| 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 | 43.6 | Very low | 50.4 | Low | 245 Ų | 245 | 145 Ų | 145 | 100% | 1.207 | 73% | 0.73 | S | S | * | * | 0 | 85.1 | 0 | -62.5 | 177.3 | -164.9 | 0 | 0 | 107.1 | N3 | M1-N3 PolarHBondContact O-N 3.35Š| |||
| 2 | V | 47.9 | Very low | 51.7 | Low | 143 Ų | 143 | 144.9 Ų | 144.9 | 87% | 0.867 | 72% | 0.722 | S | S | * | * | trans | -70.7 | 125.9 | 177.3 | 175.9 | 0 | 0 | 0 | 0 | 106.8 | S4 | V2-S4 PolarHBondContact O-N 3.47Š| ||
| 3 | N | 45.9 | Very low | 53.7 | Low | 95 Ų | 95 | 144.2 Ų | 144.2 | 51% | 0.508 | 72% | 0.715 | S | S | . | * | trans | -60.4 | 99.9 | -163.9 | -166.1 | 8.3 | 0 | 0 | 0 | 111.2 | M1 Q5 Q6 | M1-N3 PolarHBondContact O-N 3.35Å; N3-Q5 PolarHBondContact O-N 3.44Å; N3-Q5 VanDerWaalsContact OD1-CB 3.24Å; N3-Q5 WeakPolarHBondContact OD1-CB 3.01Å; N3-Q5 VanDerWaalsContact OD1-CG 3.27Å; N3-Q5 WeakPolarHBondContact OD1-CG 3.41Å; N3-Q5 PolarHBondContact OD1-N 3.26Å; N3-Q6 PolarHBondContact O-N 3.35Å | ||
| 4 | S | 54 | Low | 55.8 | Low | 83 Ų | 83 | 145.1 Ų | 145.1 | 58% | 0.58 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.2 | -9.4 | 174.3 | 54.3 | 0 | 0 | 0 | 0 | 113 | V2 | V2-S4 PolarHBondContact O-N 3.47Š|
| 5 | Q | 47.5 | Very low | 57.7 | Low | 128 Ų | 128 | 138.8 Ų | 138.8 | 60% | 0.598 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | -18.8 | 176.2 | -57.5 | -66.5 | -58.3 | 0 | 0 | 113.9 | N3 F7 | N3-Q5 PolarHBondContact O-N 3.44Å; N3-Q5 VanDerWaalsContact OD1-CB 3.24Å; N3-Q5 WeakPolarHBondContact OD1-CB 3.01Å; N3-Q5 VanDerWaalsContact OD1-CG 3.27Å; N3-Q5 WeakPolarHBondContact OD1-CG 3.41Å; N3-Q5 PolarHBondContact OD1-N 3.26Å; Q5-F7 VanDerWaalsContact C-N 3.34Å |
| 6 | Q | 47.6 | Very low | 59.6 | Low | 165 Ų | 165 | 134.8 Ų | 134.8 | 77% | 0.771 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | -22.2 | 179 | -74.9 | -147.9 | -43 | 0 | 0 | 113.7 | N3 | N3-Q6 PolarHBondContact O-N 3.35Š|
| 7 | F | 50.7 | Low | 61.3 | Low | 175 Ų | 175 | 135.1 Ų | 135.1 | 77% | 0.768 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.2 | -6 | -179.1 | -70.4 | -74.5 | 0 | 0 | 0 | 114.3 | Q5 | Q5-F7 VanDerWaalsContact C-N 3.34Š|
| 8 | V | 51.6 | Low | 62.9 | Low | 108 Ų | 108 | 130.1 Ų | 130.1 | 66% | 0.655 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.3 | -8.9 | -169.1 | -175.7 | 0 | 0 | 0 | 0 | 114.1 | K10 | V8-K10 PolarHBondContact O-N 3.12Š|
| 9 | K | 49.4 | Very low | 64.3 | Low | 162 Ų | 162 | 129.2 Ų | 129.2 | 70% | 0.704 | 65% | 0.654 | S | S | * | * | trans | -100.6 | 66 | 169.4 | -69.7 | -167.5 | 177.3 | -168.3 | 0 | 111.8 | D11 | K9-D11 WeakPolarHBondContact CD-OD2 3.38Å; K9-D11 WeakPolarHBondContact CG-OD2 3.41Å; K9-D11 PolarHBondContact O-N 3.5Å | ||
| 10 | K | 56.2 | Low | 65.6 | Low | 183 Ų | 183 | 128.9 Ų | 128.9 | 80% | 0.796 | 65% | 0.648 | S | S | * | * | trans | -85.9 | 59 | 146.9 | -91.1 | -176.2 | 169.9 | 169.7 | 0 | 107.3 | V8 F12 | V8-K10 PolarHBondContact O-N 3.12Å; K10-F12 PolarHBondContact O-N 2.7Å | ||
| 11 | D | 60.6 | Low | 67 | Low | 108 Ų | 108 | 126.2 Ų | 126.2 | 58% | 0.578 | 64% | 0.638 | S | S | * | * | trans | -63.1 | 128.8 | 165.5 | -67.5 | -37.5 | 0 | 0 | 0 | 105.4 | K9 E13 | K9-D11 WeakPolarHBondContact CD-OD2 3.38Å; K9-D11 WeakPolarHBondContact CG-OD2 3.41Å; K9-D11 PolarHBondContact O-N 3.5Å; D11-E13 PolarHBondContact O-N 3.39Å | ||
| 12 | F | 65.9 | Low | 69.4 | Low | 144 Ų | 144 | 119.2 Ų | 119.2 | 63% | 0.632 | 60% | 0.604 | S | S | * | * | trans | -40.5 | 118.9 | 178.2 | -79.7 | -92.5 | 0 | 0 | 0 | 109.9 | K10 D16 Y17 | K10-F12 PolarHBondContact O-N 2.7Å; F12-D16 HydrophobicContact CB-CB 4.33Å; F12-D16 HydrophobicContact CD1-CB 3.75Å; F12-Y17 HydrophobicContact CB-CD2 4.06Å; F12-Y17 HydrophobicContact CB-CE2 3.37Å; F12-Y17 HydrophobicContact CG-CE2 4.4Å | ||
