 112 | N984 A986 I991 E992 | N984-L988 WeakPolarHBondContact O-CB 3.48Å; N984-L988 VanDerWaalsContact O-CG 3.26Å; N984-L988 WeakPolarHBondContact O-CG 3.49Å; N984-L988 PolarHBondContact O-N 3.28Å; A986-L988 PolarHBondContact O-N 3.12Å; L988-I991 PolarHBondContact O-N 3.36Å; L988-E992 WeakPolarHBondContact O-CB 3.27Å; L988-E992 PolarHBondContact O-N 3.01Å |
| 989 | A | 88.8 | Confident | 89.5 | Confident | 51 Ų | 51 | 76 Ų | 76 | 42% | 0.421 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -66.1 | -40.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | K985 A986 L987 E992 A993 | K985-A989 WeakPolarHBondContact O-CB 3.42Å; K985-A989 PolarHBondContact O-N 3.5Å; A986-A989 WeakPolarHBondContact O-CB 3.47Å; A986-A989 PolarHBondContact O-N 3.49Å; A986-A989 VanDerWaalsContact O-N 3.15Å; L987-A989 VanDerWaalsContact C-N 3.33Å; A989-E992 PolarHBondContact O-N 3.41Å; A989-A993 VanDerWaalsContact O-CB 3.3Å; A989-A993 WeakPolarHBondContact O-CB 3.39Å; A989-A993 PolarHBondContact O-N 2.96Å |
| 990 | D | 87.4 | Confident | 89 | Confident | 93 Ų | 93 | 76.6 Ų | 76.6 | 50% | 0.497 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -64 | -41.8 | 175.4 | -69.5 | -19.3 | 0 | 0 | 0 | 111.4 | A986 L987 A993 H994 | A986-D990 PolarHBondContact O-N 3.39Å; L987-D990 PolarHBondContact O-N 2.87Å; D990-A993 PolarHBondContact O-N 2.93Å; D990-H994 PolarHBondContact O-N 3.39Å |
| 991 | I | 87.3 | Confident | 88.2 | Confident | 30 Ų | 30 | 80.6 Ų | 80.6 | 15% | 0.154 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -62.7 | -46 | 175.1 | -70.6 | 167.7 | 0 | 0 | 0 | 110.9 | L987 L988 A993 H994 Y995 Y1002 L1010 | L987-I991 HydrophobicContact CD2-CD1 3.65Å; L987-I991 HydrophobicContact CG-CD1 4.28Å; L987-I991 VanDerWaalsContact O-CG1 3.28Å; L987-I991 WeakPolarHBondContact O-CG1 3.41Å; L987-I991 PolarHBondContact O-N 2.93Å; L988-I991 PolarHBondContact O-N 3.36Å; I991-A993 VanDerWaalsContact C-N 3.33Å; I991-A993 PolarHBondContact O-N 3.44Å; I991-H994 PolarHBondContact O-N 3.49Å; I991-Y995 HydrophobicContact CG2-CD2 3.89Å; I991-Y995 HydrophobicContact CG2-CE2 3.7Å; I991-Y995 VanDerWaalsContact O-CD2 3.24Å; I991-Y995 WeakPolarHBondContact O-CD2 3.28Å; I991-Y995 PolarHBondContact O-N 2.83Å; I991-Y995 VanDerWaalsContact O-N 3.12Å; I991-Y1002 HydrophobicContact CG1-CD2 4.17Å; I991-Y1002 HydrophobicContact CG1-CE2 4.08Å; I991-Y1002 HydrophobicContact CG2-CD2 4.43Å; I991-Y1002 HydrophobicContact CG2-CE2 4.02Å; I991-L1010 HydrophobicContact CD1-CD2 4.27Å |
| 992 | E | 87.6 | Confident | 87.7 | Confident | 122 Ų | 122 | 83.1 Ų | 83.1 | 57% | 0.57 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -63.1 | -41.2 | 178.1 | -172.8 | 173 | -174.6 | 0 | 0 | 111.4 | L988 A989 H994 Y995 Q996 | L988-E992 WeakPolarHBondContact O-CB 3.27Å; L988-E992 PolarHBondContact O-N 3.01Å; A989-E992 PolarHBondContact O-N 3.41Å; E992-H994 VanDerWaalsContact C-N 3.34Å; E992-H994 PolarHBondContact O-N 2.9Å; E992-Y995 PolarHBondContact O-N 3.34Å; E992-Q996 WeakPolarHBondContact O-CG 3.26Å; E992-Q996 PolarHBondContact O-N 2.91Å |
| 993 | A | 88.3 | Confident | 86.9 | Confident | 30 Ų | 30 | 79.3 Ų | 79.3 | 25% | 0.248 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -63 | -40 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | A989 D990 I991 Y995 Q996 D997 L1000 | A989-A993 VanDerWaalsContact O-CB 3.3Å; A989-A993 WeakPolarHBondContact O-CB 3.39Å; A989-A993 PolarHBondContact O-N 2.96Å; D990-A993 PolarHBondContact O-N 2.93Å; I991-A993 VanDerWaalsContact C-N 3.33Å; I991-A993 PolarHBondContact O-N 3.44Å; A993-Y995 PolarHBondContact O-N 3.46Å; A993-Q996 PolarHBondContact O-N 3.47Å; A993-Q996 VanDerWaalsContact O-N 3.13Å; A993-D997 PolarHBondContact O-N 2.92Å; A993-L1000 HydrophobicContact CB-CD1 3.64Å |
| 994 | H | 88.1 | Confident | 86.2 | Confident | 45 Ų | 45 | 83 Ų | 83 | 21% | 0.208 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -62.3 | -39.3 | 174.6 | 180 | 80.5 | 0 | 0 | 0 | 113.2 | D990 I991 E992 Q996 D997 P998 L1000 Y1002 | D990-H994 PolarHBondContact O-N 3.39Å; I991-H994 PolarHBondContact O-N 3.49Å; E992-H994 VanDerWaalsContact C-N 3.34Å; E992-H994 PolarHBondContact O-N 2.9Å; H994-Q996 PolarHBondContact O-N 3.32Å; H994-D997 WeakPolarHBondContact CA-O 3.34Å; H994-D997 CarbonylContact O-C 3.58Å; H994-D997 PolarHBondContact O-N 2.66Å; H994-P998 PolarHBondContact CE1-O 3.33Å; H994-P998 VanDerWaalsContact CE1-O 3.31Å; H994-P998 WeakPolarHBondContact O-CA 3.27Å; H994-L1000 PolarHBondContact ND1-O 3.43Å; H994-Y1002 HydrophobicContact CB-CD2 4.5Å; H994-Y1002 AromaticContact CD2-CD2 3.87Å; H994-Y1002 AromaticContact CD2-CG 3.91Å |
| 995 | Y | 85.6 | Confident | 85.1 | Confident | 175 Ų | 175 | 90.4 Ų | 90.4 | 69% | 0.686 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -66.6 | -23.7 | 175.5 | -82.8 | -69.8 | 0 | 0 | 0 | 113.1 | I991 E992 A993 | I991-Y995 HydrophobicContact CG2-CD2 3.89Å; I991-Y995 HydrophobicContact CG2-CE2 3.7Å; I991-Y995 VanDerWaalsContact O-CD2 3.24Å; I991-Y995 WeakPolarHBondContact O-CD2 3.28Å; I991-Y995 PolarHBondContact O-N 2.83Å; I991-Y995 VanDerWaalsContact O-N 3.12Å; E992-Y995 PolarHBondContact O-N 3.34Å; A993-Y995 PolarHBondContact O-N 3.46Å |
| 996 | Q | 88.9 | Confident | 84.4 | Confident | 153 Ų | 153 | 91.5 Ų | 91.5 | 72% | 0.715 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -85.8 | -37.8 | 173.7 | -64.2 | 177.3 | 14.4 | 0 | 0 | 112 | E992 A993 H994 | E992-Q996 WeakPolarHBondContact O-CG 3.26Å; E992-Q996 PolarHBondContact O-N 2.91Å; A993-Q996 PolarHBondContact O-N 3.47Å; A993-Q996 VanDerWaalsContact O-N 3.13Å; H994-Q996 PolarHBondContact O-N 3.32Å |
| 997 | D | 87.2 | Confident | 83.8 | Confident | 71 Ų | 71 | 92.9 Ų | 92.9 | 38% | 0.38 | 48% | 0.484 | S | S | . | . | trans | -135.5 | 102.3 | 177.3 | -176.4 | -8.2 | 0 | 0 | 0 | 110.9 | A993 H994 S999 L1000 | A993-D997 PolarHBondContact O-N 2.92Å; H994-D997 WeakPolarHBondContact CA-O 3.34Å; H994-D997 CarbonylContact O-C 3.58Å; H994-D997 PolarHBondContact O-N 2.66Å; D997-S999 PolarHBondContact O-N 3.44Å; D997-S999 VanDerWaalsContact OD1-CB 3.27Å; D997-S999 WeakPolarHBondContact OD1-CB 3.26Å; D997-S999 PolarHBondContact OD1-N 3.5Å; D997-S999 PolarHBondContact OD1-OG 3.16Å; D997-S999 PolarHBondContact OD2-OG 2.96Å; D997-S999 VanDerWaalsContact OD2-OG 3.08Å; D997-L1000 HydrophobicContact CB-CD1 4.07Å; D997-L1000 HydrophobicContact CB-CG 4.23Å; D997-L1000 WeakPolarHBondContact O-CB 3.41Å; D997-L1000 PolarHBondContact O-N 2.9Å; D997-L1000 VanDerWaalsContact O-N 3.1Å | ||
| 998 | P | 87.2 | Confident | 83.6 | Confident | 102 Ų | 102 | 95.6 Ų | 95.6 | 66% | 0.662 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -8.9 | -179.2 | -25.3 | 35 | 0 | 0 | 0 | 115.4 | H994 L1000 | H994-P998 PolarHBondContact CE1-O 3.33Å; H994-P998 VanDerWaalsContact CE1-O 3.31Å; H994-P998 WeakPolarHBondContact O-CA 3.27Å; P998-L1000 VanDerWaalsContact C-N 3.31Å |
| 999 | S | 84.6 | Confident | 83.4 | Confident | 97 Ų | 97 | 94.4 Ų | 94.4 | 68% | 0.678 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -16 | 175.8 | 73.6 | 0 | 0 | 0 | 0 | 113.7 | D997 | D997-S999 PolarHBondContact O-N 3.44Å; D997-S999 VanDerWaalsContact OD1-CB 3.27Å; D997-S999 WeakPolarHBondContact OD1-CB 3.26Å; D997-S999 PolarHBondContact OD1-N 3.5Å; D997-S999 PolarHBondContact OD1-OG 3.16Å; D997-S999 PolarHBondContact OD2-OG 2.96Å; D997-S999 VanDerWaalsContact OD2-OG 3.08Å |
| 1000 | L | 84.3 | Confident | 83.3 | Confident | 70 Ų | 70 | 94.7 Ų | 94.7 | 37% | 0.366 | 49% | 0.489 | S | S | . | . | S | Bend | trans | -79.1 | 156.6 | 178.1 | -65.1 | 177.4 | 0 | 0 | 0 | 111.9 | A993 H994 D997 P998 | A993-L1000 HydrophobicContact CB-CD1 3.64Å; H994-L1000 PolarHBondContact ND1-O 3.43Å; D997-L1000 HydrophobicContact CB-CD1 4.07Å; D997-L1000 HydrophobicContact CB-CG 4.23Å; D997-L1000 WeakPolarHBondContact O-CB 3.41Å; D997-L1000 PolarHBondContact O-N 2.9Å; D997-L1000 VanDerWaalsContact O-N 3.1Å; P998-L1000 VanDerWaalsContact C-N 3.31Å |
| 1001 | P | 77.1 | Confident | 83.1 | Confident | 98 Ų | 98 | 99.3 Ų | 99.3 | 64% | 0.636 | 50% | 0.501 | S | S | * | . | trans | -69.7 | 134.7 | -174.5 | 26.7 | -33.7 | 0 | 0 | 0 | 112.6 | ||||
| 1002 | Y | 81.3 | Confident | 83.1 | Confident | 94 Ų | 94 | 102.4 Ų | 102.4 | 37% | 0.369 | 52% | 0.515 | S | S | . | . | trans | -125 | 137.5 | 169.8 | -178.4 | -97 | 0 | 0 | 0 | 109.3 | I991 H994 K1004 | I991-Y1002 HydrophobicContact CG1-CD2 4.17Å; I991-Y1002 HydrophobicContact CG1-CE2 4.08Å; I991-Y1002 HydrophobicContact CG2-CD2 4.43Å; I991-Y1002 HydrophobicContact CG2-CE2 4.02Å; H994-Y1002 HydrophobicContact CB-CD2 4.5Å; H994-Y1002 AromaticContact CD2-CD2 3.87Å; H994-Y1002 AromaticContact CD2-CG 3.91Å; Y1002-K1004 PolarHBondContact O-N 2.91Å | ||
| 1003 | P | 78.4 | Confident | 83.1 | Confident | 22 Ų | 22 | 97.2 Ų | 97.2 | 14% | 0.143 | 49% | 0.491 | C | S | . | . | trans | -59.3 | 112.7 | 174.2 | -19.7 | 31.5 | 0 | 0 | 0 | 109.9 | N1007 L1010 | P1003-N1007 HydrophobicContact CB-CB 4.36Å; P1003-L1010 HydrophobicContact CB-CD1 4.24Å; P1003-L1010 HydrophobicContact CB-CG 4.21Å; P1003-L1010 HydrophobicContact CG-CD1 4.42Å; P1003-L1010 HydrophobicContact CG-CD2 4.32Å; P1003-L1010 HydrophobicContact CG-CG 4.3Å | ||
| 1004 | K | 76.4 | Confident | 83.1 | Confident | 160 Ų | 160 | 98.9 Ų | 98.9 | 70% | 0.696 | 50% | 0.498 | S | S | * | . | trans | -58 | 157.2 | 176.4 | -64.8 | -175.6 | 179.1 | -178.2 | 0 | 110.8 | Y1002 D1006 N1007 | Y1002-K1004 PolarHBondContact O-N 2.91Å; K1004-D1006 PolarHBondContact O-N 3.41Å; K1004-D1006 VanDerWaalsContact O-N 3.1Å; K1004-N1007 WeakPolarHBondContact O-CB 3.31Å; K1004-N1007 PolarHBondContact O-N 3.34Å | ||
| 1005 | E | 70.1 | Confident | 83.1 | Confident | 196 Ų | 196 | 99.2 Ų | 99.2 | 92% | 0.916 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -30.7 | 179.2 | -64.4 | -173.3 | 165.6 | 0 | 0 | 113 | N1007 | E1005-N1007 PolarHBondContact O-N 2.95Š|
| 1006 | D | 75.5 | Confident | 83.4 | Confident | 150 Ų | 150 | 97.9 Ų | 97.9 | 80% | 0.802 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -6.1 | 177.9 | -43.6 | -35.8 | 0 | 0 | 0 | 113.7 | K1004 | K1004-D1006 PolarHBondContact O-N 3.41Å; K1004-D1006 VanDerWaalsContact O-N 3.1Å |
| 1007 | N | 79.8 | Confident | 83.5 | Confident | 78 Ų | 78 | 91.2 Ų | 91.2 | 42% | 0.417 | 47% | 0.473 | S | S | . | . | trans | -88.1 | 119.2 | -176.7 | -170.7 | -19.2 | 0 | 0 | 0 | 111.1 | P1003 K1004 E1005 L1009 | P1003-N1007 HydrophobicContact CB-CB 4.36Å; K1004-N1007 WeakPolarHBondContact O-CB 3.31Å; K1004-N1007 PolarHBondContact O-N 3.34Å; E1005-N1007 PolarHBondContact O-N 2.95Å; N1007-L1009 PolarHBondContact O-N 3.3Å; N1007-L1009 WeakPolarHBondContact OD1-CB 3.16Å; N1007-L1009 PolarHBondContact OD1-N 3.49Å | ||
| 1008 | T | 83.3 | Confident | 83.6 | Confident | 79 Ų | 79 | 89.9 Ų | 89.9 | 49% | 0.485 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -8.2 | -178.4 | 59.6 | 0 | 0 | 0 | 0 | 114.2 | L1010 Y1011 E1012 | T1008-L1010 PolarHBondContact O-N 3.14Å; T1008-Y1011 WeakPolarHBondContact O-CB 3.41Å; T1008-Y1011 PolarHBondContact O-N 3.31Å; T1008-E1012 WeakPolarHBondContact CB-OE1 3.5Å; T1008-E1012 PolarHBondContact O-N 2.64Å; T1008-E1012 PolarHBondContact OG1-OE1 3.31Å |
| 1009 | L | 85.6 | Confident | 83.7 | Confident | 67 Ų | 67 | 87 Ų | 87 | 35% | 0.351 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -52.5 | -47.2 | -174 | -177.5 | 67.4 | 0 | 0 | 0 | 113.5 | L987 N1007 Y1011 E1012 I1013 | L987-L1009 HydrophobicContact CD1-CD2 3.78Å; L987-L1009 HydrophobicContact CD1-CG 4.24Å; N1007-L1009 PolarHBondContact O-N 3.3Å; N1007-L1009 WeakPolarHBondContact OD1-CB 3.16Å; N1007-L1009 PolarHBondContact OD1-N 3.49Å; L1009-Y1011 VanDerWaalsContact C-N 3.31Å; L1009-Y1011 PolarHBondContact O-N 3.47Å; L1009-E1012 PolarHBondContact O-N 2.96Å; L1009-I1013 HydrophobicContact CD1-CD1 3.56Å; L1009-I1013 HydrophobicContact CD1-CG1 4.11Å; L1009-I1013 HydrophobicContact CD2-CD1 4.49Å; L1009-I1013 HydrophobicContact CG-CD1 3.74Å; L1009-I1013 HydrophobicContact CG-CG1 4.48Å; L1009-I1013 WeakPolarHBondContact O-CB 3.5Å; L1009-I1013 VanDerWaalsContact O-CG1 3.31Å; L1009-I1013 WeakPolarHBondContact O-CG1 3.37Å; L1009-I1013 PolarHBondContact O-N 3.13Å |
| 1010 | L | 84.6 | Confident | 84.1 | Confident | 57 Ų | 57 | 82.6 Ų | 82.6 | 30% | 0.298 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64.5 | -39.1 | -179.6 | -66.1 | 179.9 | 0 | 0 | 0 | 111.7 | L987 I991 P1003 T1008 T1014 | L987-L1010 HydrophobicContact CD1-CD2 3.9Å; L987-L1010 HydrophobicContact CD2-CD2 3.48Å; L987-L1010 VanDerWaalsContact CD2-CD2 3.48Å; L987-L1010 HydrophobicContact CG-CD2 4.19Å; I991-L1010 HydrophobicContact CD1-CD2 4.27Å; P1003-L1010 HydrophobicContact CB-CD1 4.24Å; P1003-L1010 HydrophobicContact CB-CG 4.21Å; P1003-L1010 HydrophobicContact CG-CD1 4.42Å; P1003-L1010 HydrophobicContact CG-CD2 4.32Å; P1003-L1010 HydrophobicContact CG-CG 4.3Å; T1008-L1010 PolarHBondContact O-N 3.14Å; L1010-T1014 VanDerWaalsContact O-CB 3.32Å; L1010-T1014 WeakPolarHBondContact O-CB 3.27Å; L1010-T1014 PolarHBondContact O-N 3.19Å; L1010-T1014 VanDerWaalsContact O-N 3.09Å; L1010-T1014 PolarHBondContact O-OG1 2.79Å |
| 1011 | Y | 84.4 | Confident | 84.5 | Confident | 189 Ų | 189 | 79.6 Ų | 79.6 | 74% | 0.741 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -67.2 | -47.9 | 178.9 | 177.6 | -98.5 | 0 | 0 | 0 | 111.1 | T1008 L1009 T1014 A1015 | T1008-Y1011 WeakPolarHBondContact O-CB 3.41Å; T1008-Y1011 PolarHBondContact O-N 3.31Å; L1009-Y1011 VanDerWaalsContact C-N 3.31Å; L1009-Y1011 PolarHBondContact O-N 3.47Å; Y1011-T1014 PolarHBondContact O-N 2.7Å; Y1011-A1015 PolarHBondContact O-N 3.04Å |
| 1012 | E | 86.4 | Confident | 85.1 | Confident | 95 Ų | 95 | 76.3 Ų | 76.3 | 44% | 0.444 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.6 | -47.5 | 179.7 | -70.7 | 173.4 | -156 | 0 | 0 | 112.1 | T1008 L1009 T1014 A1015 Y1016 | T1008-E1012 WeakPolarHBondContact CB-OE1 3.5Å; T1008-E1012 PolarHBondContact O-N 2.64Å; T1008-E1012 PolarHBondContact OG1-OE1 3.31Å; L1009-E1012 PolarHBondContact O-N 2.96Å; E1012-T1014 VanDerWaalsContact C-N 3.3Å; E1012-T1014 PolarHBondContact O-N 3.13Å; E1012-A1015 PolarHBondContact O-N 3.07Å; E1012-Y1016 WeakPolarHBondContact O-CD2 3.34Å; E1012-Y1016 PolarHBondContact O-N 3.21Å |
| 1013 | I | 89.1 | Confident | 85.5 | Confident | 13 Ų | 13 | 74 Ų | 74 | 7% | 0.067 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -61.4 | -40.2 | 178 | -70.8 | 174.3 | 0 | 0 | 0 | 111 | L983 L987 L1009 A1015 Y1016 L1017 | L983-I1013 HydrophobicContact CD2-CD1 3.69Å; L983-I1013 HydrophobicContact CD2-CG1 4.1Å; L983-I1013 HydrophobicContact CG-CD1 4Å; L987-I1013 HydrophobicContact CD1-CD1 4.04Å; L1009-I1013 HydrophobicContact CD1-CD1 3.56Å; L1009-I1013 HydrophobicContact CD1-CG1 4.11Å; L1009-I1013 HydrophobicContact CD2-CD1 4.49Å; L1009-I1013 HydrophobicContact CG-CD1 3.74Å; L1009-I1013 HydrophobicContact CG-CG1 4.48Å; L1009-I1013 WeakPolarHBondContact O-CB 3.5Å; L1009-I1013 VanDerWaalsContact O-CG1 3.31Å; L1009-I1013 WeakPolarHBondContact O-CG1 3.37Å; L1009-I1013 PolarHBondContact O-N 3.13Å; I1013-A1015 VanDerWaalsContact C-N 3.28Å; I1013-A1015 PolarHBondContact O-N 3.37Å; I1013-Y1016 PolarHBondContact O-N 2.81Å; I1013-Y1016 VanDerWaalsContact O-N 3.14Å; I1013-L1017 HydrophobicContact CG2-CD1 3.65Å; I1013-L1017 HydrophobicContact CG2-CG 3.91Å; I1013-L1017 WeakPolarHBondContact O-CG 3.38Å; I1013-L1017 PolarHBondContact O-N 3.25Å |
| 1014 | T | 87.8 | Confident | 85.9 | Confident | 65 Ų | 65 | 75 Ų | 75 | 40% | 0.399 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -58.1 | -42.4 | 178.9 | -62.4 | 0 | 0 | 0 | 0 | 111.3 | L1010 Y1011 E1012 Y1016 L1017 E1018 | L1010-T1014 VanDerWaalsContact O-CB 3.32Å; L1010-T1014 WeakPolarHBondContact O-CB 3.27Å; L1010-T1014 PolarHBondContact O-N 3.19Å; L1010-T1014 VanDerWaalsContact O-N 3.09Å; L1010-T1014 PolarHBondContact O-OG1 2.79Å; Y1011-T1014 PolarHBondContact O-N 2.7Å; E1012-T1014 VanDerWaalsContact C-N 3.3Å; E1012-T1014 PolarHBondContact O-N 3.13Å; T1014-Y1016 VanDerWaalsContact C-N 3.34Å; T1014-Y1016 PolarHBondContact O-N 3.49Å; T1014-L1017 PolarHBondContact O-N 2.95Å; T1014-E1018 HydrophobicContact CG2-CG 4.26Å; T1014-E1018 WeakPolarHBondContact O-CB 3.46Å; T1014-E1018 WeakPolarHBondContact O-CG 3.29Å; T1014-E1018 PolarHBondContact O-N 3.34Å |
| 1015 | A | 88.2 | Confident | 86.6 | Confident | 53 Ų | 53 | 67.6 Ų | 67.6 | 44% | 0.438 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.5 | -41.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y1011 E1012 I1013 A1019 | Y1011-A1015 PolarHBondContact O-N 3.04Å; E1012-A1015 PolarHBondContact O-N 3.07Å; I1013-A1015 VanDerWaalsContact C-N 3.28Å; I1013-A1015 PolarHBondContact O-N 3.37Å; A1015-A1019 WeakPolarHBondContact O-CB 3.41Å; A1015-A1019 PolarHBondContact O-N 3.41Å |
| 1016 | Y | 90.4 | Very high | 87.5 | Confident | 147 Ų | 147 | 58.8 Ų | 58.8 | 58% | 0.576 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -67.6 | -40.7 | 175.6 | -66.7 | -63.4 | 0 | 0 | 0 | 112.7 | E1012 I1013 T1014 A1019 A1020 | E1012-Y1016 WeakPolarHBondContact O-CD2 3.34Å; E1012-Y1016 PolarHBondContact O-N 3.21Å; I1013-Y1016 PolarHBondContact O-N 2.81Å; I1013-Y1016 VanDerWaalsContact O-N 3.14Å; T1014-Y1016 VanDerWaalsContact C-N 3.34Å; T1014-Y1016 PolarHBondContact O-N 3.49Å; Y1016-A1019 PolarHBondContact O-N 2.97Å; Y1016-A1020 WeakPolarHBondContact O-CB 3.39Å; Y1016-A1020 PolarHBondContact O-N 3.25Å |
