| 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 | 52.7 | Low | 59.2 | Low | 27 Ų | 27 | 77.2 Ų | 77.2 | 13% | 0.133 | 42% | 0.418 | C | S | . | . | 0 | 114.4 | 0 | -56.8 | -171.9 | 171.3 | 0 | 0 | 106.8 | I33 D35 I40 T59 V60 T71 | M1-I33 WeakPolarHBondContact CA-O 3.5Å; M1-I33 HydrophobicContact CE-CD1 3.42Å; M1-I33 VanDerWaalsContact CE-CD1 3.42Å; M1-I33 HydrophobicContact CE-CG1 3.71Å; M1-I33 HydrophobicContact CG-CG1 3.88Å; M1-I33 HydrophobicContact SD-CD1 4.03Å; M1-I33 HydrophobicContact SD-CG1 4Å; M1-D35 VanDerWaalsContact CB-OD1 3.27Å; M1-D35 WeakPolarHBondContact CB-OD1 3.38Å; M1-I40 HydrophobicContact CE-CG1 4.48Å; M1-I40 HydrophobicContact CE-CG2 4.23Å; M1-I40 HydrophobicContact SD-CB 4.5Å; M1-I40 HydrophobicContact SD-CD1 4.08Å; M1-I40 HydrophobicContact SD-CG1 3.72Å; M1-I40 HydrophobicContact SD-CG2 4.03Å; M1-T59 HydrophobicContact CE-CG2 3.74Å; M1-T59 HydrophobicContact SD-CG2 4.45Å; M1-V60 PolarHBondContact N-O 2.86Å; M1-T71 HydrophobicContact SD-CG2 4.2Å | |||
| 2 | S | 55.5 | Low | 61.3 | Low | 29 Ų | 29 | 72.5 Ų | 72.5 | 20% | 0.203 | 39% | 0.393 | C | S | . | . | trans | -171.6 | 131.2 | 177 | 177.3 | 0 | 0 | 0 | 0 | 108.9 | S4 R5 A6 I33 D35 | S2-S4 VanDerWaalsContact C-N 3.3Å; S2-S4 PolarHBondContact O-N 3.02Å; S2-S4 PolarHBondContact OG-OG 2.83Å; S2-S4 VanDerWaalsContact OG-OG 3.06Å; S2-R5 WeakPolarHBondContact O-CA 3.41Å; S2-R5 WeakPolarHBondContact O-CB 3.27Å; S2-R5 PolarHBondContact O-N 3.32Å; S2-A6 PolarHBondContact O-N 3.28Å; S2-I33 PolarHBondContact N-O 3.26Å; S2-D35 WeakPolarHBondContact CA-OD2 3.29Å; S2-D35 PolarHBondContact N-OD1 2.98Å | ||
| 3 | D | 60 | Low | 63.5 | Low | 44 Ų | 44 | 75.4 Ų | 75.4 | 24% | 0.235 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -53.4 | -46.9 | 178.8 | -56.1 | -32.5 | 0 | 0 | 0 | 111.8 | R5 A6 E7 D35 R68 | D3-R5 PolarHBondContact O-N 3.41Å; D3-R5 VanDerWaalsContact O-N 3.16Å; D3-A6 PolarHBondContact O-N 3.37Å; D3-A6 VanDerWaalsContact O-N 3.15Å; D3-E7 WeakPolarHBondContact O-CB 3.42Å; D3-E7 WeakPolarHBondContact O-CG 3.34Å; D3-E7 PolarHBondContact O-N 3.41Å; D3-D35 PolarHBondContact OD1-N 3.13Å; D3-R68 IonicContact OD1-NH2 2.78Å; D3-R68 PolarHBondContact OD1-NH2 2.99Å; D3-R68 IonicContact OD2-CZ 3.07Å; D3-R68 IonicContact OD2-NE 3.28Å; D3-R68 PolarHBondContact OD2-NE 3.27Å; D3-R68 IonicContact OD2-NH2 3.79Å; D3-R68 PolarHBondContact OD2-NH2 3.28Å |
| 4 | S | 61.3 | Low | 65.4 | Low | 36 Ų | 36 | 70.1 Ų | 70.1 | 25% | 0.252 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.3 | -27.9 | 176.6 | 64.3 | 0 | 0 | 0 | 0 | 113.9 | S2 T9 R10 | S2-S4 VanDerWaalsContact C-N 3.3Å; S2-S4 PolarHBondContact O-N 3.02Å; S2-S4 PolarHBondContact OG-OG 2.83Å; S2-S4 VanDerWaalsContact OG-OG 3.06Å; S4-T9 PolarHBondContact O-N 2.93Å; S4-T9 PolarHBondContact O-OG1 3.13Å; S4-R10 PolarHBondContact O-N 3.44Å |
| 5 | R | 58.7 | Low | 67 | Low | 30 Ų | 30 | 65.8 Ų | 65.8 | 11% | 0.113 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -84.1 | -38.2 | 177 | -63.5 | -179.6 | 169.8 | 169.8 | 3.9 | 111.2 | S2 D3 E7 G8 R10 D12 S14 V32 | S2-R5 WeakPolarHBondContact O-CA 3.41Å; S2-R5 WeakPolarHBondContact O-CB 3.27Å; S2-R5 PolarHBondContact O-N 3.32Å; D3-R5 PolarHBondContact O-N 3.41Å; D3-R5 VanDerWaalsContact O-N 3.16Å; R5-E7 VanDerWaalsContact C-N 3.32Å; R5-G8 PolarHBondContact O-N 3.16Å; R5-G8 VanDerWaalsContact O-N 3.08Å; R5-R10 HydrophobicContact CG-CB 4.36Å; R5-D12 IonicContact CZ-OD1 3.18Å; R5-D12 IonicContact NE-OD1 3.55Å; R5-D12 IonicContact NH1-OD1 2.64Å; R5-D12 PolarHBondContact NH1-OD1 3.45Å; R5-D12 IonicContact NH2-OD1 3.97Å; R5-S14 PolarHBondContact NH1-OG 3.03Å; R5-S14 PolarHBondContact NH2-OG 3.07Å; R5-V32 HydrophobicContact CB-CG1 3.58Å |
| 6 | A | 58.5 | Low | 68.6 | Low | 42 Ų | 42 | 64.8 Ų | 64.8 | 35% | 0.347 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -65.3 | -36.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | S2 D3 G8 V32 P34 | S2-A6 PolarHBondContact O-N 3.28Å; D3-A6 PolarHBondContact O-N 3.37Å; D3-A6 VanDerWaalsContact O-N 3.15Å; A6-G8 PolarHBondContact O-N 3.4Å; A6-V32 HydrophobicContact CB-CG1 4.34Å; A6-P34 HydrophobicContact CB-CG 4Å |
| 7 | E | 60.7 | Low | 70.1 | Confident | 146 Ų | 146 | 61.6 Ų | 61.6 | 68% | 0.682 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -2.3 | 173 | -67 | 176 | 174.7 | 0 | 0 | 113.5 | D3 R5 T9 | D3-E7 WeakPolarHBondContact O-CB 3.42Å; D3-E7 WeakPolarHBondContact O-CG 3.34Å; D3-E7 PolarHBondContact O-N 3.41Å; R5-E7 VanDerWaalsContact C-N 3.32Å; E7-T9 HydrophobicContact CB-CG2 4.23Å; E7-T9 PolarHBondContact O-N 3.32Å |
| 8 | G | 57.9 | Low | 71.5 | Confident | 64 Ų | 64 | 58.9 Ų | 58.9 | 66% | 0.66 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.1 | 7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | R5 A6 | R5-G8 PolarHBondContact O-N 3.16Å; R5-G8 VanDerWaalsContact O-N 3.08Å; A6-G8 PolarHBondContact O-N 3.4Å |
| 9 | T | 51.8 | Low | 72.7 | Confident | 105 Ų | 105 | 59.1 Ų | 59.1 | 64% | 0.644 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -81.1 | -18.4 | -176.5 | 60.7 | 0 | 0 | 0 | 0 | 113.2 | S4 E7 | S4-T9 PolarHBondContact O-N 2.93Å; S4-T9 PolarHBondContact O-OG1 3.13Å; E7-T9 HydrophobicContact CB-CG2 4.23Å; E7-T9 PolarHBondContact O-N 3.32Å |
| 10 | R | 60.5 | Low | 73.8 | Confident | 153 Ų | 153 | 63.3 Ų | 63.3 | 58% | 0.577 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -132.5 | 135.1 | 175.2 | -163.1 | 174.9 | -174.1 | -171.1 | 3.3 | 111.8 | S4 R5 | S4-R10 PolarHBondContact O-N 3.44Å; R5-R10 HydrophobicContact CG-CB 4.36Å |
| 11 | K | 73.1 | Confident | 74.7 | Confident | 173 Ų | 173 | 62.1 Ų | 62.1 | 75% | 0.752 | 34% | 0.338 | S | S | * | . | trans | -63 | 135.8 | 176.7 | -133.4 | 177.3 | -175.7 | -179.5 | 0 | 110.6 | E13 | K11-E13 HydrophobicContact CB-CG 4.42Å; K11-E13 PolarHBondContact O-N 2.62Å | ||
| 12 | D | 85.5 | Confident | 76.7 | Confident | 21 Ų | 21 | 62.5 Ų | 62.5 | 11% | 0.112 | 34% | 0.341 | C | S | . | . | trans | -79.2 | 72.6 | 174.2 | -167 | -2.6 | 0 | 0 | 0 | 111.5 | R5 S14 G15 S16 Y30 V32 | R5-D12 IonicContact CZ-OD1 3.18Å; R5-D12 IonicContact NE-OD1 3.55Å; R5-D12 IonicContact NH1-OD1 2.64Å; R5-D12 PolarHBondContact NH1-OD1 3.45Å; R5-D12 IonicContact NH2-OD1 3.97Å; D12-S14 VanDerWaalsContact C-N 3.28Å; D12-S14 PolarHBondContact O-N 2.89Å; D12-G15 PolarHBondContact OD1-N 3.45Å; D12-S16 VanDerWaalsContact O-CB 3.3Å; D12-S16 WeakPolarHBondContact O-CB 3.09Å; D12-S16 PolarHBondContact O-N 2.82Å; D12-Y30 WeakPolarHBondContact CB-OH 3.38Å; D12-Y30 VanDerWaalsContact CG-OH 3.27Å; D12-Y30 PolarHBondContact OD2-OH 3.11Å; D12-V32 HydrophobicContact CB-CG2 4.26Å; D12-V32 WeakPolarHBondContact OD2-CG2 3.49Å | ||
| 13 | E | 89.1 | Confident | 78.4 | Confident | 110 Ų | 110 | 68.9 Ų | 68.9 | 51% | 0.514 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.5 | -36.5 | -179.8 | -64.7 | 176.5 | 169.6 | 0 | 0 | 112.2 | K11 A17 V120 | K11-E13 HydrophobicContact CB-CG 4.42Å; K11-E13 PolarHBondContact O-N 2.62Å; E13-A17 VanDerWaalsContact O-CB 3.28Å; E13-A17 WeakPolarHBondContact O-CB 3.46Å; E13-A17 PolarHBondContact O-N 2.95Å; E13-V120 HydrophobicContact CB-CG2 3.89Å |
| 14 | S | 89.9 | Confident | 79.7 | Confident | 2 Ų | 2 | 73.6 Ų | 73.6 | 1% | 0.014 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -72.8 | -43.9 | -177.5 | -38.3 | 0 | 0 | 0 | 0 | 111.2 | R5 D12 A17 L18 G118 | R5-S14 PolarHBondContact NH1-OG 3.03Å; R5-S14 PolarHBondContact NH2-OG 3.07Å; D12-S14 VanDerWaalsContact C-N 3.28Å; D12-S14 PolarHBondContact O-N 2.89Å; S14-A17 PolarHBondContact O-N 3.27Å; S14-L18 PolarHBondContact O-N 2.8Å; S14-L18 VanDerWaalsContact O-N 3.07Å; S14-G118 WeakPolarHBondContact CB-O 3.32Å; S14-G118 PolarHBondContact OG-O 3.28Å |
| 15 | G | 90.4 | Very high | 81.3 | Confident | 5 Ų | 5 | 75.3 Ų | 75.3 | 5% | 0.052 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -61.6 | -45.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | D12 A17 L18 L19 | D12-G15 PolarHBondContact OD1-N 3.45Å; G15-A17 VanDerWaalsContact C-N 3.32Å; G15-A17 PolarHBondContact O-N 2.91Å; G15-L18 PolarHBondContact O-N 2.69Å; G15-L19 WeakPolarHBondContact O-CG 3.43Å; G15-L19 PolarHBondContact O-N 2.57Å |
| 16 | S | 91.9 | Very high | 83 | Confident | 49 Ų | 49 | 82.6 Ų | 82.6 | 34% | 0.343 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -60.5 | -39.7 | 175.5 | -174.5 | 0 | 0 | 0 | 0 | 112.7 | D12 L19 Q20 | D12-S16 VanDerWaalsContact O-CB 3.3Å; D12-S16 WeakPolarHBondContact O-CB 3.09Å; D12-S16 PolarHBondContact O-N 2.82Å; S16-L19 PolarHBondContact O-N 3.39Å; S16-Q20 VanDerWaalsContact O-CG 3.29Å; S16-Q20 WeakPolarHBondContact O-CG 3.32Å; S16-Q20 PolarHBondContact O-N 3.06Å; S16-Q20 PolarHBondContact OG-NE2 2.93Å |
| 17 | A | 94 | Very high | 84.8 | Confident | 11 Ų | 11 | 83.8 Ų | 83.8 | 9% | 0.091 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -66.2 | -38.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | E13 S14 G15 A21 V120 | E13-A17 VanDerWaalsContact O-CB 3.28Å; E13-A17 WeakPolarHBondContact O-CB 3.46Å; E13-A17 PolarHBondContact O-N 2.95Å; S14-A17 PolarHBondContact O-N 3.27Å; G15-A17 VanDerWaalsContact C-N 3.32Å; G15-A17 PolarHBondContact O-N 2.91Å; A17-A21 PolarHBondContact O-N 2.99Å; A17-V120 HydrophobicContact CB-CG1 3.76Å; A17-V120 HydrophobicContact CB-CG2 4.5Å |
| 18 | L | 95.2 | Very high | 86.4 | Confident | 13 Ų | 13 | 81.3 Ų | 81.3 | 7% | 0.068 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -64.7 | -47.6 | 174.2 | -176.4 | 55.9 | 0 | 0 | 0 | 111.1 | S14 G15 Q20 A21 I22 I58 V60 F116 V123 W127 | S14-L18 PolarHBondContact O-N 2.8Å; S14-L18 VanDerWaalsContact O-N 3.07Å; G15-L18 PolarHBondContact O-N 2.69Å; L18-Q20 PolarHBondContact O-N 2.99Å; L18-A21 PolarHBondContact O-N 2.99Å; L18-I22 HydrophobicContact CD1-CD1 4.46Å; L18-I22 HydrophobicContact CG-CD1 4.16Å; L18-I22 WeakPolarHBondContact O-CG1 3.26Å; L18-I22 PolarHBondContact O-N 3.44Å; L18-I58 HydrophobicContact CD2-CB 4.11Å; L18-I58 HydrophobicContact CD2-CD1 4.32Å; L18-I58 HydrophobicContact CD2-CG2 3.71Å; L18-V60 HydrophobicContact CD2-CG2 3.96Å; L18-F116 HydrophobicContact CD1-CE2 4.16Å; L18-V123 HydrophobicContact CB-CG1 3.67Å; L18-V123 HydrophobicContact CD1-CG1 4.14Å; L18-V123 HydrophobicContact CG-CG1 4.35Å; L18-W127 HydrophobicContact CD1-CB 4.1Å; L18-W127 HydrophobicContact CD1-CD2 3.85Å; L18-W127 HydrophobicContact CD1-CE3 3.77Å; L18-W127 HydrophobicContact CD1-CG 4Å |
| 19 | L | 94.5 | Very high | 88.1 | Confident | 63 Ų | 63 | 81.4 Ų | 81.4 | 33% | 0.33 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -57.8 | -38.6 | 179.1 | -71.2 | 175.9 | 0 | 0 | 0 | 112.4 | G15 S16 A21 I22 V27 Y30 | G15-L19 WeakPolarHBondContact O-CG 3.43Å; G15-L19 PolarHBondContact O-N 2.57Å; S16-L19 PolarHBondContact O-N 3.39Å; L19-A21 VanDerWaalsContact C-N 3.31Å; L19-A21 PolarHBondContact O-N 3.18Å; L19-I22 PolarHBondContact O-N 2.82Å; L19-V27 HydrophobicContact CD2-CB 4.41Å; L19-V27 HydrophobicContact CD2-CG1 3.72Å; L19-V27 HydrophobicContact CD2-CG2 3.95Å; L19-Y30 HydrophobicContact CD1-CD1 4.42Å; L19-Y30 HydrophobicContact CD1-CD2 3.68Å; L19-Y30 HydrophobicContact CD1-CE2 3.83Å; L19-Y30 HydrophobicContact CD1-CG 3.97Å; L19-Y30 HydrophobicContact CD2-CD2 4.2Å; L19-Y30 HydrophobicContact CG-CD2 4.14Å; L19-Y30 HydrophobicContact CG-CE2 4.37Å |
| 20 | Q | 93.9 | Very high | 90.1 | Very high | 143 Ų | 143 | 81.4 Ų | 81.4 | 67% | 0.668 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -70 | -26.4 | 176.7 | -73.2 | 171.2 | 10.6 | 0 | 0 | 113.4 | S16 L18 I22 | S16-Q20 VanDerWaalsContact O-CG 3.29Å; S16-Q20 WeakPolarHBondContact O-CG 3.32Å; S16-Q20 PolarHBondContact O-N 3.06Å; S16-Q20 PolarHBondContact OG-NE2 2.93Å; L18-Q20 PolarHBondContact O-N 2.99Å; Q20-I22 VanDerWaalsContact C-N 3.34Å |