| 13 | E | 77 | Confident | 71.5 | Confident | 136 Ų | 136 | 115.3 Ų | 115.3 | 64% | 0.636 | 58% | 0.583 | S | S | * | * | trans | -67.6 | 156.5 | -178.1 | -68 | -176.6 | 178.6 | 0 | 0 | 108.3 | D11 A15 D16 Y17 | D11-E13 PolarHBondContact O-N 3.39Å; E13-A15 HydrophobicContact CB-CB 4.32Å; E13-A15 PolarHBondContact O-N 2.94Å; E13-D16 PolarHBondContact N-OD2 2.94Å; E13-D16 PolarHBondContact O-N 3.32Å; E13-Y17 PolarHBondContact O-N 2.9Å | ||
| 14 | I | 82.9 | Confident | 73.8 | Confident | 157 Ų | 157 | 114.8 Ų | 114.8 | 81% | 0.805 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -51.8 | -30.6 | 173 | -64.3 | 166.4 | 0 | 0 | 0 | 110.4 | A18 | I14-A18 WeakPolarHBondContact O-CB 3.22Å; I14-A18 PolarHBondContact O-N 3.26Å |
| 15 | A | 85.5 | Confident | 75.8 | Confident | 50 Ų | 50 | 115.7 Ų | 115.7 | 41% | 0.413 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -61.9 | -43.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | E13 Y17 A18 I19 | E13-A15 HydrophobicContact CB-CB 4.32Å; E13-A15 PolarHBondContact O-N 2.94Å; A15-Y17 PolarHBondContact O-N 3.4Å; A15-A18 PolarHBondContact O-N 3.26Å; A15-I19 VanDerWaalsContact O-CG1 3.28Å; A15-I19 WeakPolarHBondContact O-CG1 3.35Å; A15-I19 PolarHBondContact O-N 3.05Å |
| 16 | D | 87.3 | Confident | 78 | Confident | 74 Ų | 74 | 114.4 Ų | 114.4 | 40% | 0.396 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -63.2 | -44.8 | -179.2 | -66.8 | -66.8 | 0 | 0 | 0 | 111.3 | F12 E13 I19 F20 | F12-D16 HydrophobicContact CB-CB 4.33Å; F12-D16 HydrophobicContact CD1-CB 3.75Å; E13-D16 PolarHBondContact N-OD2 2.94Å; E13-D16 PolarHBondContact O-N 3.32Å; D16-I19 PolarHBondContact O-N 3.36Å; D16-F20 WeakPolarHBondContact O-CB 3.47Å; D16-F20 PolarHBondContact O-N 3Å |
| 17 | Y | 88.5 | Confident | 80.1 | Confident | 140 Ų | 140 | 110.1 Ų | 110.1 | 55% | 0.549 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63.7 | -41.2 | 175.2 | -70.2 | -72.5 | 0 | 0 | 0 | 111.8 | F12 E13 A15 F20 V21 | F12-Y17 HydrophobicContact CB-CD2 4.06Å; F12-Y17 HydrophobicContact CB-CE2 3.37Å; F12-Y17 HydrophobicContact CG-CE2 4.4Å; E13-Y17 PolarHBondContact O-N 2.9Å; A15-Y17 PolarHBondContact O-N 3.4Å; Y17-F20 PolarHBondContact O-N 3.22Å; Y17-V21 WeakPolarHBondContact O-CB 3.23Å; Y17-V21 VanDerWaalsContact O-CG2 3.29Å; Y17-V21 WeakPolarHBondContact O-CG2 3.44Å; Y17-V21 PolarHBondContact O-N 3.49Å |
| 18 | A | 90 | Very high | 82.2 | Confident | 45 Ų | 45 | 106.1 Ų | 106.1 | 37% | 0.372 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -62.3 | -47 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | I14 A15 F20 V21 I22 | I14-A18 WeakPolarHBondContact O-CB 3.22Å; I14-A18 PolarHBondContact O-N 3.26Å; A15-A18 PolarHBondContact O-N 3.26Å; A18-F20 VanDerWaalsContact C-N 3.33Å; A18-F20 PolarHBondContact O-N 2.88Å; A18-V21 PolarHBondContact O-N 3.19Å; A18-I22 WeakPolarHBondContact O-CB 3.47Å; A18-I22 WeakPolarHBondContact O-CD1 3.42Å; A18-I22 VanDerWaalsContact O-CG1 3.22Å; A18-I22 WeakPolarHBondContact O-CG1 3.18Å; A18-I22 PolarHBondContact O-N 2.87Å |
| 19 | I | 90.7 | Very high | 84.1 | Confident | 114 Ų | 114 | 103.6 Ų | 103.6 | 59% | 0.585 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -60.7 | -45.1 | 176.9 | -68 | 164.9 | 0 | 0 | 0 | 110.2 | A15 D16 I22 S23 | A15-I19 VanDerWaalsContact O-CG1 3.28Å; A15-I19 WeakPolarHBondContact O-CG1 3.35Å; A15-I19 PolarHBondContact O-N 3.05Å; D16-I19 PolarHBondContact O-N 3.36Å; I19-I22 PolarHBondContact O-N 3.21Å; I19-S23 VanDerWaalsContact O-CB 3.24Å; I19-S23 WeakPolarHBondContact O-CB 3.42Å; I19-S23 PolarHBondContact O-N 3.41Å; I19-S23 PolarHBondContact O-OG 3.41Å |
| 20 | F | 89.6 | Confident | 86 | Confident | 122 Ų | 122 | 99.4 Ų | 99.4 | 54% | 0.535 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -58.6 | -51.1 | 177.9 | 179.5 | -108.4 | 0 | 0 | 0 | 111.7 | D16 Y17 A18 I22 S23 L24 | D16-F20 WeakPolarHBondContact O-CB 3.47Å; D16-F20 PolarHBondContact O-N 3Å; Y17-F20 PolarHBondContact O-N 3.22Å; A18-F20 VanDerWaalsContact C-N 3.33Å; A18-F20 PolarHBondContact O-N 2.88Å; F20-I22 PolarHBondContact O-N 3.09Å; F20-S23 PolarHBondContact O-N 3.29Å; F20-S23 PolarHBondContact O-OG 2.89Å; F20-L24 HydrophobicContact CD1-CD1 4.13Å; F20-L24 HydrophobicContact CE1-CD1 3.57Å; F20-L24 HydrophobicContact CE2-CD1 4.1Å; F20-L24 HydrophobicContact CE2-CG 4.48Å; F20-L24 HydrophobicContact CZ-CD1 3.56Å; F20-L24 HydrophobicContact CZ-CG 4.41Å; F20-L24 WeakPolarHBondContact O-CG 3.42Å; F20-L24 PolarHBondContact O-N 2.98Å; F20-L24 VanDerWaalsContact O-N 3.12Å |