| 1017 | L | 91.7 | Very high | 88.1 | Confident | 13 Ų | 13 | 55.3 Ų | 55.3 | 7% | 0.068 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.1 | -41.3 | 176.6 | -69.4 | 175.4 | 0 | 0 | 0 | 111.8 | L980 N984 I1013 T1014 A1020 G1021 I1022 | L980-L1017 HydrophobicContact CB-CD2 4.2Å; N984-L1017 HydrophobicContact CB-CD1 4.06Å; N984-L1017 HydrophobicContact CB-CD2 4.01Å; I1013-L1017 HydrophobicContact CG2-CD1 3.65Å; I1013-L1017 HydrophobicContact CG2-CG 3.91Å; I1013-L1017 WeakPolarHBondContact O-CG 3.38Å; I1013-L1017 PolarHBondContact O-N 3.25Å; T1014-L1017 PolarHBondContact O-N 2.95Å; L1017-A1020 PolarHBondContact O-N 3.03Å; L1017-G1021 PolarHBondContact O-N 3.36Å; L1017-G1021 VanDerWaalsContact O-N 3.13Å; L1017-I1022 HydrophobicContact CB-CB 4.49Å; L1017-I1022 HydrophobicContact CD2-CB 3.85Å; L1017-I1022 HydrophobicContact CD2-CD1 4.23Å; L1017-I1022 HydrophobicContact CD2-CG2 3.91Å; L1017-I1022 PolarHBondContact O-N 2.95Å |
| 1018 | E | 90.2 | Very high | 88.6 | Confident | 43 Ų | 43 | 54.6 Ų | 54.6 | 20% | 0.201 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.7 | -46.1 | 174.8 | -74.1 | -174 | 158.5 | 0 | 0 | 111 | T1014 A1020 G1021 H1023 K1028 | T1014-E1018 HydrophobicContact CG2-CG 4.26Å; T1014-E1018 WeakPolarHBondContact O-CB 3.46Å; T1014-E1018 WeakPolarHBondContact O-CG 3.29Å; T1014-E1018 PolarHBondContact O-N 3.34Å; E1018-A1020 VanDerWaalsContact C-N 3.3Å; E1018-A1020 PolarHBondContact O-N 3.14Å; E1018-G1021 PolarHBondContact O-N 3.42Å; E1018-H1023 HydrophobicContact CG-CB 4.4Å; E1018-K1028 IonicContact OE1-NZ 2.78Å; E1018-K1028 PolarHBondContact OE1-NZ 3.29Å; E1018-K1028 IonicContact OE2-NZ 2.63Å |
| 1019 | A | 89.4 | Confident | 88.9 | Confident | 41 Ų | 41 | 55.5 Ų | 55.5 | 34% | 0.339 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.6 | -31.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | N874 A1015 Y1016 G1021 | N874-A1019 WeakPolarHBondContact ND2-CA 3.15Å; A1015-A1019 WeakPolarHBondContact O-CB 3.41Å; A1015-A1019 PolarHBondContact O-N 3.41Å; Y1016-A1019 PolarHBondContact O-N 2.97Å; A1019-G1021 VanDerWaalsContact C-N 3.32Å |
| 1020 | A | 93 | Very high | 89.2 | Confident | 5 Ų | 5 | 53.6 Ų | 53.6 | 4% | 0.041 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 1.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | N966 C969 L980 Y1016 L1017 E1018 I1022 | N966-A1020 VanDerWaalsContact CA-O 3.24Å; N966-A1020 WeakPolarHBondContact CA-O 3.47Å; N966-A1020 PolarHBondContact N-O 3.4Å; C969-A1020 HydrophobicContact CB-CB 4.4Å; L980-A1020 HydrophobicContact CD1-CB 3.91Å; Y1016-A1020 WeakPolarHBondContact O-CB 3.39Å; Y1016-A1020 PolarHBondContact O-N 3.25Å; L1017-A1020 PolarHBondContact O-N 3.03Å; E1018-A1020 VanDerWaalsContact C-N 3.3Å; E1018-A1020 PolarHBondContact O-N 3.14Å; A1020-I1022 HydrophobicContact CB-CD1 3.72Å; A1020-I1022 HydrophobicContact CB-CG1 3.88Å; A1020-I1022 PolarHBondContact O-N 2.96Å |
| 1021 | G | 91.6 | Very high | 89.5 | Confident | 7 Ų | 7 | 51.4 Ų | 51.4 | 7% | 0.072 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.4 | 14.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | A962 L1017 E1018 A1019 H1023 | A962-G1021 WeakPolarHBondContact O-CA 3.32Å; L1017-G1021 PolarHBondContact O-N 3.36Å; L1017-G1021 VanDerWaalsContact O-N 3.13Å; E1018-G1021 PolarHBondContact O-N 3.42Å; A1019-G1021 VanDerWaalsContact C-N 3.32Å; G1021-H1023 PolarHBondContact O-N 3.39Å; G1021-H1023 VanDerWaalsContact O-N 3.13Å |
| 1022 | I | 90.9 | Very high | 89.6 | Confident | 28 Ų | 28 | 49.2 Ų | 49.2 | 14% | 0.144 | 26% | 0.264 | C | S | . | . | trans | -89.3 | 56.3 | 179.2 | -49.9 | 165.5 | 0 | 0 | 0 | 109 | N966 L980 E981 L1017 A1020 | N966-I1022 WeakPolarHBondContact ND2-CG1 3.45Å; L980-I1022 HydrophobicContact CB-CD1 3.9Å; L980-I1022 HydrophobicContact CD1-CD1 4.46Å; E981-I1022 HydrophobicContact CG-CD1 3.92Å; E981-I1022 HydrophobicContact CG-CG2 4.21Å; L1017-I1022 HydrophobicContact CB-CB 4.49Å; L1017-I1022 HydrophobicContact CD2-CB 3.85Å; L1017-I1022 HydrophobicContact CD2-CD1 4.23Å; L1017-I1022 HydrophobicContact CD2-CG2 3.91Å; L1017-I1022 PolarHBondContact O-N 2.95Å; A1020-I1022 HydrophobicContact CB-CD1 3.72Å; A1020-I1022 HydrophobicContact CB-CG1 3.88Å; A1020-I1022 PolarHBondContact O-N 2.96Å | ||
| 1023 | H | 88.6 | Confident | 89.5 | Confident | 47 Ų | 47 | 46.8 Ų | 46.8 | 22% | 0.218 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -147.1 | 166.2 | 177.8 | 71.7 | -79.1 | 0 | 0 | 0 | 111.1 | E1018 G1021 | E1018-H1023 HydrophobicContact CG-CB 4.4Å; G1021-H1023 PolarHBondContact O-N 3.39Å; G1021-H1023 VanDerWaalsContact O-N 3.13Å |
| 1024 | N | 87.8 | Confident | 89.2 | Confident | 42 Ų | 42 | 55.1 Ų | 55.1 | 23% | 0.225 | 29% | 0.292 | C | S | . | . | trans | -113 | 104.2 | 174.7 | -174.2 | -5.1 | 0 | 0 | 0 | 110.4 | L1026 N1027 | N1024-L1026 PolarHBondContact O-N 3.38Å; N1024-L1026 VanDerWaalsContact O-N 3.13Å; N1024-L1026 PolarHBondContact OD1-N 2.91Å; N1024-L1026 VanDerWaalsContact OD1-N 3.15Å; N1024-N1027 HydrophobicContact CB-CB 4.32Å; N1024-N1027 PolarHBondContact ND2-ND2 3.05Å; N1024-N1027 PolarHBondContact O-N 2.96Å | ||
| 1025 | P | 89.6 | Confident | 89 | Confident | 5 Ų | 5 | 62.4 Ų | 62.4 | 3% | 0.032 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -52.4 | -33.6 | 178.8 | -30.2 | 36.3 | 0 | 0 | 0 | 114.7 | R958 Q959 A962 N1027 K1028 | R958-P1025 HydrophobicContact CB-CB 3.89Å; R958-P1025 HydrophobicContact CB-CG 4.11Å; R958-P1025 PolarHBondContact NH1-O 3.08Å; Q959-P1025 HydrophobicContact CG-CB 4.41Å; Q959-P1025 HydrophobicContact CG-CG 4.24Å; A962-P1025 HydrophobicContact CB-CG 4.25Å; P1025-N1027 VanDerWaalsContact C-N 3.27Å; P1025-N1027 PolarHBondContact O-N 3.02Å; P1025-K1028 PolarHBondContact O-N 2.78Å |
| 1026 | L | 89.9 | Confident | 88.9 | Confident | 10 Ų | 10 | 60.4 Ų | 60.4 | 5% | 0.052 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -72.9 | -18.2 | -177.6 | -58 | -177 | 0 | 0 | 0 | 113.7 | Q955 Q959 N1024 L1078 | Q955-L1026 HydrophobicContact CB-CD2 3.99Å; Q955-L1026 HydrophobicContact CG-CD2 4.28Å; Q959-L1026 VanDerWaalsContact NE2-CD1 3.29Å; N1024-L1026 PolarHBondContact O-N 3.38Å; N1024-L1026 VanDerWaalsContact O-N 3.13Å; N1024-L1026 PolarHBondContact OD1-N 2.91Å; N1024-L1026 VanDerWaalsContact OD1-N 3.15Å; L1026-L1078 HydrophobicContact CD1-CD2 3.62Å; L1026-L1078 HydrophobicContact CD2-CD2 3.87Å; L1026-L1078 HydrophobicContact CG-CD2 4.4Å |
| 1027 | N | 87.9 | Confident | 88.7 | Confident | 77 Ų | 77 | 56.5 Ų | 56.5 | 41% | 0.412 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -89.8 | -7.7 | 179.1 | -78.4 | -20.9 | 0 | 0 | 0 | 113.3 | N1024 P1025 | N1024-N1027 HydrophobicContact CB-CB 4.32Å; N1024-N1027 PolarHBondContact ND2-ND2 3.05Å; N1024-N1027 PolarHBondContact O-N 2.96Å; P1025-N1027 VanDerWaalsContact C-N 3.27Å; P1025-N1027 PolarHBondContact O-N 3.02Å |
| 1028 | K | 89.9 | Confident | 88.6 | Confident | 63 Ų | 63 | 59.3 Ų | 59.3 | 27% | 0.274 | 30% | 0.296 | S | S | . | . | trans | -69.9 | 134.7 | -177.6 | -163.9 | 161.3 | -172.6 | 160.7 | 0 | 111 | E1018 P1025 Y1030 Q1086 | E1018-K1028 IonicContact OE1-NZ 2.78Å; E1018-K1028 PolarHBondContact OE1-NZ 3.29Å; E1018-K1028 IonicContact OE2-NZ 2.63Å; P1025-K1028 PolarHBondContact O-N 2.78Å; K1028-Y1030 HydrophobicContact CB-CE2 4.32Å; K1028-Y1030 HydrophobicContact CD-CE1 4.29Å; K1028-Y1030 HydrophobicContact CG-CE1 4.38Å; K1028-Q1086 PolarHBondContact O-NE2 3.32Å | ||
| 1029 | I | 90.9 | Very high | 88.7 | Confident | 99 Ų | 99 | 57.2 Ų | 57.2 | 51% | 0.508 | 29% | 0.287 | S | S | . | . | trans | -94.4 | 119.9 | 170.2 | -54.6 | -59.4 | 0 | 0 | 0 | 107.7 | K1085 | I1029-K1085 HydrophobicContact CD1-CG 4.1Å; I1029-K1085 WeakPolarHBondContact CD1-O 3.45Å | ||
| 1030 | Y | 91 | Very high | 88.8 | Confident | 26 Ų | 26 | 55.6 Ų | 55.6 | 10% | 0.102 | 27% | 0.273 | C | S | . | . | trans | -98.6 | -34.5 | -175.1 | -64.6 | -82.5 | 0 | 0 | 0 | 112.7 | C881 I884 V885 L888 Q955 R958 K1028 T1082 | C881-Y1030 HydrophobicContact CB-CD1 4.46Å; C881-Y1030 HydrophobicContact CB-CE1 4.03Å; I884-Y1030 HydrophobicContact CB-CD1 4.31Å; I884-Y1030 HydrophobicContact CB-CE1 4.11Å; I884-Y1030 HydrophobicContact CD1-CE1 4.13Å; I884-Y1030 VanDerWaalsContact CD1-OH 3.25Å; I884-Y1030 WeakPolarHBondContact CD1-OH 3.24Å; I884-Y1030 HydrophobicContact CG2-CD1 3.96Å; I884-Y1030 HydrophobicContact CG2-CD2 3.79Å; I884-Y1030 HydrophobicContact CG2-CE1 3.93Å; I884-Y1030 HydrophobicContact CG2-CE2 3.76Å; I884-Y1030 HydrophobicContact CG2-CG 3.86Å; V885-Y1030 HydrophobicContact CG2-CD1 4.07Å; V885-Y1030 HydrophobicContact CG2-CG 4.41Å; L888-Y1030 HydrophobicContact CD1-CD2 4.07Å; L888-Y1030 HydrophobicContact CD1-CG 4.22Å; Q955-Y1030 PolarHBondContact NE2-OH 3.05Å; Q955-Y1030 PolarHBondContact OE1-OH 2.82Å; R958-Y1030 PolarHBondContact NH1-OH 2.84Å; K1028-Y1030 HydrophobicContact CB-CE2 4.32Å; K1028-Y1030 HydrophobicContact CD-CE1 4.29Å; K1028-Y1030 HydrophobicContact CG-CE1 4.38Å; Y1030-T1082 HydrophobicContact CD2-CG2 4.29Å; Y1030-T1082 HydrophobicContact CE2-CG2 3.88Å | ||
| 1031 | I | 91.1 | Very high | 88.7 | Confident | 11 Ų | 11 | 55.5 Ų | 55.5 | 6% | 0.056 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -132.9 | 146.8 | -173.8 | 54 | 160.5 | 0 | 0 | 0 | 111 | V885 L888 Q889 L892 T1033 Q1086 | V885-I1031 HydrophobicContact CG1-CG2 4.05Å; L888-I1031 HydrophobicContact CB-CD1 3.85Å; L888-I1031 HydrophobicContact CB-CG1 4.34Å; L888-I1031 HydrophobicContact CB-CG2 4.3Å; L888-I1031 HydrophobicContact CD1-CG1 4.26Å; Q889-I1031 HydrophobicContact CG-CG2 4.17Å; L892-I1031 HydrophobicContact CD1-CD1 3.7Å; L892-I1031 HydrophobicContact CG-CD1 4.16Å; I1031-T1033 HydrophobicContact CD1-CG2 3.66Å; I1031-T1033 HydrophobicContact CG1-CG2 3.97Å; I1031-Q1086 HydrophobicContact CD1-CB 4.4Å; I1031-Q1086 HydrophobicContact CG1-CB 4.03Å; I1031-Q1086 HydrophobicContact CG1-CG 4.09Å |
| 1032 | T | 85.6 | Confident | 88.8 | Confident | 143 Ų | 143 | 55.2 Ų | 55.2 | 88% | 0.877 | 27% | 0.268 | S | S | * | . | trans | -84.1 | 127.3 | 166.5 | 47.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1033 | T | 84.4 | Confident | 89 | Confident | 45 Ų | 45 | 53.9 Ų | 53.9 | 28% | 0.276 | 26% | 0.262 | S | S | . | . | trans | -112.1 | 139.4 | -172.9 | 56.1 | 0 | 0 | 0 | 0 | 111.8 | I1031 Q1086 F1087 | I1031-T1033 HydrophobicContact CD1-CG2 3.66Å; I1031-T1033 HydrophobicContact CG1-CG2 3.97Å; T1033-Q1086 HydrophobicContact CG2-CB 4.18Å; T1033-Q1086 VanDerWaalsContact CG2-O 3.32Å; T1033-Q1086 WeakPolarHBondContact CG2-O 3.5Å; T1033-Q1086 PolarHBondContact OG1-O 2.91Å; T1033-F1087 HydrophobicContact CG2-CD1 4.13Å; T1033-F1087 HydrophobicContact CG2-CD2 4.25Å; T1033-F1087 HydrophobicContact CG2-CE1 3.79Å; T1033-F1087 HydrophobicContact CG2-CE2 3.91Å; T1033-F1087 HydrophobicContact CG2-CG 4.35Å; T1033-F1087 HydrophobicContact CG2-CZ 3.68Å | ||
| 1034 | K | 84 | Confident | 89.3 | Confident | 187 Ų | 187 | 51.7 Ų | 51.7 | 81% | 0.813 | 25% | 0.251 | S | S | * | . | trans | -86.3 | 161.2 | 166.7 | -66.2 | -176.7 | -178 | 178.4 | 0 | 109.7 | L1036 | K1034-L1036 PolarHBondContact O-N 3Å; K1034-L1036 VanDerWaalsContact O-N 3.15Å | ||
| 1035 | R | 82.9 | Confident | 89.5 | Confident | 219 Ų | 219 | 49.7 Ų | 49.7 | 83% | 0.826 | 24% | 0.241 | S | C | * | . | trans | -57.5 | 118.5 | 175.4 | -166.8 | -171.3 | 177.6 | 171.9 | -3.6 | 110.2 | Y1091 | R1035-Y1091 WeakPolarHBondContact CG-OH 3.32Š| ||
| 1036 | L | 86.8 | Confident | 89.8 | Confident | 11 Ų | 11 | 49.4 Ų | 49.4 | 6% | 0.058 | 24% | 0.239 | C | C | . | . | trans | -105.4 | 116.2 | 176.2 | -70.6 | -176.9 | 0 | 0 | 0 | 110.9 | L892 F895 L900 K1034 F1039 F1087 Y1091 | L892-L1036 HydrophobicContact CD2-CD1 3.76Å; F895-L1036 HydrophobicContact CD1-CD1 4.14Å; F895-L1036 HydrophobicContact CD1-CD2 4.42Å; F895-L1036 HydrophobicContact CE1-CB 4.35Å; F895-L1036 HydrophobicContact CE1-CD1 4.31Å; L900-L1036 HydrophobicContact CD1-CD2 4.18Å; K1034-L1036 PolarHBondContact O-N 3Å; K1034-L1036 VanDerWaalsContact O-N 3.15Å; L1036-F1039 HydrophobicContact CB-CB 3.91Å; L1036-F1039 HydrophobicContact CB-CD2 4.44Å; L1036-F1039 HydrophobicContact CB-CG 4.4Å; L1036-F1039 HydrophobicContact CD1-CD2 3.96Å; L1036-F1039 HydrophobicContact CD1-CE2 4.4Å; L1036-F1039 WeakPolarHBondContact O-CB 3.33Å; L1036-F1087 HydrophobicContact CB-CE1 4.25Å; L1036-F1087 HydrophobicContact CD1-CE1 3.52Å; L1036-F1087 HydrophobicContact CD1-CZ 3.44Å; L1036-F1087 VanDerWaalsContact CD1-CZ 3.44Å; L1036-F1087 HydrophobicContact CG-CE1 3.81Å; L1036-F1087 HydrophobicContact CG-CZ 4.24Å; L1036-Y1091 PolarHBondContact N-OH 3.45Å | ||
| 1037 | P | 85.9 | Confident | 90 | Very high | 64 Ų | 64 | 49 Ų | 49 | 42% | 0.416 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | 145.7 | 172.7 | -21.6 | 33.1 | 0 | 0 | 0 | 111.6 | L900 F1039 | L900-P1037 HydrophobicContact CD2-CB 4.44Å; P1037-F1039 PolarHBondContact O-N 2.98Å |
| 1038 | Y | 89.2 | Confident | 90.2 | Very high | 72 Ų | 72 | 45.7 Ų | 45.7 | 28% | 0.282 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.3 | 10.5 | 176.5 | -45.4 | -72.3 | 0 | 0 | 0 | 115.8 | L909 K910 I1041 V1042 | L909-Y1038 HydrophobicContact CB-CD1 4.2Å; L909-Y1038 HydrophobicContact CB-CG 4.23Å; L909-Y1038 HydrophobicContact CD1-CG 4.35Å; K910-Y1038 HydrophobicContact CB-CE1 4.48Å; Y1038-I1041 HydrophobicContact CD1-CG2 4.44Å; Y1038-I1041 WeakPolarHBondContact O-CG2 3.37Å; Y1038-I1041 PolarHBondContact O-N 3.1Å; Y1038-V1042 VanDerWaalsContact O-CG2 3.29Å; Y1038-V1042 WeakPolarHBondContact O-CG2 3.41Å; Y1038-V1042 PolarHBondContact O-N 2.97Å |
| 1039 | F | 91.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.6 | -46.4 | -174.9 | -179.4 | -101.6 | 0 | 0 | 0 | 114.7 | F891 F895 L1036 P1037 I1041 V1042 N1043 L1083 L1084 F1087 Y1091 | F891-F1039 HydrophobicContact CE1-CE2 4.21Å; F895-F1039 HydrophobicContact CD2-CD2 4.46Å; F895-F1039 AromaticContact CE2-CD2 3.91Å; F895-F1039 HydrophobicContact CE2-CD2 3.91Å; F895-F1039 HydrophobicContact CZ-CB 4.36Å; F895-F1039 HydrophobicContact CZ-CD2 4.16Å; L1036-F1039 HydrophobicContact CB-CB 3.91Å; L1036-F1039 HydrophobicContact CB-CD2 4.44Å; L1036-F1039 HydrophobicContact CB-CG 4.4Å; L1036-F1039 HydrophobicContact CD1-CD2 3.96Å; L1036-F1039 HydrophobicContact CD1-CE2 4.4Å; L1036-F1039 WeakPolarHBondContact O-CB 3.33Å; P1037-F1039 PolarHBondContact O-N 2.98Å; F1039-I1041 PolarHBondContact O-N 3.5Å; F1039-V1042 PolarHBondContact O-N 3.4Å; F1039-N1043 VanDerWaalsContact CE2-ND2 3.29Å; F1039-N1043 WeakPolarHBondContact CE2-ND2 3.37Å; F1039-N1043 VanDerWaalsContact CZ-ND2 3.33Å; F1039-N1043 WeakPolarHBondContact CZ-ND2 3.47Å; F1039-N1043 PolarHBondContact O-N 2.83Å; F1039-N1043 VanDerWaalsContact O-N 3.15Å; F1039-N1043 PolarHBondContact O-ND2 3.47Å; F1039-L1083 HydrophobicContact CE2-CD1 4.38Å; F1039-L1083 HydrophobicContact CE2-CD2 4.26Å; F1039-L1083 HydrophobicContact CE2-CG 4.32Å; F1039-L1083 HydrophobicContact CZ-CD1 4.18Å; F1039-L1083 HydrophobicContact CZ-CD2 4.19Å; F1039-L1083 HydrophobicContact CZ-CG 3.88Å; F1039-L1084 HydrophobicContact CE1-CD2 4.05Å; F1039-F1087 HydrophobicContact CD1-CD1 4.44Å; F1039-F1087 HydrophobicContact CD1-CD2 4.33Å; F1039-F1087 HydrophobicContact CD1-CG 4.25Å; F1039-F1087 HydrophobicContact CD2-CE2 4.43Å; F1039-F1087 HydrophobicContact CD2-CZ 4.26Å; F1039-F1087 HydrophobicContact CE1-CB 4.21Å; F1039-F1087 HydrophobicContact CE1-CD1 4.3Å; F1039-F1087 AromaticContact CE1-CD2 3.44Å; F1039-F1087 HydrophobicContact CE1-CD2 3.44Å; F1039-F1087 VanDerWaalsContact CE1-CD2 3.44Å; F1039-F1087 AromaticContact CE1-CE2 3.8Å; F1039-F1087 HydrophobicContact CE1-CE2 3.8Å; F1039-F1087 AromaticContact CE1-CG 3.72Å; F1039-F1087 HydrophobicContact CE1-CG 3.72Å; F1039-F1087 HydrophobicContact CE1-CZ 4.35Å; F1039-F1087 HydrophobicContact CE2-CD2 4.14Å; F1039-F1087 AromaticContact CE2-CE2 3.59Å; F1039-F1087 HydrophobicContact CE2-CE2 3.59Å; F1039-F1087 AromaticContact CE2-CZ 3.79Å; F1039-F1087 HydrophobicContact CE2-CZ 3.79Å; F1039-F1087 AromaticContact CZ-CD2 3.32Å; F1039-F1087 HydrophobicContact CZ-CD2 3.32Å; F1039-F1087 HydrophobicContact CZ-CE1 4.47Å; F1039-F1087 AromaticContact CZ-CE2 3.2Å; F1039-F1087 HydrophobicContact CZ-CE2 3.2Å; F1039-F1087 HydrophobicContact CZ-CG 4.03Å; F1039-F1087 AromaticContact CZ-CZ 3.83Å; F1039-F1087 HydrophobicContact CZ-CZ 3.83Å; F1039-Y1091 HydrophobicContact CB-CE1 4.47Å; F1039-Y1091 HydrophobicContact CD1-CD1 4.36Å; F1039-Y1091 HydrophobicContact CD1-CG 4.3Å |
| 1040 | P | 92.1 | Very high | 90.4 | Very high | 7 Ų | 7 | 38.5 Ų | 38.5 | 5% | 0.045 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.5 | -41.8 | 177.4 | -25.6 | 37.2 | 0 | 0 | 0 | 113.1 | N1043 F1044 Y1091 Q1094 F1095 L1098 | P1040-N1043 PolarHBondContact O-N 3.36Å; P1040-F1044 WeakPolarHBondContact O-CB 3.49Å; P1040-F1044 PolarHBondContact O-N 2.92Å; P1040-Y1091 HydrophobicContact CG-CD1 3.44Å; P1040-Y1091 VanDerWaalsContact CG-CD1 3.44Å; P1040-Y1091 HydrophobicContact CG-CE1 4.36Å; P1040-Y1091 HydrophobicContact CG-CG 4.22Å; P1040-Q1094 HydrophobicContact CB-CB 3.9Å; P1040-Q1094 HydrophobicContact CG-CB 3.98Å; P1040-F1095 HydrophobicContact CB-CB 4.19Å; P1040-L1098 HydrophobicContact CB-CD1 4.36Å |