| 21 | A | 94.1 | Very high | 91.6 | Very high | 38 Ų | 38 | 77.3 Ų | 77.3 | 31% | 0.314 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -84.4 | -11.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | A17 L18 L19 E23 W127 | A17-A21 PolarHBondContact O-N 2.99Å; L18-A21 PolarHBondContact O-N 2.99Å; L19-A21 VanDerWaalsContact C-N 3.31Å; L19-A21 PolarHBondContact O-N 3.18Å; A21-E23 PolarHBondContact O-N 3.18Å; A21-W127 VanDerWaalsContact CB-CD1 3.47Å; A21-W127 HydrophobicContact CB-CG 4.26Å; A21-W127 PolarHBondContact O-NE1 3.21Å |
| 22 | I | 94.4 | Very high | 92.5 | Very high | 35 Ų | 35 | 71.2 Ų | 71.2 | 18% | 0.179 | 38% | 0.376 | C | S | . | . | trans | -86.9 | 100.8 | 178.7 | -65.5 | 165.6 | 0 | 0 | 0 | 109.2 | L18 L19 Q20 F25 V27 W127 | L18-I22 HydrophobicContact CD1-CD1 4.46Å; L18-I22 HydrophobicContact CG-CD1 4.16Å; L18-I22 WeakPolarHBondContact O-CG1 3.26Å; L18-I22 PolarHBondContact O-N 3.44Å; L19-I22 PolarHBondContact O-N 2.82Å; Q20-I22 VanDerWaalsContact C-N 3.34Å; I22-F25 HydrophobicContact CG2-CB 3.74Å; I22-F25 HydrophobicContact CG2-CD2 4.36Å; I22-F25 WeakPolarHBondContact CG2-O 3.18Å; I22-V27 HydrophobicContact CB-CG2 4.33Å; I22-V27 HydrophobicContact CD1-CG2 3.93Å; I22-V27 HydrophobicContact CG2-CG2 3.93Å; I22-W127 HydrophobicContact CB-CZ2 4.34Å; I22-W127 HydrophobicContact CG1-CH2 3.79Å; I22-W127 HydrophobicContact CG1-CZ2 3.62Å; I22-W127 HydrophobicContact CG1-CZ3 4.38Å | ||
| 23 | E | 90.3 | Very high | 92.8 | Very high | 164 Ų | 164 | 71 Ų | 71 | 77% | 0.766 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -102.8 | -43.3 | 177.8 | -64.1 | -174.7 | 161.8 | 0 | 0 | 112.8 | A21 | A21-E23 PolarHBondContact O-N 3.18Š|
| 24 | N | 88.6 | Confident | 92.9 | Very high | 143 Ų | 143 | 68 Ų | 68 | 77% | 0.765 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -100.5 | 12.1 | -171.4 | -62.7 | -50.5 | 0 | 0 | 0 | 114.1 | ||
| 25 | F | 94.3 | Very high | 93 | Very high | 72 Ų | 72 | 68.8 Ų | 68.8 | 32% | 0.316 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -127 | 148.6 | 177.5 | -54 | -92.3 | 0 | 0 | 0 | 110.5 | I22 W127 L134 | I22-F25 HydrophobicContact CG2-CB 3.74Å; I22-F25 HydrophobicContact CG2-CD2 4.36Å; I22-F25 WeakPolarHBondContact CG2-O 3.18Å; F25-W127 AromaticContact CD2-CH2 3.81Å; F25-W127 HydrophobicContact CD2-CH2 3.81Å; F25-W127 AromaticContact CD2-CZ2 3.96Å; F25-W127 HydrophobicContact CD2-CZ2 3.96Å; F25-W127 AromaticContact CE2-CH2 3.87Å; F25-W127 HydrophobicContact CE2-CH2 3.87Å; F25-W127 AromaticContact CE2-CZ2 4Å; F25-W127 HydrophobicContact CE2-CZ2 4Å; F25-L134 HydrophobicContact CE1-CB 3.84Å; F25-L134 HydrophobicContact CE1-CD1 4.05Å; F25-L134 HydrophobicContact CE2-CD1 4.28Å; F25-L134 HydrophobicContact CZ-CB 3.83Å; F25-L134 HydrophobicContact CZ-CD1 3.88Å; F25-L134 HydrophobicContact CZ-CG 4.46Å |
| 26 | K | 95 | Very high | 93.3 | Very high | 183 Ų | 183 | 72.6 Ų | 72.6 | 80% | 0.796 | 39% | 0.385 | S | S | * | . | trans | -84.8 | 116.2 | 174.4 | -174.7 | -178.5 | -179.9 | -177.6 | 0 | 109.9 | V28 | K26-V28 HydrophobicContact CD-CG1 4.08Å; K26-V28 HydrophobicContact CG-CG1 4.06Å; K26-V28 PolarHBondContact O-N 2.77Å | ||
| 27 | V | 95.3 | Very high | 93.6 | Very high | 67 Ų | 67 | 73.9 Ų | 73.9 | 41% | 0.406 | 39% | 0.385 | S | S | . | . | trans | -76 | 113.6 | 167.6 | -177.6 | 0 | 0 | 0 | 0 | 108.6 | L19 I22 | L19-V27 HydrophobicContact CD2-CB 4.41Å; L19-V27 HydrophobicContact CD2-CG1 3.72Å; L19-V27 HydrophobicContact CD2-CG2 3.95Å; I22-V27 HydrophobicContact CB-CG2 4.33Å; I22-V27 HydrophobicContact CD1-CG2 3.93Å; I22-V27 HydrophobicContact CG2-CG2 3.93Å | ||
| 28 | V | 94.5 | Very high | 93.8 | Very high | 93 Ų | 93 | 75.5 Ų | 75.5 | 56% | 0.564 | 40% | 0.403 | S | S | * | . | trans | -98.1 | -20.5 | -178.7 | -63.7 | 0 | 0 | 0 | 0 | 113.5 | K26 V54 | K26-V28 HydrophobicContact CD-CG1 4.08Å; K26-V28 HydrophobicContact CG-CG1 4.06Å; K26-V28 PolarHBondContact O-N 2.77Å; V28-V54 HydrophobicContact CG2-CG2 3.93Å | ||
| 29 | S | 93.6 | Very high | 93.9 | Very high | 66 Ų | 66 | 80 Ų | 80 | 46% | 0.462 | 42% | 0.423 | S | S | . | . | trans | -154.3 | 147.6 | 178 | -174.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 30 | Y | 93.8 | Very high | 94 | Very high | 106 Ų | 106 | 77 Ų | 77 | 42% | 0.416 | 41% | 0.407 | S | S | . | . | trans | -145.1 | 127.9 | 170.8 | 172 | -98.1 | 0 | 0 | 0 | 108.1 | D12 L19 V32 | D12-Y30 WeakPolarHBondContact CB-OH 3.38Å; D12-Y30 VanDerWaalsContact CG-OH 3.27Å; D12-Y30 PolarHBondContact OD2-OH 3.11Å; L19-Y30 HydrophobicContact CD1-CD1 4.42Å; L19-Y30 HydrophobicContact CD1-CD2 3.68Å; L19-Y30 HydrophobicContact CD1-CE2 3.83Å; L19-Y30 HydrophobicContact CD1-CG 3.97Å; L19-Y30 HydrophobicContact CD2-CD2 4.2Å; L19-Y30 HydrophobicContact CG-CD2 4.14Å; L19-Y30 HydrophobicContact CG-CE2 4.37Å; Y30-V32 HydrophobicContact CE1-CG2 4.16Å | ||
| 31 | C | 91.8 | Very high | 94.3 | Very high | 67 Ų | 67 | 71.3 Ų | 71.3 | 45% | 0.453 | 38% | 0.381 | S | S | . | . | trans | -144.5 | 151.7 | 176.7 | 60.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 32 | V | 92.5 | Very high | 94.4 | Very high | 45 Ų | 45 | 72.6 Ų | 72.6 | 27% | 0.273 | 39% | 0.388 | S | S | . | . | trans | -110.9 | 121.9 | 170.6 | -177.6 | 0 | 0 | 0 | 0 | 106.5 | R5 A6 D12 Y30 | R5-V32 HydrophobicContact CB-CG1 3.58Å; A6-V32 HydrophobicContact CB-CG1 4.34Å; D12-V32 HydrophobicContact CB-CG2 4.26Å; D12-V32 WeakPolarHBondContact OD2-CG2 3.49Å; Y30-V32 HydrophobicContact CE1-CG2 4.16Å | ||
| 33 | I | 91.6 | Very high | 94.6 | Very high | 17 Ų | 17 | 72.2 Ų | 72.2 | 9% | 0.087 | 39% | 0.388 | C | S | . | . | trans | -122.1 | 155.6 | 178.6 | 66.4 | 176.3 | 0 | 0 | 0 | 110.7 | M1 S2 I40 | M1-I33 WeakPolarHBondContact CA-O 3.5Å; M1-I33 HydrophobicContact CE-CD1 3.42Å; M1-I33 VanDerWaalsContact CE-CD1 3.42Å; M1-I33 HydrophobicContact CE-CG1 3.71Å; M1-I33 HydrophobicContact CG-CG1 3.88Å; M1-I33 HydrophobicContact SD-CD1 4.03Å; M1-I33 HydrophobicContact SD-CG1 4Å; S2-I33 PolarHBondContact N-O 3.26Å; I33-I40 HydrophobicContact CD1-CB 4.26Å; I33-I40 HydrophobicContact CD1-CG1 3.83Å; I33-I40 HydrophobicContact CG1-CG1 4.44Å | ||
| 34 | P | 91.1 | Very high | 95 | Very high | 47 Ų | 47 | 64.5 Ų | 64.5 | 31% | 0.305 | 35% | 0.352 | S | S | . | . | trans | -60.7 | 161.9 | 174.5 | -21.3 | 33.5 | 0 | 0 | 0 | 112.7 | A6 E36 | A6-P34 HydrophobicContact CB-CG 4Å; P34-E36 HydrophobicContact CB-CB 4.47Å; P34-E36 HydrophobicContact CB-CG 4.06Å; P34-E36 PolarHBondContact O-N 3.37Å | ||
| 35 | D | 92.3 | Very high | 95.4 | Very high | 17 Ų | 17 | 62 Ų | 62 | 9% | 0.091 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -81.4 | 48.7 | 175.7 | -66.3 | -32 | 0 | 0 | 0 | 111.2 | M1 S2 D3 V70 | M1-D35 VanDerWaalsContact CB-OD1 3.27Å; M1-D35 WeakPolarHBondContact CB-OD1 3.38Å; S2-D35 WeakPolarHBondContact CA-OD2 3.29Å; S2-D35 PolarHBondContact N-OD1 2.98Å; D3-D35 PolarHBondContact OD1-N 3.13Å; D35-V70 WeakPolarHBondContact O-CG2 3.39Å |
| 36 | E | 96.3 | Very high | 95.6 | Very high | 86 Ų | 86 | 61.8 Ų | 61.8 | 40% | 0.402 | 34% | 0.344 | S | S | . | . | trans | -106.9 | 120.9 | 179.8 | -67.7 | -58.5 | 147.2 | 0 | 0 | 109.9 | P34 G38 E39 I40 R68 | P34-E36 HydrophobicContact CB-CB 4.47Å; P34-E36 HydrophobicContact CB-CG 4.06Å; P34-E36 PolarHBondContact O-N 3.37Å; E36-G38 VanDerWaalsContact C-N 3.27Å; E36-G38 PolarHBondContact O-N 3.14Å; E36-E39 HydrophobicContact CB-CB 4.17Å; E36-E39 HydrophobicContact CB-CG 4.01Å; E36-E39 PolarHBondContact O-N 3.41Å; E36-I40 WeakPolarHBondContact O-CG1 3.48Å; E36-I40 PolarHBondContact O-N 3.33Å; E36-R68 IonicContact OE1-CZ 2.8Å; E36-R68 IonicContact OE1-NH1 2.7Å; E36-R68 PolarHBondContact OE1-NH1 3.23Å; E36-R68 IonicContact OE1-NH2 3.74Å; E36-R68 PolarHBondContact OE1-NH2 3.18Å | ||
| 37 | K | 97.7 | Very high | 95.7 | Very high | 76 Ų | 76 | 55.3 Ų | 55.3 | 33% | 0.33 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -54.1 | -44.2 | -171.5 | -173.3 | 178.8 | 175.7 | 178.8 | 0 | 112.2 | I40 E41 V70 E73 A74 N77 | K37-I40 PolarHBondContact O-N 3.34Å; K37-E41 WeakPolarHBondContact CE-OE1 3.48Å; K37-E41 WeakPolarHBondContact O-CG 3.03Å; K37-E41 PolarHBondContact O-N 3.29Å; K37-V70 HydrophobicContact CB-CB 4.26Å; K37-V70 HydrophobicContact CB-CG2 4.04Å; K37-E73 HydrophobicContact CD-CB 4.34Å; K37-A74 HydrophobicContact CG-CB 3.98Å; K37-N77 WeakPolarHBondContact CE-ND2 3.32Å; K37-N77 PolarHBondContact NZ-ND2 3.24Å |
| 38 | G | 98.1 | Very high | 95.8 | Very high | 45 Ų | 45 | 52.1 Ų | 52.1 | 46% | 0.464 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65.2 | -38 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | E36 S42 | E36-G38 VanDerWaalsContact C-N 3.27Å; E36-G38 PolarHBondContact O-N 3.14Å; G38-S42 WeakPolarHBondContact O-CB 3.33Å; G38-S42 PolarHBondContact O-N 2.96Å; G38-S42 PolarHBondContact O-OG 2.96Å |
| 39 | E | 97.3 | Very high | 95.9 | Very high | 106 Ų | 106 | 49.6 Ų | 49.6 | 50% | 0.495 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -68.7 | -41.9 | 177.1 | -69.4 | -67.3 | 172.8 | 0 | 0 | 111.3 | E36 S42 S43 | E36-E39 HydrophobicContact CB-CB 4.17Å; E36-E39 HydrophobicContact CB-CG 4.01Å; E36-E39 PolarHBondContact O-N 3.41Å; E39-S42 PolarHBondContact O-N 3.39Å; E39-S43 WeakPolarHBondContact O-CB 2.96Å; E39-S43 PolarHBondContact O-N 2.95Å; E39-S43 PolarHBondContact O-OG 3.19Å |
| 40 | I | 98.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.8 | -50.8 | 175.4 | -61.8 | 161.9 | 0 | 0 | 0 | 109.9 | M1 I33 E36 K37 S42 S43 L44 V70 A74 | M1-I40 HydrophobicContact CE-CG1 4.48Å; M1-I40 HydrophobicContact CE-CG2 4.23Å; M1-I40 HydrophobicContact SD-CB 4.5Å; M1-I40 HydrophobicContact SD-CD1 4.08Å; M1-I40 HydrophobicContact SD-CG1 3.72Å; M1-I40 HydrophobicContact SD-CG2 4.03Å; I33-I40 HydrophobicContact CD1-CB 4.26Å; I33-I40 HydrophobicContact CD1-CG1 3.83Å; I33-I40 HydrophobicContact CG1-CG1 4.44Å; E36-I40 WeakPolarHBondContact O-CG1 3.48Å; E36-I40 PolarHBondContact O-N 3.33Å; K37-I40 PolarHBondContact O-N 3.34Å; I40-S42 VanDerWaalsContact C-N 3.32Å; I40-S42 PolarHBondContact O-N 2.86Å; I40-S43 PolarHBondContact O-N 3.33Å; I40-L44 HydrophobicContact CG2-CD1 4.01Å; I40-L44 HydrophobicContact CG2-CG 4.29Å; I40-L44 WeakPolarHBondContact O-CB 3.34Å; I40-L44 VanDerWaalsContact O-CG 3.26Å; I40-L44 WeakPolarHBondContact O-CG 3.27Å; I40-L44 PolarHBondContact O-N 3.15Å; I40-V70 HydrophobicContact CD1-CG2 3.89Å; I40-A74 HydrophobicContact CB-CB 3.74Å; I40-A74 HydrophobicContact CG2-CB 3.47Å; I40-A74 VanDerWaalsContact CG2-CB 3.47Å |
| 41 | E | 98.6 | Very high | 95.5 | Very high | 24 Ų | 24 | 49.9 Ų | 49.9 | 11% | 0.112 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.4 | -43.3 | 178.7 | -72.2 | -173.2 | -164.9 | 0 | 0 | 112.4 | K37 L44 R45 A74 N77 V78 | K37-E41 WeakPolarHBondContact CE-OE1 3.48Å; K37-E41 WeakPolarHBondContact O-CG 3.03Å; K37-E41 PolarHBondContact O-N 3.29Å; E41-L44 PolarHBondContact O-N 3.36Å; E41-R45 WeakPolarHBondContact O-CB 3.38Å; E41-R45 VanDerWaalsContact O-CG 3.32Å; E41-R45 WeakPolarHBondContact O-CG 3.41Å; E41-R45 PolarHBondContact O-N 3.5Å; E41-R45 IonicContact OE2-CZ 3.94Å; E41-R45 IonicContact OE2-NH1 3.35Å; E41-R45 PolarHBondContact OE2-NH1 2.77Å; E41-R45 IonicContact OE2-NH2 3.32Å; E41-R45 PolarHBondContact OE2-NH2 3.41Å; E41-A74 HydrophobicContact CG-CB 3.78Å; E41-N77 HydrophobicContact CG-CB 4.44Å; E41-N77 VanDerWaalsContact OE1-CB 3.31Å; E41-N77 WeakPolarHBondContact OE1-CB 3.33Å; E41-N77 PolarHBondContact OE1-ND2 3.05Å; E41-V78 HydrophobicContact CB-CG2 3.95Å; E41-V78 HydrophobicContact CG-CG2 3.96Å |