| 21 | V | 94.4 | Very high | 87.5 | Confident | 73 Ų | 73 | 92.8 Ų | 92.8 | 44% | 0.442 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.3 | -46.2 | 179.3 | 171 | 0 | 0 | 0 | 0 | 111.3 | Y17 A18 S23 L24 I25 | Y17-V21 WeakPolarHBondContact O-CB 3.23Å; Y17-V21 VanDerWaalsContact O-CG2 3.29Å; Y17-V21 WeakPolarHBondContact O-CG2 3.44Å; Y17-V21 PolarHBondContact O-N 3.49Å; A18-V21 PolarHBondContact O-N 3.19Å; V21-S23 VanDerWaalsContact C-N 3.34Å; V21-S23 PolarHBondContact O-N 2.91Å; V21-L24 PolarHBondContact O-N 3.36Å; V21-I25 HydrophobicContact CG1-CD1 3.61Å; V21-I25 HydrophobicContact CG1-CG1 4.29Å; V21-I25 VanDerWaalsContact O-CG1 3.31Å; V21-I25 WeakPolarHBondContact O-CG1 3.43Å; V21-I25 PolarHBondContact O-N 3.48Å |
| 22 | I | 94.3 | Very high | 88.9 | Confident | 98 Ų | 98 | 91.2 Ų | 91.2 | 50% | 0.503 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.2 | -44.4 | 177.8 | -68.7 | 166.8 | 0 | 0 | 0 | 110.8 | A18 I19 F20 L24 I25 I26 | A18-I22 WeakPolarHBondContact O-CB 3.47Å; A18-I22 WeakPolarHBondContact O-CD1 3.42Å; A18-I22 VanDerWaalsContact O-CG1 3.22Å; A18-I22 WeakPolarHBondContact O-CG1 3.18Å; A18-I22 PolarHBondContact O-N 2.87Å; I19-I22 PolarHBondContact O-N 3.21Å; F20-I22 PolarHBondContact O-N 3.09Å; I22-L24 PolarHBondContact O-N 3.1Å; I22-I25 PolarHBondContact O-N 3.49Å; I22-I26 HydrophobicContact CG2-CD1 3.87Å; I22-I26 HydrophobicContact CG2-CG1 4.46Å; I22-I26 WeakPolarHBondContact O-CG1 3.33Å; I22-I26 PolarHBondContact O-N 3.47Å; I22-I26 VanDerWaalsContact O-N 3.14Å |
| 23 | S | 91.9 | Very high | 89.9 | Confident | 61 Ų | 61 | 91.6 Ų | 91.6 | 43% | 0.427 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.7 | -24.8 | -179.8 | 76.4 | 0 | 0 | 0 | 0 | 113.5 | I19 F20 V21 P27 | I19-S23 VanDerWaalsContact O-CB 3.24Å; I19-S23 WeakPolarHBondContact O-CB 3.42Å; I19-S23 PolarHBondContact O-N 3.41Å; I19-S23 PolarHBondContact O-OG 3.41Å; F20-S23 PolarHBondContact O-N 3.29Å; F20-S23 PolarHBondContact O-OG 2.89Å; V21-S23 VanDerWaalsContact C-N 3.34Å; V21-S23 PolarHBondContact O-N 2.91Å; S23-P27 WeakPolarHBondContact O-CD 3.36Å; S23-P27 VanDerWaalsContact O-CG 3.24Å; S23-P27 WeakPolarHBondContact O-CG 3.41Å |
| 24 | L | 93.8 | Very high | 90.1 | Very high | 85 Ų | 85 | 92.5 Ų | 92.5 | 45% | 0.445 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -85.4 | -39.6 | 173.4 | -70.2 | 178.2 | 0 | 0 | 0 | 112.5 | F20 V21 I22 I26 P27 V28 | F20-L24 HydrophobicContact CD1-CD1 4.13Å; F20-L24 HydrophobicContact CE1-CD1 3.57Å; F20-L24 HydrophobicContact CE2-CD1 4.1Å; F20-L24 HydrophobicContact CE2-CG 4.48Å; F20-L24 HydrophobicContact CZ-CD1 3.56Å; F20-L24 HydrophobicContact CZ-CG 4.41Å; F20-L24 WeakPolarHBondContact O-CG 3.42Å; F20-L24 PolarHBondContact O-N 2.98Å; F20-L24 VanDerWaalsContact O-N 3.12Å; V21-L24 PolarHBondContact O-N 3.36Å; I22-L24 PolarHBondContact O-N 3.1Å; L24-I26 VanDerWaalsContact C-N 3.33Å; L24-I26 PolarHBondContact O-N 2.63Å; L24-P27 VanDerWaalsContact O-CD 3.27Å; L24-P27 WeakPolarHBondContact O-CD 3.33Å; L24-P27 WeakPolarHBondContact O-CG 3.48Å; L24-V28 WeakPolarHBondContact O-CB 3.49Å; L24-V28 WeakPolarHBondContact O-CG2 3.26Å; L24-V28 PolarHBondContact O-N 2.82Å |
| 25 | I | 96 | Very high | 89.9 | Confident | 101 Ų | 101 | 88 Ų | 88 | 52% | 0.518 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.2 | -41.7 | -179.1 | -72.8 | 171.4 | 0 | 0 | 0 | 110.8 | V21 I22 V28 A29 | V21-I25 HydrophobicContact CG1-CD1 3.61Å; V21-I25 HydrophobicContact CG1-CG1 4.29Å; V21-I25 VanDerWaalsContact O-CG1 3.31Å; V21-I25 WeakPolarHBondContact O-CG1 3.43Å; V21-I25 PolarHBondContact O-N 3.48Å; I22-I25 PolarHBondContact O-N 3.49Å; I25-V28 PolarHBondContact O-N 3.28Å; I25-A29 WeakPolarHBondContact O-CB 3.3Å; I25-A29 PolarHBondContact O-N 3.05Å |