| 1041 | I | 91.8 | Very high | 90.3 | Very high | 3 Ų | 3 | 37.3 Ų | 37.3 | 2% | 0.015 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -71.2 | -33.6 | -176.5 | -165.4 | 168.8 | 0 | 0 | 0 | 111.9 | L909 L912 M913 V916 Y1038 F1039 L1045 L1098 | L909-I1041 HydrophobicContact CD2-CG2 4.35Å; L912-I1041 HydrophobicContact CB-CD1 4.09Å; L912-I1041 HydrophobicContact CD2-CD1 3.8Å; L912-I1041 HydrophobicContact CD2-CG1 3.88Å; L912-I1041 HydrophobicContact CG-CD1 3.77Å; L912-I1041 HydrophobicContact CG-CG1 4.39Å; M913-I1041 HydrophobicContact CB-CD1 3.84Å; M913-I1041 HydrophobicContact CG-CD1 4.47Å; M913-I1041 HydrophobicContact SD-CB 4.49Å; M913-I1041 HydrophobicContact SD-CD1 3.84Å; V916-I1041 HydrophobicContact CG2-CD1 4.25Å; Y1038-I1041 HydrophobicContact CD1-CG2 4.44Å; Y1038-I1041 WeakPolarHBondContact O-CG2 3.37Å; Y1038-I1041 PolarHBondContact O-N 3.1Å; F1039-I1041 PolarHBondContact O-N 3.5Å; I1041-L1045 VanDerWaalsContact O-CB 3.25Å; I1041-L1045 WeakPolarHBondContact O-CB 3.37Å; I1041-L1045 PolarHBondContact O-N 3.29Å; I1041-L1098 HydrophobicContact CB-CD1 4.14Å; I1041-L1098 HydrophobicContact CG1-CD1 4.38Å |
| 1042 | V | 93.7 | Very high | 90.2 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.006 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.3 | -48 | 172.3 | 170.1 | 0 | 0 | 0 | 0 | 110.8 | F895 I899 L909 W941 Y944 Y1038 F1039 F1044 L1045 F1046 | F895-V1042 HydrophobicContact CE2-CB 4.05Å; F895-V1042 HydrophobicContact CE2-CG1 3.85Å; F895-V1042 HydrophobicContact CE2-CG2 4.2Å; F895-V1042 HydrophobicContact CZ-CB 4.43Å; F895-V1042 HydrophobicContact CZ-CG2 4.18Å; I899-V1042 HydrophobicContact CD1-CG1 3.82Å; I899-V1042 HydrophobicContact CG2-CG2 4.18Å; L909-V1042 HydrophobicContact CD1-CG2 3.56Å; L909-V1042 HydrophobicContact CD2-CG2 3.81Å; L909-V1042 HydrophobicContact CG-CG2 4.36Å; W941-V1042 HydrophobicContact CH2-CG1 4.19Å; W941-V1042 HydrophobicContact CZ3-CG1 4.16Å; Y944-V1042 HydrophobicContact CE2-CG1 3.88Å; Y1038-V1042 VanDerWaalsContact O-CG2 3.29Å; Y1038-V1042 WeakPolarHBondContact O-CG2 3.41Å; Y1038-V1042 PolarHBondContact O-N 2.97Å; F1039-V1042 PolarHBondContact O-N 3.4Å; V1042-F1044 VanDerWaalsContact C-N 3.3Å; V1042-F1044 PolarHBondContact O-N 3.33Å; V1042-L1045 PolarHBondContact O-N 2.94Å; V1042-F1046 VanDerWaalsContact O-CB 3.31Å; V1042-F1046 WeakPolarHBondContact O-CB 3.37Å; V1042-F1046 PolarHBondContact O-N 3.02Å |
| 1043 | N | 94.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64 | -38.2 | 179.1 | -76.4 | -70.2 | 0 | 0 | 0 | 111.7 | Y944 F1039 P1040 F1046 L1047 L1083 F1095 | Y944-N1043 VanDerWaalsContact OH-CG 3.27Å; Y944-N1043 PolarHBondContact OH-OD1 3.37Å; F1039-N1043 VanDerWaalsContact CE2-ND2 3.29Å; F1039-N1043 WeakPolarHBondContact CE2-ND2 3.37Å; F1039-N1043 VanDerWaalsContact CZ-ND2 3.33Å; F1039-N1043 WeakPolarHBondContact CZ-ND2 3.47Å; F1039-N1043 PolarHBondContact O-N 2.83Å; F1039-N1043 VanDerWaalsContact O-N 3.15Å; F1039-N1043 PolarHBondContact O-ND2 3.47Å; P1040-N1043 PolarHBondContact O-N 3.36Å; N1043-F1046 PolarHBondContact O-N 2.84Å; N1043-L1047 PolarHBondContact O-N 2.91Å; N1043-L1083 WeakPolarHBondContact OD1-CD2 3.49Å; N1043-F1095 HydrophobicContact CB-CD2 3.89Å; N1043-F1095 HydrophobicContact CB-CE2 3.88Å |
| 1044 | F | 94.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.8 | -51.5 | 172.8 | 162.5 | -105.6 | 0 | 0 | 0 | 111.2 | Y930 P1040 V1042 F1046 L1047 I1048 F1095 L1098 I1099 F1102 | Y930-F1044 AromaticContact CD1-CE1 3.94Å; Y930-F1044 HydrophobicContact CD1-CE1 3.94Å; Y930-F1044 HydrophobicContact CD1-CZ 4.13Å; Y930-F1044 AromaticContact CE1-CE1 3.63Å; Y930-F1044 HydrophobicContact CE1-CE1 3.63Å; Y930-F1044 AromaticContact CE1-CZ 3.75Å; Y930-F1044 HydrophobicContact CE1-CZ 3.75Å; P1040-F1044 WeakPolarHBondContact O-CB 3.49Å; P1040-F1044 PolarHBondContact O-N 2.92Å; V1042-F1044 VanDerWaalsContact C-N 3.3Å; V1042-F1044 PolarHBondContact O-N 3.33Å; F1044-F1046 VanDerWaalsContact C-N 3.27Å; F1044-F1046 PolarHBondContact O-N 3.43Å; F1044-L1047 PolarHBondContact O-N 3.26Å; F1044-I1048 HydrophobicContact CD2-CG2 4.33Å; F1044-I1048 HydrophobicContact CE1-CD1 3.97Å; F1044-I1048 HydrophobicContact CE2-CD1 4.47Å; F1044-I1048 HydrophobicContact CE2-CG2 3.81Å; F1044-I1048 HydrophobicContact CZ-CD1 3.86Å; F1044-I1048 HydrophobicContact CZ-CG2 4.21Å; F1044-I1048 PolarHBondContact O-N 2.83Å; F1044-I1048 VanDerWaalsContact O-N 3.13Å; F1044-F1095 HydrophobicContact CB-CD2 4Å; F1044-F1095 HydrophobicContact CB-CE2 4.25Å; F1044-L1098 HydrophobicContact CB-CB 4.06Å; F1044-L1098 HydrophobicContact CB-CD1 3.97Å; F1044-L1098 HydrophobicContact CD1-CB 4.12Å; F1044-L1098 HydrophobicContact CD1-CD1 4.37Å; F1044-L1098 HydrophobicContact CD2-CB 3.74Å; F1044-L1098 HydrophobicContact CE2-CB 4.23Å; F1044-L1098 WeakPolarHBondContact CE2-O 3.4Å; F1044-L1098 HydrophobicContact CG-CB 3.68Å; F1044-L1098 HydrophobicContact CG-CD1 4.22Å; F1044-L1098 HydrophobicContact CG-CG 4.47Å; F1044-I1099 HydrophobicContact CD2-CG1 3.97Å; F1044-F1102 HydrophobicContact CE2-CB 3.66Å; F1044-F1102 HydrophobicContact CE2-CG 4.22Å; F1044-F1102 HydrophobicContact CZ-CB 3.8Å; F1044-F1102 HydrophobicContact CZ-CD2 4.43Å; F1044-F1102 HydrophobicContact CZ-CG 4.31Å |
| 1045 | L | 93.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.8 | -37 | 179.7 | -170.4 | 63.5 | 0 | 0 | 0 | 111.8 | L909 L912 A933 I934 T937 W941 I1041 V1042 I1048 A1049 | L909-L1045 HydrophobicContact CD2-CD2 4.33Å; L912-L1045 HydrophobicContact CD2-CD1 4.17Å; L912-L1045 HydrophobicContact CD2-CD2 4.28Å; A933-L1045 HydrophobicContact CB-CD1 3.87Å; A933-L1045 HydrophobicContact CB-CD2 4.23Å; I934-L1045 HydrophobicContact CG1-CD1 3.56Å; I934-L1045 HydrophobicContact CG1-CG 4.34Å; T937-L1045 HydrophobicContact CG2-CD2 3.9Å; T937-L1045 WeakPolarHBondContact OG1-CD2 3.42Å; W941-L1045 HydrophobicContact CH2-CB 4.38Å; W941-L1045 HydrophobicContact CH2-CD2 4.3Å; W941-L1045 HydrophobicContact CH2-CG 4.36Å; W941-L1045 HydrophobicContact CZ2-CB 4.19Å; W941-L1045 HydrophobicContact CZ2-CD2 3.78Å; W941-L1045 HydrophobicContact CZ2-CG 3.73Å; I1041-L1045 VanDerWaalsContact O-CB 3.25Å; I1041-L1045 WeakPolarHBondContact O-CB 3.37Å; I1041-L1045 PolarHBondContact O-N 3.29Å; V1042-L1045 PolarHBondContact O-N 2.94Å; L1045-I1048 HydrophobicContact CD1-CD1 4.02Å; L1045-I1048 HydrophobicContact CD1-CG1 4.34Å; L1045-I1048 WeakPolarHBondContact O-CG1 3.47Å; L1045-A1049 VanDerWaalsContact O-CB 3.31Å; L1045-A1049 WeakPolarHBondContact O-CB 3.2Å; L1045-A1049 PolarHBondContact O-N 3.23Å; L1045-A1049 VanDerWaalsContact O-N 3.08Å |
| 1046 | F | 94.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -63.1 | -47.3 | 174.8 | 167.4 | -102.1 | 0 | 0 | 0 | 112 | W941 Y944 L945 I948 V1042 N1043 F1044 A1049 Q1050 L1076 L1080 | W941-F1046 HydrophobicContact CD2-CD2 4.25Å; W941-F1046 HydrophobicContact CE3-CB 4.08Å; W941-F1046 AromaticContact CE3-CD2 3.76Å; W941-F1046 HydrophobicContact CE3-CD2 3.76Å; W941-F1046 HydrophobicContact CE3-CG 4.4Å; W941-F1046 HydrophobicContact CH2-CB 4.19Å; W941-F1046 HydrophobicContact CZ3-CB 3.83Å; W941-F1046 HydrophobicContact CZ3-CD2 4.32Å; Y944-F1046 HydrophobicContact CD1-CB 4.37Å; Y944-F1046 AromaticContact CD1-CD1 3.96Å; Y944-F1046 HydrophobicContact CD1-CD1 3.96Å; Y944-F1046 AromaticContact CD1-CD2 3.46Å; Y944-F1046 HydrophobicContact CD1-CD2 3.46Å; Y944-F1046 VanDerWaalsContact CD1-CD2 3.46Å; Y944-F1046 HydrophobicContact CD1-CE1 4.07Å; Y944-F1046 AromaticContact CD1-CE2 3.6Å; Y944-F1046 HydrophobicContact CD1-CE2 3.6Å; Y944-F1046 AromaticContact CD1-CG 3.63Å; Y944-F1046 HydrophobicContact CD1-CG 3.63Å; Y944-F1046 AromaticContact CD1-CZ 3.91Å; Y944-F1046 HydrophobicContact CD1-CZ 3.91Å; Y944-F1046 HydrophobicContact CE1-CB 4.17Å; Y944-F1046 AromaticContact CE1-CD1 3.84Å; Y944-F1046 HydrophobicContact CE1-CD1 3.84Å; Y944-F1046 HydrophobicContact CE1-CD2 4.06Å; Y944-F1046 HydrophobicContact CE1-CE1 4.23Å; Y944-F1046 HydrophobicContact CE1-CE2 4.45Å; Y944-F1046 AromaticContact CE1-CG 3.73Å; Y944-F1046 HydrophobicContact CE1-CG 3.73Å; Y944-F1046 HydrophobicContact CG-CD2 4.04Å; Y944-F1046 HydrophobicContact CG-CE2 4.27Å; Y944-F1046 HydrophobicContact CG-CG 4.49Å; L945-F1046 HydrophobicContact CB-CE2 3.99Å; L945-F1046 HydrophobicContact CB-CZ 4.25Å; L945-F1046 HydrophobicContact CD1-CE2 4.38Å; L945-F1046 HydrophobicContact CD1-CZ 3.97Å; I948-F1046 HydrophobicContact CB-CE1 4.36Å; I948-F1046 HydrophobicContact CB-CZ 4.26Å; I948-F1046 HydrophobicContact CG1-CE1 4.03Å; I948-F1046 HydrophobicContact CG1-CZ 4.13Å; I948-F1046 HydrophobicContact CG2-CE1 4.22Å; I948-F1046 HydrophobicContact CG2-CZ 4.46Å; V1042-F1046 VanDerWaalsContact O-CB 3.31Å; V1042-F1046 WeakPolarHBondContact O-CB 3.37Å; V1042-F1046 PolarHBondContact O-N 3.02Å; N1043-F1046 PolarHBondContact O-N 2.84Å; F1044-F1046 VanDerWaalsContact C-N 3.27Å; F1044-F1046 PolarHBondContact O-N 3.43Å; F1046-A1049 WeakPolarHBondContact O-CB 3.49Å; F1046-A1049 PolarHBondContact O-N 3.19Å; F1046-Q1050 HydrophobicContact CE2-CG 4.12Å; F1046-Q1050 HydrophobicContact CZ-CG 4.12Å; F1046-Q1050 WeakPolarHBondContact O-CG 3.37Å; F1046-Q1050 PolarHBondContact O-N 3.01Å; F1046-Q1050 PolarHBondContact O-NE2 2.86Å; F1046-L1076 HydrophobicContact CE1-CD1 3.72Å; F1046-L1076 HydrophobicContact CZ-CD1 3.81Å; F1046-L1080 HydrophobicContact CD1-CD1 4.2Å; F1046-L1080 HydrophobicContact CD1-CD2 3.8Å; F1046-L1080 HydrophobicContact CD1-CG 4.4Å; F1046-L1080 HydrophobicContact CE1-CD1 4.06Å; F1046-L1080 HydrophobicContact CE1-CD2 3.93Å; F1046-L1080 HydrophobicContact CE1-CG 4.14Å |
| 1047 | L | 93.9 | Very high | 90.7 | Very high | 1 Ų | 1 | 23.4 Ų | 23.4 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -58.6 | -53.4 | 178.9 | 174.6 | 62.2 | 0 | 0 | 0 | 110.5 | N1043 F1044 A1049 Q1050 L1051 L1080 F1095 I1099 F1128 | N1043-L1047 PolarHBondContact O-N 2.91Å; F1044-L1047 PolarHBondContact O-N 3.26Å; L1047-A1049 PolarHBondContact O-N 2.75Å; L1047-Q1050 PolarHBondContact O-N 2.85Å; L1047-L1051 HydrophobicContact CD1-CD2 4.3Å; L1047-L1051 WeakPolarHBondContact O-CG 3.34Å; L1047-L1051 PolarHBondContact O-N 2.85Å; L1047-L1080 HydrophobicContact CB-CD1 4.31Å; L1047-L1080 HydrophobicContact CD1-CD1 4.07Å; L1047-F1095 HydrophobicContact CD2-CZ 4.09Å; L1047-I1099 HydrophobicContact CD2-CD1 3.67Å; L1047-I1099 HydrophobicContact CD2-CG1 4.22Å; L1047-F1128 HydrophobicContact CD1-CD2 3.73Å; L1047-F1128 HydrophobicContact CD1-CE2 4.11Å; L1047-F1128 HydrophobicContact CD1-CG 4.23Å; L1047-F1128 HydrophobicContact CD2-CB 4.34Å; L1047-F1128 HydrophobicContact CD2-CD1 3.76Å; L1047-F1128 HydrophobicContact CD2-CD2 3.9Å; L1047-F1128 HydrophobicContact CD2-CE1 4.03Å; L1047-F1128 HydrophobicContact CD2-CE2 4.14Å; L1047-F1128 HydrophobicContact CD2-CG 3.71Å; L1047-F1128 HydrophobicContact CD2-CZ 4.21Å |
| 1048 | I | 93.1 | Very high | 90.3 | Very high | 7 Ų | 7 | 27 Ų | 27 | 4% | 0.036 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -65.6 | -23.5 | -179 | 64.6 | 170.6 | 0 | 0 | 0 | 113.2 | Y930 I934 F1044 L1045 Q1050 L1051 P1052 F1102 | Y930-I1048 HydrophobicContact CD1-CD1 4.17Å; Y930-I1048 HydrophobicContact CG-CD1 4.15Å; I934-I1048 HydrophobicContact CD1-CD1 3.98Å; I934-I1048 HydrophobicContact CD1-CG1 3.88Å; I934-I1048 HydrophobicContact CG1-CD1 4.39Å; I934-I1048 HydrophobicContact CG1-CG1 4.33Å; F1044-I1048 HydrophobicContact CD2-CG2 4.33Å; F1044-I1048 HydrophobicContact CE1-CD1 3.97Å; F1044-I1048 HydrophobicContact CE2-CD1 4.47Å; F1044-I1048 HydrophobicContact CE2-CG2 3.81Å; F1044-I1048 HydrophobicContact CZ-CD1 3.86Å; F1044-I1048 HydrophobicContact CZ-CG2 4.21Å; F1044-I1048 PolarHBondContact O-N 2.83Å; F1044-I1048 VanDerWaalsContact O-N 3.13Å; L1045-I1048 HydrophobicContact CD1-CD1 4.02Å; L1045-I1048 HydrophobicContact CD1-CG1 4.34Å; L1045-I1048 WeakPolarHBondContact O-CG1 3.47Å; I1048-Q1050 VanDerWaalsContact C-N 3.28Å; I1048-Q1050 PolarHBondContact O-N 2.89Å; I1048-L1051 HydrophobicContact CB-CD1 4.39Å; I1048-L1051 HydrophobicContact CG2-CD1 4.13Å; I1048-P1052 VanDerWaalsContact O-CD 3.3Å; I1048-P1052 WeakPolarHBondContact O-CD 3.45Å; I1048-F1102 HydrophobicContact CG2-CD1 4.16Å; I1048-F1102 HydrophobicContact CG2-CD2 4.37Å; I1048-F1102 HydrophobicContact CG2-CE1 4.16Å; I1048-F1102 HydrophobicContact CG2-CE2 4.38Å; I1048-F1102 HydrophobicContact CG2-CG 4.27Å; I1048-F1102 HydrophobicContact CG2-CZ 4.28Å |
| 1049 | A | 91.9 | Very high | 89.7 | Confident | 10 Ų | 10 | 30.2 Ų | 30.2 | 8% | 0.083 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -71.7 | -20.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | I934 W941 L1045 F1046 L1047 | I934-A1049 HydrophobicContact CD1-CB 4.44Å; I934-A1049 HydrophobicContact CG1-CB 4.23Å; I934-A1049 HydrophobicContact CG2-CB 3.79Å; W941-A1049 HydrophobicContact CG-CB 4.36Å; L1045-A1049 VanDerWaalsContact O-CB 3.31Å; L1045-A1049 WeakPolarHBondContact O-CB 3.2Å; L1045-A1049 PolarHBondContact O-N 3.23Å; L1045-A1049 VanDerWaalsContact O-N 3.08Å; F1046-A1049 WeakPolarHBondContact O-CB 3.49Å; F1046-A1049 PolarHBondContact O-N 3.19Å; L1047-A1049 PolarHBondContact O-N 2.75Å |
| 1050 | Q | 92.3 | Very high | 88.9 | Confident | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -92.9 | -26.6 | 176.9 | -53.7 | -37.4 | -52.1 | 0 | 0 | 113.4 | L945 F1046 L1047 I1048 P1052 K1053 L1076 | L945-Q1050 HydrophobicContact CD1-CG 4.26Å; F1046-Q1050 HydrophobicContact CE2-CG 4.12Å; F1046-Q1050 HydrophobicContact CZ-CG 4.12Å; F1046-Q1050 WeakPolarHBondContact O-CG 3.37Å; F1046-Q1050 PolarHBondContact O-N 3.01Å; F1046-Q1050 PolarHBondContact O-NE2 2.86Å; L1047-Q1050 PolarHBondContact O-N 2.85Å; I1048-Q1050 VanDerWaalsContact C-N 3.28Å; I1048-Q1050 PolarHBondContact O-N 2.89Å; Q1050-P1052 VanDerWaalsContact C-CD 3.44Å; Q1050-P1052 VanDerWaalsContact C-N 3.35Å; Q1050-K1053 WeakPolarHBondContact O-CB 3.37Å; Q1050-K1053 PolarHBondContact O-N 2.98Å; Q1050-L1076 HydrophobicContact CB-CD2 4.13Å; Q1050-L1076 HydrophobicContact CG-CD1 4.47Å; Q1050-L1076 HydrophobicContact CG-CD2 4.45Å |
| 1051 | L | 90.6 | Very high | 88.4 | Confident | 2 Ų | 2 | 34.4 Ų | 34.4 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -52.9 | -40.3 | -176.9 | -60.9 | 174.7 | 0 | 0 | 0 | 114.4 | L1047 I1048 K1053 L1054 W1073 F1102 D1121 A1125 | L1047-L1051 HydrophobicContact CD1-CD2 4.3Å; L1047-L1051 WeakPolarHBondContact O-CG 3.34Å; L1047-L1051 PolarHBondContact O-N 2.85Å; I1048-L1051 HydrophobicContact CB-CD1 4.39Å; I1048-L1051 HydrophobicContact CG2-CD1 4.13Å; L1051-K1053 PolarHBondContact O-N 3.2Å; L1051-L1054 HydrophobicContact CD2-CD1 4.49Å; L1051-L1054 PolarHBondContact O-N 2.81Å; L1051-W1073 HydrophobicContact CD2-CZ3 4.25Å; L1051-F1102 HydrophobicContact CD1-CE1 4.44Å; L1051-D1121 HydrophobicContact CB-CB 4.21Å; L1051-D1121 WeakPolarHBondContact CD1-O 3.33Å; L1051-A1125 HydrophobicContact CD1-CB 4.06Å |
| 1052 | P | 88.8 | Confident | 88 | Confident | 47 Ų | 47 | 35 Ų | 35 | 31% | 0.305 | 18% | 0.179 | S | C | . | . | G | 310 helix | trans | -63.4 | -16.4 | 179.5 | -25.8 | 35.6 | 0 | 0 | 0 | 115 | I1048 Q1050 D1121 | I1048-P1052 VanDerWaalsContact O-CD 3.3Å; I1048-P1052 WeakPolarHBondContact O-CD 3.45Å; Q1050-P1052 VanDerWaalsContact C-CD 3.44Å; Q1050-P1052 VanDerWaalsContact C-N 3.35Å; P1052-D1121 WeakPolarHBondContact CA-OD1 3.45Å |
| 1053 | K | 88.5 | Confident | 87.5 | Confident | 51 Ų | 51 | 37.3 Ų | 37.3 | 22% | 0.222 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -88.2 | -5.2 | 177.9 | -56.4 | 175.7 | -176.6 | 169.4 | 0 | 112.6 | Q1050 L1051 R1065 V1071 | Q1050-K1053 WeakPolarHBondContact O-CB 3.37Å; Q1050-K1053 PolarHBondContact O-N 2.98Å; L1051-K1053 PolarHBondContact O-N 3.2Å; K1053-R1065 VanDerWaalsContact O-CB 3.23Å; K1053-R1065 WeakPolarHBondContact O-CB 3.44Å; K1053-R1065 PolarHBondContact O-N 2.75Å; K1053-V1071 HydrophobicContact CD-CG2 3.96Å |
| 1054 | L | 88.5 | Confident | 87 | Confident | 7 Ų | 7 | 38.5 Ų | 38.5 | 4% | 0.037 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 158 | -175.3 | -62 | 165 | 0 | 0 | 0 | 110.9 | L1051 M1062 V1063 V1071 W1073 L1076 | L1051-L1054 HydrophobicContact CD2-CD1 4.49Å; L1051-L1054 PolarHBondContact O-N 2.81Å; L1054-M1062 HydrophobicContact CB-CE 3.44Å; L1054-M1062 VanDerWaalsContact CB-CE 3.44Å; L1054-M1062 HydrophobicContact CD1-CE 4.07Å; L1054-M1062 HydrophobicContact CG-CE 4.35Å; L1054-V1063 CarbonylContact C-O 3.57Å; L1054-V1063 WeakPolarHBondContact CA-O 3.39Å; L1054-V1071 HydrophobicContact CD2-CB 4.41Å; L1054-V1071 HydrophobicContact CD2-CG1 3.86Å; L1054-V1071 HydrophobicContact CG-CG1 4.39Å; L1054-W1073 HydrophobicContact CD1-CE3 3.48Å; L1054-W1073 VanDerWaalsContact CD1-CE3 3.48Å; L1054-W1073 HydrophobicContact CD1-CZ3 3.62Å; L1054-L1076 HydrophobicContact CD1-CD2 4.4Å |