| 42 | S | 97.9 | Very high | 95.5 | Very high | 66 Ų | 66 | 49.2 Ų | 49.2 | 46% | 0.462 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.2 | -44.4 | 179.8 | -60.4 | 0 | 0 | 0 | 0 | 111.5 | G38 E39 I40 R45 A46 | G38-S42 WeakPolarHBondContact O-CB 3.33Å; G38-S42 PolarHBondContact O-N 2.96Å; G38-S42 PolarHBondContact O-OG 2.96Å; E39-S42 PolarHBondContact O-N 3.39Å; I40-S42 VanDerWaalsContact C-N 3.32Å; I40-S42 PolarHBondContact O-N 2.86Å; S42-R45 PolarHBondContact O-N 2.92Å; S42-A46 WeakPolarHBondContact O-CB 3.15Å; S42-A46 PolarHBondContact O-N 2.95Å |
| 43 | S | 97.6 | Very high | 95.5 | Very high | 27 Ų | 27 | 50.4 Ų | 50.4 | 19% | 0.189 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62 | -45.6 | 176.1 | -61.1 | 0 | 0 | 0 | 0 | 111.6 | E39 I40 A46 L47 | E39-S43 WeakPolarHBondContact O-CB 2.96Å; E39-S43 PolarHBondContact O-N 2.95Å; E39-S43 PolarHBondContact O-OG 3.19Å; I40-S43 PolarHBondContact O-N 3.33Å; S43-A46 PolarHBondContact O-N 3.41Å; S43-L47 WeakPolarHBondContact O-CB 3.33Å; S43-L47 VanDerWaalsContact O-CG 3.31Å; S43-L47 WeakPolarHBondContact O-CG 3.31Å; S43-L47 PolarHBondContact O-N 3.34Å |
| 44 | L | 98.2 | Very high | 95.7 | Very high | 2 Ų | 2 | 50.4 Ų | 50.4 | 1% | 0.01 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.8 | -44.8 | 176.8 | -69.3 | 179.7 | 0 | 0 | 0 | 111.4 | I40 E41 L47 S48 I57 T59 V78 I113 | I40-L44 HydrophobicContact CG2-CD1 4.01Å; I40-L44 HydrophobicContact CG2-CG 4.29Å; I40-L44 WeakPolarHBondContact O-CB 3.34Å; I40-L44 VanDerWaalsContact O-CG 3.26Å; I40-L44 WeakPolarHBondContact O-CG 3.27Å; I40-L44 PolarHBondContact O-N 3.15Å; E41-L44 PolarHBondContact O-N 3.36Å; L44-L47 PolarHBondContact O-N 2.99Å; L44-S48 VanDerWaalsContact O-CB 3.26Å; L44-S48 WeakPolarHBondContact O-CB 3.33Å; L44-S48 PolarHBondContact O-N 3.42Å; L44-S48 PolarHBondContact O-OG 3.17Å; L44-I57 HydrophobicContact CD2-CG2 3.71Å; L44-T59 HydrophobicContact CD2-CG2 3.83Å; L44-V78 HydrophobicContact CB-CG1 3.95Å; L44-V78 HydrophobicContact CB-CG2 4.35Å; L44-I113 HydrophobicContact CD1-CG2 4.49Å; L44-I113 HydrophobicContact CD2-CG2 3.92Å |
| 45 | R | 98.3 | Very high | 95.9 | Very high | 90 Ų | 90 | 50.5 Ų | 50.5 | 34% | 0.34 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.3 | -42.5 | 177.8 | -74 | -177.7 | -171 | 107.9 | 8.9 | 112.4 | E41 S42 S48 A49 V78 | E41-R45 WeakPolarHBondContact O-CB 3.38Å; E41-R45 VanDerWaalsContact O-CG 3.32Å; E41-R45 WeakPolarHBondContact O-CG 3.41Å; E41-R45 PolarHBondContact O-N 3.5Å; E41-R45 IonicContact OE2-CZ 3.94Å; E41-R45 IonicContact OE2-NH1 3.35Å; E41-R45 PolarHBondContact OE2-NH1 2.77Å; E41-R45 IonicContact OE2-NH2 3.32Å; E41-R45 PolarHBondContact OE2-NH2 3.41Å; S42-R45 PolarHBondContact O-N 2.92Å; R45-S48 PolarHBondContact O-OG 2.79Å; R45-A49 PolarHBondContact O-N 3.17Å; R45-A49 VanDerWaalsContact O-N 3.13Å; R45-V78 HydrophobicContact CG-CG1 4.07Å; R45-V78 HydrophobicContact CG-CG2 4.13Å |
| 46 | A | 97.2 | Very high | 96.2 | Very high | 68 Ų | 68 | 51.6 Ų | 51.6 | 56% | 0.562 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -65 | -46.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | S42 S43 S48 A49 | S42-A46 WeakPolarHBondContact O-CB 3.15Å; S42-A46 PolarHBondContact O-N 2.95Å; S43-A46 PolarHBondContact O-N 3.41Å; A46-S48 VanDerWaalsContact C-N 3.32Å; A46-S48 PolarHBondContact O-N 2.91Å; A46-A49 PolarHBondContact O-N 3.41Å |
| 47 | L | 96.9 | Very high | 96.3 | Very high | 46 Ų | 46 | 48.1 Ų | 48.1 | 24% | 0.241 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -68.9 | -29.8 | 180 | -70.4 | 170.5 | 0 | 0 | 0 | 112.7 | S43 L44 S52 V54 I57 | S43-L47 WeakPolarHBondContact O-CB 3.33Å; S43-L47 VanDerWaalsContact O-CG 3.31Å; S43-L47 WeakPolarHBondContact O-CG 3.31Å; S43-L47 PolarHBondContact O-N 3.34Å; L44-L47 PolarHBondContact O-N 2.99Å; L47-S52 WeakPolarHBondContact O-CB 3.46Å; L47-S52 PolarHBondContact O-OG 2.79Å; L47-V54 VanDerWaalsContact O-CB 3.3Å; L47-V54 WeakPolarHBondContact O-CB 3.31Å; L47-V54 WeakPolarHBondContact O-CG2 3.4Å; L47-I57 HydrophobicContact CB-CD1 3.46Å; L47-I57 VanDerWaalsContact CB-CD1 3.46Å; L47-I57 HydrophobicContact CB-CG1 4.21Å |
| 48 | S | 97.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | 8 | 179.9 | 60.5 | 0 | 0 | 0 | 0 | 114.6 | L44 R45 A46 R108 N109 T111 | L44-S48 VanDerWaalsContact O-CB 3.26Å; L44-S48 WeakPolarHBondContact O-CB 3.33Å; L44-S48 PolarHBondContact O-N 3.42Å; L44-S48 PolarHBondContact O-OG 3.17Å; R45-S48 PolarHBondContact O-OG 2.79Å; A46-S48 VanDerWaalsContact C-N 3.32Å; A46-S48 PolarHBondContact O-N 2.91Å; S48-R108 WeakPolarHBondContact OG-CD 3.49Å; S48-R108 PolarHBondContact OG-NE 2.9Å; S48-N109 PolarHBondContact O-ND2 3.28Å; S48-T111 WeakPolarHBondContact CA-OG1 3.34Å |
| 49 | A | 96.5 | Very high | 96.3 | Very high | 40 Ų | 40 | 44.6 Ų | 44.6 | 33% | 0.331 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -65 | 135.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | R45 A46 A51 S52 | R45-A49 PolarHBondContact O-N 3.17Å; R45-A49 VanDerWaalsContact O-N 3.13Å; A46-A49 PolarHBondContact O-N 3.41Å; A49-A51 PolarHBondContact O-N 3.39Å; A49-S52 VanDerWaalsContact O-CB 3.27Å; A49-S52 WeakPolarHBondContact O-CB 3.26Å; A49-S52 PolarHBondContact O-N 3.27Å; A49-S52 PolarHBondContact O-OG 3.28Å |
| 50 | S | 89.1 | Confident | 96.3 | Very high | 73 Ų | 73 | 40.1 Ų | 40.1 | 51% | 0.51 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -54.3 | -30.2 | -175.9 | -58.3 | 0 | 0 | 0 | 0 | 114 | S52 G53 D110 | S50-S52 PolarHBondContact O-N 2.89Å; S50-G53 PolarHBondContact O-N 2.91Å; S50-D110 PolarHBondContact OG-OD2 3.16Å |
| 51 | A | 90.8 | Very high | 96.2 | Very high | 106 Ų | 106 | 40.3 Ų | 40.3 | 88% | 0.876 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -67.1 | -16.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | A49 | A49-A51 PolarHBondContact O-N 3.39Š|
| 52 | S | 91.4 | Very high | 96.1 | Very high | 53 Ų | 53 | 39.5 Ų | 39.5 | 37% | 0.371 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -74.6 | -26.2 | 179.2 | 78.1 | 0 | 0 | 0 | 0 | 112.7 | L47 A49 S50 V54 | L47-S52 WeakPolarHBondContact O-CB 3.46Å; L47-S52 PolarHBondContact O-OG 2.79Å; A49-S52 VanDerWaalsContact O-CB 3.27Å; A49-S52 WeakPolarHBondContact O-CB 3.26Å; A49-S52 PolarHBondContact O-N 3.27Å; A49-S52 PolarHBondContact O-OG 3.28Å; S50-S52 PolarHBondContact O-N 2.89Å; S52-V54 PolarHBondContact O-N 2.81Å; S52-V54 WeakPolarHBondContact OG-CG2 3.35Å; S52-V54 PolarHBondContact OG-N 2.88Å; S52-V54 VanDerWaalsContact OG-N 3.11Å |
| 53 | G | 92.2 | Very high | 96.1 | Very high | 70 Ų | 70 | 36.6 Ų | 36.6 | 72% | 0.722 | 26% | 0.259 | S | S | * | . | trans | 64.4 | 15.4 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | S50 A55 | S50-G53 PolarHBondContact O-N 2.91Å; G53-A55 PolarHBondContact O-N 2.87Å | ||
| 54 | V | 96 | Very high | 96 | Very high | 17 Ų | 17 | 36.4 Ų | 36.4 | 10% | 0.103 | 26% | 0.26 | C | S | . | . | trans | -79.5 | 114.8 | 179.1 | 179.3 | 0 | 0 | 0 | 0 | 109.9 | V28 L47 S52 V56 I57 T111 | V28-V54 HydrophobicContact CG2-CG2 3.93Å; L47-V54 VanDerWaalsContact O-CB 3.3Å; L47-V54 WeakPolarHBondContact O-CB 3.31Å; L47-V54 WeakPolarHBondContact O-CG2 3.4Å; S52-V54 PolarHBondContact O-N 2.81Å; S52-V54 WeakPolarHBondContact OG-CG2 3.35Å; S52-V54 PolarHBondContact OG-N 2.88Å; S52-V54 VanDerWaalsContact OG-N 3.11Å; V54-V56 WeakPolarHBondContact CG1-O 3.32Å; V54-I57 HydrophobicContact CG1-CD1 4.45Å; V54-I57 HydrophobicContact CG1-CG1 3.73Å; V54-T111 HydrophobicContact CG1-CG2 4.3Å; V54-T111 WeakPolarHBondContact O-CB 3.3Å; V54-T111 WeakPolarHBondContact O-CG2 3.32Å; V54-T111 PolarHBondContact O-OG1 3.35Å | ||
| 55 | A | 96.3 | Very high | 96 | Very high | 48 Ų | 48 | 43 Ų | 43 | 40% | 0.397 | 29% | 0.289 | S | S | . | . | trans | -80.6 | -31.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | G53 F112 T138 | G53-A55 PolarHBondContact O-N 2.87Å; A55-F112 PolarHBondContact O-N 2.96Å; A55-T138 HydrophobicContact CB-CG2 4.09Å | ||
| 56 | V | 97.9 | Very high | 95.9 | Very high | 40 Ų | 40 | 41.5 Ų | 41.5 | 24% | 0.242 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 133.5 | -174.5 | -177.7 | 0 | 0 | 0 | 0 | 110.4 | V54 I58 F112 L134 T138 | V54-V56 WeakPolarHBondContact CG1-O 3.32Å; V56-I58 HydrophobicContact CG1-CD1 4.46Å; V56-I58 HydrophobicContact CG1-CG1 4.04Å; V56-F112 CarbonylContact C-O 3.51Å; V56-F112 VanDerWaalsContact CA-O 3.31Å; V56-F112 WeakPolarHBondContact CA-O 3.32Å; V56-F112 HydrophobicContact CG1-CD1 4.31Å; V56-F112 HydrophobicContact CG2-CB 4.5Å; V56-L134 HydrophobicContact CG1-CD2 4.06Å; V56-L134 HydrophobicContact CG2-CD2 4.02Å; V56-T138 HydrophobicContact CG2-CG2 3.95Å |
| 57 | I | 98.3 | Very high | 95.8 | Very high | 14 Ų | 14 | 44.4 Ų | 44.4 | 7% | 0.072 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 128.2 | 170.1 | -61.6 | 168.9 | 0 | 0 | 0 | 108.6 | L44 L47 V54 T59 T111 F112 I113 V114 | L44-I57 HydrophobicContact CD2-CG2 3.71Å; L47-I57 HydrophobicContact CB-CD1 3.46Å; L47-I57 VanDerWaalsContact CB-CD1 3.46Å; L47-I57 HydrophobicContact CB-CG1 4.21Å; V54-I57 HydrophobicContact CG1-CD1 4.45Å; V54-I57 HydrophobicContact CG1-CG1 3.73Å; I57-T59 HydrophobicContact CG2-CG2 4.45Å; I57-T111 HydrophobicContact CB-CG2 4.44Å; I57-T111 HydrophobicContact CD1-CG2 3.62Å; I57-T111 HydrophobicContact CG1-CG2 3.68Å; I57-F112 PolarHBondContact N-O 2.64Å; I57-I113 HydrophobicContact CB-CG1 4.3Å; I57-I113 HydrophobicContact CB-CG2 4.34Å; I57-I113 HydrophobicContact CD1-CD1 4.36Å; I57-I113 HydrophobicContact CD1-CG1 4.27Å; I57-I113 HydrophobicContact CG2-CG2 4.39Å; I57-I113 WeakPolarHBondContact O-CA 3.4Å; I57-V114 PolarHBondContact O-N 3.26Å |
| 58 | I | 98.4 | Very high | 95.7 | Very high | 41 Ų | 41 | 47.3 Ų | 47.3 | 21% | 0.21 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 120.1 | 173.4 | -54.6 | 175.9 | 0 | 0 | 0 | 108 | L18 V56 V114 F116 W127 L130 | L18-I58 HydrophobicContact CD2-CB 4.11Å; L18-I58 HydrophobicContact CD2-CD1 4.32Å; L18-I58 HydrophobicContact CD2-CG2 3.71Å; V56-I58 HydrophobicContact CG1-CD1 4.46Å; V56-I58 HydrophobicContact CG1-CG1 4.04Å; I58-V114 WeakPolarHBondContact CA-O 3.49Å; I58-V114 HydrophobicContact CB-CG1 4.49Å; I58-V114 HydrophobicContact CG1-CG1 3.91Å; I58-V114 HydrophobicContact CG2-CG1 4.47Å; I58-F116 HydrophobicContact CD1-CZ 4.48Å; I58-F116 HydrophobicContact CG2-CB 4.3Å; I58-F116 HydrophobicContact CG2-CD1 3.9Å; I58-F116 HydrophobicContact CG2-CD2 3.81Å; I58-F116 HydrophobicContact CG2-CE1 4.16Å; I58-F116 HydrophobicContact CG2-CE2 4.07Å; I58-F116 HydrophobicContact CG2-CG 3.72Å; I58-F116 HydrophobicContact CG2-CZ 4.24Å; I58-W127 HydrophobicContact CD1-CE3 3.97Å; I58-W127 HydrophobicContact CD1-CZ3 3.63Å; I58-L130 HydrophobicContact CD1-CD2 3.96Å; I58-L130 HydrophobicContact CG1-CD2 4.42Å |
| 59 | T | 98.2 | Very high | 95.7 | Very high | 5 Ų | 5 | 48.9 Ų | 48.9 | 3% | 0.031 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 147 | 171 | 71.2 | 0 | 0 | 0 | 0 | 109.6 | M1 L44 I57 T71 V114 N115 F116 | M1-T59 HydrophobicContact CE-CG2 3.74Å; M1-T59 HydrophobicContact SD-CG2 4.45Å; L44-T59 HydrophobicContact CD2-CG2 3.83Å; I57-T59 HydrophobicContact CG2-CG2 4.45Å; T59-T71 HydrophobicContact CG2-CG2 4.4Å; T59-T71 VanDerWaalsContact OG1-CG2 3.3Å; T59-T71 WeakPolarHBondContact OG1-CG2 3.38Å; T59-V114 PolarHBondContact N-O 3.38Å; T59-N115 WeakPolarHBondContact OG1-CA 3.48Å; T59-N115 PolarHBondContact OG1-ND2 3.23Å; T59-F116 WeakPolarHBondContact O-CB 3.37Å; T59-F116 PolarHBondContact O-N 3.28Å |