| 26 | I | 94.2 | Very high | 89.7 | Confident | 101 Ų | 101 | 94.3 Ų | 94.3 | 52% | 0.518 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -57.2 | -58.5 | -178.3 | -65.6 | 165.9 | 0 | 0 | 0 | 112.6 | I22 L24 V28 A29 V30 | I22-I26 HydrophobicContact CG2-CD1 3.87Å; I22-I26 HydrophobicContact CG2-CG1 4.46Å; I22-I26 WeakPolarHBondContact O-CG1 3.33Å; I22-I26 PolarHBondContact O-N 3.47Å; I22-I26 VanDerWaalsContact O-N 3.14Å; L24-I26 VanDerWaalsContact C-N 3.33Å; L24-I26 PolarHBondContact O-N 2.63Å; I26-V28 VanDerWaalsContact C-N 3.32Å; I26-V28 PolarHBondContact O-N 3.43Å; I26-A29 PolarHBondContact O-N 3.41Å; I26-V30 VanDerWaalsContact O-CG2 3.32Å; I26-V30 WeakPolarHBondContact O-CG2 3.35Å; I26-V30 PolarHBondContact O-N 3.44Å |
| 27 | P | 91.9 | Very high | 88.9 | Confident | 76 Ų | 76 | 94 Ų | 94 | 49% | 0.494 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.4 | -32.6 | -179.6 | 25.6 | -34.5 | 0 | 0 | 0 | 112.5 | S23 L24 V30 G31 | S23-P27 WeakPolarHBondContact O-CD 3.36Å; S23-P27 VanDerWaalsContact O-CG 3.24Å; S23-P27 WeakPolarHBondContact O-CG 3.41Å; L24-P27 VanDerWaalsContact O-CD 3.27Å; L24-P27 WeakPolarHBondContact O-CD 3.33Å; L24-P27 WeakPolarHBondContact O-CG 3.48Å; P27-V30 PolarHBondContact O-N 2.89Å; P27-G31 PolarHBondContact O-N 3.28Å |
| 28 | V | 94 | Very high | 87.6 | Confident | 91 Ų | 91 | 88.9 Ų | 88.9 | 55% | 0.552 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.1 | -46.9 | 174.3 | 171.5 | 0 | 0 | 0 | 0 | 110.5 | L24 I25 I26 V30 G31 V32 | L24-V28 WeakPolarHBondContact O-CB 3.49Å; L24-V28 WeakPolarHBondContact O-CG2 3.26Å; L24-V28 PolarHBondContact O-N 2.82Å; I25-V28 PolarHBondContact O-N 3.28Å; I26-V28 VanDerWaalsContact C-N 3.32Å; I26-V28 PolarHBondContact O-N 3.43Å; V28-V30 VanDerWaalsContact C-N 3.33Å; V28-V30 PolarHBondContact O-N 3.31Å; V28-G31 PolarHBondContact O-N 2.85Å; V28-V32 HydrophobicContact CG1-CG2 4.21Å; V28-V32 WeakPolarHBondContact O-CB 3.44Å; V28-V32 VanDerWaalsContact O-CG2 3.24Å; V28-V32 WeakPolarHBondContact O-CG2 2.96Å; V28-V32 PolarHBondContact O-N 3.23Å |
| 29 | A | 92.8 | Very high | 86.3 | Confident | 54 Ų | 54 | 94 Ų | 94 | 45% | 0.446 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.2 | -42.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | I25 I26 Y33 | I25-A29 WeakPolarHBondContact O-CB 3.3Å; I25-A29 PolarHBondContact O-N 3.05Å; I26-A29 PolarHBondContact O-N 3.41Å; A29-Y33 WeakPolarHBondContact O-CB 3.21Å; A29-Y33 PolarHBondContact O-N 3.31Å |
| 30 | V | 88.6 | Confident | 85 | Confident | 74 Ų | 74 | 98.8 Ų | 98.8 | 45% | 0.448 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63 | -45.8 | 174.5 | 172.9 | 0 | 0 | 0 | 0 | 111 | I26 P27 V28 Y33 Y34 | I26-V30 VanDerWaalsContact O-CG2 3.32Å; I26-V30 WeakPolarHBondContact O-CG2 3.35Å; I26-V30 PolarHBondContact O-N 3.44Å; P27-V30 PolarHBondContact O-N 2.89Å; V28-V30 VanDerWaalsContact C-N 3.33Å; V28-V30 PolarHBondContact O-N 3.31Å; V30-Y33 PolarHBondContact O-N 3.42Å; V30-Y34 HydrophobicContact CG1-CD2 3.7Å; V30-Y34 HydrophobicContact CG1-CE2 3.75Å; V30-Y34 VanDerWaalsContact O-CD2 3.24Å; V30-Y34 WeakPolarHBondContact O-CD2 3.43Å; V30-Y34 PolarHBondContact O-N 3.25Å |
| 31 | G | 87.4 | Confident | 83.9 | Confident | 45 Ų | 45 | 98.4 Ų | 98.4 | 46% | 0.464 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.7 | -43.1 | 178 | 0 | 0 | 0 | 0 | 0 | 113 | P27 V28 G35 | P27-G31 PolarHBondContact O-N 3.28Å; V28-G31 PolarHBondContact O-N 2.85Å; G31-G35 PolarHBondContact O-N 2.88Å |