| 1055 | Q | 87.2 | Confident | 86.4 | Confident | 109 Ų | 109 | 46.1 Ų | 46.1 | 51% | 0.509 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 139.1 | 176.3 | 179.6 | 174.7 | -6.8 | 0 | 0 | 109.8 | V1063 R1065 | Q1055-V1063 PolarHBondContact N-O 2.88Å; Q1055-V1063 WeakPolarHBondContact O-CG2 3.37Å; Q1055-V1063 PolarHBondContact O-N 2.88Å; Q1055-R1065 HydrophobicContact CB-CB 4.5Å |
| 1056 | Y | 85.3 | Confident | 85.9 | Confident | 49 Ų | 49 | 51.9 Ų | 51.9 | 19% | 0.192 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 135 | 175.4 | 180 | -107.9 | 0 | 0 | 0 | 111.8 | K1058 M1062 V1123 L1127 L1159 | Y1056-K1058 HydrophobicContact CE1-CG 4Å; Y1056-M1062 HydrophobicContact CD2-SD 4.22Å; Y1056-V1123 HydrophobicContact CG-CG1 4.49Å; Y1056-L1127 HydrophobicContact CD2-CD1 3.36Å; Y1056-L1127 HydrophobicContact CE2-CD1 3.88Å; Y1056-L1127 HydrophobicContact CE2-CD2 4.21Å; Y1056-L1127 HydrophobicContact CG-CD1 4.08Å; Y1056-L1159 HydrophobicContact CD1-CD1 3.51Å; Y1056-L1159 HydrophobicContact CD1-CG 4.48Å; Y1056-L1159 HydrophobicContact CE1-CD1 3.71Å; Y1056-L1159 HydrophobicContact CG-CD1 4.23Å |
| 1057 | N | 83.1 | Confident | 84.7 | Confident | 61 Ų | 61 | 56 Ų | 56 | 33% | 0.326 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 129.7 | 171.7 | -175.2 | -51.4 | 0 | 0 | 0 | 109.5 | N1059 L1060 G1061 V1063 | N1057-N1059 PolarHBondContact O-N 3.33Å; N1057-N1059 PolarHBondContact OD1-N 3.49Å; N1057-L1060 HydrophobicContact CB-CB 4.26Å; N1057-L1060 PolarHBondContact O-N 3.37Å; N1057-L1060 PolarHBondContact OD1-N 2.8Å; N1057-G1061 WeakPolarHBondContact CB-O 3.23Å; N1057-G1061 PolarHBondContact N-O 2.95Å; N1057-G1061 WeakPolarHBondContact O-CA 3.45Å; N1057-G1061 PolarHBondContact O-N 3.08Å; N1057-V1063 HydrophobicContact CB-CG2 4.25Å |
| 1058 | K | 78.4 | Confident | 83.7 | Confident | 138 Ų | 138 | 61.5 Ų | 61.5 | 60% | 0.6 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -30.5 | -177.3 | -67.9 | -176.6 | 179.9 | 179.7 | 0 | 113.6 | Y1056 L1159 | Y1056-K1058 HydrophobicContact CE1-CG 4Å; K1058-L1159 WeakPolarHBondContact CE-O 3.49Å; K1058-L1159 PolarHBondContact NZ-O 2.82Å |
| 1059 | N | 77.2 | Confident | 83 | Confident | 141 Ų | 141 | 63 Ų | 63 | 75% | 0.754 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | -30.1 | -176.9 | -64.2 | -20.7 | 0 | 0 | 0 | 113.3 | N1057 | N1057-N1059 PolarHBondContact O-N 3.33Å; N1057-N1059 PolarHBondContact OD1-N 3.49Å |
| 1060 | L | 74 | Confident | 82.3 | Confident | 77 Ų | 77 | 65 Ų | 65 | 40% | 0.403 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.9 | -7.4 | -170.4 | -56.8 | 178.2 | 0 | 0 | 0 | 113.6 | I840 N1057 V1063 | I840-L1060 HydrophobicContact CD1-CD2 4.27Å; N1057-L1060 HydrophobicContact CB-CB 4.26Å; N1057-L1060 PolarHBondContact O-N 3.37Å; N1057-L1060 PolarHBondContact OD1-N 2.8Å; L1060-V1063 HydrophobicContact CB-CG1 3.96Å |
| 1061 | G | 81.3 | Confident | 82 | Confident | 18 Ų | 18 | 65 Ų | 65 | 19% | 0.186 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 76.9 | -148.8 | -171.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | N1057 V1063 | N1057-G1061 WeakPolarHBondContact CB-O 3.23Å; N1057-G1061 PolarHBondContact N-O 2.95Å; N1057-G1061 WeakPolarHBondContact O-CA 3.45Å; N1057-G1061 PolarHBondContact O-N 3.08Å; G1061-V1063 PolarHBondContact O-N 3.12Å |
| 1062 | M | 84.7 | Confident | 81.9 | Confident | 16 Ų | 16 | 65.4 Ų | 65.4 | 8% | 0.079 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 123.5 | 178.4 | -74.1 | -63.3 | -78.9 | 0 | 0 | 111 | L1054 Y1056 W1073 L1127 | L1054-M1062 HydrophobicContact CB-CE 3.44Å; L1054-M1062 VanDerWaalsContact CB-CE 3.44Å; L1054-M1062 HydrophobicContact CD1-CE 4.07Å; L1054-M1062 HydrophobicContact CG-CE 4.35Å; Y1056-M1062 HydrophobicContact CD2-SD 4.22Å; M1062-W1073 HydrophobicContact CB-CB 3.8Å; M1062-W1073 HydrophobicContact CB-CD2 3.53Å; M1062-W1073 HydrophobicContact CB-CE3 4.07Å; M1062-W1073 HydrophobicContact CB-CG 3.42Å; M1062-W1073 VanDerWaalsContact CB-CG 3.42Å; M1062-W1073 HydrophobicContact CE-CE3 4.44Å; M1062-W1073 HydrophobicContact CE-CZ3 4.26Å; M1062-W1073 HydrophobicContact CG-CD2 3.9Å; M1062-W1073 HydrophobicContact CG-CE3 4.3Å; M1062-W1073 HydrophobicContact CG-CG 4.25Å; M1062-W1073 HydrophobicContact CG-CH2 4.42Å; M1062-W1073 HydrophobicContact CG-CZ2 4.09Å; M1062-W1073 WeakPolarHBondContact O-CB 3.36Å; M1062-L1127 HydrophobicContact CG-CB 4.32Å; M1062-L1127 HydrophobicContact CG-CD1 3.55Å; M1062-L1127 HydrophobicContact SD-CD1 3.46Å; M1062-L1127 WeakPolarHBondContact SD-CD1 3.41Å |
| 1063 | V | 83.2 | Confident | 82 | Confident | 48 Ų | 48 | 63.7 Ų | 63.7 | 29% | 0.291 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 159.3 | 179 | -64.4 | 0 | 0 | 0 | 0 | 110.8 | L1054 Q1055 N1057 L1060 G1061 | L1054-V1063 CarbonylContact C-O 3.57Å; L1054-V1063 WeakPolarHBondContact CA-O 3.39Å; Q1055-V1063 PolarHBondContact N-O 2.88Å; Q1055-V1063 WeakPolarHBondContact O-CG2 3.37Å; Q1055-V1063 PolarHBondContact O-N 2.88Å; N1057-V1063 HydrophobicContact CB-CG2 4.25Å; L1060-V1063 HydrophobicContact CB-CG1 3.96Å; G1061-V1063 PolarHBondContact O-N 3.12Å |
| 1064 | C | 84.1 | Confident | 82.2 | Confident | 26 Ų | 26 | 61.6 Ų | 61.6 | 18% | 0.176 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 136.5 | 175.6 | -161.8 | 0 | 0 | 0 | 0 | 111.2 | M849 K1066 D1069 V1071 | M849-C1064 HydrophobicContact CE-CB 3.77Å; C1064-K1066 PolarHBondContact SG-O 3.07Å; C1064-D1069 WeakPolarHBondContact SG-CB 3.49Å; C1064-D1069 PolarHBondContact SG-O 3.15Å; C1064-V1071 WeakPolarHBondContact CB-O 3.44Å |
| 1065 | R | 81.7 | Confident | 82.4 | Confident | 160 Ų | 160 | 61.4 Ų | 61.4 | 60% | 0.604 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -72.7 | -32.4 | -177 | -169.9 | 176.2 | -177.6 | 177.8 | 3.8 | 112.4 | K1053 Q1055 | K1053-R1065 VanDerWaalsContact O-CB 3.23Å; K1053-R1065 WeakPolarHBondContact O-CB 3.44Å; K1053-R1065 PolarHBondContact O-N 2.75Å; Q1055-R1065 HydrophobicContact CB-CB 4.5Å |
| 1066 | K | 81.1 | Confident | 82.8 | Confident | 121 Ų | 121 | 56.2 Ų | 56.2 | 53% | 0.526 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -127.5 | 135.3 | 174.2 | -61.6 | 180 | -179.2 | 176.2 | 0 | 109.8 | C1064 T1068 D1069 | C1064-K1066 PolarHBondContact SG-O 3.07Å; K1066-T1068 PolarHBondContact O-N 3.29Å; K1066-D1069 PolarHBondContact O-N 3.2Å |
| 1067 | P | 70.4 | Confident | 83.2 | Confident | 85 Ų | 85 | 53.9 Ų | 53.9 | 55% | 0.552 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -15.7 | 175.9 | -24.3 | 33.6 | 0 | 0 | 0 | 114.8 | ||
| 1068 | T | 72.1 | Confident | 83.8 | Confident | 118 Ų | 118 | 51 Ų | 51 | 72% | 0.724 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | -14.9 | 176.4 | 54.1 | 0 | 0 | 0 | 0 | 113.7 | K1066 | K1066-T1068 PolarHBondContact O-N 3.29Š|
| 1069 | D | 79.4 | Confident | 84.6 | Confident | 39 Ų | 39 | 44.4 Ų | 44.4 | 21% | 0.209 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -84 | 121.6 | 180 | -70.9 | -27.3 | 0 | 0 | 0 | 108.5 | C1064 K1066 V1071 | C1064-D1069 WeakPolarHBondContact SG-CB 3.49Å; C1064-D1069 PolarHBondContact SG-O 3.15Å; K1066-D1069 PolarHBondContact O-N 3.2Å; D1069-V1071 PolarHBondContact O-N 3.46Å |
| 1070 | P | 76.6 | Confident | 85.4 | Confident | 52 Ų | 52 | 37.7 Ų | 37.7 | 34% | 0.338 | 20% | 0.202 | S | C | . | . | trans | -83 | 55.4 | -170.5 | 35.1 | -37.9 | 0 | 0 | 0 | 111.7 | K835 L945 | K835-P1070 HydrophobicContact CB-CB 4.47Å; K835-P1070 HydrophobicContact CG-CB 4.14Å; L945-P1070 HydrophobicContact CD2-CG 4.46Å | ||
| 1071 | V | 86.4 | Confident | 86.4 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | trans | -126.7 | 124 | -177.3 | -171 | 0 | 0 | 0 | 0 | 109.6 | L945 K1053 L1054 C1064 D1069 L1076 | L945-V1071 HydrophobicContact CD1-CG2 4.43Å; L945-V1071 HydrophobicContact CD2-CG2 3.85Å; K1053-V1071 HydrophobicContact CD-CG2 3.96Å; L1054-V1071 HydrophobicContact CD2-CB 4.41Å; L1054-V1071 HydrophobicContact CD2-CG1 3.86Å; L1054-V1071 HydrophobicContact CG-CG1 4.39Å; C1064-V1071 WeakPolarHBondContact CB-O 3.44Å; D1069-V1071 PolarHBondContact O-N 3.46Å; V1071-L1076 HydrophobicContact CG1-CD2 4.14Å | ||
| 1072 | D | 88.3 | Confident | 87 | Confident | 10 Ų | 10 | 33.6 Ų | 33.6 | 5% | 0.053 | 18% | 0.176 | C | C | . | . | trans | -118.1 | 135.7 | 170 | -177.1 | 25.1 | 0 | 0 | 0 | 109.1 | P834 C838 H839 M949 P1074 P1075 L1076 | P834-D1072 HydrophobicContact CB-CB 4.27Å; C838-D1072 WeakPolarHBondContact CA-OD2 3.39Å; H839-D1072 PolarHBondContact N-OD2 2.99Å; M949-D1072 HydrophobicContact CE-CB 3.67Å; M949-D1072 VanDerWaalsContact CE-N 3.26Å; M949-D1072 VanDerWaalsContact CE-O 3.3Å; M949-D1072 WeakPolarHBondContact CE-O 3.33Å; D1072-P1074 WeakPolarHBondContact OD1-CD 3.22Å; D1072-P1075 HydrophobicContact CB-CG 4Å; D1072-P1075 VanDerWaalsContact CG-CD 3.49Å; D1072-P1075 WeakPolarHBondContact OD2-CD 3.46Å; D1072-P1075 VanDerWaalsContact OD2-CG 3.28Å; D1072-P1075 WeakPolarHBondContact OD2-CG 3.43Å; D1072-L1076 WeakPolarHBondContact O-CB 3.49Å; D1072-L1076 PolarHBondContact O-N 3.37Å | ||
| 1073 | W | 91.1 | Very high | 87.4 | Confident | 11 Ų | 11 | 32.9 Ų | 32.9 | 4% | 0.042 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -70.6 | -53.8 | -167 | 174 | -103.3 | 0 | 0 | 0 | 113.2 | L1051 L1054 M1062 L1076 V1077 G1124 L1127 F1128 D1131 | L1051-W1073 HydrophobicContact CD2-CZ3 4.25Å; L1054-W1073 HydrophobicContact CD1-CE3 3.48Å; L1054-W1073 VanDerWaalsContact CD1-CE3 3.48Å; L1054-W1073 HydrophobicContact CD1-CZ3 3.62Å; M1062-W1073 HydrophobicContact CB-CB 3.8Å; M1062-W1073 HydrophobicContact CB-CD2 3.53Å; M1062-W1073 HydrophobicContact CB-CE3 4.07Å; M1062-W1073 HydrophobicContact CB-CG 3.42Å; M1062-W1073 VanDerWaalsContact CB-CG 3.42Å; M1062-W1073 HydrophobicContact CE-CE3 4.44Å; M1062-W1073 HydrophobicContact CE-CZ3 4.26Å; M1062-W1073 HydrophobicContact CG-CD2 3.9Å; M1062-W1073 HydrophobicContact CG-CE3 4.3Å; M1062-W1073 HydrophobicContact CG-CG 4.25Å; M1062-W1073 HydrophobicContact CG-CH2 4.42Å; M1062-W1073 HydrophobicContact CG-CZ2 4.09Å; M1062-W1073 WeakPolarHBondContact O-CB 3.36Å; W1073-L1076 HydrophobicContact CE3-CD2 4.43Å; W1073-L1076 WeakPolarHBondContact O-CB 3.44Å; W1073-L1076 PolarHBondContact O-N 3.15Å; W1073-L1076 VanDerWaalsContact O-N 3.13Å; W1073-V1077 HydrophobicContact CD2-CG2 3.82Å; W1073-V1077 HydrophobicContact CE3-CG2 4.23Å; W1073-V1077 HydrophobicContact CG-CG2 4.35Å; W1073-V1077 HydrophobicContact CH2-CG2 4.22Å; W1073-V1077 HydrophobicContact CZ2-CG2 3.74Å; W1073-V1077 HydrophobicContact CZ3-CG2 4.42Å; W1073-V1077 WeakPolarHBondContact O-CG2 3.45Å; W1073-V1077 PolarHBondContact O-N 3.03Å; W1073-G1124 WeakPolarHBondContact CH2-O 3.45Å; W1073-L1127 HydrophobicContact CZ2-CB 4.05Å; W1073-F1128 HydrophobicContact CH2-CB 3.8Å; W1073-F1128 HydrophobicContact CH2-CD2 4.42Å; W1073-F1128 HydrophobicContact CZ2-CB 4.17Å; W1073-D1131 PolarHBondContact NE1-OD2 3.04Å |
| 1074 | P | 92.1 | Very high | 87.9 | Confident | 8 Ų | 8 | 30.6 Ų | 30.6 | 5% | 0.052 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.5 | -44.3 | -178.6 | -22.3 | 34 | 0 | 0 | 0 | 113.8 | H839 D841 I956 D1072 L1076 V1077 L1078 | H839-P1074 WeakPolarHBondContact O-CG 3.49Å; D841-P1074 WeakPolarHBondContact OD1-CB 3.45Å; D841-P1074 WeakPolarHBondContact OD1-CG 3.48Å; I956-P1074 HydrophobicContact CD1-CB 4Å; D1072-P1074 WeakPolarHBondContact OD1-CD 3.22Å; P1074-L1076 VanDerWaalsContact C-N 3.34Å; P1074-L1076 PolarHBondContact O-N 2.9Å; P1074-V1077 PolarHBondContact O-N 2.98Å; P1074-L1078 WeakPolarHBondContact O-CB 3.49Å; P1074-L1078 WeakPolarHBondContact O-CG 3.24Å; P1074-L1078 PolarHBondContact O-N 3.47Å |
| 1075 | P | 93.7 | Very high | 88.3 | Confident | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.013 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.6 | -37.3 | 174.7 | -19.7 | 29.6 | 0 | 0 | 0 | 112.9 | P834 M949 G952 I956 D1072 V1077 G1079 | P834-P1075 HydrophobicContact CB-CG 4.47Å; P834-P1075 HydrophobicContact CG-CB 4.38Å; P834-P1075 HydrophobicContact CG-CG 4.34Å; M949-P1075 HydrophobicContact CE-CB 3.61Å; M949-P1075 HydrophobicContact CE-CG 4.02Å; M949-P1075 HydrophobicContact SD-CB 4.2Å; G952-P1075 VanDerWaalsContact CA-O 3.26Å; G952-P1075 WeakPolarHBondContact CA-O 3.31Å; I956-P1075 HydrophobicContact CD1-CB 4.3Å; I956-P1075 HydrophobicContact CD1-CG 3.7Å; D1072-P1075 HydrophobicContact CB-CG 4Å; D1072-P1075 VanDerWaalsContact CG-CD 3.49Å; D1072-P1075 WeakPolarHBondContact OD2-CD 3.46Å; D1072-P1075 VanDerWaalsContact OD2-CG 3.28Å; D1072-P1075 WeakPolarHBondContact OD2-CG 3.43Å; P1075-V1077 PolarHBondContact O-N 3.23Å; P1075-G1079 PolarHBondContact O-N 2.94Å |
| 1076 | L | 94.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.6 | -47.7 | 177 | -180 | 65.7 | 0 | 0 | 0 | 111.4 | L945 I948 M949 F1046 Q1050 L1054 V1071 D1072 W1073 P1074 L1080 | L945-L1076 HydrophobicContact CD1-CD1 3.95Å; I948-L1076 HydrophobicContact CG2-CD1 4.05Å; M949-L1076 HydrophobicContact SD-CB 3.74Å; M949-L1076 HydrophobicContact SD-CD1 4.29Å; F1046-L1076 HydrophobicContact CE1-CD1 3.72Å; F1046-L1076 HydrophobicContact CZ-CD1 3.81Å; Q1050-L1076 HydrophobicContact CB-CD2 4.13Å; Q1050-L1076 HydrophobicContact CG-CD1 4.47Å; Q1050-L1076 HydrophobicContact CG-CD2 4.45Å; L1054-L1076 HydrophobicContact CD1-CD2 4.4Å; V1071-L1076 HydrophobicContact CG1-CD2 4.14Å; D1072-L1076 WeakPolarHBondContact O-CB 3.49Å; D1072-L1076 PolarHBondContact O-N 3.37Å; W1073-L1076 HydrophobicContact CE3-CD2 4.43Å; W1073-L1076 WeakPolarHBondContact O-CB 3.44Å; W1073-L1076 PolarHBondContact O-N 3.15Å; W1073-L1076 VanDerWaalsContact O-N 3.13Å; P1074-L1076 VanDerWaalsContact C-N 3.34Å; P1074-L1076 PolarHBondContact O-N 2.9Å; L1076-L1080 HydrophobicContact CD1-CD1 4.42Å; L1076-L1080 PolarHBondContact O-N 2.99Å; L1076-L1080 VanDerWaalsContact O-N 3.13Å |
| 1077 | V | 94 | Very high | 89.4 | Confident | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -65.2 | -50.5 | -178.6 | 178.1 | 0 | 0 | 0 | 0 | 110.7 | W1073 P1074 P1075 G1079 L1080 L1081 F1128 D1131 Y1135 | W1073-V1077 HydrophobicContact CD2-CG2 3.82Å; W1073-V1077 HydrophobicContact CE3-CG2 4.23Å; W1073-V1077 HydrophobicContact CG-CG2 4.35Å; W1073-V1077 HydrophobicContact CH2-CG2 4.22Å; W1073-V1077 HydrophobicContact CZ2-CG2 3.74Å; W1073-V1077 HydrophobicContact CZ3-CG2 4.42Å; W1073-V1077 WeakPolarHBondContact O-CG2 3.45Å; W1073-V1077 PolarHBondContact O-N 3.03Å; P1074-V1077 PolarHBondContact O-N 2.98Å; P1075-V1077 PolarHBondContact O-N 3.23Å; V1077-G1079 VanDerWaalsContact C-N 3.34Å; V1077-G1079 PolarHBondContact O-N 2.95Å; V1077-L1080 PolarHBondContact O-N 3Å; V1077-L1081 HydrophobicContact CG1-CD1 3.76Å; V1077-L1081 HydrophobicContact CG1-CG 4.45Å; V1077-L1081 WeakPolarHBondContact O-CB 3.33Å; V1077-L1081 VanDerWaalsContact O-CG 3.32Å; V1077-L1081 WeakPolarHBondContact O-CG 3.3Å; V1077-L1081 PolarHBondContact O-N 3.01Å; V1077-F1128 HydrophobicContact CB-CE2 4.47Å; V1077-F1128 HydrophobicContact CG1-CD2 4.37Å; V1077-F1128 HydrophobicContact CG1-CE2 4.21Å; V1077-F1128 HydrophobicContact CG2-CD2 3.97Å; V1077-F1128 HydrophobicContact CG2-CE2 4.33Å; V1077-D1131 HydrophobicContact CG1-CB 4.1Å; V1077-Y1135 HydrophobicContact CB-CE2 4.42Å; V1077-Y1135 HydrophobicContact CG1-CD2 3.89Å; V1077-Y1135 HydrophobicContact CG1-CE2 3.86Å |
| 1078 | L | 94.9 | Very high | 90.3 | Very high | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.005 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -68 | -32.7 | -178.1 | -68 | 175.3 | 0 | 0 | 0 | 113 | I956 L1026 P1074 L1081 T1082 Y1135 | I956-L1078 HydrophobicContact CD1-CD1 4.1Å; I956-L1078 HydrophobicContact CG1-CD1 3.31Å; L1026-L1078 HydrophobicContact CD1-CD2 3.62Å; L1026-L1078 HydrophobicContact CD2-CD2 3.87Å; L1026-L1078 HydrophobicContact CG-CD2 4.4Å; P1074-L1078 WeakPolarHBondContact O-CB 3.49Å; P1074-L1078 WeakPolarHBondContact O-CG 3.24Å; P1074-L1078 PolarHBondContact O-N 3.47Å; L1078-L1081 HydrophobicContact CD2-CD1 3.94Å; L1078-T1082 VanDerWaalsContact O-CB 3.31Å; L1078-T1082 WeakPolarHBondContact O-CB 3.38Å; L1078-T1082 PolarHBondContact O-N 2.88Å; L1078-T1082 PolarHBondContact O-OG1 2.9Å; L1078-Y1135 HydrophobicContact CD2-CD1 3.78Å; L1078-Y1135 HydrophobicContact CD2-CD2 3.72Å; L1078-Y1135 HydrophobicContact CD2-CE1 4.07Å; L1078-Y1135 HydrophobicContact CD2-CE2 4Å; L1078-Y1135 HydrophobicContact CD2-CG 3.6Å; L1078-Y1135 HydrophobicContact CG-CD2 4.44Å; L1078-Y1135 HydrophobicContact CG-CE2 4.27Å |
| 1079 | G | 95.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -64.6 | -47.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | I948 P1075 V1077 T1082 L1083 | I948-G1079 WeakPolarHBondContact O-CA 3.48Å; P1075-G1079 PolarHBondContact O-N 2.94Å; V1077-G1079 VanDerWaalsContact C-N 3.34Å; V1077-G1079 PolarHBondContact O-N 2.95Å; G1079-T1082 PolarHBondContact O-N 3.03Å; G1079-L1083 WeakPolarHBondContact O-CB 3.36Å; G1079-L1083 PolarHBondContact O-N 3.28Å |