| 60 | V | 96.8 | Very high | 95.8 | Very high | 12 Ų | 12 | 48.5 Ų | 48.5 | 7% | 0.073 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 121.1 | 179.5 | 180 | 0 | 0 | 0 | 0 | 109.7 | M1 L18 F116 V123 | M1-V60 PolarHBondContact N-O 2.86Å; L18-V60 HydrophobicContact CD2-CG2 3.96Å; V60-F116 HydrophobicContact CG2-CB 4.36Å; V60-V123 HydrophobicContact CG1-CG2 3.61Å; V60-V123 HydrophobicContact CG2-CG2 4.34Å |
| 61 | G | 95.9 | Very high | 96.2 | Very high | 5 Ų | 5 | 45 Ų | 45 | 5% | 0.052 | 29% | 0.291 | C | S | . | . | S | Bend | trans | 92.2 | 173.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | T63 T71 F116 | G61-T63 VanDerWaalsContact C-N 3.35Å; G61-T71 WeakPolarHBondContact O-CB 3.12Å; G61-T71 PolarHBondContact O-OG1 2.92Å; G61-F116 PolarHBondContact N-O 3.06Å |
| 62 | G | 96.7 | Very high | 96.6 | Very high | 6 Ų | 6 | 40 Ų | 40 | 6% | 0.062 | 25% | 0.25 | C | C | . | . | trans | 72.6 | 22.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | D69 V70 T71 P72 | G62-D69 VanDerWaalsContact C-OD1 3.31Å; G62-D69 WeakPolarHBondContact CA-OD1 3.41Å; G62-D69 CarbonylContact O-C 3.26Å; G62-D69 VanDerWaalsContact O-C 3.26Å; G62-D69 WeakPolarHBondContact O-CA 3.22Å; G62-D69 WeakPolarHBondContact O-CB 3.42Å; G62-V70 PolarHBondContact O-N 3.08Å; G62-T71 WeakPolarHBondContact CA-OG1 3.42Å; G62-T71 WeakPolarHBondContact O-CB 3.3Å; G62-T71 PolarHBondContact O-N 3.11Å; G62-T71 PolarHBondContact O-OG1 3.01Å; G62-P72 WeakPolarHBondContact O-CD 3.38Å | ||
| 63 | T | 97.8 | Very high | 96.9 | Very high | 6 Ų | 6 | 40.2 Ų | 40.2 | 4% | 0.037 | 25% | 0.245 | C | C | . | . | trans | -113.9 | 1.6 | -171.8 | 64.5 | 0 | 0 | 0 | 0 | 115.1 | G61 P72 R102 L103 N115 | G61-T63 VanDerWaalsContact C-N 3.35Å; T63-P72 HydrophobicContact CG2-CG 4.26Å; T63-R102 PolarHBondContact O-N 3.41Å; T63-L103 HydrophobicContact CG2-CD2 3.93Å; T63-N115 HydrophobicContact CG2-CB 3.8Å | ||
| 64 | G | 96.7 | Very high | 97.3 | Very high | 22 Ų | 22 | 36.9 Ų | 36.9 | 23% | 0.227 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -83.5 | -160.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | D69 R102 | G64-D69 WeakPolarHBondContact CA-OD2 3.4Å; G64-D69 VanDerWaalsContact N-CG 3.28Å; G64-D69 PolarHBondContact N-OD2 3.05Å; G64-D69 VanDerWaalsContact N-OD2 3.16Å; G64-D69 WeakPolarHBondContact O-CB 3.36Å; G64-R102 PolarHBondContact O-NE 3.48Å; G64-R102 PolarHBondContact O-NH2 2.89Å |
| 65 | F | 96.8 | Very high | 97.4 | Very high | 140 Ų | 140 | 36 Ų | 36 | 61% | 0.614 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -95.8 | 5.4 | 178.4 | -60.1 | -37.9 | 0 | 0 | 0 | 114.3 | D69 Y100 R102 | F65-D69 PolarHBondContact N-OD2 3.19Å; F65-Y100 HydrophobicContact CD2-CD1 4.37Å; F65-Y100 AromaticContact CE2-CD1 3.85Å; F65-Y100 HydrophobicContact CE2-CD1 3.85Å; F65-R102 HydrophobicContact CD1-CG 3.95Å; F65-R102 HydrophobicContact CE1-CG 3.61Å |
| 66 | S | 96 | Very high | 97.5 | Very high | 59 Ų | 59 | 39.3 Ų | 39.3 | 41% | 0.413 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -63 | 146 | 176.8 | -178.6 | 0 | 0 | 0 | 0 | 110.3 | R68 D69 | S66-R68 PolarHBondContact O-N 3.12Å; S66-R68 VanDerWaalsContact O-N 3.09Å; S66-R68 PolarHBondContact OG-N 2.97Å; S66-D69 WeakPolarHBondContact CA-OD2 3.31Å; S66-D69 WeakPolarHBondContact CB-OD2 3.5Å; S66-D69 PolarHBondContact N-OD2 3.24Å; S66-D69 WeakPolarHBondContact O-CB 3.29Å; S66-D69 PolarHBondContact O-N 3.21Å |
| 67 | P | 95.3 | Very high | 97.5 | Very high | 130 Ų | 130 | 41.7 Ų | 41.7 | 84% | 0.844 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -23.1 | 171.2 | -26.3 | 35.4 | 0 | 0 | 0 | 114.3 | ||
| 68 | R | 95.5 | Very high | 97.6 | Very high | 107 Ų | 107 | 41.1 Ų | 41.1 | 40% | 0.404 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -16.1 | 174.6 | -63.2 | -70 | -70.7 | 164 | 2.7 | 113.1 | D3 E36 S66 V70 | D3-R68 IonicContact OD1-NH2 2.78Å; D3-R68 PolarHBondContact OD1-NH2 2.99Å; D3-R68 IonicContact OD2-CZ 3.07Å; D3-R68 IonicContact OD2-NE 3.28Å; D3-R68 PolarHBondContact OD2-NE 3.27Å; D3-R68 IonicContact OD2-NH2 3.79Å; D3-R68 PolarHBondContact OD2-NH2 3.28Å; E36-R68 IonicContact OE1-CZ 2.8Å; E36-R68 IonicContact OE1-NH1 2.7Å; E36-R68 PolarHBondContact OE1-NH1 3.23Å; E36-R68 IonicContact OE1-NH2 3.74Å; E36-R68 PolarHBondContact OE1-NH2 3.18Å; S66-R68 PolarHBondContact O-N 3.12Å; S66-R68 VanDerWaalsContact O-N 3.09Å; S66-R68 PolarHBondContact OG-N 2.97Å; R68-V70 PolarHBondContact O-N 3.43Å |
| 69 | D | 97 | Very high | 97.6 | Very high | 33 Ų | 33 | 40 Ų | 40 | 18% | 0.176 | 21% | 0.21 | C | C | . | . | trans | -75.6 | 96.7 | -179.8 | -70.3 | -44 | 0 | 0 | 0 | 109.7 | G62 G64 F65 S66 R102 | G62-D69 VanDerWaalsContact C-OD1 3.31Å; G62-D69 WeakPolarHBondContact CA-OD1 3.41Å; G62-D69 CarbonylContact O-C 3.26Å; G62-D69 VanDerWaalsContact O-C 3.26Å; G62-D69 WeakPolarHBondContact O-CA 3.22Å; G62-D69 WeakPolarHBondContact O-CB 3.42Å; G64-D69 WeakPolarHBondContact CA-OD2 3.4Å; G64-D69 VanDerWaalsContact N-CG 3.28Å; G64-D69 PolarHBondContact N-OD2 3.05Å; G64-D69 VanDerWaalsContact N-OD2 3.16Å; G64-D69 WeakPolarHBondContact O-CB 3.36Å; F65-D69 PolarHBondContact N-OD2 3.19Å; S66-D69 WeakPolarHBondContact CA-OD2 3.31Å; S66-D69 WeakPolarHBondContact CB-OD2 3.5Å; S66-D69 PolarHBondContact N-OD2 3.24Å; S66-D69 WeakPolarHBondContact O-CB 3.29Å; S66-D69 PolarHBondContact O-N 3.21Å; D69-R102 VanDerWaalsContact CB-NH2 3.34Å; D69-R102 PolarHBondContact O-NH2 3.35Å | ||
| 70 | V | 98.4 | Very high | 97.6 | Very high | 32 Ų | 32 | 44.6 Ų | 44.6 | 19% | 0.194 | 23% | 0.231 | C | C | . | . | trans | -120.4 | 1.6 | -175.6 | -61.2 | 0 | 0 | 0 | 0 | 114.3 | D35 K37 I40 G62 R68 E73 A74 | D35-V70 WeakPolarHBondContact O-CG2 3.39Å; K37-V70 HydrophobicContact CB-CB 4.26Å; K37-V70 HydrophobicContact CB-CG2 4.04Å; I40-V70 HydrophobicContact CD1-CG2 3.89Å; G62-V70 PolarHBondContact O-N 3.08Å; R68-V70 PolarHBondContact O-N 3.43Å; V70-E73 PolarHBondContact O-N 3.43Å; V70-A74 PolarHBondContact O-N 3.48Å | ||
| 71 | T | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.4 | -42.6 | -176.7 | -54.1 | 0 | 0 | 0 | 0 | 113.1 | M1 T59 G61 G62 E73 A74 T75 N115 | M1-T71 HydrophobicContact SD-CG2 4.2Å; T59-T71 HydrophobicContact CG2-CG2 4.4Å; T59-T71 VanDerWaalsContact OG1-CG2 3.3Å; T59-T71 WeakPolarHBondContact OG1-CG2 3.38Å; G61-T71 WeakPolarHBondContact O-CB 3.12Å; G61-T71 PolarHBondContact O-OG1 2.92Å; G62-T71 WeakPolarHBondContact CA-OG1 3.42Å; G62-T71 WeakPolarHBondContact O-CB 3.3Å; G62-T71 PolarHBondContact O-N 3.11Å; G62-T71 PolarHBondContact O-OG1 3.01Å; T71-E73 PolarHBondContact O-N 3.34Å; T71-A74 PolarHBondContact O-N 2.77Å; T71-T75 WeakPolarHBondContact O-CB 3.41Å; T71-T75 PolarHBondContact O-N 3.36Å; T71-T75 PolarHBondContact O-OG1 3.05Å; T71-N115 HydrophobicContact CG2-CB 4.49Å |
| 72 | P | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.6 | -43.8 | 174.9 | -29.6 | 39.1 | 0 | 0 | 0 | 113.6 | G62 T63 T75 R76 R102 V104 | G62-P72 WeakPolarHBondContact O-CD 3.38Å; T63-P72 HydrophobicContact CG2-CG 4.26Å; P72-T75 PolarHBondContact O-N 2.82Å; P72-R76 VanDerWaalsContact O-CB 3.29Å; P72-R76 WeakPolarHBondContact O-CB 3.46Å; P72-R76 PolarHBondContact O-N 3Å; P72-R102 HydrophobicContact CB-CB 4.36Å; P72-R102 WeakPolarHBondContact CB-O 3.33Å; P72-R102 HydrophobicContact CG-CB 3.92Å; P72-R102 WeakPolarHBondContact CG-O 3.37Å; P72-V104 HydrophobicContact CB-CG2 3.96Å |
| 73 | E | 98.6 | Very high | 97.8 | Very high | 57 Ų | 57 | 56.7 Ų | 56.7 | 27% | 0.266 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -65.4 | -44.4 | 179.5 | -72.9 | 61.7 | -137.8 | 0 | 0 | 111 | K37 V70 T71 N77 R102 | K37-E73 HydrophobicContact CD-CB 4.34Å; V70-E73 PolarHBondContact O-N 3.43Å; T71-E73 PolarHBondContact O-N 3.34Å; E73-N77 WeakPolarHBondContact O-CB 3.07Å; E73-N77 PolarHBondContact O-N 2.78Å; E73-N77 VanDerWaalsContact O-N 3.17Å; E73-R102 IonicContact OE1-CZ 2.81Å; E73-R102 IonicContact OE1-NH1 3.39Å; E73-R102 PolarHBondContact OE1-NH1 3.45Å; E73-R102 IonicContact OE2-CZ 2.89Å; E73-R102 IonicContact OE2-NH1 3.17Å; E73-R102 PolarHBondContact OE2-NH1 3.24Å; E73-R102 IonicContact OE2-NH2 2.68Å |
| 74 | A | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.5 | -46.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | K37 I40 E41 V70 T71 N77 V78 | K37-A74 HydrophobicContact CG-CB 3.98Å; I40-A74 HydrophobicContact CB-CB 3.74Å; I40-A74 HydrophobicContact CG2-CB 3.47Å; I40-A74 VanDerWaalsContact CG2-CB 3.47Å; E41-A74 HydrophobicContact CG-CB 3.78Å; V70-A74 PolarHBondContact O-N 3.48Å; T71-A74 PolarHBondContact O-N 2.77Å; A74-N77 WeakPolarHBondContact O-CB 3.14Å; A74-N77 PolarHBondContact O-N 2.7Å; A74-V78 WeakPolarHBondContact O-CG2 3.44Å; A74-V78 PolarHBondContact O-N 2.97Å |
| 75 | T | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.5 | -45.3 | -178.9 | -55.6 | 0 | 0 | 0 | 0 | 111.2 | T71 P72 N77 V78 I79 V104 I113 N115 | T71-T75 WeakPolarHBondContact O-CB 3.41Å; T71-T75 PolarHBondContact O-N 3.36Å; T71-T75 PolarHBondContact O-OG1 3.05Å; P72-T75 PolarHBondContact O-N 2.82Å; T75-N77 PolarHBondContact O-N 3.32Å; T75-V78 PolarHBondContact O-N 2.86Å; T75-I79 HydrophobicContact CG2-CG2 4.12Å; T75-I79 PolarHBondContact O-N 3.33Å; T75-V104 HydrophobicContact CG2-CB 4.16Å; T75-V104 HydrophobicContact CG2-CG1 3.8Å; T75-I113 HydrophobicContact CG2-CG2 3.87Å; T75-N115 PolarHBondContact OG1-ND2 2.8Å; T75-N115 PolarHBondContact OG1-OD1 3.02Å |
| 76 | R | 98.7 | Very high | 97.9 | Very high | 117 Ų | 117 | 57.2 Ų | 57.2 | 44% | 0.442 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.1 | -34.5 | 177.9 | -171.4 | 174.6 | -60.7 | 125.6 | 2.5 | 112.5 | P72 V78 | P72-R76 VanDerWaalsContact O-CB 3.29Å; P72-R76 WeakPolarHBondContact O-CB 3.46Å; P72-R76 PolarHBondContact O-N 3Å; R76-V78 PolarHBondContact O-N 3.23Å |
| 77 | N | 98.6 | Very high | 98.1 | Very high | 89 Ų | 89 | 55.2 Ų | 55.2 | 48% | 0.476 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -12.1 | 177.2 | -80.7 | 2 | 0 | 0 | 0 | 114.1 | K37 E41 E73 A74 T75 | K37-N77 WeakPolarHBondContact CE-ND2 3.32Å; K37-N77 PolarHBondContact NZ-ND2 3.24Å; E41-N77 HydrophobicContact CG-CB 4.44Å; E41-N77 VanDerWaalsContact OE1-CB 3.31Å; E41-N77 WeakPolarHBondContact OE1-CB 3.33Å; E41-N77 PolarHBondContact OE1-ND2 3.05Å; E73-N77 WeakPolarHBondContact O-CB 3.07Å; E73-N77 PolarHBondContact O-N 2.78Å; E73-N77 VanDerWaalsContact O-N 3.17Å; A74-N77 WeakPolarHBondContact O-CB 3.14Å; A74-N77 PolarHBondContact O-N 2.7Å; T75-N77 PolarHBondContact O-N 3.32Å |
| 78 | V | 98.7 | Very high | 98.2 | Very high | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.012 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.2 | -39.9 | -174 | 172 | 0 | 0 | 0 | 0 | 111.7 | E41 L44 R45 A74 T75 R76 R108 I113 | E41-V78 HydrophobicContact CB-CG2 3.95Å; E41-V78 HydrophobicContact CG-CG2 3.96Å; L44-V78 HydrophobicContact CB-CG1 3.95Å; L44-V78 HydrophobicContact CB-CG2 4.35Å; R45-V78 HydrophobicContact CG-CG1 4.07Å; R45-V78 HydrophobicContact CG-CG2 4.13Å; A74-V78 WeakPolarHBondContact O-CG2 3.44Å; A74-V78 PolarHBondContact O-N 2.97Å; T75-V78 PolarHBondContact O-N 2.86Å; R76-V78 PolarHBondContact O-N 3.23Å; V78-R108 WeakPolarHBondContact O-CD 3.46Å; V78-R108 PolarHBondContact O-NH1 3.15Å; V78-I113 HydrophobicContact CG1-CD1 4.3Å |