| 32 | V | 89.4 | Confident | 82.7 | Confident | 74 Ų | 74 | 98.4 Ų | 98.4 | 45% | 0.448 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.6 | -46.2 | 175.3 | 169.7 | 0 | 0 | 0 | 0 | 110.3 | V28 Y34 G35 F36 | V28-V32 HydrophobicContact CG1-CG2 4.21Å; V28-V32 WeakPolarHBondContact O-CB 3.44Å; V28-V32 VanDerWaalsContact O-CG2 3.24Å; V28-V32 WeakPolarHBondContact O-CG2 2.96Å; V28-V32 PolarHBondContact O-N 3.23Å; V32-Y34 PolarHBondContact O-N 3.32Å; V32-G35 PolarHBondContact O-N 3.36Å; V32-G35 VanDerWaalsContact O-N 3.14Å; V32-F36 HydrophobicContact CG1-CD2 3.65Å; V32-F36 HydrophobicContact CG1-CE2 3.89Å; V32-F36 WeakPolarHBondContact O-CD2 3.46Å; V32-F36 PolarHBondContact O-N 3.44Å |
| 33 | Y | 87.6 | Confident | 81.6 | Confident | 152 Ų | 152 | 98 Ų | 98 | 60% | 0.596 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -57.2 | -50.2 | 177.7 | 179.3 | -97.1 | 0 | 0 | 0 | 111.5 | A29 V30 G35 A37 | A29-Y33 WeakPolarHBondContact O-CB 3.21Å; A29-Y33 PolarHBondContact O-N 3.31Å; V30-Y33 PolarHBondContact O-N 3.42Å; Y33-G35 VanDerWaalsContact C-N 3.32Å; Y33-G35 PolarHBondContact O-N 2.91Å; Y33-A37 HydrophobicContact CD2-CB 4.3Å; Y33-A37 HydrophobicContact CE2-CB 4.1Å; Y33-A37 WeakPolarHBondContact O-CA 3.49Å; Y33-A37 WeakPolarHBondContact O-CB 3.39Å; Y33-A37 PolarHBondContact O-N 3.21Å |
| 34 | Y | 80.1 | Confident | 80.6 | Confident | 156 Ų | 156 | 102.1 Ų | 102.1 | 61% | 0.612 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -71.3 | -25.4 | 177.3 | -76.2 | -67.3 | 0 | 0 | 0 | 113.6 | V30 V32 G38 | V30-Y34 HydrophobicContact CG1-CD2 3.7Å; V30-Y34 HydrophobicContact CG1-CE2 3.75Å; V30-Y34 VanDerWaalsContact O-CD2 3.24Å; V30-Y34 WeakPolarHBondContact O-CD2 3.43Å; V30-Y34 PolarHBondContact O-N 3.25Å; V32-Y34 PolarHBondContact O-N 3.32Å; Y34-G38 VanDerWaalsContact O-CA 3.29Å; Y34-G38 WeakPolarHBondContact O-CA 3.48Å; Y34-G38 PolarHBondContact O-N 3.34Å |
| 35 | G | 80.1 | Confident | 79.7 | Confident | 62 Ų | 62 | 101.6 Ų | 101.6 | 64% | 0.639 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -70.8 | -40.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | G31 V32 Y33 | G31-G35 PolarHBondContact O-N 2.88Å; V32-G35 PolarHBondContact O-N 3.36Å; V32-G35 VanDerWaalsContact O-N 3.14Å; Y33-G35 VanDerWaalsContact C-N 3.32Å; Y33-G35 PolarHBondContact O-N 2.91Å |
| 36 | F | 81.3 | Confident | 78.6 | Confident | 183 Ų | 183 | 102 Ų | 102 | 80% | 0.803 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -94.5 | -42.5 | -178.6 | -76.1 | -83.2 | 0 | 0 | 0 | 113.7 | V32 | V32-F36 HydrophobicContact CG1-CD2 3.65Å; V32-F36 HydrophobicContact CG1-CE2 3.89Å; V32-F36 WeakPolarHBondContact O-CD2 3.46Å; V32-F36 PolarHBondContact O-N 3.44Å |
| 37 | A | 69.8 | Low | 77.5 | Confident | 67 Ų | 67 | 103.1 Ų | 103.1 | 55% | 0.554 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -89 | -11.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y33 Q39 | Y33-A37 HydrophobicContact CD2-CB 4.3Å; Y33-A37 HydrophobicContact CE2-CB 4.1Å; Y33-A37 WeakPolarHBondContact O-CA 3.49Å; Y33-A37 WeakPolarHBondContact O-CB 3.39Å; Y33-A37 PolarHBondContact O-N 3.21Å; A37-Q39 PolarHBondContact O-N 3.16Å |
| 38 | G | 61.4 | Low | 76.4 | Confident | 32 Ų | 32 | 103.1 Ų | 103.1 | 33% | 0.33 | 55% | 0.553 | S | S | . | * | S | Bend | trans | -66.8 | 128 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y34 K40 | Y34-G38 VanDerWaalsContact O-CA 3.29Å; Y34-G38 WeakPolarHBondContact O-CA 3.48Å; Y34-G38 PolarHBondContact O-N 3.34Å; G38-K40 PolarHBondContact O-N 3.37Å |
| 39 | Q | 63.7 | Low | 75 | Confident | 152 Ų | 152 | 99.7 Ų | 99.7 | 71% | 0.71 | 54% | 0.536 | S | S | * | . | trans | -49 | 137.2 | 162.6 | -170.3 | 173.6 | 6 | 0 | 0 | 108.7 | A37 R41 | A37-Q39 PolarHBondContact O-N 3.16Å; Q39-R41 PolarHBondContact O-N 3.28Å | ||
| 40 | K | 62.9 | Low | 73.5 | Confident | 215 Ų | 215 | 98.1 Ų | 98.1 | 94% | 0.935 | 52% | 0.522 | S | S | * | . | trans | -60.3 | 73.2 | -180 | -62.8 | -177.4 | -177.2 | -177.6 | 0 | 111.3 | G38 | G38-K40 PolarHBondContact O-N 3.37Š| ||