| 1080 | L | 94.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64.8 | -42.9 | 175.9 | -79.7 | 170.9 | 0 | 0 | 0 | 112.3 | I948 F1046 L1047 L1076 V1077 T1082 L1083 L1084 F1128 | I948-L1080 HydrophobicContact CD1-CD2 4.3Å; I948-L1080 HydrophobicContact CG2-CG 4.06Å; F1046-L1080 HydrophobicContact CD1-CD1 4.2Å; F1046-L1080 HydrophobicContact CD1-CD2 3.8Å; F1046-L1080 HydrophobicContact CD1-CG 4.4Å; F1046-L1080 HydrophobicContact CE1-CD1 4.06Å; F1046-L1080 HydrophobicContact CE1-CD2 3.93Å; F1046-L1080 HydrophobicContact CE1-CG 4.14Å; L1047-L1080 HydrophobicContact CB-CD1 4.31Å; L1047-L1080 HydrophobicContact CD1-CD1 4.07Å; L1076-L1080 HydrophobicContact CD1-CD1 4.42Å; L1076-L1080 PolarHBondContact O-N 2.99Å; L1076-L1080 VanDerWaalsContact O-N 3.13Å; V1077-L1080 PolarHBondContact O-N 3Å; L1080-T1082 PolarHBondContact O-N 3.4Å; L1080-L1083 PolarHBondContact O-N 3.06Å; L1080-L1084 WeakPolarHBondContact O-CB 3.44Å; L1080-L1084 VanDerWaalsContact O-CG 3.3Å; L1080-L1084 WeakPolarHBondContact O-CG 3.45Å; L1080-L1084 PolarHBondContact O-N 3.37Å; L1080-F1128 HydrophobicContact CB-CE2 4.33Å; L1080-F1128 HydrophobicContact CB-CZ 4.38Å; L1080-F1128 HydrophobicContact CD1-CE2 3.89Å; L1080-F1128 HydrophobicContact CD1-CZ 4.35Å |
| 1081 | L | 94.5 | Very high | 92.3 | Very high | 8 Ų | 8 | 26 Ų | 26 | 4% | 0.042 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -55 | -51.8 | 173.9 | -85 | 166.1 | 0 | 0 | 0 | 111.6 | V1077 L1078 L1083 L1084 K1085 Y1132 Y1135 T1136 | V1077-L1081 HydrophobicContact CG1-CD1 3.76Å; V1077-L1081 HydrophobicContact CG1-CG 4.45Å; V1077-L1081 WeakPolarHBondContact O-CB 3.33Å; V1077-L1081 VanDerWaalsContact O-CG 3.32Å; V1077-L1081 WeakPolarHBondContact O-CG 3.3Å; V1077-L1081 PolarHBondContact O-N 3.01Å; L1078-L1081 HydrophobicContact CD2-CD1 3.94Å; L1081-L1083 VanDerWaalsContact C-N 3.34Å; L1081-L1083 PolarHBondContact O-N 3.42Å; L1081-L1084 PolarHBondContact O-N 3.18Å; L1081-K1085 WeakPolarHBondContact O-CB 3.43Å; L1081-K1085 PolarHBondContact O-N 2.93Å; L1081-Y1132 HydrophobicContact CD2-CD1 4.28Å; L1081-Y1132 HydrophobicContact CD2-CD2 3.23Å; L1081-Y1132 HydrophobicContact CD2-CE1 4.21Å; L1081-Y1132 HydrophobicContact CD2-CE2 3.17Å; L1081-Y1132 HydrophobicContact CD2-CG 3.78Å; L1081-Y1132 HydrophobicContact CG-CD2 3.94Å; L1081-Y1132 HydrophobicContact CG-CE2 4.11Å; L1081-Y1135 HydrophobicContact CD1-CD2 3.8Å; L1081-Y1135 HydrophobicContact CD1-CG 4.19Å; L1081-T1136 HydrophobicContact CD2-CG2 3.4Å |
| 1082 | T | 94.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.4 | -46.4 | -179.8 | -62.2 | 0 | 0 | 0 | 0 | 110.7 | V951 Q955 Y1030 L1078 G1079 L1080 K1085 Q1086 | V951-T1082 HydrophobicContact CG1-CG2 3.66Å; Q955-T1082 HydrophobicContact CG-CG2 4.32Å; Q955-T1082 WeakPolarHBondContact CG-OG1 3.44Å; Q955-T1082 VanDerWaalsContact NE2-CG2 3.26Å; Q955-T1082 PolarHBondContact NE2-OG1 3.44Å; Y1030-T1082 HydrophobicContact CD2-CG2 4.29Å; Y1030-T1082 HydrophobicContact CE2-CG2 3.88Å; L1078-T1082 VanDerWaalsContact O-CB 3.31Å; L1078-T1082 WeakPolarHBondContact O-CB 3.38Å; L1078-T1082 PolarHBondContact O-N 2.88Å; L1078-T1082 PolarHBondContact O-OG1 2.9Å; G1079-T1082 PolarHBondContact O-N 3.03Å; L1080-T1082 PolarHBondContact O-N 3.4Å; T1082-K1085 PolarHBondContact O-N 3.36Å; T1082-Q1086 VanDerWaalsContact O-CG 3.27Å; T1082-Q1086 WeakPolarHBondContact O-CG 3.27Å; T1082-Q1086 PolarHBondContact O-N 3.23Å; T1082-Q1086 PolarHBondContact O-NE2 3.49Å |
| 1083 | L | 94.3 | Very high | 92.6 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61 | -49.2 | 179.5 | 177.1 | 63.3 | 0 | 0 | 0 | 111.8 | L888 F891 I948 F1039 N1043 G1079 L1080 L1081 K1085 Q1086 F1087 | L888-L1083 HydrophobicContact CD2-CD1 3.93Å; F891-L1083 HydrophobicContact CD1-CD1 3.74Å; F891-L1083 HydrophobicContact CD1-CD2 4.39Å; F891-L1083 HydrophobicContact CE1-CD1 3.64Å; F891-L1083 HydrophobicContact CE1-CD2 3.72Å; F891-L1083 HydrophobicContact CE1-CG 4.33Å; F891-L1083 HydrophobicContact CE2-CD2 3.92Å; F891-L1083 HydrophobicContact CG-CD1 4.47Å; F891-L1083 HydrophobicContact CZ-CD1 4.24Å; F891-L1083 HydrophobicContact CZ-CD2 3.45Å; F891-L1083 VanDerWaalsContact CZ-CD2 3.45Å; F891-L1083 HydrophobicContact CZ-CG 4.5Å; I948-L1083 HydrophobicContact CD1-CB 4.24Å; I948-L1083 HydrophobicContact CD1-CD2 3.55Å; I948-L1083 HydrophobicContact CD1-CG 4.47Å; F1039-L1083 HydrophobicContact CE2-CD1 4.38Å; F1039-L1083 HydrophobicContact CE2-CD2 4.26Å; F1039-L1083 HydrophobicContact CE2-CG 4.32Å; F1039-L1083 HydrophobicContact CZ-CD1 4.18Å; F1039-L1083 HydrophobicContact CZ-CD2 4.19Å; F1039-L1083 HydrophobicContact CZ-CG 3.88Å; N1043-L1083 WeakPolarHBondContact OD1-CD2 3.49Å; G1079-L1083 WeakPolarHBondContact O-CB 3.36Å; G1079-L1083 PolarHBondContact O-N 3.28Å; L1080-L1083 PolarHBondContact O-N 3.06Å; L1081-L1083 VanDerWaalsContact C-N 3.34Å; L1081-L1083 PolarHBondContact O-N 3.42Å; L1083-K1085 VanDerWaalsContact C-N 3.28Å; L1083-K1085 PolarHBondContact O-N 3.17Å; L1083-Q1086 WeakPolarHBondContact O-CB 3.31Å; L1083-Q1086 PolarHBondContact O-N 3.21Å; L1083-F1087 HydrophobicContact CD1-CE2 4.13Å; L1083-F1087 WeakPolarHBondContact O-CD2 3.34Å |
| 1084 | L | 92.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.8 | -37.2 | 179.6 | -72.2 | 167.3 | 0 | 0 | 0 | 112 | F1039 L1080 L1081 Q1086 F1087 F1095 Y1132 | F1039-L1084 HydrophobicContact CE1-CD2 4.05Å; L1080-L1084 WeakPolarHBondContact O-CB 3.44Å; L1080-L1084 VanDerWaalsContact O-CG 3.3Å; L1080-L1084 WeakPolarHBondContact O-CG 3.45Å; L1080-L1084 PolarHBondContact O-N 3.37Å; L1081-L1084 PolarHBondContact O-N 3.18Å; L1084-Q1086 PolarHBondContact O-N 3.03Å; L1084-F1087 PolarHBondContact O-N 2.73Å; L1084-F1087 VanDerWaalsContact O-N 3.16Å; L1084-F1095 HydrophobicContact CD1-CD1 3.43Å; L1084-F1095 VanDerWaalsContact CD1-CD1 3.43Å; L1084-F1095 HydrophobicContact CD1-CE1 3.41Å; L1084-F1095 VanDerWaalsContact CD1-CE1 3.41Å; L1084-F1095 HydrophobicContact CD1-CG 4.03Å; L1084-F1095 HydrophobicContact CD1-CZ 4.01Å; L1084-F1095 HydrophobicContact CD2-CB 4.28Å; L1084-F1095 HydrophobicContact CD2-CD1 4.39Å; L1084-F1095 HydrophobicContact CD2-CG 4.2Å; L1084-Y1132 HydrophobicContact CD1-CE2 4.22Å |
| 1085 | K | 92.5 | Very high | 92.7 | Very high | 92 Ų | 92 | 33.6 Ų | 33.6 | 40% | 0.4 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -62.8 | -24.9 | 178.8 | -168.6 | 67.3 | 176.3 | -170.4 | 0 | 113.4 | I1029 L1081 T1082 L1083 F1087 | I1029-K1085 HydrophobicContact CD1-CG 4.1Å; I1029-K1085 WeakPolarHBondContact CD1-O 3.45Å; L1081-K1085 WeakPolarHBondContact O-CB 3.43Å; L1081-K1085 PolarHBondContact O-N 2.93Å; T1082-K1085 PolarHBondContact O-N 3.36Å; L1083-K1085 VanDerWaalsContact C-N 3.28Å; L1083-K1085 PolarHBondContact O-N 3.17Å; K1085-F1087 PolarHBondContact O-N 3.31Å |
| 1086 | Q | 92.9 | Very high | 92.6 | Very high | 7 Ų | 7 | 33.8 Ų | 33.8 | 3% | 0.033 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -9.7 | 178.3 | -50.6 | -45.8 | -61.9 | 0 | 0 | 113.7 | L888 K1028 I1031 T1033 T1082 L1083 L1084 | L888-Q1086 HydrophobicContact CD1-CG 3.98Å; K1028-Q1086 PolarHBondContact O-NE2 3.32Å; I1031-Q1086 HydrophobicContact CD1-CB 4.4Å; I1031-Q1086 HydrophobicContact CG1-CB 4.03Å; I1031-Q1086 HydrophobicContact CG1-CG 4.09Å; T1033-Q1086 HydrophobicContact CG2-CB 4.18Å; T1033-Q1086 VanDerWaalsContact CG2-O 3.32Å; T1033-Q1086 WeakPolarHBondContact CG2-O 3.5Å; T1033-Q1086 PolarHBondContact OG1-O 2.91Å; T1082-Q1086 VanDerWaalsContact O-CG 3.27Å; T1082-Q1086 WeakPolarHBondContact O-CG 3.27Å; T1082-Q1086 PolarHBondContact O-N 3.23Å; T1082-Q1086 PolarHBondContact O-NE2 3.49Å; L1083-Q1086 WeakPolarHBondContact O-CB 3.31Å; L1083-Q1086 PolarHBondContact O-N 3.21Å; L1084-Q1086 PolarHBondContact O-N 3.03Å |
| 1087 | F | 92.4 | Very high | 92.4 | Very high | 14 Ų | 14 | 34.4 Ų | 34.4 | 6% | 0.061 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -113 | 165 | -178.5 | -69.7 | -94.7 | 0 | 0 | 0 | 110.9 | L892 T1033 L1036 F1039 L1083 L1084 K1085 S1089 Y1091 | L892-F1087 HydrophobicContact CD2-CZ 3.81Å; T1033-F1087 HydrophobicContact CG2-CD1 4.13Å; T1033-F1087 HydrophobicContact CG2-CD2 4.25Å; T1033-F1087 HydrophobicContact CG2-CE1 3.79Å; T1033-F1087 HydrophobicContact CG2-CE2 3.91Å; T1033-F1087 HydrophobicContact CG2-CG 4.35Å; T1033-F1087 HydrophobicContact CG2-CZ 3.68Å; L1036-F1087 HydrophobicContact CB-CE1 4.25Å; L1036-F1087 HydrophobicContact CD1-CE1 3.52Å; L1036-F1087 HydrophobicContact CD1-CZ 3.44Å; L1036-F1087 VanDerWaalsContact CD1-CZ 3.44Å; L1036-F1087 HydrophobicContact CG-CE1 3.81Å; L1036-F1087 HydrophobicContact CG-CZ 4.24Å; F1039-F1087 HydrophobicContact CD1-CD1 4.44Å; F1039-F1087 HydrophobicContact CD1-CD2 4.33Å; F1039-F1087 HydrophobicContact CD1-CG 4.25Å; F1039-F1087 HydrophobicContact CD2-CE2 4.43Å; F1039-F1087 HydrophobicContact CD2-CZ 4.26Å; F1039-F1087 HydrophobicContact CE1-CB 4.21Å; F1039-F1087 HydrophobicContact CE1-CD1 4.3Å; F1039-F1087 AromaticContact CE1-CD2 3.44Å; F1039-F1087 HydrophobicContact CE1-CD2 3.44Å; F1039-F1087 VanDerWaalsContact CE1-CD2 3.44Å; F1039-F1087 AromaticContact CE1-CE2 3.8Å; F1039-F1087 HydrophobicContact CE1-CE2 3.8Å; F1039-F1087 AromaticContact CE1-CG 3.72Å; F1039-F1087 HydrophobicContact CE1-CG 3.72Å; F1039-F1087 HydrophobicContact CE1-CZ 4.35Å; F1039-F1087 HydrophobicContact CE2-CD2 4.14Å; F1039-F1087 AromaticContact CE2-CE2 3.59Å; F1039-F1087 HydrophobicContact CE2-CE2 3.59Å; F1039-F1087 AromaticContact CE2-CZ 3.79Å; F1039-F1087 HydrophobicContact CE2-CZ 3.79Å; F1039-F1087 AromaticContact CZ-CD2 3.32Å; F1039-F1087 HydrophobicContact CZ-CD2 3.32Å; F1039-F1087 HydrophobicContact CZ-CE1 4.47Å; F1039-F1087 AromaticContact CZ-CE2 3.2Å; F1039-F1087 HydrophobicContact CZ-CE2 3.2Å; F1039-F1087 HydrophobicContact CZ-CG 4.03Å; F1039-F1087 AromaticContact CZ-CZ 3.83Å; F1039-F1087 HydrophobicContact CZ-CZ 3.83Å; L1083-F1087 HydrophobicContact CD1-CE2 4.13Å; L1083-F1087 WeakPolarHBondContact O-CD2 3.34Å; L1084-F1087 PolarHBondContact O-N 2.73Å; L1084-F1087 VanDerWaalsContact O-N 3.16Å; K1085-F1087 PolarHBondContact O-N 3.31Å; F1087-S1089 PolarHBondContact O-N 3.49Å; F1087-Y1091 HydrophobicContact CB-CD2 3.71Å; F1087-Y1091 HydrophobicContact CB-CE2 4.33Å; F1087-Y1091 HydrophobicContact CB-CG 4.41Å; F1087-Y1091 HydrophobicContact CD1-CD2 4.38Å; F1087-Y1091 HydrophobicContact CD1-CE2 4.24Å; F1087-Y1091 HydrophobicContact CG-CD2 4.45Å |
| 1088 | H | 90.6 | Very high | 92.3 | Very high | 130 Ų | 130 | 34.5 Ų | 34.5 | 60% | 0.602 | 16% | 0.163 | S | C | * | . | trans | -54.3 | 138.4 | 176.6 | -169.1 | -71.8 | 0 | 0 | 0 | 111.7 | R1090 Y1091 | H1088-R1090 PolarHBondContact ND1-N 2.95Å; H1088-R1090 PolarHBondContact O-N 3.24Å; H1088-Y1091 HydrophobicContact CB-CD2 4.09Å; H1088-Y1091 HydrophobicContact CB-CE2 4.33Å; H1088-Y1091 WeakPolarHBondContact O-CB 3.35Å; H1088-Y1091 WeakPolarHBondContact O-CD2 3.46Å; H1088-Y1091 PolarHBondContact O-N 2.97Å | ||
| 1089 | S | 89 | Confident | 92.2 | Very high | 71 Ų | 71 | 34.5 Ų | 34.5 | 50% | 0.497 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -48.2 | -38.9 | -175.4 | 56.3 | 0 | 0 | 0 | 0 | 114.6 | F1087 Y1091 T1092 E1093 | F1087-S1089 PolarHBondContact O-N 3.49Å; S1089-Y1091 PolarHBondContact O-N 3.41Å; S1089-Y1091 VanDerWaalsContact O-N 3.13Å; S1089-T1092 WeakPolarHBondContact O-CA 3.13Å; S1089-T1092 VanDerWaalsContact O-CB 3.23Å; S1089-T1092 WeakPolarHBondContact O-CB 3.36Å; S1089-T1092 PolarHBondContact O-N 3.5Å; S1089-E1093 PolarHBondContact O-N 3.25Å |
| 1090 | R | 89.2 | Confident | 92 | Very high | 161 Ų | 161 | 34.6 Ų | 34.6 | 61% | 0.608 | 16% | 0.164 | S | C | * | . | H | α-helix | trans | -49.1 | -34.2 | 173.3 | -170.1 | 175.6 | -176.8 | 177.1 | 1.8 | 114.9 | H1088 Q1094 | H1088-R1090 PolarHBondContact ND1-N 2.95Å; H1088-R1090 PolarHBondContact O-N 3.24Å; R1090-Q1094 VanDerWaalsContact O-CG 3.32Å; R1090-Q1094 WeakPolarHBondContact O-CG 3.49Å; R1090-Q1094 PolarHBondContact O-N 3.3Å |
| 1091 | Y | 91.1 | Very high | 91.7 | Very high | 31 Ų | 31 | 34.9 Ų | 34.9 | 12% | 0.122 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -68.6 | -40.1 | 176.6 | -71.5 | -66.2 | 0 | 0 | 0 | 111.7 | R1035 L1036 F1039 P1040 F1087 H1088 S1089 Q1094 F1095 | R1035-Y1091 WeakPolarHBondContact CG-OH 3.32Å; L1036-Y1091 PolarHBondContact N-OH 3.45Å; F1039-Y1091 HydrophobicContact CB-CE1 4.47Å; F1039-Y1091 HydrophobicContact CD1-CD1 4.36Å; F1039-Y1091 HydrophobicContact CD1-CG 4.3Å; P1040-Y1091 HydrophobicContact CG-CD1 3.44Å; P1040-Y1091 VanDerWaalsContact CG-CD1 3.44Å; P1040-Y1091 HydrophobicContact CG-CE1 4.36Å; P1040-Y1091 HydrophobicContact CG-CG 4.22Å; F1087-Y1091 HydrophobicContact CB-CD2 3.71Å; F1087-Y1091 HydrophobicContact CB-CE2 4.33Å; F1087-Y1091 HydrophobicContact CB-CG 4.41Å; F1087-Y1091 HydrophobicContact CD1-CD2 4.38Å; F1087-Y1091 HydrophobicContact CD1-CE2 4.24Å; F1087-Y1091 HydrophobicContact CG-CD2 4.45Å; H1088-Y1091 HydrophobicContact CB-CD2 4.09Å; H1088-Y1091 HydrophobicContact CB-CE2 4.33Å; H1088-Y1091 WeakPolarHBondContact O-CB 3.35Å; H1088-Y1091 WeakPolarHBondContact O-CD2 3.46Å; H1088-Y1091 PolarHBondContact O-N 2.97Å; S1089-Y1091 PolarHBondContact O-N 3.41Å; S1089-Y1091 VanDerWaalsContact O-N 3.13Å; Y1091-Q1094 PolarHBondContact O-N 3.41Å; Y1091-F1095 WeakPolarHBondContact O-CB 3.36Å; Y1091-F1095 PolarHBondContact O-N 3.04Å |
| 1092 | T | 90.9 | Very high | 91.6 | Very high | 19 Ų | 19 | 35.1 Ų | 35.1 | 12% | 0.117 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.4 | -46.6 | 173.4 | -57.7 | 0 | 0 | 0 | 0 | 111 | S1089 Q1094 F1095 L1096 Y1132 | S1089-T1092 WeakPolarHBondContact O-CA 3.13Å; S1089-T1092 VanDerWaalsContact O-CB 3.23Å; S1089-T1092 WeakPolarHBondContact O-CB 3.36Å; S1089-T1092 PolarHBondContact O-N 3.5Å; T1092-Q1094 VanDerWaalsContact C-N 3.31Å; T1092-Q1094 PolarHBondContact O-N 3.26Å; T1092-F1095 WeakPolarHBondContact O-CB 3.44Å; T1092-F1095 PolarHBondContact O-N 3.04Å; T1092-F1095 VanDerWaalsContact O-N 3.16Å; T1092-L1096 HydrophobicContact CG2-CD1 4.08Å; T1092-L1096 HydrophobicContact CG2-CG 4.33Å; T1092-L1096 WeakPolarHBondContact O-CG 3.45Å; T1092-L1096 PolarHBondContact O-N 2.99Å; T1092-Y1132 WeakPolarHBondContact CG2-OH 3.46Å |
| 1093 | E | 90.3 | Very high | 91.3 | Very high | 114 Ų | 114 | 35.1 Ų | 35.1 | 53% | 0.533 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -58.2 | -43.1 | 176.5 | -68.4 | 173.1 | -177.6 | 0 | 0 | 112 | S1089 L1096 A1097 | S1089-E1093 PolarHBondContact O-N 3.25Å; E1093-L1096 PolarHBondContact O-N 3.25Å; E1093-A1097 WeakPolarHBondContact O-CB 3.28Å; E1093-A1097 PolarHBondContact O-N 2.96Å |
| 1094 | Q | 91 | Very high | 91 | Very high | 54 Ų | 54 | 36.6 Ų | 36.6 | 25% | 0.252 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -64.9 | -40.6 | 176.1 | -74.1 | 177.2 | 6.9 | 0 | 0 | 112.3 | L919 P1040 R1090 Y1091 T1092 A1097 L1098 | L919-Q1094 HydrophobicContact CD1-CG 4.39Å; P1040-Q1094 HydrophobicContact CB-CB 3.9Å; P1040-Q1094 HydrophobicContact CG-CB 3.98Å; R1090-Q1094 VanDerWaalsContact O-CG 3.32Å; R1090-Q1094 WeakPolarHBondContact O-CG 3.49Å; R1090-Q1094 PolarHBondContact O-N 3.3Å; Y1091-Q1094 PolarHBondContact O-N 3.41Å; T1092-Q1094 VanDerWaalsContact C-N 3.31Å; T1092-Q1094 PolarHBondContact O-N 3.26Å; Q1094-A1097 PolarHBondContact O-N 3.2Å; Q1094-L1098 WeakPolarHBondContact O-CG 3.5Å; Q1094-L1098 PolarHBondContact O-N 3.14Å |
| 1095 | F | 93.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.4 | -45.8 | 176.9 | 168 | -99.3 | 0 | 0 | 0 | 111.8 | P1040 N1043 F1044 L1047 L1084 Y1091 T1092 A1097 L1098 I1099 F1128 | P1040-F1095 HydrophobicContact CB-CB 4.19Å; N1043-F1095 HydrophobicContact CB-CD2 3.89Å; N1043-F1095 HydrophobicContact CB-CE2 3.88Å; F1044-F1095 HydrophobicContact CB-CD2 4Å; F1044-F1095 HydrophobicContact CB-CE2 4.25Å; L1047-F1095 HydrophobicContact CD2-CZ 4.09Å; L1084-F1095 HydrophobicContact CD1-CD1 3.43Å; L1084-F1095 VanDerWaalsContact CD1-CD1 3.43Å; L1084-F1095 HydrophobicContact CD1-CE1 3.41Å; L1084-F1095 VanDerWaalsContact CD1-CE1 3.41Å; L1084-F1095 HydrophobicContact CD1-CG 4.03Å; L1084-F1095 HydrophobicContact CD1-CZ 4.01Å; L1084-F1095 HydrophobicContact CD2-CB 4.28Å; L1084-F1095 HydrophobicContact CD2-CD1 4.39Å; L1084-F1095 HydrophobicContact CD2-CG 4.2Å; Y1091-F1095 WeakPolarHBondContact O-CB 3.36Å; Y1091-F1095 PolarHBondContact O-N 3.04Å; T1092-F1095 WeakPolarHBondContact O-CB 3.44Å; T1092-F1095 PolarHBondContact O-N 3.04Å; T1092-F1095 VanDerWaalsContact O-N 3.16Å; F1095-A1097 VanDerWaalsContact C-N 3.34Å; F1095-A1097 PolarHBondContact O-N 2.99Å; F1095-L1098 WeakPolarHBondContact O-CB 3.04Å; F1095-L1098 PolarHBondContact O-N 3.46Å; F1095-I1099 HydrophobicContact CD1-CD1 3.98Å; F1095-I1099 HydrophobicContact CE1-CD1 3.43Å; F1095-I1099 VanDerWaalsContact CE1-CD1 3.43Å; F1095-I1099 HydrophobicContact CE2-CD1 4.03Å; F1095-I1099 HydrophobicContact CZ-CD1 3.48Å; F1095-I1099 VanDerWaalsContact CZ-CD1 3.48Å; F1095-I1099 HydrophobicContact CZ-CG1 4.43Å; F1095-I1099 WeakPolarHBondContact O-CG1 3.36Å; F1095-I1099 PolarHBondContact O-N 3.46Å; F1095-I1099 VanDerWaalsContact O-N 3.1Å; F1095-F1128 AromaticContact CE1-CE1 3.63Å; F1095-F1128 HydrophobicContact CE1-CE1 3.63Å; F1095-F1128 AromaticContact CE1-CZ 3.88Å; F1095-F1128 HydrophobicContact CE1-CZ 3.88Å; F1095-F1128 AromaticContact CZ-CE1 3.88Å; F1095-F1128 HydrophobicContact CZ-CE1 3.88Å; F1095-F1128 AromaticContact CZ-CZ 3.9Å; F1095-F1128 HydrophobicContact CZ-CZ 3.9Å |