| 79 | I | 98.7 | Very high | 98.4 | Very high | 17 Ų | 17 | 51.4 Ų | 51.4 | 9% | 0.087 | 27% | 0.273 | C | S | . | . | trans | -67.8 | 150 | -179.2 | 62.5 | 173.3 | 0 | 0 | 0 | 112.9 | T75 V104 I113 | T75-I79 HydrophobicContact CG2-CG2 4.12Å; T75-I79 PolarHBondContact O-N 3.33Å; I79-V104 HydrophobicContact CD1-CG1 3.62Å; I79-I113 HydrophobicContact CG2-CB 4.27Å; I79-I113 HydrophobicContact CG2-CD1 4.28Å | ||
| 80 | E | 98 | Very high | 98.4 | Very high | 103 Ų | 103 | 49.9 Ų | 49.9 | 48% | 0.481 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -103.3 | -29.8 | 179 | -66.7 | 155.5 | -168.8 | 0 | 0 | 111.9 | V107 R108 N109 | E80-V107 PolarHBondContact N-O 3.21Å; E80-R108 IonicContact OE1-NH1 3.85Å; E80-N109 PolarHBondContact OE2-N 3.31Å |
| 81 | K | 97.5 | Very high | 98.4 | Very high | 147 Ų | 147 | 50.6 Ų | 50.6 | 64% | 0.639 | 27% | 0.267 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 137.3 | 177.5 | -59.9 | 176.1 | -171.3 | 165.3 | 0 | 109.6 | G106 V107 | K81-G106 CarbonylContact O-C 3.38Å; K81-G106 WeakPolarHBondContact O-CA 3.48Å; K81-V107 HydrophobicContact CB-CB 4.41Å; K81-V107 PolarHBondContact N-O 2.96Å; K81-V107 PolarHBondContact O-N 3.2Å |
| 82 | H | 98.4 | Very high | 98.4 | Very high | 109 Ų | 109 | 53.3 Ų | 53.3 | 51% | 0.505 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 140.3 | 179.2 | -70.6 | -97.7 | 0 | 0 | 0 | 112.1 | ||
| 83 | A | 98.2 | Very high | 98.3 | Very high | 21 Ų | 21 | 55.7 Ų | 55.7 | 17% | 0.174 | 31% | 0.314 | C | S | . | . | trans | -109.6 | 58.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | G85 V86 V87 A105 F112 | A83-G85 PolarHBondContact O-N 3.38Å; A83-V86 HydrophobicContact CB-CB 4.46Å; A83-V86 HydrophobicContact CB-CG2 4.26Å; A83-V86 PolarHBondContact O-N 3.4Å; A83-V87 PolarHBondContact O-N 2.98Å; A83-A105 HydrophobicContact CB-CB 4.02Å; A83-A105 PolarHBondContact N-O 3.32Å; A83-F112 HydrophobicContact CB-CE2 3.74Å; A83-F112 HydrophobicContact CB-CZ 4.44Å | ||
| 84 | N | 98.2 | Very high | 98.1 | Very high | 101 Ų | 101 | 53.4 Ų | 53.4 | 54% | 0.54 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -57.3 | -34.7 | -174.3 | -64.8 | -21.4 | 0 | 0 | 0 | 113.2 | V86 V87 I88 | N84-V86 VanDerWaalsContact C-N 3.31Å; N84-V86 PolarHBondContact O-N 3.06Å; N84-V87 WeakPolarHBondContact O-CB 3.31Å; N84-V87 PolarHBondContact O-N 2.81Å; N84-I88 WeakPolarHBondContact O-CG1 3.49Å; N84-I88 PolarHBondContact O-N 3.43Å |
| 85 | G | 98.1 | Very high | 98 | Very high | 56 Ų | 56 | 58.6 Ų | 58.6 | 58% | 0.577 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -60.7 | -37.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | A83 I88 A89 | A83-G85 PolarHBondContact O-N 3.38Å; G85-I88 PolarHBondContact O-N 3.05Å; G85-A89 PolarHBondContact O-N 3.45Å |
| 86 | V | 98.4 | Very high | 97.9 | Very high | 21 Ų | 21 | 63.5 Ų | 63.5 | 13% | 0.127 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -67.3 | -43.9 | 175.5 | 179.8 | 0 | 0 | 0 | 0 | 110.2 | A83 N84 I88 A89 L90 A105 F112 L130 I137 | A83-V86 HydrophobicContact CB-CB 4.46Å; A83-V86 HydrophobicContact CB-CG2 4.26Å; A83-V86 PolarHBondContact O-N 3.4Å; N84-V86 VanDerWaalsContact C-N 3.31Å; N84-V86 PolarHBondContact O-N 3.06Å; V86-I88 VanDerWaalsContact C-N 3.31Å; V86-I88 PolarHBondContact O-N 2.89Å; V86-A89 PolarHBondContact O-N 2.68Å; V86-L90 HydrophobicContact CG1-CD1 4.05Å; V86-L90 HydrophobicContact CG1-CG 4.24Å; V86-L90 VanDerWaalsContact O-CG 3.31Å; V86-L90 WeakPolarHBondContact O-CG 3.5Å; V86-L90 PolarHBondContact O-N 3.17Å; V86-A105 HydrophobicContact CB-CB 4.4Å; V86-F112 HydrophobicContact CB-CZ 4.42Å; V86-F112 HydrophobicContact CG1-CZ 4.15Å; V86-F112 HydrophobicContact CG2-CZ 4.19Å; V86-L130 HydrophobicContact CG1-CD1 3.97Å; V86-I137 HydrophobicContact CG2-CD1 4.32Å |
| 87 | V | 98.6 | Very high | 97.7 | Very high | 18 Ų | 18 | 63.8 Ų | 63.8 | 11% | 0.109 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -57.7 | -44.9 | 176.8 | 173.8 | 0 | 0 | 0 | 0 | 111.3 | A83 N84 L90 I91 L103 A105 | A83-V87 PolarHBondContact O-N 2.98Å; N84-V87 WeakPolarHBondContact O-CB 3.31Å; N84-V87 PolarHBondContact O-N 2.81Å; V87-L90 PolarHBondContact O-N 3.05Å; V87-I91 HydrophobicContact CG1-CD1 3.71Å; V87-I91 HydrophobicContact CG1-CG1 4.41Å; V87-I91 WeakPolarHBondContact O-CG1 3.37Å; V87-I91 PolarHBondContact O-N 3.39Å; V87-L103 HydrophobicContact CG1-CB 4.19Å; V87-L103 WeakPolarHBondContact CG1-O 3.35Å; V87-A105 HydrophobicContact CG2-CB 3.7Å |
| 88 | I | 98.4 | Very high | 97.5 | Very high | 117 Ų | 117 | 59.7 Ų | 59.7 | 60% | 0.6 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -61.3 | -46.1 | 177.6 | -68.2 | 165.3 | 0 | 0 | 0 | 110.8 | N84 G85 V86 L90 I91 A92 | N84-I88 WeakPolarHBondContact O-CG1 3.49Å; N84-I88 PolarHBondContact O-N 3.43Å; G85-I88 PolarHBondContact O-N 3.05Å; V86-I88 VanDerWaalsContact C-N 3.31Å; V86-I88 PolarHBondContact O-N 2.89Å; I88-L90 PolarHBondContact O-N 3.09Å; I88-I91 PolarHBondContact O-N 2.89Å; I88-A92 VanDerWaalsContact O-CB 3.23Å; I88-A92 WeakPolarHBondContact O-CB 3.38Å; I88-A92 PolarHBondContact O-N 2.68Å |
| 89 | A | 98.4 | Very high | 97.4 | Very high | 39 Ų | 39 | 62.6 Ų | 62.6 | 32% | 0.322 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.6 | -45.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | G85 V86 A92 G93 I129 | G85-A89 PolarHBondContact O-N 3.45Å; V86-A89 PolarHBondContact O-N 2.68Å; A89-A92 PolarHBondContact O-N 3.42Å; A89-G93 PolarHBondContact O-N 2.76Å; A89-I129 HydrophobicContact CB-CG2 4.25Å |
| 90 | L | 98.5 | Very high | 97.3 | Very high | 1 Ų | 1 | 68.3 Ų | 68.3 | 1% | 0.005 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -62.7 | -46.1 | 177.6 | -65.6 | 178 | 0 | 0 | 0 | 111.9 | V86 V87 I88 S94 L103 V114 F116 C126 I129 L130 | V86-L90 HydrophobicContact CG1-CD1 4.05Å; V86-L90 HydrophobicContact CG1-CG 4.24Å; V86-L90 VanDerWaalsContact O-CG 3.31Å; V86-L90 WeakPolarHBondContact O-CG 3.5Å; V86-L90 PolarHBondContact O-N 3.17Å; V87-L90 PolarHBondContact O-N 3.05Å; I88-L90 PolarHBondContact O-N 3.09Å; L90-S94 PolarHBondContact O-N 2.92Å; L90-L103 HydrophobicContact CB-CD1 4.03Å; L90-L103 HydrophobicContact CD1-CD1 4.34Å; L90-V114 HydrophobicContact CD1-CG2 3.71Å; L90-F116 HydrophobicContact CD1-CE1 4.19Å; L90-C126 HydrophobicContact CD2-CB 3.97Å; L90-C126 WeakPolarHBondContact CD2-O 3.37Å; L90-I129 HydrophobicContact CD2-CB 3.93Å; L90-I129 HydrophobicContact CD2-CD1 4.47Å; L90-I129 HydrophobicContact CD2-CG2 3.86Å; L90-L130 HydrophobicContact CD2-CB 4.43Å |
| 91 | I | 97.9 | Very high | 97.2 | Very high | 47 Ų | 47 | 64.4 Ų | 64.4 | 24% | 0.241 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -63.7 | -46.1 | 178.6 | -70.2 | 172.2 | 0 | 0 | 0 | 110.5 | V87 I88 G93 S94 L95 L103 | V87-I91 HydrophobicContact CG1-CD1 3.71Å; V87-I91 HydrophobicContact CG1-CG1 4.41Å; V87-I91 WeakPolarHBondContact O-CG1 3.37Å; V87-I91 PolarHBondContact O-N 3.39Å; I88-I91 PolarHBondContact O-N 2.89Å; I91-G93 PolarHBondContact O-N 3.28Å; I91-S94 PolarHBondContact O-N 2.99Å; I91-L95 PolarHBondContact O-N 2.73Å; I91-L103 HydrophobicContact CG1-CD1 4.33Å |
| 92 | A | 97.8 | Very high | 97.2 | Very high | 58 Ų | 58 | 60.2 Ų | 60.2 | 48% | 0.479 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62 | -42.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | I88 A89 S94 L95 | I88-A92 VanDerWaalsContact O-CB 3.23Å; I88-A92 WeakPolarHBondContact O-CB 3.38Å; I88-A92 PolarHBondContact O-N 2.68Å; A89-A92 PolarHBondContact O-N 3.42Å; A92-S94 PolarHBondContact O-N 2.77Å; A92-L95 PolarHBondContact O-N 3.4Å |
| 93 | G | 96.7 | Very high | 97.2 | Very high | 50 Ų | 50 | 55.5 Ų | 55.5 | 52% | 0.515 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -70.8 | -14 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | A89 I91 | A89-G93 PolarHBondContact O-N 2.76Å; I91-G93 PolarHBondContact O-N 3.28Å |
| 94 | S | 94.8 | Very high | 97.2 | Very high | 9 Ų | 9 | 54.9 Ų | 54.9 | 6% | 0.063 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.4 | 11.8 | 179.9 | -76.8 | 0 | 0 | 0 | 0 | 114 | L90 I91 A92 M97 G98 E125 | L90-S94 PolarHBondContact O-N 2.92Å; I91-S94 PolarHBondContact O-N 2.99Å; A92-S94 PolarHBondContact O-N 2.77Å; S94-M97 PolarHBondContact O-N 2.93Å; S94-M97 VanDerWaalsContact O-N 3.16Å; S94-G98 PolarHBondContact O-N 2.82Å; S94-E125 WeakPolarHBondContact CB-OE2 3.27Å; S94-E125 WeakPolarHBondContact OG-CB 3.1Å; S94-E125 PolarHBondContact OG-OE2 2.74Å |
| 95 | L | 96.5 | Very high | 97.3 | Very high | 109 Ų | 109 | 50.1 Ų | 50.1 | 57% | 0.571 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | 146 | 177.7 | -72.6 | 175.7 | 0 | 0 | 0 | 112.4 | I91 A92 A99 | I91-L95 PolarHBondContact O-N 2.73Å; A92-L95 PolarHBondContact O-N 3.4Å; L95-A99 HydrophobicContact CD2-CB 4.06Å |
| 96 | P | 96.2 | Very high | 97.3 | Very high | 103 Ų | 103 | 47.4 Ų | 47.4 | 67% | 0.669 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -81.7 | -17.3 | 3.3 | 32.7 | -35.7 | 0 | 0 | 0 | 114.1 | G98 A99 | P96-G98 VanDerWaalsContact C-N 3.28Å; P96-G98 PolarHBondContact O-N 3.14Å; P96-A99 WeakPolarHBondContact O-CB 3.37Å; P96-A99 PolarHBondContact O-N 2.93Å |
| 97 | M | 94.5 | Very high | 97.3 | Very high | 123 Ų | 123 | 47.7 Ų | 47.7 | 61% | 0.606 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -65.4 | -30.3 | -173.9 | -68.9 | -55 | -57 | 0 | 0 | 113.3 | S94 A99 Y100 | S94-M97 PolarHBondContact O-N 2.93Å; S94-M97 VanDerWaalsContact O-N 3.16Å; M97-A99 PolarHBondContact O-N 3.24Å; M97-A99 VanDerWaalsContact O-N 3.13Å; M97-Y100 HydrophobicContact CE-CD2 3.94Å; M97-Y100 HydrophobicContact CE-CE2 4.2Å; M97-Y100 WeakPolarHBondContact O-CD2 3.39Å; M97-Y100 PolarHBondContact O-N 3.47Å; M97-Y100 VanDerWaalsContact O-N 3.16Å; M97-Y100 HydrophobicContact SD-CD2 4.38Å; M97-Y100 HydrophobicContact SD-CE2 4.21Å |
| 98 | G | 94.5 | Very high | 97.2 | Very high | 2 Ų | 2 | 49.4 Ų | 49.4 | 2% | 0.021 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -55.8 | -26.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | S94 P96 Y100 S101 | S94-G98 PolarHBondContact O-N 2.82Å; P96-G98 VanDerWaalsContact C-N 3.28Å; P96-G98 PolarHBondContact O-N 3.14Å; G98-Y100 PolarHBondContact O-N 3.24Å; G98-S101 VanDerWaalsContact O-CB 3.32Å; G98-S101 WeakPolarHBondContact O-CB 3.32Å; G98-S101 PolarHBondContact O-N 2.97Å; G98-S101 PolarHBondContact O-OG 3.38Å |
| 99 | A | 96.9 | Very high | 97.1 | Very high | 64 Ų | 64 | 46.6 Ų | 46.6 | 53% | 0.529 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -63.2 | -22.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | L95 P96 M97 S101 | L95-A99 HydrophobicContact CD2-CB 4.06Å; P96-A99 WeakPolarHBondContact O-CB 3.37Å; P96-A99 PolarHBondContact O-N 2.93Å; M97-A99 PolarHBondContact O-N 3.24Å; M97-A99 VanDerWaalsContact O-N 3.13Å; A99-S101 VanDerWaalsContact C-N 3.3Å |
| 100 | Y | 96 | Very high | 96.9 | Very high | 137 Ų | 137 | 48.8 Ų | 48.8 | 54% | 0.537 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -83.9 | -4.7 | 175.8 | -59.8 | -69.2 | 0 | 0 | 0 | 113.4 | F65 M97 G98 | F65-Y100 HydrophobicContact CD2-CD1 4.37Å; F65-Y100 AromaticContact CE2-CD1 3.85Å; F65-Y100 HydrophobicContact CE2-CD1 3.85Å; M97-Y100 HydrophobicContact CE-CD2 3.94Å; M97-Y100 HydrophobicContact CE-CE2 4.2Å; M97-Y100 WeakPolarHBondContact O-CD2 3.39Å; M97-Y100 PolarHBondContact O-N 3.47Å; M97-Y100 VanDerWaalsContact O-N 3.16Å; M97-Y100 HydrophobicContact SD-CD2 4.38Å; M97-Y100 HydrophobicContact SD-CE2 4.21Å; G98-Y100 PolarHBondContact O-N 3.24Å |