| 41 | R | 65.5 | Low | 72.3 | Confident | 114 Ų | 114 | 101.2 Ų | 101.2 | 43% | 0.43 | 55% | 0.547 | S | S | . | . | trans | -75.6 | 142.3 | 171.7 | -69.2 | -175.2 | -173.6 | 133.4 | 4.9 | 107.4 | Q39 S43 E45 I46 | Q39-R41 PolarHBondContact O-N 3.28Å; R41-S43 PolarHBondContact O-N 3.03Å; R41-E45 HydrophobicContact CB-CB 4.4Å; R41-I46 HydrophobicContact CB-CD1 4.04Å; R41-I46 HydrophobicContact CB-CG1 3.68Å | ||
| 42 | S | 70.5 | Confident | 71.3 | Confident | 74 Ų | 74 | 109.3 Ų | 109.3 | 52% | 0.517 | 56% | 0.563 | S | S | . | * | trans | -57.1 | 141.5 | 171.1 | 176.2 | 0 | 0 | 0 | 0 | 108.7 | R44 E45 I46 | S42-R44 PolarHBondContact O-N 3.3Å; S42-R44 PolarHBondContact OG-N 3.11Å; S42-E45 WeakPolarHBondContact O-CA 3.33Å; S42-E45 WeakPolarHBondContact O-CB 3.48Å; S42-E45 PolarHBondContact O-N 3.24Å; S42-I46 PolarHBondContact O-N 3.25Å; S42-I46 VanDerWaalsContact O-N 3.1Å | ||
| 43 | S | 71.3 | Confident | 70.5 | Confident | 88 Ų | 88 | 110.3 Ų | 110.3 | 62% | 0.615 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -51.7 | -34.8 | 176.1 | -47.4 | 0 | 0 | 0 | 0 | 111.4 | R41 E45 I46 L47 | R41-S43 PolarHBondContact O-N 3.03Å; S43-E45 PolarHBondContact O-N 3.31Å; S43-I46 PolarHBondContact O-N 2.91Å; S43-L47 WeakPolarHBondContact O-CB 3.46Å; S43-L47 WeakPolarHBondContact O-CG 3.39Å; S43-L47 PolarHBondContact O-N 3.43Å |
| 44 | R | 70.4 | Confident | 70.2 | Confident | 148 Ų | 148 | 105 Ų | 105 | 56% | 0.558 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -64.9 | -37 | 175.8 | -168.1 | 177.8 | -173.7 | -177.5 | 3.6 | 113 | S42 L48 | S42-R44 PolarHBondContact O-N 3.3Å; S42-R44 PolarHBondContact OG-N 3.11Å; R44-L48 HydrophobicContact CG-CD1 3.65Å; R44-L48 HydrophobicContact CG-CG 4.12Å; R44-L48 VanDerWaalsContact O-CB 3.3Å; R44-L48 WeakPolarHBondContact O-CB 3.39Å; R44-L48 WeakPolarHBondContact O-CG 3.28Å; R44-L48 PolarHBondContact O-N 2.94Å |
| 45 | E | 74.5 | Confident | 70.4 | Confident | 75 Ų | 75 | 104.8 Ų | 104.8 | 35% | 0.35 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -71.4 | -34.9 | 177.7 | -172.9 | -176.2 | -179.1 | 0 | 0 | 111.8 | R41 S42 S43 G49 S50 | R41-E45 HydrophobicContact CB-CB 4.4Å; S42-E45 WeakPolarHBondContact O-CA 3.33Å; S42-E45 WeakPolarHBondContact O-CB 3.48Å; S42-E45 PolarHBondContact O-N 3.24Å; S43-E45 PolarHBondContact O-N 3.31Å; E45-G49 CarbonylContact O-C 3.25Å; E45-G49 VanDerWaalsContact O-C 3.25Å; E45-G49 WeakPolarHBondContact O-CA 3.36Å; E45-G49 PolarHBondContact O-N 2.93Å; E45-S50 PolarHBondContact O-N 3.33Å |
| 46 | I | 73.2 | Confident | 70.8 | Confident | 109 Ų | 109 | 109 Ų | 109 | 56% | 0.559 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -68.5 | -44.1 | 173.5 | -62.4 | 171.8 | 0 | 0 | 0 | 110.3 | R41 S42 S43 | R41-I46 HydrophobicContact CB-CD1 4.04Å; R41-I46 HydrophobicContact CB-CG1 3.68Å; S42-I46 PolarHBondContact O-N 3.25Å; S42-I46 VanDerWaalsContact O-N 3.1Å; S43-I46 PolarHBondContact O-N 2.91Å |
| 47 | L | 70.8 | Confident | 71.1 | Confident | 124 Ų | 124 | 103.7 Ų | 103.7 | 65% | 0.649 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -73.6 | -43.7 | -175.9 | -70.2 | 173.7 | 0 | 0 | 0 | 113.8 | S43 G49 T114 | S43-L47 WeakPolarHBondContact O-CB 3.46Å; S43-L47 WeakPolarHBondContact O-CG 3.39Å; S43-L47 PolarHBondContact O-N 3.43Å; L47-G49 PolarHBondContact O-N 3.22Å; L47-T114 HydrophobicContact CD1-CG2 4.42Å |
| 48 | L | 68.7 | Low | 71.8 | Confident | 77 Ų | 77 | 103.5 Ų | 103.5 | 40% | 0.403 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -76.5 | -13.4 | 178.5 | -65.2 | 179.6 | 0 | 0 | 0 | 112.3 | R44 | R44-L48 HydrophobicContact CG-CD1 3.65Å; R44-L48 HydrophobicContact CG-CG 4.12Å; R44-L48 VanDerWaalsContact O-CB 3.3Å; R44-L48 WeakPolarHBondContact O-CB 3.39Å; R44-L48 WeakPolarHBondContact O-CG 3.28Å; R44-L48 PolarHBondContact O-N 2.94Å |
| 49 | G | 65.3 | Low | 73.1 | Confident | 18 Ų | 18 | 103.6 Ų | 103.6 | 19% | 0.186 | 54% | 0.539 | C | S | . | . | trans | 67.2 | 123.2 | -158.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | E45 L47 S51 | E45-G49 CarbonylContact O-C 3.25Å; E45-G49 VanDerWaalsContact O-C 3.25Å; E45-G49 WeakPolarHBondContact O-CA 3.36Å; E45-G49 PolarHBondContact O-N 2.93Å; L47-G49 PolarHBondContact O-N 3.22Å; G49-S51 PolarHBondContact O-N 2.93Å | ||