| 1096 | L | 91.8 | Very high | 90.4 | Very high | 7 Ų | 7 | 32.3 Ų | 32.3 | 4% | 0.037 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.6 | -39 | 176.4 | -65.7 | 176.3 | 0 | 0 | 0 | 111.8 | T1092 E1093 L1098 I1099 G1100 L1129 Y1132 V1142 | T1092-L1096 HydrophobicContact CG2-CD1 4.08Å; T1092-L1096 HydrophobicContact CG2-CG 4.33Å; T1092-L1096 WeakPolarHBondContact O-CG 3.45Å; T1092-L1096 PolarHBondContact O-N 2.99Å; E1093-L1096 PolarHBondContact O-N 3.25Å; L1096-L1098 PolarHBondContact O-N 3.31Å; L1096-I1099 PolarHBondContact O-N 2.93Å; L1096-G1100 PolarHBondContact O-N 3.31Å; L1096-L1129 HydrophobicContact CD2-CD2 3.64Å; L1096-Y1132 HydrophobicContact CD1-CE1 4.23Å; L1096-Y1132 HydrophobicContact CD2-CD1 4.28Å; L1096-Y1132 HydrophobicContact CD2-CD2 4.36Å; L1096-Y1132 HydrophobicContact CD2-CE1 4.38Å; L1096-Y1132 HydrophobicContact CD2-CE2 4.42Å; L1096-Y1132 HydrophobicContact CD2-CG 4.33Å; L1096-V1142 HydrophobicContact CD1-CG1 4Å |
| 1097 | A | 91.1 | Very high | 90 | Very high | 12 Ų | 12 | 33.1 Ų | 33.1 | 10% | 0.099 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.5 | -40.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L919 E1093 Q1094 F1095 G1100 Q1101 | L919-A1097 HydrophobicContact CB-CB 4.26Å; L919-A1097 HydrophobicContact CD1-CB 4.31Å; E1093-A1097 WeakPolarHBondContact O-CB 3.28Å; E1093-A1097 PolarHBondContact O-N 2.96Å; Q1094-A1097 PolarHBondContact O-N 3.2Å; F1095-A1097 VanDerWaalsContact C-N 3.34Å; F1095-A1097 PolarHBondContact O-N 2.99Å; A1097-G1100 PolarHBondContact O-N 3.06Å; A1097-Q1101 WeakPolarHBondContact O-CB 3.31Å; A1097-Q1101 PolarHBondContact O-N 3.46Å |
| 1098 | L | 91.9 | Very high | 89.6 | Confident | 3 Ų | 3 | 37.4 Ų | 37.4 | 2% | 0.016 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.4 | -40.5 | 175.4 | -74 | 165.3 | 0 | 0 | 0 | 112.1 | V916 L919 P1040 I1041 F1044 Q1094 F1095 L1096 Q1101 F1102 | V916-L1098 HydrophobicContact CB-CD2 4.27Å; V916-L1098 HydrophobicContact CG2-CD2 3.79Å; L919-L1098 HydrophobicContact CD2-CD2 3.38Å; L919-L1098 HydrophobicContact CD2-CG 3.83Å; P1040-L1098 HydrophobicContact CB-CD1 4.36Å; I1041-L1098 HydrophobicContact CB-CD1 4.14Å; I1041-L1098 HydrophobicContact CG1-CD1 4.38Å; F1044-L1098 HydrophobicContact CB-CB 4.06Å; F1044-L1098 HydrophobicContact CB-CD1 3.97Å; F1044-L1098 HydrophobicContact CD1-CB 4.12Å; F1044-L1098 HydrophobicContact CD1-CD1 4.37Å; F1044-L1098 HydrophobicContact CD2-CB 3.74Å; F1044-L1098 HydrophobicContact CE2-CB 4.23Å; F1044-L1098 WeakPolarHBondContact CE2-O 3.4Å; F1044-L1098 HydrophobicContact CG-CB 3.68Å; F1044-L1098 HydrophobicContact CG-CD1 4.22Å; F1044-L1098 HydrophobicContact CG-CG 4.47Å; Q1094-L1098 WeakPolarHBondContact O-CG 3.5Å; Q1094-L1098 PolarHBondContact O-N 3.14Å; F1095-L1098 WeakPolarHBondContact O-CB 3.04Å; F1095-L1098 PolarHBondContact O-N 3.46Å; L1096-L1098 PolarHBondContact O-N 3.31Å; L1098-Q1101 PolarHBondContact O-N 3.48Å; L1098-F1102 PolarHBondContact O-N 2.87Å |
| 1099 | I | 92.5 | Very high | 89 | Confident | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.7 | -46.4 | 174.5 | -64.5 | 170.8 | 0 | 0 | 0 | 110.6 | F1044 L1047 F1095 L1096 Q1101 F1102 I1103 A1125 F1128 L1129 | F1044-I1099 HydrophobicContact CD2-CG1 3.97Å; L1047-I1099 HydrophobicContact CD2-CD1 3.67Å; L1047-I1099 HydrophobicContact CD2-CG1 4.22Å; F1095-I1099 HydrophobicContact CD1-CD1 3.98Å; F1095-I1099 HydrophobicContact CE1-CD1 3.43Å; F1095-I1099 VanDerWaalsContact CE1-CD1 3.43Å; F1095-I1099 HydrophobicContact CE2-CD1 4.03Å; F1095-I1099 HydrophobicContact CZ-CD1 3.48Å; F1095-I1099 VanDerWaalsContact CZ-CD1 3.48Å; F1095-I1099 HydrophobicContact CZ-CG1 4.43Å; F1095-I1099 WeakPolarHBondContact O-CG1 3.36Å; F1095-I1099 PolarHBondContact O-N 3.46Å; F1095-I1099 VanDerWaalsContact O-N 3.1Å; L1096-I1099 PolarHBondContact O-N 2.93Å; I1099-Q1101 VanDerWaalsContact C-N 3.31Å; I1099-Q1101 PolarHBondContact O-N 2.79Å; I1099-F1102 WeakPolarHBondContact O-CB 3.22Å; I1099-F1102 PolarHBondContact O-N 2.91Å; I1099-F1102 VanDerWaalsContact O-N 3.16Å; I1099-I1103 HydrophobicContact CG2-CD1 3.79Å; I1099-I1103 HydrophobicContact CG2-CG1 4.44Å; I1099-I1103 WeakPolarHBondContact O-CG1 3.29Å; I1099-I1103 PolarHBondContact O-N 3.41Å; I1099-A1125 HydrophobicContact CG2-CB 4.26Å; I1099-F1128 HydrophobicContact CD1-CD1 3.83Å; I1099-F1128 HydrophobicContact CD1-CE1 3.8Å; I1099-L1129 HydrophobicContact CB-CD2 4.37Å; I1099-L1129 HydrophobicContact CD1-CD2 4.33Å; I1099-L1129 HydrophobicContact CG2-CD1 3.96Å; I1099-L1129 HydrophobicContact CG2-CD2 3.98Å; I1099-L1129 HydrophobicContact CG2-CG 3.87Å |
| 1100 | G | 90.1 | Very high | 88.3 | Confident | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.01 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59.8 | -42 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L1096 A1097 F1102 I1103 C1104 | L1096-G1100 PolarHBondContact O-N 3.31Å; A1097-G1100 PolarHBondContact O-N 3.06Å; G1100-F1102 PolarHBondContact O-N 3.3Å; G1100-I1103 PolarHBondContact O-N 3.49Å; G1100-C1104 WeakPolarHBondContact O-CB 3.33Å; G1100-C1104 PolarHBondContact O-N 3.28Å; G1100-C1104 PolarHBondContact O-SG 3.24Å |
| 1101 | Q | 89.9 | Confident | 87.2 | Confident | 7 Ų | 7 | 27.4 Ų | 27.4 | 3% | 0.033 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.4 | -41.6 | 174.4 | -172.3 | 178.3 | 43.5 | 0 | 0 | 112.3 | V916 P918 S921 V923 A1097 L1098 I1099 S1105 | V916-Q1101 PolarHBondContact O-NE2 2.91Å; V916-Q1101 PolarHBondContact O-OE1 2.95Å; P918-Q1101 PolarHBondContact O-NE2 3.06Å; P918-Q1101 VanDerWaalsContact O-NE2 3.15Å; S921-Q1101 WeakPolarHBondContact O-CG 2.99Å; S921-Q1101 PolarHBondContact O-NE2 3.36Å; V923-Q1101 HydrophobicContact CG2-CG 3.95Å; A1097-Q1101 WeakPolarHBondContact O-CB 3.31Å; A1097-Q1101 PolarHBondContact O-N 3.46Å; L1098-Q1101 PolarHBondContact O-N 3.48Å; I1099-Q1101 VanDerWaalsContact C-N 3.31Å; I1099-Q1101 PolarHBondContact O-N 2.79Å; Q1101-S1105 WeakPolarHBondContact O-CB 3.43Å; Q1101-S1105 PolarHBondContact O-N 3.47Å; Q1101-S1105 PolarHBondContact O-OG 3.47Å |
| 1102 | F | 90.9 | Very high | 85.7 | Confident | 13 Ų | 13 | 31 Ų | 31 | 6% | 0.057 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.7 | -47.9 | 175 | 169.7 | -102.8 | 0 | 0 | 0 | 112.1 | Y930 F1044 I1048 L1051 L1098 I1099 G1100 T1106 D1121 A1125 | Y930-F1102 AromaticContact CD2-CD2 3.62Å; Y930-F1102 HydrophobicContact CD2-CD2 3.62Å; Y930-F1102 HydrophobicContact CD2-CE2 4.08Å; Y930-F1102 HydrophobicContact CE2-CB 4.41Å; Y930-F1102 AromaticContact CE2-CD2 3.68Å; Y930-F1102 HydrophobicContact CE2-CD2 3.68Å; Y930-F1102 HydrophobicContact CG-CD2 4.36Å; F1044-F1102 HydrophobicContact CE2-CB 3.66Å; F1044-F1102 HydrophobicContact CE2-CG 4.22Å; F1044-F1102 HydrophobicContact CZ-CB 3.8Å; F1044-F1102 HydrophobicContact CZ-CD2 4.43Å; F1044-F1102 HydrophobicContact CZ-CG 4.31Å; I1048-F1102 HydrophobicContact CG2-CD1 4.16Å; I1048-F1102 HydrophobicContact CG2-CD2 4.37Å; I1048-F1102 HydrophobicContact CG2-CE1 4.16Å; I1048-F1102 HydrophobicContact CG2-CE2 4.38Å; I1048-F1102 HydrophobicContact CG2-CG 4.27Å; I1048-F1102 HydrophobicContact CG2-CZ 4.28Å; L1051-F1102 HydrophobicContact CD1-CE1 4.44Å; L1098-F1102 PolarHBondContact O-N 2.87Å; I1099-F1102 WeakPolarHBondContact O-CB 3.22Å; I1099-F1102 PolarHBondContact O-N 2.91Å; I1099-F1102 VanDerWaalsContact O-N 3.16Å; G1100-F1102 PolarHBondContact O-N 3.3Å; F1102-T1106 VanDerWaalsContact O-CB 3.29Å; F1102-T1106 WeakPolarHBondContact O-CB 3.4Å; F1102-T1106 PolarHBondContact O-N 2.84Å; F1102-T1106 PolarHBondContact O-OG1 3.08Å; F1102-D1121 HydrophobicContact CZ-CB 4.38Å; F1102-A1125 HydrophobicContact CD1-CB 4.09Å; F1102-A1125 HydrophobicContact CE1-CB 4.07Å |
| 1103 | I | 88.9 | Confident | 84.2 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.4 | -56.2 | 177.9 | -68.6 | 163.8 | 0 | 0 | 0 | 109.7 | I1099 G1100 S1105 T1106 V1107 V1122 A1125 L1126 L1129 V1147 I1151 | I1099-I1103 HydrophobicContact CG2-CD1 3.79Å; I1099-I1103 HydrophobicContact CG2-CG1 4.44Å; I1099-I1103 WeakPolarHBondContact O-CG1 3.29Å; I1099-I1103 PolarHBondContact O-N 3.41Å; G1100-I1103 PolarHBondContact O-N 3.49Å; I1103-S1105 VanDerWaalsContact C-N 3.35Å; I1103-S1105 PolarHBondContact O-N 3.41Å; I1103-T1106 PolarHBondContact O-N 2.96Å; I1103-V1107 HydrophobicContact CG2-CG2 4.43Å; I1103-V1107 WeakPolarHBondContact O-CB 3.48Å; I1103-V1107 VanDerWaalsContact O-CG2 3.28Å; I1103-V1107 WeakPolarHBondContact O-CG2 3.47Å; I1103-V1107 PolarHBondContact O-N 2.9Å; I1103-V1122 HydrophobicContact CG1-CG1 4.44Å; I1103-V1122 HydrophobicContact CG2-CG1 4.03Å; I1103-A1125 HydrophobicContact CD1-CB 4.01Å; I1103-A1125 HydrophobicContact CG1-CB 3.84Å; I1103-L1126 HydrophobicContact CD1-CD2 3.88Å; I1103-L1126 HydrophobicContact CD1-CG 4.01Å; I1103-L1126 HydrophobicContact CG1-CG 4.44Å; I1103-L1126 HydrophobicContact CG2-CD2 4.06Å; I1103-L1126 HydrophobicContact CG2-CG 4.27Å; I1103-L1129 HydrophobicContact CD1-CD1 3.63Å; I1103-V1147 HydrophobicContact CB-CG2 4.46Å; I1103-V1147 HydrophobicContact CD1-CG2 3.88Å; I1103-V1147 HydrophobicContact CG2-CG1 4.07Å; I1103-V1147 HydrophobicContact CG2-CG2 4.43Å; I1103-I1151 HydrophobicContact CG2-CG2 4.2Å |
| 1104 | C | 88.3 | Confident | 82.2 | Confident | 31 Ų | 31 | 41.1 Ų | 41.1 | 21% | 0.209 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.9 | -43.3 | -177.1 | -62.5 | 0 | 0 | 0 | 0 | 112 | G1100 T1106 E1108 P1148 | G1100-C1104 WeakPolarHBondContact O-CB 3.33Å; G1100-C1104 PolarHBondContact O-N 3.28Å; G1100-C1104 PolarHBondContact O-SG 3.24Å; C1104-T1106 VanDerWaalsContact C-N 3.32Å; C1104-T1106 PolarHBondContact O-N 3.4Å; C1104-E1108 WeakPolarHBondContact O-CB 3.34Å; C1104-E1108 PolarHBondContact O-N 3.23Å; C1104-P1148 VanDerWaalsContact SG-CD 3.58Å |
| 1105 | S | 87.6 | Confident | 80.4 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -70.3 | -28.3 | -177.9 | -53.2 | 0 | 0 | 0 | 0 | 113.6 | V923 S926 Q1101 I1103 Q1109 | V923-S1105 PolarHBondContact N-OG 3.07Å; S926-S1105 PolarHBondContact OG-O 3.43Å; Q1101-S1105 WeakPolarHBondContact O-CB 3.43Å; Q1101-S1105 PolarHBondContact O-N 3.47Å; Q1101-S1105 PolarHBondContact O-OG 3.47Å; I1103-S1105 VanDerWaalsContact C-N 3.35Å; I1103-S1105 PolarHBondContact O-N 3.41Å; S1105-Q1109 WeakPolarHBondContact O-CG 3.47Å |
| 1106 | T | 85.3 | Confident | 78.8 | Confident | 3 Ų | 3 | 48.4 Ų | 48.4 | 2% | 0.018 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -84.1 | -38.8 | 179.6 | -50.9 | 0 | 0 | 0 | 0 | 110.8 | F1102 I1103 C1104 Q1109 C1110 P1119 V1122 | F1102-T1106 VanDerWaalsContact O-CB 3.29Å; F1102-T1106 WeakPolarHBondContact O-CB 3.4Å; F1102-T1106 PolarHBondContact O-N 2.84Å; F1102-T1106 PolarHBondContact O-OG1 3.08Å; I1103-T1106 PolarHBondContact O-N 2.96Å; C1104-T1106 VanDerWaalsContact C-N 3.32Å; C1104-T1106 PolarHBondContact O-N 3.4Å; T1106-Q1109 PolarHBondContact O-N 3Å; T1106-C1110 PolarHBondContact O-N 3.09Å; T1106-C1110 PolarHBondContact O-SG 3.14Å; T1106-C1110 VanDerWaalsContact O-SG 3.41Å; T1106-P1119 HydrophobicContact CG2-CG 4.21Å; T1106-V1122 HydrophobicContact CG2-CG2 3.52Å |
| 1107 | V | 84.4 | Confident | 77.7 | Confident | 23 Ų | 23 | 55.2 Ų | 55.2 | 14% | 0.139 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.7 | -42.5 | 173.7 | 173.7 | 0 | 0 | 0 | 0 | 111.4 | I1103 Q1109 C1110 T1111 V1122 I1151 | I1103-V1107 HydrophobicContact CG2-CG2 4.43Å; I1103-V1107 WeakPolarHBondContact O-CB 3.48Å; I1103-V1107 VanDerWaalsContact O-CG2 3.28Å; I1103-V1107 WeakPolarHBondContact O-CG2 3.47Å; I1103-V1107 PolarHBondContact O-N 2.9Å; V1107-Q1109 PolarHBondContact O-N 3.47Å; V1107-C1110 WeakPolarHBondContact O-CB 3.46Å; V1107-C1110 PolarHBondContact O-N 3.38Å; V1107-T1111 PolarHBondContact O-N 2.93Å; V1107-T1111 VanDerWaalsContact O-N 3.08Å; V1107-T1111 PolarHBondContact O-OG1 3.47Å; V1107-V1122 HydrophobicContact CG2-CG1 3.82Å; V1107-I1151 HydrophobicContact CB-CD1 4.48Å; V1107-I1151 HydrophobicContact CG1-CD1 4.13Å |
| 1108 | E | 83.4 | Confident | 77 | Confident | 104 Ų | 104 | 56.6 Ų | 56.6 | 49% | 0.486 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.1 | -27.7 | 177.1 | -171.8 | 67.6 | -174.1 | 0 | 0 | 113.1 | I922 C1104 T1111 | I922-E1108 HydrophobicContact CD1-CB 4.37Å; I922-E1108 HydrophobicContact CD1-CG 4.02Å; I922-E1108 HydrophobicContact CG2-CB 4.45Å; I922-E1108 HydrophobicContact CG2-CG 4.38Å; C1104-E1108 WeakPolarHBondContact O-CB 3.34Å; C1104-E1108 PolarHBondContact O-N 3.23Å; E1108-T1111 WeakPolarHBondContact CA-OG1 3.46Å; E1108-T1111 PolarHBondContact O-OG1 3.21Å |
| 1109 | Q | 78.1 | Confident | 76.6 | Confident | 53 Ų | 53 | 58.4 Ų | 58.4 | 25% | 0.248 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -77.8 | -26.5 | 174.4 | -74.4 | 172.6 | 20.6 | 0 | 0 | 112.5 | V923 S926 N927 S1105 T1106 V1107 | V923-Q1109 PolarHBondContact O-NE2 3.22Å; S926-Q1109 VanDerWaalsContact OG-CD 3.23Å; S926-Q1109 PolarHBondContact OG-NE2 3.47Å; S926-Q1109 PolarHBondContact OG-OE1 3.46Å; N927-Q1109 PolarHBondContact ND2-OE1 2.94Å; N927-Q1109 VanDerWaalsContact ND2-OE1 3.14Å; S1105-Q1109 WeakPolarHBondContact O-CG 3.47Å; T1106-Q1109 PolarHBondContact O-N 3Å; V1107-Q1109 PolarHBondContact O-N 3.47Å |
| 1110 | C | 73.7 | Confident | 76.1 | Confident | 15 Ų | 15 | 61.7 Ų | 61.7 | 10% | 0.101 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -82.9 | -28.9 | 179.9 | -69.4 | 0 | 0 | 0 | 0 | 112.8 | T1106 V1107 S1112 Q1113 P1119 | T1106-C1110 PolarHBondContact O-N 3.09Å; T1106-C1110 PolarHBondContact O-SG 3.14Å; T1106-C1110 VanDerWaalsContact O-SG 3.41Å; V1107-C1110 WeakPolarHBondContact O-CB 3.46Å; V1107-C1110 PolarHBondContact O-N 3.38Å; C1110-S1112 PolarHBondContact O-N 2.95Å; C1110-S1112 VanDerWaalsContact O-N 3.08Å; C1110-Q1113 WeakPolarHBondContact O-CB 3.24Å; C1110-Q1113 PolarHBondContact O-N 2.77Å; C1110-P1119 WeakPolarHBondContact SG-CG 3.49Å |
| 1111 | T | 67.3 | Low | 75.8 | Confident | 84 Ų | 84 | 63.4 Ų | 63.4 | 52% | 0.515 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -13.1 | 173.6 | 42.4 | 0 | 0 | 0 | 0 | 113.6 | V1107 E1108 Q1113 | V1107-T1111 PolarHBondContact O-N 2.93Å; V1107-T1111 VanDerWaalsContact O-N 3.08Å; V1107-T1111 PolarHBondContact O-OG1 3.47Å; E1108-T1111 WeakPolarHBondContact CA-OG1 3.46Å; E1108-T1111 PolarHBondContact O-OG1 3.21Å; T1111-Q1113 VanDerWaalsContact C-N 3.32Å |
| 1112 | S | 59.1 | Low | 75.7 | Confident | 107 Ų | 107 | 63.1 Ų | 63.1 | 75% | 0.748 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -3.2 | 173.2 | -58.1 | 0 | 0 | 0 | 0 | 114.3 | C1110 | C1110-S1112 PolarHBondContact O-N 2.95Å; C1110-S1112 VanDerWaalsContact O-N 3.08Å |
| 1113 | Q | 58.9 | Low | 75.4 | Confident | 124 Ų | 124 | 62.6 Ų | 62.6 | 58% | 0.579 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -101.5 | 152.2 | -176.5 | -59.7 | -175.6 | 1.3 | 0 | 0 | 112.8 | C1110 T1111 I1115 | C1110-Q1113 WeakPolarHBondContact O-CB 3.24Å; C1110-Q1113 PolarHBondContact O-N 2.77Å; T1111-Q1113 VanDerWaalsContact C-N 3.32Å; Q1113-I1115 PolarHBondContact O-N 2.47Å; Q1113-I1115 VanDerWaalsContact O-N 3.17Å |
| 1114 | K | 49 | Very low | 75.4 | Confident | 221 Ų | 221 | 62.6 Ų | 62.6 | 96% | 0.961 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -62.9 | -19.7 | -175.4 | -83.6 | -176.7 | 175.7 | -180 | 0 | 115 | ||
| 1115 | I | 53.8 | Low | 75.4 | Confident | 126 Ų | 126 | 61.2 Ų | 61.2 | 65% | 0.646 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -137 | 109.7 | 171.6 | -56.6 | 174.2 | 0 | 0 | 0 | 106 | Q1113 E1117 | Q1113-I1115 PolarHBondContact O-N 2.47Å; Q1113-I1115 VanDerWaalsContact O-N 3.17Å; I1115-E1117 HydrophobicContact CG2-CG 4.44Å; I1115-E1117 PolarHBondContact O-N 2.89Å; I1115-E1117 VanDerWaalsContact O-N 3.11Å |
| 1116 | P | 59.1 | Low | 75.5 | Confident | 82 Ų | 82 | 61.2 Ų | 61.2 | 53% | 0.532 | 33% | 0.331 | S | S | . | . | trans | -78.7 | 94.5 | -178.7 | 28.6 | -30.7 | 0 | 0 | 0 | 110.2 | ||||
| 1117 | E | 68.6 | Low | 75.7 | Confident | 150 Ų | 150 | 61.3 Ų | 61.3 | 70% | 0.701 | 33% | 0.332 | S | S | * | . | P | Polyproline II helix | trans | -93.7 | 133 | 165.7 | -75.2 | -178.6 | 178 | 0 | 0 | 109.7 | I1115 P1119 | I1115-E1117 HydrophobicContact CG2-CG 4.44Å; I1115-E1117 PolarHBondContact O-N 2.89Å; I1115-E1117 VanDerWaalsContact O-N 3.11Å; E1117-P1119 WeakPolarHBondContact O-CD 3.21Å |
| 1118 | I | 77.3 | Confident | 76 | Confident | 41 Ų | 41 | 60.2 Ų | 60.2 | 21% | 0.21 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -73.5 | 124.4 | 176.1 | -59 | 176.7 | 0 | 0 | 0 | 108.2 | V1122 V1123 F1155 V1158 | I1118-V1122 HydrophobicContact CG2-CB 3.81Å; I1118-V1122 HydrophobicContact CG2-CG1 3.69Å; I1118-V1123 HydrophobicContact CB-CG2 4.3Å; I1118-V1123 HydrophobicContact CG2-CG2 3.79Å; I1118-F1155 HydrophobicContact CD1-CB 4.19Å; I1118-V1158 HydrophobicContact CD1-CB 4.22Å; I1118-V1158 HydrophobicContact CD1-CG1 4.14Å; I1118-V1158 HydrophobicContact CG1-CG1 4.14Å |