| 101 | S | 96.5 | Very high | 96.9 | Very high | 21 Ų | 21 | 48.9 Ų | 48.9 | 15% | 0.147 | 28% | 0.278 | C | S | . | . | trans | -92.6 | 128.4 | -173.9 | -56.6 | 0 | 0 | 0 | 0 | 111.3 | G98 A99 L103 | G98-S101 VanDerWaalsContact O-CB 3.32Å; G98-S101 WeakPolarHBondContact O-CB 3.32Å; G98-S101 PolarHBondContact O-N 2.97Å; G98-S101 PolarHBondContact O-OG 3.38Å; A99-S101 VanDerWaalsContact C-N 3.3Å; S101-L103 VanDerWaalsContact C-N 3.31Å; S101-L103 PolarHBondContact O-N 3Å | ||
| 102 | R | 98.1 | Very high | 96.9 | Very high | 58 Ų | 58 | 46.8 Ų | 46.8 | 22% | 0.219 | 27% | 0.268 | C | S | . | . | trans | -95.5 | 39.9 | 175.8 | -63.1 | -176 | -64.2 | 107.1 | 6.5 | 112.3 | T63 G64 F65 D69 P72 E73 | T63-R102 PolarHBondContact O-N 3.41Å; G64-R102 PolarHBondContact O-NE 3.48Å; G64-R102 PolarHBondContact O-NH2 2.89Å; F65-R102 HydrophobicContact CD1-CG 3.95Å; F65-R102 HydrophobicContact CE1-CG 3.61Å; D69-R102 VanDerWaalsContact CB-NH2 3.34Å; D69-R102 PolarHBondContact O-NH2 3.35Å; P72-R102 HydrophobicContact CB-CB 4.36Å; P72-R102 WeakPolarHBondContact CB-O 3.33Å; P72-R102 HydrophobicContact CG-CB 3.92Å; P72-R102 WeakPolarHBondContact CG-O 3.37Å; E73-R102 IonicContact OE1-CZ 2.81Å; E73-R102 IonicContact OE1-NH1 3.39Å; E73-R102 PolarHBondContact OE1-NH1 3.45Å; E73-R102 IonicContact OE2-CZ 2.89Å; E73-R102 IonicContact OE2-NH1 3.17Å; E73-R102 PolarHBondContact OE2-NH1 3.24Å; E73-R102 IonicContact OE2-NH2 2.68Å | ||
| 103 | L | 98.5 | Very high | 96.9 | Very high | 11 Ų | 11 | 44 Ų | 44 | 6% | 0.058 | 25% | 0.245 | C | C | . | . | trans | -57.2 | 144.5 | -168.8 | -50 | -177.1 | 0 | 0 | 0 | 112.2 | T63 V87 L90 I91 S101 N115 P117 | T63-L103 HydrophobicContact CG2-CD2 3.93Å; V87-L103 HydrophobicContact CG1-CB 4.19Å; V87-L103 WeakPolarHBondContact CG1-O 3.35Å; L90-L103 HydrophobicContact CB-CD1 4.03Å; L90-L103 HydrophobicContact CD1-CD1 4.34Å; I91-L103 HydrophobicContact CG1-CD1 4.33Å; S101-L103 VanDerWaalsContact C-N 3.31Å; S101-L103 PolarHBondContact O-N 3Å; L103-N115 HydrophobicContact CD2-CB 4.47Å; L103-N115 WeakPolarHBondContact CD2-O 3.45Å; L103-P117 HydrophobicContact CD2-CG 4.12Å | ||
| 104 | V | 98.8 | Very high | 97 | Very high | 7 Ų | 7 | 41.6 Ų | 41.6 | 4% | 0.042 | 22% | 0.22 | C | C | . | . | trans | -122.2 | 140.8 | 168.2 | 174.4 | 0 | 0 | 0 | 0 | 108.4 | P72 T75 I79 N115 | P72-V104 HydrophobicContact CB-CG2 3.96Å; T75-V104 HydrophobicContact CG2-CB 4.16Å; T75-V104 HydrophobicContact CG2-CG1 3.8Å; I79-V104 HydrophobicContact CD1-CG1 3.62Å; V104-N115 WeakPolarHBondContact CB-OD1 3.36Å; V104-N115 PolarHBondContact N-OD1 3.34Å; V104-N115 PolarHBondContact O-N 2.97Å; V104-N115 PolarHBondContact O-OD1 3.07Å | ||
| 105 | A | 98.8 | Very high | 97.2 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.008 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 147.4 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | A83 V86 V87 F112 I113 V114 | A83-A105 HydrophobicContact CB-CB 4.02Å; A83-A105 PolarHBondContact N-O 3.32Å; V86-A105 HydrophobicContact CB-CB 4.4Å; V87-A105 HydrophobicContact CG2-CB 3.7Å; A105-F112 HydrophobicContact CB-CE2 4.43Å; A105-F112 HydrophobicContact CB-CZ 4.08Å; A105-I113 CarbonylContact C-O 3.51Å; A105-I113 VanDerWaalsContact CA-O 3.22Å; A105-I113 WeakPolarHBondContact CA-O 3.17Å; A105-V114 HydrophobicContact CB-CB 4.07Å; A105-V114 HydrophobicContact CB-CG2 3.89Å |
| 106 | G | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -177.3 | -173.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | K81 F112 I113 | K81-G106 CarbonylContact O-C 3.38Å; K81-G106 WeakPolarHBondContact O-CA 3.48Å; G106-F112 WeakPolarHBondContact O-CD2 3.23Å; G106-I113 PolarHBondContact N-O 3.08Å; G106-I113 PolarHBondContact O-N 2.86Å |
| 107 | V | 98 | Very high | 97.3 | Very high | 26 Ų | 26 | 31.7 Ų | 31.7 | 16% | 0.158 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 140.3 | 179.7 | 179.8 | 0 | 0 | 0 | 0 | 108.9 | E80 K81 N109 T111 F112 M141 | E80-V107 PolarHBondContact N-O 3.21Å; K81-V107 HydrophobicContact CB-CB 4.41Å; K81-V107 PolarHBondContact N-O 2.96Å; K81-V107 PolarHBondContact O-N 3.2Å; V107-N109 VanDerWaalsContact CG1-O 3.29Å; V107-N109 WeakPolarHBondContact CG1-O 3.26Å; V107-T111 WeakPolarHBondContact CA-O 3.38Å; V107-F112 HydrophobicContact CG2-CD2 4.2Å; V107-M141 HydrophobicContact CG1-CE 4.2Å; V107-M141 HydrophobicContact CG1-CG 4.47Å; V107-M141 HydrophobicContact CG1-SD 4.37Å; V107-M141 HydrophobicContact CG2-CG 4.29Å; V107-M141 HydrophobicContact CG2-SD 3.99Å |
| 108 | R | 97.5 | Very high | 97.3 | Very high | 55 Ų | 55 | 27.4 Ų | 27.4 | 21% | 0.208 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 127.3 | 165.9 | 169.6 | 170.5 | 179.8 | 82.1 | 11.3 | 107.9 | S48 V78 E80 D110 T111 I113 | S48-R108 WeakPolarHBondContact OG-CD 3.49Å; S48-R108 PolarHBondContact OG-NE 2.9Å; V78-R108 WeakPolarHBondContact O-CD 3.46Å; V78-R108 PolarHBondContact O-NH1 3.15Å; E80-R108 IonicContact OE1-NH1 3.85Å; R108-D110 PolarHBondContact O-N 3.29Å; R108-T111 PolarHBondContact N-O 2.91Å; R108-T111 WeakPolarHBondContact O-CB 3.13Å; R108-T111 PolarHBondContact O-N 2.92Å; R108-I113 HydrophobicContact CB-CD1 4.06Å |
| 109 | N | 95.2 | Very high | 97.3 | Very high | 57 Ų | 57 | 30.3 Ų | 30.3 | 31% | 0.305 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.9 | -122.6 | -170.8 | -55.9 | -47.2 | 0 | 0 | 0 | 110.1 | S48 E80 V107 | S48-N109 PolarHBondContact O-ND2 3.28Å; E80-N109 PolarHBondContact OE2-N 3.31Å; V107-N109 VanDerWaalsContact CG1-O 3.29Å; V107-N109 WeakPolarHBondContact CG1-O 3.26Å |
| 110 | D | 94.7 | Very high | 97.2 | Very high | 85 Ų | 85 | 29.5 Ų | 29.5 | 46% | 0.455 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | 24.1 | 179.9 | -44.2 | -62.1 | 0 | 0 | 0 | 111.8 | S50 R108 M141 | S50-D110 PolarHBondContact OG-OD2 3.16Å; R108-D110 PolarHBondContact O-N 3.29Å; D110-M141 WeakPolarHBondContact O-CE 2.8Å |
| 111 | T | 97.5 | Very high | 97.1 | Very high | 3 Ų | 3 | 29.8 Ų | 29.8 | 2% | 0.018 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 125.7 | -177.9 | -52.2 | 0 | 0 | 0 | 0 | 112 | S48 V54 I57 V107 R108 I113 | S48-T111 WeakPolarHBondContact CA-OG1 3.34Å; V54-T111 HydrophobicContact CG1-CG2 4.3Å; V54-T111 WeakPolarHBondContact O-CB 3.3Å; V54-T111 WeakPolarHBondContact O-CG2 3.32Å; V54-T111 PolarHBondContact O-OG1 3.35Å; I57-T111 HydrophobicContact CB-CG2 4.44Å; I57-T111 HydrophobicContact CD1-CG2 3.62Å; I57-T111 HydrophobicContact CG1-CG2 3.68Å; V107-T111 WeakPolarHBondContact CA-O 3.38Å; R108-T111 PolarHBondContact N-O 2.91Å; R108-T111 WeakPolarHBondContact O-CB 3.13Å; R108-T111 PolarHBondContact O-N 2.92Å; T111-I113 HydrophobicContact CG2-CG1 4.14Å |
| 112 | F | 98.3 | Very high | 97.1 | Very high | 3 Ų | 3 | 29.3 Ų | 29.3 | 1% | 0.013 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 128.5 | 168.7 | -177.2 | -109.1 | 0 | 0 | 0 | 109.8 | A55 V56 I57 A83 V86 A105 G106 V107 V114 L130 L134 I137 M141 | A55-F112 PolarHBondContact O-N 2.96Å; V56-F112 CarbonylContact C-O 3.51Å; V56-F112 VanDerWaalsContact CA-O 3.31Å; V56-F112 WeakPolarHBondContact CA-O 3.32Å; V56-F112 HydrophobicContact CG1-CD1 4.31Å; V56-F112 HydrophobicContact CG2-CB 4.5Å; I57-F112 PolarHBondContact N-O 2.64Å; A83-F112 HydrophobicContact CB-CE2 3.74Å; A83-F112 HydrophobicContact CB-CZ 4.44Å; V86-F112 HydrophobicContact CB-CZ 4.42Å; V86-F112 HydrophobicContact CG1-CZ 4.15Å; V86-F112 HydrophobicContact CG2-CZ 4.19Å; A105-F112 HydrophobicContact CB-CE2 4.43Å; A105-F112 HydrophobicContact CB-CZ 4.08Å; G106-F112 WeakPolarHBondContact O-CD2 3.23Å; V107-F112 HydrophobicContact CG2-CD2 4.2Å; F112-V114 HydrophobicContact CD1-CG1 4.37Å; F112-V114 HydrophobicContact CE1-CB 3.77Å; F112-V114 HydrophobicContact CE1-CG1 3.8Å; F112-V114 HydrophobicContact CZ-CB 4.16Å; F112-L130 HydrophobicContact CE1-CD1 3.94Å; F112-L134 HydrophobicContact CD1-CD2 4.22Å; F112-L134 HydrophobicContact CE1-CD2 4.46Å; F112-I137 HydrophobicContact CB-CG2 3.95Å; F112-I137 HydrophobicContact CD1-CG2 4.24Å; F112-I137 HydrophobicContact CD2-CG2 3.71Å; F112-I137 HydrophobicContact CE1-CD1 4.3Å; F112-I137 HydrophobicContact CE2-CG2 4.27Å; F112-I137 HydrophobicContact CG-CG2 3.7Å; F112-I137 HydrophobicContact CZ-CD1 4.21Å; F112-M141 HydrophobicContact CB-CE 4.32Å; F112-M141 HydrophobicContact CB-SD 3.77Å |
| 113 | I | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 129.8 | -178.5 | -50.5 | -179.1 | 0 | 0 | 0 | 108.6 | L44 I57 T75 V78 I79 A105 G106 R108 T111 | L44-I113 HydrophobicContact CD1-CG2 4.49Å; L44-I113 HydrophobicContact CD2-CG2 3.92Å; I57-I113 HydrophobicContact CB-CG1 4.3Å; I57-I113 HydrophobicContact CB-CG2 4.34Å; I57-I113 HydrophobicContact CD1-CD1 4.36Å; I57-I113 HydrophobicContact CD1-CG1 4.27Å; I57-I113 HydrophobicContact CG2-CG2 4.39Å; I57-I113 WeakPolarHBondContact O-CA 3.4Å; T75-I113 HydrophobicContact CG2-CG2 3.87Å; V78-I113 HydrophobicContact CG1-CD1 4.3Å; I79-I113 HydrophobicContact CG2-CB 4.27Å; I79-I113 HydrophobicContact CG2-CD1 4.28Å; A105-I113 CarbonylContact C-O 3.51Å; A105-I113 VanDerWaalsContact CA-O 3.22Å; A105-I113 WeakPolarHBondContact CA-O 3.17Å; G106-I113 PolarHBondContact N-O 3.08Å; G106-I113 PolarHBondContact O-N 2.86Å; R108-I113 HydrophobicContact CB-CD1 4.06Å; T111-I113 HydrophobicContact CG2-CG1 4.14Å |
| 114 | V | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 140.7 | 178.2 | 59.8 | 0 | 0 | 0 | 0 | 112 | I57 I58 T59 L90 A105 F112 F116 L130 | I57-V114 PolarHBondContact O-N 3.26Å; I58-V114 WeakPolarHBondContact CA-O 3.49Å; I58-V114 HydrophobicContact CB-CG1 4.49Å; I58-V114 HydrophobicContact CG1-CG1 3.91Å; I58-V114 HydrophobicContact CG2-CG1 4.47Å; T59-V114 PolarHBondContact N-O 3.38Å; L90-V114 HydrophobicContact CD1-CG2 3.71Å; A105-V114 HydrophobicContact CB-CB 4.07Å; A105-V114 HydrophobicContact CB-CG2 3.89Å; F112-V114 HydrophobicContact CD1-CG1 4.37Å; F112-V114 HydrophobicContact CE1-CB 3.77Å; F112-V114 HydrophobicContact CE1-CG1 3.8Å; F112-V114 HydrophobicContact CZ-CB 4.16Å; V114-F116 HydrophobicContact CG1-CE1 4.15Å; V114-F116 HydrophobicContact CG2-CD1 4.25Å; V114-F116 HydrophobicContact CG2-CE1 4.11Å; V114-L130 HydrophobicContact CG1-CD2 3.71Å |
| 115 | N | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 132.9 | 174.7 | -47 | 143.2 | 0 | 0 | 0 | 111.2 | T59 T63 T71 T75 L103 V104 | T59-N115 WeakPolarHBondContact OG1-CA 3.48Å; T59-N115 PolarHBondContact OG1-ND2 3.23Å; T63-N115 HydrophobicContact CG2-CB 3.8Å; T71-N115 HydrophobicContact CG2-CB 4.49Å; T75-N115 PolarHBondContact OG1-ND2 2.8Å; T75-N115 PolarHBondContact OG1-OD1 3.02Å; L103-N115 HydrophobicContact CD2-CB 4.47Å; L103-N115 WeakPolarHBondContact CD2-O 3.45Å; V104-N115 WeakPolarHBondContact CB-OD1 3.36Å; V104-N115 PolarHBondContact N-OD1 3.34Å; V104-N115 PolarHBondContact O-N 2.97Å; V104-N115 PolarHBondContact O-OD1 3.07Å |
| 116 | F | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 150.3 | 169.3 | -78.4 | 15.3 | 0 | 0 | 0 | 110.7 | L18 I58 T59 V60 G61 L90 V114 V123 C126 W127 L130 | L18-F116 HydrophobicContact CD1-CE2 4.16Å; I58-F116 HydrophobicContact CD1-CZ 4.48Å; I58-F116 HydrophobicContact CG2-CB 4.3Å; I58-F116 HydrophobicContact CG2-CD1 3.9Å; I58-F116 HydrophobicContact CG2-CD2 3.81Å; I58-F116 HydrophobicContact CG2-CE1 4.16Å; I58-F116 HydrophobicContact CG2-CE2 4.07Å; I58-F116 HydrophobicContact CG2-CG 3.72Å; I58-F116 HydrophobicContact CG2-CZ 4.24Å; T59-F116 WeakPolarHBondContact O-CB 3.37Å; T59-F116 PolarHBondContact O-N 3.28Å; V60-F116 HydrophobicContact CG2-CB 4.36Å; G61-F116 PolarHBondContact N-O 3.06Å; L90-F116 HydrophobicContact CD1-CE1 4.19Å; V114-F116 HydrophobicContact CG1-CE1 4.15Å; V114-F116 HydrophobicContact CG2-CD1 4.25Å; V114-F116 HydrophobicContact CG2-CE1 4.11Å; F116-V123 HydrophobicContact CB-CG2 4.5Å; F116-V123 HydrophobicContact CD2-CG1 4.34Å; F116-C126 HydrophobicContact CD1-CB 3.79Å; F116-C126 HydrophobicContact CD2-CB 3.72Å; F116-C126 HydrophobicContact CE1-CB 3.69Å; F116-C126 HydrophobicContact CE2-CB 3.62Å; F116-C126 HydrophobicContact CG-CB 3.81Å; F116-C126 HydrophobicContact CZ-CB 3.59Å; F116-W127 HydrophobicContact CE2-CB 4.02Å; F116-W127 HydrophobicContact CE2-CE3 4.45Å; F116-W127 HydrophobicContact CZ-CE3 4.49Å; F116-L130 HydrophobicContact CE1-CB 4.46Å; F116-L130 HydrophobicContact CE1-CD2 3.78Å; F116-L130 HydrophobicContact CZ-CB 4.04Å; F116-L130 HydrophobicContact CZ-CD2 3.63Å; F116-L130 HydrophobicContact CZ-CG 4.48Å |