| 50 | S | 60.6 | Low | 74.4 | Confident | 21 Ų | 21 | 100.4 Ų | 100.4 | 15% | 0.147 | 53% | 0.525 | C | S | . | . | trans | -52.1 | 149.7 | 162.5 | 71.2 | 0 | 0 | 0 | 0 | 107.9 | E45 R52 L53 | E45-S50 PolarHBondContact O-N 3.33Å; S50-R52 PolarHBondContact O-N 3.26Å; S50-R52 WeakPolarHBondContact OG-CB 3.43Å; S50-R52 PolarHBondContact OG-N 3.12Å; S50-L53 PolarHBondContact O-N 2.97Å | ||
| 51 | S | 62.9 | Low | 75.5 | Confident | 139 Ų | 139 | 92.7 Ų | 92.7 | 97% | 0.972 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -0.6 | 173.1 | -49.5 | 0 | 0 | 0 | 0 | 114.2 | G49 | G49-S51 PolarHBondContact O-N 2.93Š|
| 52 | R | 67.3 | Low | 76.6 | Confident | 216 Ų | 216 | 92.8 Ų | 92.8 | 82% | 0.815 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -15 | 174 | -49.6 | -178.7 | 178.3 | -177.3 | -0.4 | 113.7 | S50 G54 | S50-R52 PolarHBondContact O-N 3.26Å; S50-R52 WeakPolarHBondContact OG-CB 3.43Å; S50-R52 PolarHBondContact OG-N 3.12Å; R52-G54 PolarHBondContact O-N 2.9Å |
| 53 | L | 73.4 | Confident | 77.5 | Confident | 94 Ų | 94 | 93.3 Ų | 93.3 | 49% | 0.492 | 51% | 0.506 | S | S | . | . | S | Bend | trans | -72.7 | 123.9 | 172.7 | -70.8 | -175.6 | 0 | 0 | 0 | 108.8 | S50 V58 | S50-L53 PolarHBondContact O-N 2.97Å; L53-V58 HydrophobicContact CB-CG2 4.16Å; L53-V58 HydrophobicContact CD1-CG2 4.48Å |
| 54 | G | 80.9 | Confident | 78.3 | Confident | 40 Ų | 40 | 92.4 Ų | 92.4 | 41% | 0.412 | 51% | 0.505 | S | S | . | . | trans | -61.6 | 153.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | R52 F56 P57 | R52-G54 PolarHBondContact O-N 2.9Å; G54-F56 PolarHBondContact O-N 3.44Å; G54-P57 VanDerWaalsContact O-CD 3.32Å; G54-P57 WeakPolarHBondContact O-CD 3.32Å | ||
| 55 | I | 84 | Confident | 79.1 | Confident | 153 Ų | 153 | 91.3 Ų | 91.3 | 79% | 0.785 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -59.5 | -33.7 | 177.2 | -62.9 | 161.5 | 0 | 0 | 0 | 110.9 | V58 A59 | I55-V58 PolarHBondContact O-N 3.4Å; I55-A59 WeakPolarHBondContact O-CB 3.36Å; I55-A59 PolarHBondContact O-N 3.03Å |
| 56 | F | 89.1 | Confident | 79.6 | Confident | 149 Ų | 149 | 95 Ų | 95 | 65% | 0.654 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -66 | -53.1 | -175.5 | -175.9 | -94.3 | 0 | 0 | 0 | 113.7 | G54 V58 A59 M60 | G54-F56 PolarHBondContact O-N 3.44Å; F56-V58 VanDerWaalsContact C-N 3.28Å; F56-V58 PolarHBondContact O-N 3.5Å; F56-A59 PolarHBondContact O-N 2.9Å; F56-M60 HydrophobicContact CD1-CG 4.3Å; F56-M60 HydrophobicContact CE1-CG 3.94Å; F56-M60 HydrophobicContact CE2-CE 4.27Å; F56-M60 HydrophobicContact CE2-CG 4.46Å; F56-M60 HydrophobicContact CZ-CE 4.49Å; F56-M60 HydrophobicContact CZ-CG 4.03Å; F56-M60 HydrophobicContact CZ-SD 4.27Å; F56-M60 WeakPolarHBondContact O-CG 3.16Å; F56-M60 PolarHBondContact O-N 3.21Å |
| 57 | P | 86.7 | Confident | 80.2 | Confident | 73 Ų | 73 | 95.4 Ų | 95.4 | 47% | 0.474 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -55.6 | -39.9 | 172.7 | -27.8 | 32.4 | 0 | 0 | 0 | 114.1 | G54 M60 A61 | G54-P57 VanDerWaalsContact O-CD 3.32Å; G54-P57 WeakPolarHBondContact O-CD 3.32Å; P57-M60 PolarHBondContact O-N 3.4Å; P57-A61 WeakPolarHBondContact O-CB 3.29Å; P57-A61 PolarHBondContact O-N 3.37Å |
| 58 | V | 84.4 | Confident | 80.8 | Confident | 62 Ų | 62 | 91.2 Ų | 91.2 | 38% | 0.376 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.3 | -45.9 | 179.1 | 177.3 | 0 | 0 | 0 | 0 | 110.5 | L53 I55 F56 M60 A61 L62 | L53-V58 HydrophobicContact CB-CG2 4.16Å; L53-V58 HydrophobicContact CD1-CG2 4.48Å; I55-V58 PolarHBondContact O-N 3.4Å; F56-V58 VanDerWaalsContact C-N 3.28Å; F56-V58 PolarHBondContact O-N 3.5Å; V58-M60 PolarHBondContact O-N 2.91Å; V58-A61 PolarHBondContact O-N 3.3Å; V58-L62 HydrophobicContact CG1-CD1 4.14Å; V58-L62 WeakPolarHBondContact O-CG 3.15Å; V58-L62 PolarHBondContact O-N 3.49Å |