| 1119 | P | 82.4 | Confident | 76.4 | Confident | 40 Ų | 40 | 55.4 Ų | 55.4 | 26% | 0.26 | 30% | 0.303 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 144.6 | 179.6 | -24.8 | 34.5 | 0 | 0 | 0 | 112.7 | T1106 C1110 E1117 D1121 V1122 V1123 | T1106-P1119 HydrophobicContact CG2-CG 4.21Å; C1110-P1119 WeakPolarHBondContact SG-CG 3.49Å; E1117-P1119 WeakPolarHBondContact O-CD 3.21Å; P1119-D1121 PolarHBondContact O-N 2.93Å; P1119-D1121 VanDerWaalsContact O-N 3.14Å; P1119-V1122 HydrophobicContact CB-CG2 4.16Å; P1119-V1122 HydrophobicContact CG-CG2 4.2Å; P1119-V1122 WeakPolarHBondContact O-CA 3.34Å; P1119-V1122 WeakPolarHBondContact O-CB 3.12Å; P1119-V1122 PolarHBondContact O-N 3.24Å; P1119-V1123 PolarHBondContact O-N 3.48Å; P1119-V1123 VanDerWaalsContact O-N 3.08Å |
| 1120 | A | 81.6 | Confident | 76.9 | Confident | 70 Ų | 70 | 55.4 Ų | 55.4 | 58% | 0.579 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -55.2 | -34.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | V1122 V1123 G1124 | A1120-V1122 VanDerWaalsContact C-N 3.34Å; A1120-V1123 PolarHBondContact O-N 2.67Å; A1120-G1124 PolarHBondContact O-N 2.72Å |
| 1121 | D | 84.4 | Confident | 77.7 | Confident | 38 Ų | 38 | 55.5 Ų | 55.5 | 20% | 0.203 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -67.1 | -34.8 | 176.1 | -60.1 | -29.6 | 0 | 0 | 0 | 111.9 | L1051 P1052 F1102 P1119 G1124 A1125 | L1051-D1121 HydrophobicContact CB-CB 4.21Å; L1051-D1121 WeakPolarHBondContact CD1-O 3.33Å; P1052-D1121 WeakPolarHBondContact CA-OD1 3.45Å; F1102-D1121 HydrophobicContact CZ-CB 4.38Å; P1119-D1121 PolarHBondContact O-N 2.93Å; P1119-D1121 VanDerWaalsContact O-N 3.14Å; D1121-G1124 PolarHBondContact O-N 2.99Å; D1121-A1125 PolarHBondContact O-N 3.18Å |
| 1122 | V | 86.8 | Confident | 78.7 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -70.8 | -40.9 | 176 | 176.9 | 0 | 0 | 0 | 0 | 110.5 | I1103 T1106 V1107 I1118 P1119 A1120 G1124 A1125 L1126 | I1103-V1122 HydrophobicContact CG1-CG1 4.44Å; I1103-V1122 HydrophobicContact CG2-CG1 4.03Å; T1106-V1122 HydrophobicContact CG2-CG2 3.52Å; V1107-V1122 HydrophobicContact CG2-CG1 3.82Å; I1118-V1122 HydrophobicContact CG2-CB 3.81Å; I1118-V1122 HydrophobicContact CG2-CG1 3.69Å; P1119-V1122 HydrophobicContact CB-CG2 4.16Å; P1119-V1122 HydrophobicContact CG-CG2 4.2Å; P1119-V1122 WeakPolarHBondContact O-CA 3.34Å; P1119-V1122 WeakPolarHBondContact O-CB 3.12Å; P1119-V1122 PolarHBondContact O-N 3.24Å; A1120-V1122 VanDerWaalsContact C-N 3.34Å; V1122-G1124 VanDerWaalsContact C-N 3.32Å; V1122-G1124 PolarHBondContact O-N 2.77Å; V1122-A1125 PolarHBondContact O-N 3.3Å; V1122-L1126 HydrophobicContact CG1-CD1 4.04Å; V1122-L1126 WeakPolarHBondContact O-CG 3.26Å; V1122-L1126 PolarHBondContact O-N 3.24Å |
| 1123 | V | 86.4 | Confident | 80.2 | Confident | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.012 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -59.2 | -44.9 | 173.3 | 172.2 | 0 | 0 | 0 | 0 | 110.6 | Y1056 I1118 P1119 A1120 A1125 L1126 L1127 F1155 L1159 | Y1056-V1123 HydrophobicContact CG-CG1 4.49Å; I1118-V1123 HydrophobicContact CB-CG2 4.3Å; I1118-V1123 HydrophobicContact CG2-CG2 3.79Å; P1119-V1123 PolarHBondContact O-N 3.48Å; P1119-V1123 VanDerWaalsContact O-N 3.08Å; A1120-V1123 PolarHBondContact O-N 2.67Å; V1123-A1125 PolarHBondContact O-N 3.46Å; V1123-L1126 PolarHBondContact O-N 2.71Å; V1123-L1127 HydrophobicContact CG1-CD1 3.89Å; V1123-L1127 WeakPolarHBondContact O-CG 3.39Å; V1123-L1127 PolarHBondContact O-N 3.48Å; V1123-F1155 HydrophobicContact CG1-CD2 4.32Å; V1123-L1159 HydrophobicContact CG1-CD1 3.59Å; V1123-L1159 HydrophobicContact CG1-CD2 4.19Å; V1123-L1159 HydrophobicContact CG1-CG 4.39Å; V1123-L1159 HydrophobicContact CG2-CD1 4.25Å; V1123-L1159 HydrophobicContact CG2-CD2 3.93Å; V1123-L1159 HydrophobicContact CG2-CG 4.25Å |
| 1124 | G | 87.3 | Confident | 81.6 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.1 | -39.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | W1073 A1120 D1121 V1122 L1127 F1128 | W1073-G1124 WeakPolarHBondContact CH2-O 3.45Å; A1120-G1124 PolarHBondContact O-N 2.72Å; D1121-G1124 PolarHBondContact O-N 2.99Å; V1122-G1124 VanDerWaalsContact C-N 3.32Å; V1122-G1124 PolarHBondContact O-N 2.77Å; G1124-L1127 PolarHBondContact O-N 2.98Å; G1124-F1128 PolarHBondContact O-N 3.45Å |
| 1125 | A | 89.6 | Confident | 83.5 | Confident | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.008 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -67.2 | -37.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | L1051 I1099 F1102 I1103 D1121 V1122 V1123 F1128 L1129 | L1051-A1125 HydrophobicContact CD1-CB 4.06Å; I1099-A1125 HydrophobicContact CG2-CB 4.26Å; F1102-A1125 HydrophobicContact CD1-CB 4.09Å; F1102-A1125 HydrophobicContact CE1-CB 4.07Å; I1103-A1125 HydrophobicContact CD1-CB 4.01Å; I1103-A1125 HydrophobicContact CG1-CB 3.84Å; D1121-A1125 PolarHBondContact O-N 3.18Å; V1122-A1125 PolarHBondContact O-N 3.3Å; V1123-A1125 PolarHBondContact O-N 3.46Å; A1125-F1128 WeakPolarHBondContact O-CB 3.22Å; A1125-F1128 PolarHBondContact O-N 2.89Å; A1125-L1129 PolarHBondContact O-N 2.89Å; A1125-L1129 VanDerWaalsContact O-N 3.14Å |
| 1126 | L | 89.2 | Confident | 85 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66 | -43.4 | 174.5 | -75 | 164 | 0 | 0 | 0 | 111.6 | I1103 V1122 V1123 F1128 L1129 E1130 V1147 I1151 F1152 F1155 | I1103-L1126 HydrophobicContact CD1-CD2 3.88Å; I1103-L1126 HydrophobicContact CD1-CG 4.01Å; I1103-L1126 HydrophobicContact CG1-CG 4.44Å; I1103-L1126 HydrophobicContact CG2-CD2 4.06Å; I1103-L1126 HydrophobicContact CG2-CG 4.27Å; V1122-L1126 HydrophobicContact CG1-CD1 4.04Å; V1122-L1126 WeakPolarHBondContact O-CG 3.26Å; V1122-L1126 PolarHBondContact O-N 3.24Å; V1123-L1126 PolarHBondContact O-N 2.71Å; L1126-F1128 VanDerWaalsContact C-N 3.32Å; L1126-F1128 PolarHBondContact O-N 2.8Å; L1126-L1129 PolarHBondContact O-N 3.03Å; L1126-E1130 PolarHBondContact O-N 2.85Å; L1126-V1147 HydrophobicContact CD2-CG1 4.04Å; L1126-I1151 HydrophobicContact CD1-CG2 3.93Å; L1126-I1151 HydrophobicContact CD2-CG2 4.17Å; L1126-F1152 HydrophobicContact CD2-CD2 3.77Å; L1126-F1152 HydrophobicContact CD2-CE2 4.3Å; L1126-F1155 HydrophobicContact CB-CD1 4.21Å; L1126-F1155 HydrophobicContact CB-CD2 4.11Å; L1126-F1155 HydrophobicContact CB-CE1 4.27Å; L1126-F1155 HydrophobicContact CB-CE2 4.18Å; L1126-F1155 HydrophobicContact CB-CG 4.13Å; L1126-F1155 HydrophobicContact CB-CZ 4.24Å; L1126-F1155 HydrophobicContact CD1-CB 3.56Å; L1126-F1155 HydrophobicContact CD1-CD1 4.18Å; L1126-F1155 HydrophobicContact CD1-CD2 4.27Å; L1126-F1155 HydrophobicContact CD1-CG 3.75Å; L1126-F1155 HydrophobicContact CG-CG 4.49Å |
| 1127 | L | 88.6 | Confident | 86.3 | Confident | 6 Ų | 6 | 39 Ų | 39 | 3% | 0.031 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63 | -38.5 | 174.3 | -71.9 | 166.6 | 0 | 0 | 0 | 111.9 | Y1056 M1062 W1073 V1123 G1124 L1129 E1130 D1131 F1155 | Y1056-L1127 HydrophobicContact CD2-CD1 3.36Å; Y1056-L1127 HydrophobicContact CE2-CD1 3.88Å; Y1056-L1127 HydrophobicContact CE2-CD2 4.21Å; Y1056-L1127 HydrophobicContact CG-CD1 4.08Å; M1062-L1127 HydrophobicContact CG-CB 4.32Å; M1062-L1127 HydrophobicContact CG-CD1 3.55Å; M1062-L1127 HydrophobicContact SD-CD1 3.46Å; M1062-L1127 WeakPolarHBondContact SD-CD1 3.41Å; W1073-L1127 HydrophobicContact CZ2-CB 4.05Å; V1123-L1127 HydrophobicContact CG1-CD1 3.89Å; V1123-L1127 WeakPolarHBondContact O-CG 3.39Å; V1123-L1127 PolarHBondContact O-N 3.48Å; G1124-L1127 PolarHBondContact O-N 2.98Å; L1127-L1129 VanDerWaalsContact C-N 3.34Å; L1127-L1129 PolarHBondContact O-N 3.37Å; L1127-E1130 PolarHBondContact O-N 3.11Å; L1127-D1131 WeakPolarHBondContact O-CB 3.5Å; L1127-D1131 PolarHBondContact O-N 2.96Å; L1127-F1155 HydrophobicContact CD2-CE2 3.66Å; L1127-F1155 HydrophobicContact CD2-CZ 3.89Å; L1127-F1155 HydrophobicContact CG-CE2 3.75Å; L1127-F1155 HydrophobicContact CG-CZ 4.27Å |
| 1128 | F | 91.9 | Very high | 87.1 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.7 | -46.2 | 173.3 | -179.9 | -87.1 | 0 | 0 | 0 | 111.3 | L1047 W1073 V1077 L1080 F1095 I1099 G1124 A1125 L1126 E1130 D1131 Y1132 | L1047-F1128 HydrophobicContact CD1-CD2 3.73Å; L1047-F1128 HydrophobicContact CD1-CE2 4.11Å; L1047-F1128 HydrophobicContact CD1-CG 4.23Å; L1047-F1128 HydrophobicContact CD2-CB 4.34Å; L1047-F1128 HydrophobicContact CD2-CD1 3.76Å; L1047-F1128 HydrophobicContact CD2-CD2 3.9Å; L1047-F1128 HydrophobicContact CD2-CE1 4.03Å; L1047-F1128 HydrophobicContact CD2-CE2 4.14Å; L1047-F1128 HydrophobicContact CD2-CG 3.71Å; L1047-F1128 HydrophobicContact CD2-CZ 4.21Å; W1073-F1128 HydrophobicContact CH2-CB 3.8Å; W1073-F1128 HydrophobicContact CH2-CD2 4.42Å; W1073-F1128 HydrophobicContact CZ2-CB 4.17Å; V1077-F1128 HydrophobicContact CB-CE2 4.47Å; V1077-F1128 HydrophobicContact CG1-CD2 4.37Å; V1077-F1128 HydrophobicContact CG1-CE2 4.21Å; V1077-F1128 HydrophobicContact CG2-CD2 3.97Å; V1077-F1128 HydrophobicContact CG2-CE2 4.33Å; L1080-F1128 HydrophobicContact CB-CE2 4.33Å; L1080-F1128 HydrophobicContact CB-CZ 4.38Å; L1080-F1128 HydrophobicContact CD1-CE2 3.89Å; L1080-F1128 HydrophobicContact CD1-CZ 4.35Å; F1095-F1128 AromaticContact CE1-CE1 3.63Å; F1095-F1128 HydrophobicContact CE1-CE1 3.63Å; F1095-F1128 AromaticContact CE1-CZ 3.88Å; F1095-F1128 HydrophobicContact CE1-CZ 3.88Å; F1095-F1128 AromaticContact CZ-CE1 3.88Å; F1095-F1128 HydrophobicContact CZ-CE1 3.88Å; F1095-F1128 AromaticContact CZ-CZ 3.9Å; F1095-F1128 HydrophobicContact CZ-CZ 3.9Å; I1099-F1128 HydrophobicContact CD1-CD1 3.83Å; I1099-F1128 HydrophobicContact CD1-CE1 3.8Å; G1124-F1128 PolarHBondContact O-N 3.45Å; A1125-F1128 WeakPolarHBondContact O-CB 3.22Å; A1125-F1128 PolarHBondContact O-N 2.89Å; L1126-F1128 VanDerWaalsContact C-N 3.32Å; L1126-F1128 PolarHBondContact O-N 2.8Å; F1128-E1130 VanDerWaalsContact C-N 3.34Å; F1128-D1131 PolarHBondContact O-N 3.1Å; F1128-Y1132 AromaticContact CE1-CD2 3.83Å; F1128-Y1132 HydrophobicContact CE1-CD2 3.83Å; F1128-Y1132 HydrophobicContact CE1-CG 4.46Å; F1128-Y1132 HydrophobicContact CZ-CD2 4.03Å; F1128-Y1132 WeakPolarHBondContact O-CB 3.46Å; F1128-Y1132 PolarHBondContact O-N 3.16Å |
| 1129 | L | 90.5 | Very high | 87.5 | Confident | 3 Ų | 3 | 37.2 Ų | 37.2 | 2% | 0.016 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.2 | -39.5 | 178.5 | -71.4 | 179.4 | 0 | 0 | 0 | 112 | L1096 I1099 I1103 A1125 L1126 L1127 Y1132 V1133 A1143 V1147 F1152 | L1096-L1129 HydrophobicContact CD2-CD2 3.64Å; I1099-L1129 HydrophobicContact CB-CD2 4.37Å; I1099-L1129 HydrophobicContact CD1-CD2 4.33Å; I1099-L1129 HydrophobicContact CG2-CD1 3.96Å; I1099-L1129 HydrophobicContact CG2-CD2 3.98Å; I1099-L1129 HydrophobicContact CG2-CG 3.87Å; I1103-L1129 HydrophobicContact CD1-CD1 3.63Å; A1125-L1129 PolarHBondContact O-N 2.89Å; A1125-L1129 VanDerWaalsContact O-N 3.14Å; L1126-L1129 PolarHBondContact O-N 3.03Å; L1127-L1129 VanDerWaalsContact C-N 3.34Å; L1127-L1129 PolarHBondContact O-N 3.37Å; L1129-Y1132 PolarHBondContact O-N 3.13Å; L1129-V1133 WeakPolarHBondContact O-CG2 3.5Å; L1129-V1133 PolarHBondContact O-N 3.33Å; L1129-A1143 HydrophobicContact CB-CB 4.43Å; L1129-V1147 HydrophobicContact CD1-CG2 3.73Å; L1129-F1152 HydrophobicContact CB-CE2 3.96Å; L1129-F1152 HydrophobicContact CB-CZ 4.46Å |
| 1130 | E | 89.1 | Confident | 87.6 | Confident | 53 Ų | 53 | 39.9 Ų | 39.9 | 25% | 0.248 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.4 | -49.8 | 175.9 | -169.6 | -174.4 | 169.8 | 0 | 0 | 111.7 | L1126 L1127 F1128 Y1132 V1133 R1134 F1152 F1155 R1156 | L1126-E1130 PolarHBondContact O-N 2.85Å; L1127-E1130 PolarHBondContact O-N 3.11Å; F1128-E1130 VanDerWaalsContact C-N 3.34Å; E1130-Y1132 VanDerWaalsContact C-N 3.32Å; E1130-Y1132 PolarHBondContact O-N 3.2Å; E1130-V1133 PolarHBondContact O-N 3.08Å; E1130-R1134 WeakPolarHBondContact O-CB 3.38Å; E1130-R1134 PolarHBondContact O-N 2.96Å; E1130-F1152 HydrophobicContact CB-CZ 4.06Å; E1130-F1155 WeakPolarHBondContact OE2-CZ 3.36Å; E1130-R1156 IonicContact OE1-CZ 2.68Å; E1130-R1156 VanDerWaalsContact OE1-CZ 3.26Å; E1130-R1156 IonicContact OE1-NH1 2.62Å; E1130-R1156 IonicContact OE1-NH2 3.25Å; E1130-R1156 PolarHBondContact OE1-NH2 3.12Å; E1130-R1156 IonicContact OE2-CZ 3.4Å; E1130-R1156 VanDerWaalsContact OE2-CZ 3.25Å; E1130-R1156 IonicContact OE2-NE 3.58Å; E1130-R1156 PolarHBondContact OE2-NE 3.29Å; E1130-R1156 IonicContact OE2-NH2 3.05Å; E1130-R1156 PolarHBondContact OE2-NH2 3.2Å |
| 1131 | D | 90.1 | Very high | 87.7 | Confident | 17 Ų | 17 | 46.1 Ų | 46.1 | 9% | 0.091 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66 | -35.8 | 177.8 | -76.9 | -27.3 | 0 | 0 | 0 | 111.5 | W1073 V1077 L1127 F1128 V1133 R1134 Y1135 | W1073-D1131 PolarHBondContact NE1-OD2 3.04Å; V1077-D1131 HydrophobicContact CG1-CB 4.1Å; L1127-D1131 WeakPolarHBondContact O-CB 3.5Å; L1127-D1131 PolarHBondContact O-N 2.96Å; F1128-D1131 PolarHBondContact O-N 3.1Å; D1131-V1133 PolarHBondContact O-N 2.86Å; D1131-R1134 PolarHBondContact O-N 3.08Å; D1131-Y1135 HydrophobicContact CB-CD2 4.11Å; D1131-Y1135 HydrophobicContact CB-CE2 3.88Å; D1131-Y1135 WeakPolarHBondContact O-CB 3.42Å; D1131-Y1135 WeakPolarHBondContact O-CD2 3.43Å; D1131-Y1135 PolarHBondContact O-N 3Å |
| 1132 | Y | 89.6 | Confident | 87.7 | Confident | 12 Ų | 12 | 46.5 Ų | 46.5 | 5% | 0.047 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -56.8 | -51.8 | 173.3 | -173.1 | -75.7 | 0 | 0 | 0 | 110.8 | L1081 L1084 T1092 L1096 F1128 L1129 E1130 R1134 T1136 L1138 | L1081-Y1132 HydrophobicContact CD2-CD1 4.28Å; L1081-Y1132 HydrophobicContact CD2-CD2 3.23Å; L1081-Y1132 HydrophobicContact CD2-CE1 4.21Å; L1081-Y1132 HydrophobicContact CD2-CE2 3.17Å; L1081-Y1132 HydrophobicContact CD2-CG 3.78Å; L1081-Y1132 HydrophobicContact CG-CD2 3.94Å; L1081-Y1132 HydrophobicContact CG-CE2 4.11Å; L1084-Y1132 HydrophobicContact CD1-CE2 4.22Å; T1092-Y1132 WeakPolarHBondContact CG2-OH 3.46Å; L1096-Y1132 HydrophobicContact CD1-CE1 4.23Å; L1096-Y1132 HydrophobicContact CD2-CD1 4.28Å; L1096-Y1132 HydrophobicContact CD2-CD2 4.36Å; L1096-Y1132 HydrophobicContact CD2-CE1 4.38Å; L1096-Y1132 HydrophobicContact CD2-CE2 4.42Å; L1096-Y1132 HydrophobicContact CD2-CG 4.33Å; F1128-Y1132 AromaticContact CE1-CD2 3.83Å; F1128-Y1132 HydrophobicContact CE1-CD2 3.83Å; F1128-Y1132 HydrophobicContact CE1-CG 4.46Å; F1128-Y1132 HydrophobicContact CZ-CD2 4.03Å; F1128-Y1132 WeakPolarHBondContact O-CB 3.46Å; F1128-Y1132 PolarHBondContact O-N 3.16Å; L1129-Y1132 PolarHBondContact O-N 3.13Å; E1130-Y1132 VanDerWaalsContact C-N 3.32Å; E1130-Y1132 PolarHBondContact O-N 3.2Å; Y1132-R1134 VanDerWaalsContact C-N 3.35Å; Y1132-T1136 HydrophobicContact CD1-CG2 4.21Å; Y1132-T1136 HydrophobicContact CE1-CG2 3.86Å; Y1132-T1136 WeakPolarHBondContact O-CB 3.21Å; Y1132-T1136 VanDerWaalsContact O-CG2 3.27Å; Y1132-T1136 WeakPolarHBondContact O-CG2 3.34Å; Y1132-T1136 PolarHBondContact O-N 2.68Å; Y1132-T1136 PolarHBondContact O-OG1 3.04Å; Y1132-L1138 HydrophobicContact CE1-CD1 4.16Å |
| 1133 | V | 89.2 | Confident | 87.6 | Confident | 18 Ų | 18 | 46.6 Ų | 46.6 | 11% | 0.109 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.7 | -43.1 | 178.1 | 171.3 | 0 | 0 | 0 | 0 | 110.6 | L1129 E1130 D1131 T1136 K1137 L1138 A1143 | L1129-V1133 WeakPolarHBondContact O-CG2 3.5Å; L1129-V1133 PolarHBondContact O-N 3.33Å; E1130-V1133 PolarHBondContact O-N 3.08Å; D1131-V1133 PolarHBondContact O-N 2.86Å; V1133-T1136 PolarHBondContact O-OG1 2.62Å; V1133-K1137 PolarHBondContact O-N 3.46Å; V1133-L1138 WeakPolarHBondContact CG1-O 3.46Å; V1133-L1138 PolarHBondContact O-N 2.81Å; V1133-A1143 HydrophobicContact CG2-CB 3.89Å |
| 1134 | R | 89.3 | Confident | 87.4 | Confident | 141 Ų | 141 | 48.9 Ų | 48.9 | 53% | 0.532 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -60.5 | -53.3 | 179.3 | -177.7 | -176.9 | 174.8 | -161.2 | -4.5 | 112.4 | E1130 D1131 Y1132 K1137 | E1130-R1134 WeakPolarHBondContact O-CB 3.38Å; E1130-R1134 PolarHBondContact O-N 2.96Å; D1131-R1134 PolarHBondContact O-N 3.08Å; Y1132-R1134 VanDerWaalsContact C-N 3.35Å; R1134-K1137 PolarHBondContact O-N 3.4Å |
| 1135 | Y | 88.9 | Confident | 87.4 | Confident | 23 Ų | 23 | 52.1 Ų | 52.1 | 9% | 0.09 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -70.1 | -34.1 | -177.4 | -69.6 | -57.6 | 0 | 0 | 0 | 112.8 | D841 V1077 L1078 L1081 D1131 K1137 | D841-Y1135 WeakPolarHBondContact OD2-CE1 3.28Å; D841-Y1135 PolarHBondContact OD2-OH 3.47Å; V1077-Y1135 HydrophobicContact CB-CE2 4.42Å; V1077-Y1135 HydrophobicContact CG1-CD2 3.89Å; V1077-Y1135 HydrophobicContact CG1-CE2 3.86Å; L1078-Y1135 HydrophobicContact CD2-CD1 3.78Å; L1078-Y1135 HydrophobicContact CD2-CD2 3.72Å; L1078-Y1135 HydrophobicContact CD2-CE1 4.07Å; L1078-Y1135 HydrophobicContact CD2-CE2 4Å; L1078-Y1135 HydrophobicContact CD2-CG 3.6Å; L1078-Y1135 HydrophobicContact CG-CD2 4.44Å; L1078-Y1135 HydrophobicContact CG-CE2 4.27Å; L1081-Y1135 HydrophobicContact CD1-CD2 3.8Å; L1081-Y1135 HydrophobicContact CD1-CG 4.19Å; D1131-Y1135 HydrophobicContact CB-CD2 4.11Å; D1131-Y1135 HydrophobicContact CB-CE2 3.88Å; D1131-Y1135 WeakPolarHBondContact O-CB 3.42Å; D1131-Y1135 WeakPolarHBondContact O-CD2 3.43Å; D1131-Y1135 PolarHBondContact O-N 3Å; Y1135-K1137 VanDerWaalsContact C-N 3.28Å; Y1135-K1137 PolarHBondContact O-N 3.26Å |