| 117 | P | 96.5 | Very high | 96.8 | Very high | 13 Ų | 13 | 34 Ų | 34 | 8% | 0.084 | 18% | 0.181 | C | C | . | . | trans | -63.2 | 163.9 | 172.1 | -17.8 | 31.1 | 0 | 0 | 0 | 112.7 | L103 A122 V123 | L103-P117 HydrophobicContact CD2-CG 4.12Å; P117-A122 HydrophobicContact CB-CB 3.69Å; P117-A122 HydrophobicContact CG-CB 3.85Å; P117-V123 WeakPolarHBondContact O-CG2 3.36Å | ||
| 118 | G | 94 | Very high | 96.7 | Very high | 33 Ų | 33 | 38.3 Ų | 38.3 | 34% | 0.34 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -80.8 | -11.9 | -172.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | S14 | S14-G118 WeakPolarHBondContact CB-O 3.32Å; S14-G118 PolarHBondContact OG-O 3.28Å |
| 119 | S | 94.1 | Very high | 96.7 | Very high | 63 Ų | 63 | 37.7 Ų | 37.7 | 44% | 0.441 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -89.2 | 145.6 | -176.5 | 78.6 | 0 | 0 | 0 | 0 | 112.1 | K121 A122 V123 | S119-K121 PolarHBondContact O-N 3.43Å; S119-A122 PolarHBondContact O-N 3.27Å; S119-A122 VanDerWaalsContact OG-CB 3.24Å; S119-A122 WeakPolarHBondContact OG-CB 3.36Å; S119-A122 PolarHBondContact OG-N 3.25Å; S119-V123 WeakPolarHBondContact O-CG2 3.29Å; S119-V123 PolarHBondContact O-N 3.01Å |
| 120 | V | 95.1 | Very high | 96.8 | Very high | 46 Ų | 46 | 35 Ų | 35 | 28% | 0.279 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -55.3 | -41.3 | 178.4 | 173 | 0 | 0 | 0 | 0 | 111.7 | E13 A17 K124 | E13-V120 HydrophobicContact CB-CG2 3.89Å; A17-V120 HydrophobicContact CB-CG1 3.76Å; A17-V120 HydrophobicContact CB-CG2 4.5Å; V120-K124 WeakPolarHBondContact O-CG 3.5Å; V120-K124 PolarHBondContact O-N 3.38Å |
| 121 | K | 95.5 | Very high | 97 | Very high | 143 Ų | 143 | 32.7 Ų | 32.7 | 62% | 0.622 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -61 | -51.3 | 177.7 | 176.5 | 177.2 | 168.7 | 177.6 | 0 | 111.3 | S119 V123 K124 E125 | S119-K121 PolarHBondContact O-N 3.43Å; K121-V123 VanDerWaalsContact C-N 3.32Å; K121-V123 PolarHBondContact O-N 3.45Å; K121-K124 PolarHBondContact O-N 3.34Å; K121-E125 WeakPolarHBondContact CE-OE1 3.5Å; K121-E125 IonicContact NZ-OE1 3.8Å; K121-E125 WeakPolarHBondContact O-CG 3.34Å; K121-E125 PolarHBondContact O-N 2.88Å; K121-E125 VanDerWaalsContact O-N 3.08Å |
| 122 | A | 95.8 | Very high | 96.9 | Very high | 11 Ų | 11 | 37 Ų | 37 | 9% | 0.091 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -67.9 | -33.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | P117 S119 K124 E125 C126 | P117-A122 HydrophobicContact CB-CB 3.69Å; P117-A122 HydrophobicContact CG-CB 3.85Å; S119-A122 PolarHBondContact O-N 3.27Å; S119-A122 VanDerWaalsContact OG-CB 3.24Å; S119-A122 WeakPolarHBondContact OG-CB 3.36Å; S119-A122 PolarHBondContact OG-N 3.25Å; A122-K124 VanDerWaalsContact C-N 3.34Å; A122-E125 PolarHBondContact O-N 3.16Å; A122-C126 VanDerWaalsContact O-CB 3.31Å; A122-C126 WeakPolarHBondContact O-CB 3.04Å; A122-C126 PolarHBondContact O-N 2.93Å; A122-C126 PolarHBondContact O-SG 2.91Å |
| 123 | V | 96.5 | Very high | 96.8 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59 | -45.4 | 172.3 | 165.1 | 0 | 0 | 0 | 0 | 111.2 | L18 V60 F116 P117 S119 K121 W127 | L18-V123 HydrophobicContact CB-CG1 3.67Å; L18-V123 HydrophobicContact CD1-CG1 4.14Å; L18-V123 HydrophobicContact CG-CG1 4.35Å; V60-V123 HydrophobicContact CG1-CG2 3.61Å; V60-V123 HydrophobicContact CG2-CG2 4.34Å; F116-V123 HydrophobicContact CB-CG2 4.5Å; F116-V123 HydrophobicContact CD2-CG1 4.34Å; P117-V123 WeakPolarHBondContact O-CG2 3.36Å; S119-V123 WeakPolarHBondContact O-CG2 3.29Å; S119-V123 PolarHBondContact O-N 3.01Å; K121-V123 VanDerWaalsContact C-N 3.32Å; K121-V123 PolarHBondContact O-N 3.45Å; V123-W127 VanDerWaalsContact O-CB 3.3Å; V123-W127 WeakPolarHBondContact O-CB 3.37Å; V123-W127 PolarHBondContact O-N 3.5Å |
| 124 | K | 96.3 | Very high | 96.7 | Very high | 110 Ų | 110 | 40.3 Ų | 40.3 | 48% | 0.478 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -63.5 | -49.4 | 177.8 | -70.3 | 178.3 | 177.2 | -172.1 | 0 | 111.5 | V120 K121 A122 C126 W127 D128 | V120-K124 WeakPolarHBondContact O-CG 3.5Å; V120-K124 PolarHBondContact O-N 3.38Å; K121-K124 PolarHBondContact O-N 3.34Å; A122-K124 VanDerWaalsContact C-N 3.34Å; K124-C126 VanDerWaalsContact C-N 3.34Å; K124-C126 PolarHBondContact O-N 3.49Å; K124-W127 PolarHBondContact O-N 3.38Å; K124-W127 VanDerWaalsContact O-N 3.13Å; K124-D128 VanDerWaalsContact O-CG 3.27Å; K124-D128 PolarHBondContact O-N 2.9Å |
| 125 | E | 96.9 | Very high | 96.5 | Very high | 53 Ų | 53 | 43.2 Ų | 43.2 | 25% | 0.248 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -56.9 | -46.5 | 177.3 | -68.5 | 170.9 | 177 | 0 | 0 | 112 | S94 K121 A122 W127 D128 I129 | S94-E125 WeakPolarHBondContact CB-OE2 3.27Å; S94-E125 WeakPolarHBondContact OG-CB 3.1Å; S94-E125 PolarHBondContact OG-OE2 2.74Å; K121-E125 WeakPolarHBondContact CE-OE1 3.5Å; K121-E125 IonicContact NZ-OE1 3.8Å; K121-E125 WeakPolarHBondContact O-CG 3.34Å; K121-E125 PolarHBondContact O-N 2.88Å; K121-E125 VanDerWaalsContact O-N 3.08Å; A122-E125 PolarHBondContact O-N 3.16Å; E125-W127 PolarHBondContact O-N 3.46Å; E125-D128 PolarHBondContact O-N 3.43Å; E125-I129 WeakPolarHBondContact O-CD1 3.31Å; E125-I129 VanDerWaalsContact O-CG1 3.32Å; E125-I129 WeakPolarHBondContact O-CG1 3.24Å; E125-I129 PolarHBondContact O-N 2.91Å |
| 126 | C | 98 | Very high | 96.3 | Very high | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.007 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.2 | -37.4 | 177.8 | -72 | 0 | 0 | 0 | 0 | 112.3 | L90 F116 A122 K124 I129 L130 | L90-C126 HydrophobicContact CD2-CB 3.97Å; L90-C126 WeakPolarHBondContact CD2-O 3.37Å; F116-C126 HydrophobicContact CD1-CB 3.79Å; F116-C126 HydrophobicContact CD2-CB 3.72Å; F116-C126 HydrophobicContact CE1-CB 3.69Å; F116-C126 HydrophobicContact CE2-CB 3.62Å; F116-C126 HydrophobicContact CG-CB 3.81Å; F116-C126 HydrophobicContact CZ-CB 3.59Å; A122-C126 VanDerWaalsContact O-CB 3.31Å; A122-C126 WeakPolarHBondContact O-CB 3.04Å; A122-C126 PolarHBondContact O-N 2.93Å; A122-C126 PolarHBondContact O-SG 2.91Å; K124-C126 VanDerWaalsContact C-N 3.34Å; K124-C126 PolarHBondContact O-N 3.49Å; C126-I129 PolarHBondContact O-N 3.28Å; C126-L130 VanDerWaalsContact O-CB 3.26Å; C126-L130 WeakPolarHBondContact O-CB 3.3Å; C126-L130 PolarHBondContact O-N 3.49Å |
| 127 | W | 97.8 | Very high | 96.1 | Very high | 12 Ų | 12 | 48.7 Ų | 48.7 | 5% | 0.045 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.5 | -44.4 | 177.5 | -178.5 | -113 | 0 | 0 | 0 | 112 | L18 A21 I22 F25 I58 F116 V123 K124 E125 I129 L130 C131 L134 | L18-W127 HydrophobicContact CD1-CB 4.1Å; L18-W127 HydrophobicContact CD1-CD2 3.85Å; L18-W127 HydrophobicContact CD1-CE3 3.77Å; L18-W127 HydrophobicContact CD1-CG 4Å; A21-W127 VanDerWaalsContact CB-CD1 3.47Å; A21-W127 HydrophobicContact CB-CG 4.26Å; A21-W127 PolarHBondContact O-NE1 3.21Å; I22-W127 HydrophobicContact CB-CZ2 4.34Å; I22-W127 HydrophobicContact CG1-CH2 3.79Å; I22-W127 HydrophobicContact CG1-CZ2 3.62Å; I22-W127 HydrophobicContact CG1-CZ3 4.38Å; F25-W127 AromaticContact CD2-CH2 3.81Å; F25-W127 HydrophobicContact CD2-CH2 3.81Å; F25-W127 AromaticContact CD2-CZ2 3.96Å; F25-W127 HydrophobicContact CD2-CZ2 3.96Å; F25-W127 AromaticContact CE2-CH2 3.87Å; F25-W127 HydrophobicContact CE2-CH2 3.87Å; F25-W127 AromaticContact CE2-CZ2 4Å; F25-W127 HydrophobicContact CE2-CZ2 4Å; I58-W127 HydrophobicContact CD1-CE3 3.97Å; I58-W127 HydrophobicContact CD1-CZ3 3.63Å; F116-W127 HydrophobicContact CE2-CB 4.02Å; F116-W127 HydrophobicContact CE2-CE3 4.45Å; F116-W127 HydrophobicContact CZ-CE3 4.49Å; V123-W127 VanDerWaalsContact O-CB 3.3Å; V123-W127 WeakPolarHBondContact O-CB 3.37Å; V123-W127 PolarHBondContact O-N 3.5Å; K124-W127 PolarHBondContact O-N 3.38Å; K124-W127 VanDerWaalsContact O-N 3.13Å; E125-W127 PolarHBondContact O-N 3.46Å; W127-I129 PolarHBondContact O-N 3.08Å; W127-L130 PolarHBondContact O-N 3.13Å; W127-L130 VanDerWaalsContact O-N 3.14Å; W127-C131 HydrophobicContact CD2-CB 4.13Å; W127-C131 HydrophobicContact CH2-CB 4.35Å; W127-C131 HydrophobicContact CZ2-CB 3.95Å; W127-C131 WeakPolarHBondContact O-CB 3.4Å; W127-C131 PolarHBondContact O-N 3.17Å; W127-L134 HydrophobicContact CH2-CD1 3.82Å; W127-L134 HydrophobicContact CZ3-CD1 3.75Å |
| 128 | D | 97.1 | Very high | 95.9 | Very high | 115 Ų | 115 | 49.7 Ų | 49.7 | 62% | 0.615 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -59.8 | -33.4 | 179.3 | -68.1 | -19.3 | 0 | 0 | 0 | 111.6 | K124 E125 P132 | K124-D128 VanDerWaalsContact O-CG 3.27Å; K124-D128 PolarHBondContact O-N 2.9Å; E125-D128 PolarHBondContact O-N 3.43Å; D128-P132 VanDerWaalsContact O-CD 3.32Å; D128-P132 WeakPolarHBondContact O-CD 3.36Å |
| 129 | I | 97.8 | Very high | 95.8 | Very high | 43 Ų | 43 | 48.8 Ų | 48.8 | 22% | 0.221 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -77 | -44.8 | 175 | -62.4 | 162 | 0 | 0 | 0 | 111.4 | A89 L90 E125 C126 W127 L133 | A89-I129 HydrophobicContact CB-CG2 4.25Å; L90-I129 HydrophobicContact CD2-CB 3.93Å; L90-I129 HydrophobicContact CD2-CD1 4.47Å; L90-I129 HydrophobicContact CD2-CG2 3.86Å; E125-I129 WeakPolarHBondContact O-CD1 3.31Å; E125-I129 VanDerWaalsContact O-CG1 3.32Å; E125-I129 WeakPolarHBondContact O-CG1 3.24Å; E125-I129 PolarHBondContact O-N 2.91Å; C126-I129 PolarHBondContact O-N 3.28Å; W127-I129 PolarHBondContact O-N 3.08Å; I129-L133 WeakPolarHBondContact O-CG 3.44Å |
| 130 | L | 97.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -75.8 | -43.1 | -172.6 | -177.4 | 69.8 | 0 | 0 | 0 | 113 | I58 V86 L90 F112 V114 F116 C126 W127 L133 L134 I137 | I58-L130 HydrophobicContact CD1-CD2 3.96Å; I58-L130 HydrophobicContact CG1-CD2 4.42Å; V86-L130 HydrophobicContact CG1-CD1 3.97Å; L90-L130 HydrophobicContact CD2-CB 4.43Å; F112-L130 HydrophobicContact CE1-CD1 3.94Å; V114-L130 HydrophobicContact CG1-CD2 3.71Å; F116-L130 HydrophobicContact CE1-CB 4.46Å; F116-L130 HydrophobicContact CE1-CD2 3.78Å; F116-L130 HydrophobicContact CZ-CB 4.04Å; F116-L130 HydrophobicContact CZ-CD2 3.63Å; F116-L130 HydrophobicContact CZ-CG 4.48Å; C126-L130 VanDerWaalsContact O-CB 3.26Å; C126-L130 WeakPolarHBondContact O-CB 3.3Å; C126-L130 PolarHBondContact O-N 3.49Å; W127-L130 PolarHBondContact O-N 3.13Å; W127-L130 VanDerWaalsContact O-N 3.14Å; L130-L133 WeakPolarHBondContact O-CA 3.46Å; L130-L133 WeakPolarHBondContact O-CB 3.42Å; L130-L133 PolarHBondContact O-N 3.5Å; L130-L134 HydrophobicContact CD1-CD2 3.95Å; L130-L134 HydrophobicContact CD2-CD1 4.45Å; L130-L134 HydrophobicContact CD2-CD2 4.03Å; L130-L134 HydrophobicContact CD2-CG 4.43Å; L130-L134 HydrophobicContact CG-CD1 4.4Å; L130-L134 HydrophobicContact CG-CD2 3.8Å; L130-L134 HydrophobicContact CG-CG 3.98Å; L130-L134 PolarHBondContact O-N 2.98Å; L130-I137 HydrophobicContact CD1-CD1 4.42Å |
| 131 | C | 97.2 | Very high | 95.4 | Very high | 36 Ų | 36 | 50.8 Ų | 50.8 | 24% | 0.243 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -45.9 | -51.6 | -174.2 | 179.2 | 0 | 0 | 0 | 0 | 113.6 | W127 L133 L134 | W127-C131 HydrophobicContact CD2-CB 4.13Å; W127-C131 HydrophobicContact CH2-CB 4.35Å; W127-C131 HydrophobicContact CZ2-CB 3.95Å; W127-C131 WeakPolarHBondContact O-CB 3.4Å; W127-C131 PolarHBondContact O-N 3.17Å; C131-L133 PolarHBondContact O-N 3.16Å; C131-L134 PolarHBondContact O-N 3.13Å |
| 132 | P | 96.4 | Very high | 94.9 | Very high | 93 Ų | 93 | 48.6 Ų | 48.6 | 60% | 0.604 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -67.7 | -19.1 | 179 | 26.8 | -36 | 0 | 0 | 0 | 114.1 | D128 | D128-P132 VanDerWaalsContact O-CD 3.32Å; D128-P132 WeakPolarHBondContact O-CD 3.36Å |
| 133 | L | 96.4 | Very high | 94 | Very high | 70 Ų | 70 | 51.3 Ų | 51.3 | 37% | 0.366 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -83.7 | -27.6 | 179.9 | -53.4 | 178.4 | 0 | 0 | 0 | 112.4 | I129 L130 C131 H136 I137 | I129-L133 WeakPolarHBondContact O-CG 3.44Å; L130-L133 WeakPolarHBondContact O-CA 3.46Å; L130-L133 WeakPolarHBondContact O-CB 3.42Å; L130-L133 PolarHBondContact O-N 3.5Å; C131-L133 PolarHBondContact O-N 3.16Å; L133-H136 PolarHBondContact O-N 3.18Å; L133-I137 HydrophobicContact CB-CD1 3.81Å; L133-I137 HydrophobicContact CB-CG1 4.47Å; L133-I137 WeakPolarHBondContact O-CG1 3.32Å; L133-I137 PolarHBondContact O-N 2.77Å |
| 134 | L | 96.1 | Very high | 92.6 | Very high | 3 Ų | 3 | 57 Ų | 57 | 2% | 0.016 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -56.9 | -45.1 | -171.2 | -69.9 | -179.7 | 0 | 0 | 0 | 114.4 | F25 V56 F112 W127 L130 C131 H136 I137 T138 | F25-L134 HydrophobicContact CE1-CB 3.84Å; F25-L134 HydrophobicContact CE1-CD1 4.05Å; F25-L134 HydrophobicContact CE2-CD1 4.28Å; F25-L134 HydrophobicContact CZ-CB 3.83Å; F25-L134 HydrophobicContact CZ-CD1 3.88Å; F25-L134 HydrophobicContact CZ-CG 4.46Å; V56-L134 HydrophobicContact CG1-CD2 4.06Å; V56-L134 HydrophobicContact CG2-CD2 4.02Å; F112-L134 HydrophobicContact CD1-CD2 4.22Å; F112-L134 HydrophobicContact CE1-CD2 4.46Å; W127-L134 HydrophobicContact CH2-CD1 3.82Å; W127-L134 HydrophobicContact CZ3-CD1 3.75Å; L130-L134 HydrophobicContact CD1-CD2 3.95Å; L130-L134 HydrophobicContact CD2-CD1 4.45Å; L130-L134 HydrophobicContact CD2-CD2 4.03Å; L130-L134 HydrophobicContact CD2-CG 4.43Å; L130-L134 HydrophobicContact CG-CD1 4.4Å; L130-L134 HydrophobicContact CG-CD2 3.8Å; L130-L134 HydrophobicContact CG-CG 3.98Å; L130-L134 PolarHBondContact O-N 2.98Å; C131-L134 PolarHBondContact O-N 3.13Å; L134-H136 VanDerWaalsContact C-N 3.26Å; L134-H136 PolarHBondContact O-N 2.79Å; L134-I137 HydrophobicContact CD2-CD1 4.47Å; L134-I137 PolarHBondContact O-N 3.38Å; L134-T138 WeakPolarHBondContact O-CG2 3.32Å; L134-T138 PolarHBondContact O-N 3.31Å; L134-T138 PolarHBondContact O-OG1 3.32Å; L134-T138 VanDerWaalsContact O-OG1 3.12Å |
| 135 | P | 94.2 | Very high | 90.6 | Very high | 61 Ų | 61 | 61.4 Ų | 61.4 | 40% | 0.396 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -59.8 | -36.6 | 179.6 | -25 | 35.5 | 0 | 0 | 0 | 113.2 | T138 C139 M146 | P135-T138 PolarHBondContact O-OG1 3.38Å; P135-C139 VanDerWaalsContact O-CB 3.27Å; P135-C139 WeakPolarHBondContact O-CB 3.3Å; P135-C139 PolarHBondContact O-N 3.5Å; P135-M146 HydrophobicContact CB-CE 4.09Å |
| 136 | H | 94.2 | Very high | 88.8 | Confident | 91 Ų | 91 | 63.4 Ų | 63.4 | 42% | 0.421 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -75.3 | -42 | 178 | -169.9 | 63 | 0 | 0 | 0 | 111.3 | L133 L134 T138 C139 L140 M146 | L133-H136 PolarHBondContact O-N 3.18Å; L134-H136 VanDerWaalsContact C-N 3.26Å; L134-H136 PolarHBondContact O-N 2.79Å; H136-T138 VanDerWaalsContact C-N 3.35Å; H136-T138 PolarHBondContact O-N 3.24Å; H136-C139 PolarHBondContact O-N 3.47Å; H136-L140 WeakPolarHBondContact NE2-CD1 3.45Å; H136-L140 WeakPolarHBondContact O-CG 3.28Å; H136-L140 PolarHBondContact O-N 3.01Å; H136-M146 HydrophobicContact CB-CE 4.42Å; H136-M146 HydrophobicContact CB-SD 4.08Å; H136-M146 PolarHBondContact ND1-SD 3.29Å |
| 137 | I | 95.3 | Very high | 86.7 | Confident | 25 Ų | 25 | 70 Ų | 70 | 13% | 0.128 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -56.2 | -49.1 | 176.5 | -71.2 | 167.3 | 0 | 0 | 0 | 110.7 | V86 F112 L130 L133 L134 L140 M141 | V86-I137 HydrophobicContact CG2-CD1 4.32Å; F112-I137 HydrophobicContact CB-CG2 3.95Å; F112-I137 HydrophobicContact CD1-CG2 4.24Å; F112-I137 HydrophobicContact CD2-CG2 3.71Å; F112-I137 HydrophobicContact CE1-CD1 4.3Å; F112-I137 HydrophobicContact CE2-CG2 4.27Å; F112-I137 HydrophobicContact CG-CG2 3.7Å; F112-I137 HydrophobicContact CZ-CD1 4.21Å; L130-I137 HydrophobicContact CD1-CD1 4.42Å; L133-I137 HydrophobicContact CB-CD1 3.81Å; L133-I137 HydrophobicContact CB-CG1 4.47Å; L133-I137 WeakPolarHBondContact O-CG1 3.32Å; L133-I137 PolarHBondContact O-N 2.77Å; L134-I137 HydrophobicContact CD2-CD1 4.47Å; L134-I137 PolarHBondContact O-N 3.38Å; I137-L140 PolarHBondContact O-N 2.99Å; I137-M141 HydrophobicContact CG2-SD 3.91Å; I137-M141 WeakPolarHBondContact O-CG 3.49Å; I137-M141 PolarHBondContact O-N 3.06Å; I137-M141 VanDerWaalsContact O-N 3.14Å |
| 138 | T | 92.2 | Very high | 84.4 | Confident | 34 Ų | 34 | 74.4 Ų | 74.4 | 21% | 0.209 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -69.2 | -37.9 | -178.4 | 55.3 | 0 | 0 | 0 | 0 | 112.2 | A55 V56 L134 P135 H136 M141 N142 | A55-T138 HydrophobicContact CB-CG2 4.09Å; V56-T138 HydrophobicContact CG2-CG2 3.95Å; L134-T138 WeakPolarHBondContact O-CG2 3.32Å; L134-T138 PolarHBondContact O-N 3.31Å; L134-T138 PolarHBondContact O-OG1 3.32Å; L134-T138 VanDerWaalsContact O-OG1 3.12Å; P135-T138 PolarHBondContact O-OG1 3.38Å; H136-T138 VanDerWaalsContact C-N 3.35Å; H136-T138 PolarHBondContact O-N 3.24Å; T138-M141 PolarHBondContact O-N 2.95Å; T138-N142 PolarHBondContact O-N 3.43Å; T138-N142 VanDerWaalsContact O-N 3.13Å |
| 139 | C | 91.9 | Very high | 81.9 | Confident | 14 Ų | 14 | 74 Ų | 74 | 10% | 0.095 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -59.9 | -46.4 | 174.2 | -175.6 | 0 | 0 | 0 | 0 | 111.9 | P135 H136 M141 N142 G143 E144 M146 | P135-C139 VanDerWaalsContact O-CB 3.27Å; P135-C139 WeakPolarHBondContact O-CB 3.3Å; P135-C139 PolarHBondContact O-N 3.5Å; H136-C139 PolarHBondContact O-N 3.47Å; C139-M141 VanDerWaalsContact C-N 3.3Å; C139-M141 PolarHBondContact O-N 3.41Å; C139-N142 PolarHBondContact O-N 2.97Å; C139-G143 PolarHBondContact O-N 2.86Å; C139-E144 PolarHBondContact O-N 2.95Å; C139-E144 VanDerWaalsContact O-N 3.16Å; C139-E144 VanDerWaalsContact SG-CB 3.53Å; C139-E144 PolarHBondContact SG-O 2.87Å; C139-E144 VanDerWaalsContact SG-O 3.34Å; C139-M146 HydrophobicContact CB-CE 4.43Å; C139-M146 HydrophobicContact CB-CG 4.19Å |
| 140 | L | 91.2 | Very high | 79 | Confident | 109 Ų | 109 | 78.9 Ų | 78.9 | 57% | 0.571 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.5 | -38.3 | 177.1 | -73.9 | 176.3 | 0 | 0 | 0 | 112.6 | H136 I137 G143 | H136-L140 WeakPolarHBondContact NE2-CD1 3.45Å; H136-L140 WeakPolarHBondContact O-CG 3.28Å; H136-L140 PolarHBondContact O-N 3.01Å; I137-L140 PolarHBondContact O-N 2.99Å; L140-G143 PolarHBondContact O-N 3.17Å |
| 141 | M | 89.9 | Confident | 78 | Confident | 42 Ų | 42 | 82.8 Ų | 82.8 | 21% | 0.207 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -68.2 | -36.6 | 179 | -72.7 | 167 | 43 | 0 | 0 | 112.6 | V107 D110 F112 I137 T138 C139 G143 | V107-M141 HydrophobicContact CG1-CE 4.2Å; V107-M141 HydrophobicContact CG1-CG 4.47Å; V107-M141 HydrophobicContact CG1-SD 4.37Å; V107-M141 HydrophobicContact CG2-CG 4.29Å; V107-M141 HydrophobicContact CG2-SD 3.99Å; D110-M141 WeakPolarHBondContact O-CE 2.8Å; F112-M141 HydrophobicContact CB-CE 4.32Å; F112-M141 HydrophobicContact CB-SD 3.77Å; I137-M141 HydrophobicContact CG2-SD 3.91Å; I137-M141 WeakPolarHBondContact O-CG 3.49Å; I137-M141 PolarHBondContact O-N 3.06Å; I137-M141 VanDerWaalsContact O-N 3.14Å; T138-M141 PolarHBondContact O-N 2.95Å; C139-M141 VanDerWaalsContact C-N 3.3Å; C139-M141 PolarHBondContact O-N 3.41Å; M141-G143 PolarHBondContact O-N 2.94Å |
| 142 | N | 83.5 | Confident | 77 | Confident | 96 Ų | 96 | 85.3 Ų | 85.3 | 51% | 0.513 | 53% | 0.531 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -0.7 | 178.7 | -66.5 | -17.1 | 0 | 0 | 0 | 113.5 | T138 C139 E144 | T138-N142 PolarHBondContact O-N 3.43Å; T138-N142 VanDerWaalsContact O-N 3.13Å; C139-N142 PolarHBondContact O-N 2.97Å; N142-E144 HydrophobicContact CB-CG 4.07Å; N142-E144 PolarHBondContact O-N 2.59Å |
| 143 | G | 76.9 | Confident | 75.9 | Confident | 68 Ų | 68 | 84.8 Ų | 84.8 | 70% | 0.701 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70 | 15.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | C139 L140 M141 | C139-G143 PolarHBondContact O-N 2.86Å; L140-G143 PolarHBondContact O-N 3.17Å; M141-G143 PolarHBondContact O-N 2.94Å |
| 144 | E | 68.4 | Low | 74.7 | Confident | 122 Ų | 122 | 85.7 Ų | 85.7 | 57% | 0.57 | 54% | 0.537 | S | S | * | . | P | Polyproline II helix | trans | -81.8 | 141.9 | 177.9 | -67.6 | 179.3 | 169.9 | 0 | 0 | 109.9 | C139 N142 | C139-E144 PolarHBondContact O-N 2.95Å; C139-E144 VanDerWaalsContact O-N 3.16Å; C139-E144 VanDerWaalsContact SG-CB 3.53Å; C139-E144 PolarHBondContact SG-O 2.87Å; C139-E144 VanDerWaalsContact SG-O 3.34Å; N142-E144 HydrophobicContact CB-CG 4.07Å; N142-E144 PolarHBondContact O-N 2.59Å |
| 145 | K | 54.3 | Low | 73.4 | Confident | 201 Ų | 201 | 90.9 Ų | 90.9 | 87% | 0.874 | 57% | 0.569 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 117.3 | 171.8 | -70.1 | -174 | -179.7 | -178.2 | 0 | 108.5 | V147 | K145-V147 PolarHBondContact O-N 3.21Š|
| 146 | M | 58.2 | Low | 72 | Confident | 95 Ų | 95 | 92.9 Ų | 92.9 | 47% | 0.468 | 58% | 0.581 | S | S | . | * | P | Polyproline II helix | trans | -65.1 | 127.5 | 162.3 | -101.3 | -166.2 | 173.7 | 0 | 0 | 109 | P135 H136 C139 S148 | P135-M146 HydrophobicContact CB-CE 4.09Å; H136-M146 HydrophobicContact CB-CE 4.42Å; H136-M146 HydrophobicContact CB-SD 4.08Å; H136-M146 PolarHBondContact ND1-SD 3.29Å; C139-M146 HydrophobicContact CB-CE 4.43Å; C139-M146 HydrophobicContact CB-CG 4.19Å; M146-S148 PolarHBondContact O-N 3.26Å; M146-S148 VanDerWaalsContact O-N 3.15Å |
| 147 | V | 53.1 | Low | 70.4 | Confident | 140 Ų | 140 | 93 Ų | 93 | 85% | 0.848 | 59% | 0.592 | S | S | * | * | trans | -67.6 | 110.4 | 163.2 | -173 | 0 | 0 | 0 | 0 | 105.5 | K145 A149 | K145-V147 PolarHBondContact O-N 3.21Å; V147-A149 PolarHBondContact O-N 3.21Å; V147-A149 VanDerWaalsContact O-N 3.08Å | ||
| 148 | S | 50.1 | Low | 68.5 | Low | 104 Ų | 104 | 98.2 Ų | 98.2 | 73% | 0.727 | 63% | 0.628 | S | S | * | * | trans | -55.1 | 117.2 | 178.3 | 50.1 | 0 | 0 | 0 | 0 | 109.3 | M146 G150 | M146-S148 PolarHBondContact O-N 3.26Å; M146-S148 VanDerWaalsContact O-N 3.15Å; S148-G150 PolarHBondContact O-N 3.16Å; S148-G150 VanDerWaalsContact O-N 3.11Å | ||
| 149 | A | 44.1 | Very low | 66.6 | Low | 106 Ų | 106 | 103.6 Ų | 103.6 | 88% | 0.876 | 66% | 0.663 | S | S | * | * | trans | -69.1 | 103 | 158.9 | 0 | 0 | 0 | 0 | 0 | 106 | V147 | V147-A149 PolarHBondContact O-N 3.21Å; V147-A149 VanDerWaalsContact O-N 3.08Å | ||
| 150 | G | 37.1 | Very low | 64.2 | Low | 146 Ų | 146 | 111.7 Ų | 111.7 | 100% | 1.505 | 72% | 0.715 | S | S | * | * | trans | -73.7 | 0 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | S148 | S148-G150 PolarHBondContact O-N 3.16Å; S148-G150 VanDerWaalsContact O-N 3.11Å |
Retrieved 150 of 150 residues in 67.7 ms
(Link to these results)