| 1136 | T | 84.8 | Confident | 87.2 | Confident | 29 Ų | 29 | 54.6 Ų | 54.6 | 18% | 0.178 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -79.4 | -10.5 | 177.2 | 57.4 | 0 | 0 | 0 | 0 | 113.6 | L1081 Y1132 V1133 L1138 | L1081-T1136 HydrophobicContact CD2-CG2 3.4Å; Y1132-T1136 HydrophobicContact CD1-CG2 4.21Å; Y1132-T1136 HydrophobicContact CE1-CG2 3.86Å; Y1132-T1136 WeakPolarHBondContact O-CB 3.21Å; Y1132-T1136 VanDerWaalsContact O-CG2 3.27Å; Y1132-T1136 WeakPolarHBondContact O-CG2 3.34Å; Y1132-T1136 PolarHBondContact O-N 2.68Å; Y1132-T1136 PolarHBondContact O-OG1 3.04Å; V1133-T1136 PolarHBondContact O-OG1 2.62Å; T1136-L1138 PolarHBondContact O-N 2.84Å; T1136-L1138 WeakPolarHBondContact OG1-CB 3.44Å; T1136-L1138 WeakPolarHBondContact OG1-CD1 3.49Å; T1136-L1138 VanDerWaalsContact OG1-CG 3.31Å; T1136-L1138 WeakPolarHBondContact OG1-CG 3.44Å |
| 1137 | K | 85.8 | Confident | 87.1 | Confident | 173 Ų | 173 | 54.7 Ų | 54.7 | 75% | 0.752 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | 28.2 | -171.7 | -56 | -177.9 | 178.8 | -179.9 | 0 | 112.7 | V1133 R1134 Y1135 | V1133-K1137 PolarHBondContact O-N 3.46Å; R1134-K1137 PolarHBondContact O-N 3.4Å; Y1135-K1137 VanDerWaalsContact C-N 3.28Å; Y1135-K1137 PolarHBondContact O-N 3.26Å |
| 1138 | L | 85.6 | Confident | 86.8 | Confident | 74 Ų | 74 | 56.9 Ų | 56.9 | 39% | 0.387 | 28% | 0.276 | S | S | . | . | trans | -76.8 | 156.6 | 174.9 | -72.6 | 175.5 | 0 | 0 | 0 | 110.3 | Y1132 V1133 T1136 V1142 | Y1132-L1138 HydrophobicContact CE1-CD1 4.16Å; V1133-L1138 WeakPolarHBondContact CG1-O 3.46Å; V1133-L1138 PolarHBondContact O-N 2.81Å; T1136-L1138 PolarHBondContact O-N 2.84Å; T1136-L1138 WeakPolarHBondContact OG1-CB 3.44Å; T1136-L1138 WeakPolarHBondContact OG1-CD1 3.49Å; T1136-L1138 VanDerWaalsContact OG1-CG 3.31Å; T1136-L1138 WeakPolarHBondContact OG1-CG 3.44Å; L1138-V1142 HydrophobicContact CB-CG2 4.28Å; L1138-V1142 HydrophobicContact CD1-CG1 4.46Å | ||
| 1139 | P | 86.1 | Confident | 86.3 | Confident | 80 Ų | 80 | 60.7 Ų | 60.7 | 52% | 0.519 | 30% | 0.296 | S | S | . | . | trans | -68.9 | 142.8 | 173.8 | 26.6 | -30.8 | 0 | 0 | 0 | 110.3 | R1141 V1142 | P1139-R1141 PolarHBondContact O-N 3.39Å; P1139-V1142 HydrophobicContact CG-CG2 4.11Å; P1139-V1142 WeakPolarHBondContact O-CB 3.35Å; P1139-V1142 WeakPolarHBondContact O-CG2 3.5Å; P1139-V1142 PolarHBondContact O-N 2.89Å | ||
| 1140 | R | 83.9 | Confident | 85.8 | Confident | 97 Ų | 97 | 66.7 Ų | 66.7 | 37% | 0.366 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | -29.9 | 178 | -173.9 | 178.2 | 151.5 | 158.9 | 2.9 | 113.6 | V1142 A1143 E1144 F1152 D1153 | R1140-V1142 PolarHBondContact O-N 3.18Å; R1140-A1143 PolarHBondContact O-N 3.45Å; R1140-E1144 WeakPolarHBondContact CD-OE1 3.49Å; R1140-E1144 HydrophobicContact CG-CG 4.19Å; R1140-E1144 WeakPolarHBondContact CG-OE1 3.43Å; R1140-E1144 IonicContact CZ-OE1 2.77Å; R1140-E1144 IonicContact NE-OE1 3.44Å; R1140-E1144 PolarHBondContact NE-OE1 3.21Å; R1140-E1144 IonicContact NH2-OE1 3.53Å; R1140-E1144 PolarHBondContact O-N 3.01Å; R1140-E1144 VanDerWaalsContact O-N 3.16Å; R1140-F1152 HydrophobicContact CG-CE1 4.38Å; R1140-D1153 IonicContact CZ-OD1 2.93Å; R1140-D1153 VanDerWaalsContact CZ-OD1 3.25Å; R1140-D1153 IonicContact NH1-OD1 2.82Å; R1140-D1153 PolarHBondContact NH1-OD1 3.06Å; R1140-D1153 VanDerWaalsContact NH2-CG 3.28Å; R1140-D1153 IonicContact NH2-OD1 3.25Å; R1140-D1153 PolarHBondContact NH2-OD1 2.84Å; R1140-D1153 IonicContact NH2-OD2 2.66Å; R1140-D1153 PolarHBondContact NH2-OD2 3.06Å |
| 1141 | R | 85.3 | Confident | 85.4 | Confident | 201 Ų | 201 | 64.8 Ų | 64.8 | 76% | 0.758 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -51.6 | -27.4 | 174.2 | -67.3 | -175.8 | -178.2 | 174.9 | 1.1 | 114.2 | P1139 E1144 A1145 | P1139-R1141 PolarHBondContact O-N 3.39Å; R1141-E1144 PolarHBondContact O-N 3.37Å; R1141-A1145 WeakPolarHBondContact O-CB 3.46Å; R1141-A1145 PolarHBondContact O-N 3.01Å |
| 1142 | V | 84.5 | Confident | 84.8 | Confident | 45 Ų | 45 | 64.6 Ų | 64.6 | 27% | 0.273 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65 | -39.3 | 176.5 | 177.1 | 0 | 0 | 0 | 0 | 111.4 | L1096 L1138 P1139 R1140 H1146 | L1096-V1142 HydrophobicContact CD1-CG1 4Å; L1138-V1142 HydrophobicContact CB-CG2 4.28Å; L1138-V1142 HydrophobicContact CD1-CG1 4.46Å; P1139-V1142 HydrophobicContact CG-CG2 4.11Å; P1139-V1142 WeakPolarHBondContact O-CB 3.35Å; P1139-V1142 WeakPolarHBondContact O-CG2 3.5Å; P1139-V1142 PolarHBondContact O-N 2.89Å; R1140-V1142 PolarHBondContact O-N 3.18Å; V1142-H1146 PolarHBondContact O-CD2 2.91Å |
| 1143 | A | 83.8 | Confident | 84.2 | Confident | 2 Ų | 2 | 68.4 Ų | 68.4 | 2% | 0.017 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -76.8 | -40.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1129 V1133 R1140 A1145 H1146 V1147 F1152 | L1129-A1143 HydrophobicContact CB-CB 4.43Å; V1133-A1143 HydrophobicContact CG2-CB 3.89Å; R1140-A1143 PolarHBondContact O-N 3.45Å; A1143-A1145 PolarHBondContact O-N 2.77Å; A1143-H1146 PolarHBondContact O-N 3.37Å; A1143-V1147 PolarHBondContact O-N 3.44Å; A1143-F1152 HydrophobicContact CB-CE2 4.18Å; A1143-F1152 HydrophobicContact CB-CZ 4.15Å |
| 1144 | E | 83.6 | Confident | 83.4 | Confident | 51 Ų | 51 | 72.9 Ų | 72.9 | 24% | 0.238 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63.5 | -24.2 | 178.9 | -63.7 | 173.5 | 166.2 | 0 | 0 | 113.1 | R1140 R1141 H1146 V1147 N1149 | R1140-E1144 WeakPolarHBondContact CD-OE1 3.49Å; R1140-E1144 HydrophobicContact CG-CG 4.19Å; R1140-E1144 WeakPolarHBondContact CG-OE1 3.43Å; R1140-E1144 IonicContact CZ-OE1 2.77Å; R1140-E1144 IonicContact NE-OE1 3.44Å; R1140-E1144 PolarHBondContact NE-OE1 3.21Å; R1140-E1144 IonicContact NH2-OE1 3.53Å; R1140-E1144 PolarHBondContact O-N 3.01Å; R1140-E1144 VanDerWaalsContact O-N 3.16Å; R1141-E1144 PolarHBondContact O-N 3.37Å; E1144-H1146 PolarHBondContact O-N 3.09Å; E1144-H1146 VanDerWaalsContact O-N 3.15Å; E1144-V1147 WeakPolarHBondContact CA-O 3.45Å; E1144-N1149 WeakPolarHBondContact CB-OD1 3.49Å; E1144-N1149 VanDerWaalsContact CG-OD1 3.26Å; E1144-N1149 WeakPolarHBondContact CG-OD1 3.36Å |
| 1145 | A | 85.6 | Confident | 82.8 | Confident | 69 Ų | 69 | 66.4 Ų | 66.4 | 57% | 0.57 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -17.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | R1141 A1143 | R1141-A1145 WeakPolarHBondContact O-CB 3.46Å; R1141-A1145 PolarHBondContact O-N 3.01Å; A1143-A1145 PolarHBondContact O-N 2.77Å |
| 1146 | H | 86.7 | Confident | 81.8 | Confident | 52 Ų | 52 | 70.5 Ų | 70.5 | 24% | 0.241 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.9 | -19 | -175.2 | -58.9 | -63.3 | 0 | 0 | 0 | 114.1 | V1142 A1143 E1144 | V1142-H1146 PolarHBondContact O-CD2 2.91Å; A1143-H1146 PolarHBondContact O-N 3.37Å; E1144-H1146 PolarHBondContact O-N 3.09Å; E1144-H1146 VanDerWaalsContact O-N 3.15Å |
| 1147 | V | 85.6 | Confident | 80.7 | Confident | 2 Ų | 2 | 74.4 Ų | 74.4 | 1% | 0.012 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -132.8 | 132.7 | -179.3 | -178.7 | 0 | 0 | 0 | 0 | 109.9 | I1103 L1126 L1129 A1143 E1144 I1151 | I1103-V1147 HydrophobicContact CB-CG2 4.46Å; I1103-V1147 HydrophobicContact CD1-CG2 3.88Å; I1103-V1147 HydrophobicContact CG2-CG1 4.07Å; I1103-V1147 HydrophobicContact CG2-CG2 4.43Å; L1126-V1147 HydrophobicContact CD2-CG1 4.04Å; L1129-V1147 HydrophobicContact CD1-CG2 3.73Å; A1143-V1147 PolarHBondContact O-N 3.44Å; E1144-V1147 WeakPolarHBondContact CA-O 3.45Å; V1147-I1151 HydrophobicContact CG1-CB 4.19Å; V1147-I1151 HydrophobicContact CG1-CG2 4.27Å |
| 1148 | P | 84.1 | Confident | 79.2 | Confident | 53 Ų | 53 | 69.4 Ų | 69.4 | 34% | 0.344 | 35% | 0.351 | S | S | . | . | trans | -56.5 | 137.5 | 176 | -25.4 | 33.5 | 0 | 0 | 0 | 113.7 | C1104 F1150 I1151 F1152 | C1104-P1148 VanDerWaalsContact SG-CD 3.58Å; P1148-F1150 VanDerWaalsContact C-N 3.29Å; P1148-F1150 HydrophobicContact CB-CD1 3.68Å; P1148-F1150 HydrophobicContact CB-CE1 3.51Å; P1148-F1150 HydrophobicContact CB-CZ 4.49Å; P1148-F1150 HydrophobicContact CG-CE1 4.22Å; P1148-F1150 PolarHBondContact O-N 2.66Å; P1148-I1151 HydrophobicContact CB-CD1 4.4Å; P1148-I1151 HydrophobicContact CB-CG1 4.43Å; P1148-I1151 HydrophobicContact CG-CD1 4.19Å; P1148-I1151 PolarHBondContact O-N 2.93Å; P1148-I1151 VanDerWaalsContact O-N 3.13Å; P1148-F1152 PolarHBondContact O-N 3.33Å | ||
| 1149 | N | 81.3 | Confident | 77.4 | Confident | 80 Ų | 80 | 70.3 Ų | 70.3 | 43% | 0.428 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -54.4 | -40.4 | -175.6 | -67.8 | 1.3 | 0 | 0 | 0 | 113.7 | E1144 I1151 F1152 D1153 | E1144-N1149 WeakPolarHBondContact CB-OD1 3.49Å; E1144-N1149 VanDerWaalsContact CG-OD1 3.26Å; E1144-N1149 WeakPolarHBondContact CG-OD1 3.36Å; N1149-I1151 VanDerWaalsContact C-N 3.34Å; N1149-I1151 PolarHBondContact O-N 3.11Å; N1149-F1152 CarbonylContact O-C 3.57Å; N1149-F1152 PolarHBondContact O-N 3.07Å; N1149-F1152 VanDerWaalsContact O-N 3.09Å; N1149-D1153 PolarHBondContact O-N 3.41Å |
| 1150 | F | 79.1 | Confident | 77 | Confident | 129 Ų | 129 | 69.8 Ų | 69.8 | 57% | 0.566 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -62.2 | -39 | -178.4 | 78.5 | -91.4 | 0 | 0 | 0 | 112.7 | P1148 F1152 D1153 E1154 | P1148-F1150 VanDerWaalsContact C-N 3.29Å; P1148-F1150 HydrophobicContact CB-CD1 3.68Å; P1148-F1150 HydrophobicContact CB-CE1 3.51Å; P1148-F1150 HydrophobicContact CB-CZ 4.49Å; P1148-F1150 HydrophobicContact CG-CE1 4.22Å; P1148-F1150 PolarHBondContact O-N 2.66Å; F1150-F1152 VanDerWaalsContact C-N 3.29Å; F1150-F1152 PolarHBondContact O-N 3.15Å; F1150-D1153 PolarHBondContact O-N 3.17Å; F1150-E1154 WeakPolarHBondContact O-CB 3.31Å; F1150-E1154 PolarHBondContact O-N 2.74Å |
| 1151 | I | 80.2 | Confident | 76.6 | Confident | 12 Ų | 12 | 68.4 Ų | 68.4 | 6% | 0.062 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -65.8 | -39.7 | 176.5 | -59.4 | -179.5 | 0 | 0 | 0 | 109.4 | I1103 V1107 L1126 V1147 P1148 N1149 F1155 | I1103-I1151 HydrophobicContact CG2-CG2 4.2Å; V1107-I1151 HydrophobicContact CB-CD1 4.48Å; V1107-I1151 HydrophobicContact CG1-CD1 4.13Å; L1126-I1151 HydrophobicContact CD1-CG2 3.93Å; L1126-I1151 HydrophobicContact CD2-CG2 4.17Å; V1147-I1151 HydrophobicContact CG1-CB 4.19Å; V1147-I1151 HydrophobicContact CG1-CG2 4.27Å; P1148-I1151 HydrophobicContact CB-CD1 4.4Å; P1148-I1151 HydrophobicContact CB-CG1 4.43Å; P1148-I1151 HydrophobicContact CG-CD1 4.19Å; P1148-I1151 PolarHBondContact O-N 2.93Å; P1148-I1151 VanDerWaalsContact O-N 3.13Å; N1149-I1151 VanDerWaalsContact C-N 3.34Å; N1149-I1151 PolarHBondContact O-N 3.11Å; I1151-F1155 WeakPolarHBondContact O-CB 3.47Å; I1151-F1155 PolarHBondContact O-N 3.25Å |
| 1152 | F | 77.8 | Confident | 76.2 | Confident | 13 Ų | 13 | 61 Ų | 61 | 6% | 0.057 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -73 | -26.6 | -178.3 | -151.8 | -95.6 | 0 | 0 | 0 | 113.3 | L1126 L1129 E1130 R1140 A1143 P1148 N1149 F1150 F1155 | L1126-F1152 HydrophobicContact CD2-CD2 3.77Å; L1126-F1152 HydrophobicContact CD2-CE2 4.3Å; L1129-F1152 HydrophobicContact CB-CE2 3.96Å; L1129-F1152 HydrophobicContact CB-CZ 4.46Å; E1130-F1152 HydrophobicContact CB-CZ 4.06Å; R1140-F1152 HydrophobicContact CG-CE1 4.38Å; A1143-F1152 HydrophobicContact CB-CE2 4.18Å; A1143-F1152 HydrophobicContact CB-CZ 4.15Å; P1148-F1152 PolarHBondContact O-N 3.33Å; N1149-F1152 CarbonylContact O-C 3.57Å; N1149-F1152 PolarHBondContact O-N 3.07Å; N1149-F1152 VanDerWaalsContact O-N 3.09Å; F1150-F1152 VanDerWaalsContact C-N 3.29Å; F1150-F1152 PolarHBondContact O-N 3.15Å; F1152-F1155 WeakPolarHBondContact O-CD1 3.33Å; F1152-F1155 VanDerWaalsContact O-CE1 3.28Å; F1152-F1155 WeakPolarHBondContact O-CE1 3.44Å |
| 1153 | D | 78.2 | Confident | 75.7 | Confident | 92 Ų | 92 | 61.9 Ų | 61.9 | 49% | 0.492 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -86.8 | -34.8 | 177.7 | -73.5 | -40.1 | 0 | 0 | 0 | 113.3 | R1140 N1149 F1150 | R1140-D1153 IonicContact CZ-OD1 2.93Å; R1140-D1153 VanDerWaalsContact CZ-OD1 3.25Å; R1140-D1153 IonicContact NH1-OD1 2.82Å; R1140-D1153 PolarHBondContact NH1-OD1 3.06Å; R1140-D1153 VanDerWaalsContact NH2-CG 3.28Å; R1140-D1153 IonicContact NH2-OD1 3.25Å; R1140-D1153 PolarHBondContact NH2-OD1 2.84Å; R1140-D1153 IonicContact NH2-OD2 2.66Å; R1140-D1153 PolarHBondContact NH2-OD2 3.06Å; N1149-D1153 PolarHBondContact O-N 3.41Å; F1150-D1153 PolarHBondContact O-N 3.17Å |
| 1154 | E | 72.4 | Confident | 75.2 | Confident | 113 Ų | 113 | 65.7 Ų | 65.7 | 53% | 0.528 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -98.4 | -7.8 | -171.2 | -63.9 | -167.9 | 162.1 | 0 | 0 | 114.7 | F1150 R1156 T1157 V1158 | F1150-E1154 WeakPolarHBondContact O-CB 3.31Å; F1150-E1154 PolarHBondContact O-N 2.74Å; E1154-R1156 PolarHBondContact O-N 3.49Å; E1154-T1157 WeakPolarHBondContact CA-OG1 3.43Å; E1154-T1157 PolarHBondContact O-N 3.4Å; E1154-T1157 PolarHBondContact O-OG1 3.1Å; E1154-V1158 HydrophobicContact CB-CG2 4.39Å; E1154-V1158 VanDerWaalsContact O-CG2 3.31Å; E1154-V1158 WeakPolarHBondContact O-CG2 3.22Å; E1154-V1158 PolarHBondContact O-N 2.98Å; E1154-V1158 VanDerWaalsContact O-N 3.15Å |
| 1155 | F | 75.8 | Confident | 74.6 | Confident | 4 Ų | 4 | 66.7 Ų | 66.7 | 2% | 0.018 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -19.9 | -174.7 | 80.4 | -87.8 | 0 | 0 | 0 | 114.5 | I1118 V1123 L1126 L1127 E1130 I1151 F1152 L1159 | I1118-F1155 HydrophobicContact CD1-CB 4.19Å; V1123-F1155 HydrophobicContact CG1-CD2 4.32Å; L1126-F1155 HydrophobicContact CB-CD1 4.21Å; L1126-F1155 HydrophobicContact CB-CD2 4.11Å; L1126-F1155 HydrophobicContact CB-CE1 4.27Å; L1126-F1155 HydrophobicContact CB-CE2 4.18Å; L1126-F1155 HydrophobicContact CB-CG 4.13Å; L1126-F1155 HydrophobicContact CB-CZ 4.24Å; L1126-F1155 HydrophobicContact CD1-CB 3.56Å; L1126-F1155 HydrophobicContact CD1-CD1 4.18Å; L1126-F1155 HydrophobicContact CD1-CD2 4.27Å; L1126-F1155 HydrophobicContact CD1-CG 3.75Å; L1126-F1155 HydrophobicContact CG-CG 4.49Å; L1127-F1155 HydrophobicContact CD2-CE2 3.66Å; L1127-F1155 HydrophobicContact CD2-CZ 3.89Å; L1127-F1155 HydrophobicContact CG-CE2 3.75Å; L1127-F1155 HydrophobicContact CG-CZ 4.27Å; E1130-F1155 WeakPolarHBondContact OE2-CZ 3.36Å; I1151-F1155 WeakPolarHBondContact O-CB 3.47Å; I1151-F1155 PolarHBondContact O-N 3.25Å; F1152-F1155 WeakPolarHBondContact O-CD1 3.33Å; F1152-F1155 VanDerWaalsContact O-CE1 3.28Å; F1152-F1155 WeakPolarHBondContact O-CE1 3.44Å; F1155-L1159 WeakPolarHBondContact O-CD1 3.18Å; F1155-L1159 VanDerWaalsContact O-CG 3.31Å; F1155-L1159 WeakPolarHBondContact O-CG 3.31Å |
| 1156 | R | 67.9 | Low | 73.8 | Confident | 109 Ų | 109 | 66.5 Ų | 66.5 | 41% | 0.411 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -21.6 | 175.9 | -67.6 | -175.4 | 175.3 | -169.6 | -3.2 | 113.8 | E1130 E1154 | E1130-R1156 IonicContact OE1-CZ 2.68Å; E1130-R1156 VanDerWaalsContact OE1-CZ 3.26Å; E1130-R1156 IonicContact OE1-NH1 2.62Å; E1130-R1156 IonicContact OE1-NH2 3.25Å; E1130-R1156 PolarHBondContact OE1-NH2 3.12Å; E1130-R1156 IonicContact OE2-CZ 3.4Å; E1130-R1156 VanDerWaalsContact OE2-CZ 3.25Å; E1130-R1156 IonicContact OE2-NE 3.58Å; E1130-R1156 PolarHBondContact OE2-NE 3.29Å; E1130-R1156 IonicContact OE2-NH2 3.05Å; E1130-R1156 PolarHBondContact OE2-NH2 3.2Å; E1154-R1156 PolarHBondContact O-N 3.49Å |
| 1157 | T | 61.2 | Low | 72.8 | Confident | 112 Ų | 112 | 67.6 Ų | 67.6 | 69% | 0.687 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | -22.9 | 178.7 | 50.1 | 0 | 0 | 0 | 0 | 112 | E1154 L1159 | E1154-T1157 WeakPolarHBondContact CA-OG1 3.43Å; E1154-T1157 PolarHBondContact O-N 3.4Å; E1154-T1157 PolarHBondContact O-OG1 3.1Å; T1157-L1159 VanDerWaalsContact C-N 3.29Å; T1157-L1159 PolarHBondContact O-N 3.12Å |
| 1158 | V | 53.9 | Low | 71.8 | Confident | 67 Ų | 67 | 73.1 Ų | 73.1 | 41% | 0.406 | 37% | 0.374 | S | S | . | . | trans | -88.6 | 12.8 | 177.9 | -175.7 | 0 | 0 | 0 | 0 | 112.6 | I1118 E1154 | I1118-V1158 HydrophobicContact CD1-CB 4.22Å; I1118-V1158 HydrophobicContact CD1-CG1 4.14Å; I1118-V1158 HydrophobicContact CG1-CG1 4.14Å; E1154-V1158 HydrophobicContact CB-CG2 4.39Å; E1154-V1158 VanDerWaalsContact O-CG2 3.31Å; E1154-V1158 WeakPolarHBondContact O-CG2 3.22Å; E1154-V1158 PolarHBondContact O-N 2.98Å; E1154-V1158 VanDerWaalsContact O-N 3.15Å | ||
| 1159 | L | 49.3 | Very low | 70.6 | Confident | 93 Ų | 93 | 74.9 Ų | 74.9 | 49% | 0.487 | 38% | 0.376 | S | S | . | . | trans | -105.6 | 0 | -176.2 | -88.1 | 168.7 | 0 | 0 | 0 | 115.7 | Y1056 K1058 V1123 F1155 T1157 | Y1056-L1159 HydrophobicContact CD1-CD1 3.51Å; Y1056-L1159 HydrophobicContact CD1-CG 4.48Å; Y1056-L1159 HydrophobicContact CE1-CD1 3.71Å; Y1056-L1159 HydrophobicContact CG-CD1 4.23Å; K1058-L1159 WeakPolarHBondContact CE-O 3.49Å; K1058-L1159 PolarHBondContact NZ-O 2.82Å; V1123-L1159 HydrophobicContact CG1-CD1 3.59Å; V1123-L1159 HydrophobicContact CG1-CD2 4.19Å; V1123-L1159 HydrophobicContact CG1-CG 4.39Å; V1123-L1159 HydrophobicContact CG2-CD1 4.25Å; V1123-L1159 HydrophobicContact CG2-CD2 3.93Å; V1123-L1159 HydrophobicContact CG2-CG 4.25Å; F1155-L1159 WeakPolarHBondContact O-CD1 3.18Å; F1155-L1159 VanDerWaalsContact O-CG 3.31Å; F1155-L1159 WeakPolarHBondContact O-CG 3.31Å; T1157-L1159 VanDerWaalsContact C-N 3.29Å; T1157-L1159 PolarHBondContact O-N 3.12Å |
Retrieved 1,159 of 1,159 residues in 372.1 ms
(Link to these results)