| 59 | A | 89.2 | Confident | 81.1 | Confident | 34 Ų | 34 | 90.9 Ų | 90.9 | 28% | 0.281 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.6 | -43.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | I55 F56 A61 L62 I63 | I55-A59 WeakPolarHBondContact O-CB 3.36Å; I55-A59 PolarHBondContact O-N 3.03Å; F56-A59 PolarHBondContact O-N 2.9Å; A59-A61 PolarHBondContact O-N 3Å; A59-L62 PolarHBondContact O-N 2.98Å; A59-I63 VanDerWaalsContact O-CG1 3.3Å; A59-I63 WeakPolarHBondContact O-CG1 3.48Å; A59-I63 PolarHBondContact O-N 2.95Å |
| 60 | M | 89.9 | Confident | 81.4 | Confident | 85 Ų | 85 | 91.5 Ų | 91.5 | 42% | 0.419 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.7 | -43.1 | 176.6 | -71.8 | -60.7 | 104 | 0 | 0 | 112.1 | F56 P57 V58 L62 I63 A64 | F56-M60 HydrophobicContact CD1-CG 4.3Å; F56-M60 HydrophobicContact CE1-CG 3.94Å; F56-M60 HydrophobicContact CE2-CE 4.27Å; F56-M60 HydrophobicContact CE2-CG 4.46Å; F56-M60 HydrophobicContact CZ-CE 4.49Å; F56-M60 HydrophobicContact CZ-CG 4.03Å; F56-M60 HydrophobicContact CZ-SD 4.27Å; F56-M60 WeakPolarHBondContact O-CG 3.16Å; F56-M60 PolarHBondContact O-N 3.21Å; P57-M60 PolarHBondContact O-N 3.4Å; V58-M60 PolarHBondContact O-N 2.91Å; M60-L62 VanDerWaalsContact C-N 3.35Å; M60-L62 PolarHBondContact O-N 3.48Å; M60-I63 HydrophobicContact CE-CD1 3.73Å; M60-I63 PolarHBondContact O-N 3.48Å; M60-A64 VanDerWaalsContact O-CB 3.27Å; M60-A64 WeakPolarHBondContact O-CB 3.31Å; M60-A64 PolarHBondContact O-N 2.81Å |
| 61 | A | 88 | Confident | 82.2 | Confident | 54 Ų | 54 | 91.5 Ų | 91.5 | 45% | 0.446 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.1 | -39.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | P57 V58 A59 T65 | P57-A61 WeakPolarHBondContact O-CB 3.29Å; P57-A61 PolarHBondContact O-N 3.37Å; V58-A61 PolarHBondContact O-N 3.3Å; A59-A61 PolarHBondContact O-N 3Å; A61-T65 WeakPolarHBondContact O-CB 3.31Å; A61-T65 PolarHBondContact O-N 3.45Å; A61-T65 PolarHBondContact O-OG1 2.9Å |
| 62 | L | 87.5 | Confident | 82.9 | Confident | 116 Ų | 116 | 89.2 Ų | 89.2 | 61% | 0.607 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65.6 | -44.5 | 175.5 | -72.1 | 172.6 | 0 | 0 | 0 | 111.6 | V58 A59 M60 T65 Y66 | V58-L62 HydrophobicContact CG1-CD1 4.14Å; V58-L62 WeakPolarHBondContact O-CG 3.15Å; V58-L62 PolarHBondContact O-N 3.49Å; A59-L62 PolarHBondContact O-N 2.98Å; M60-L62 VanDerWaalsContact C-N 3.35Å; M60-L62 PolarHBondContact O-N 3.48Å; L62-T65 PolarHBondContact O-N 3.14Å; L62-Y66 VanDerWaalsContact O-CB 3.27Å; L62-Y66 WeakPolarHBondContact O-CB 3.29Å; L62-Y66 PolarHBondContact O-N 3.33Å |
| 63 | I | 90 | Very high | 83.2 | Confident | 84 Ų | 84 | 84.3 Ų | 84.3 | 43% | 0.431 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63 | -46.4 | 176.2 | -68.5 | 168.1 | 0 | 0 | 0 | 110.4 | A59 M60 T65 Y66 M67 | A59-I63 VanDerWaalsContact O-CG1 3.3Å; A59-I63 WeakPolarHBondContact O-CG1 3.48Å; A59-I63 PolarHBondContact O-N 2.95Å; M60-I63 HydrophobicContact CE-CD1 3.73Å; M60-I63 PolarHBondContact O-N 3.48Å; I63-T65 VanDerWaalsContact C-N 3.28Å; I63-T65 PolarHBondContact O-N 3.44Å; I63-Y66 PolarHBondContact O-N 3.42Å; I63-M67 HydrophobicContact CG2-CG 3.98Å; I63-M67 VanDerWaalsContact O-CB 3.32Å; I63-M67 WeakPolarHBondContact O-CB 3.38Å; I63-M67 VanDerWaalsContact O-CG 3.23Å; I63-M67 WeakPolarHBondContact O-CG 3.21Å; I63-M67 PolarHBondContact O-N 2.87Å |
| 64 | A | 88.3 | Confident | 83.3 | Confident | 70 Ų | 70 | 80.2 Ų | 80.2 | 58% | 0.579 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -60.6 | -37.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | M60 | M60-A64 VanDerWaalsContact O-CB 3.27Å; M60-A64 WeakPolarHBondContact O-CB 3.31Å; M60-A64 PolarHBondContact O-N 2.81Å |
| 65 | T | 87.4 | Confident | 83.2 | Confident | 124 Ų | 124 | 83 Ų | 83 | 76% | 0.761 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -74.6 | -32.9 | 177.9 | -54.6 | 0 | 0 | 0 | 0 | 112.2 | A61 L62 I63 | A61-T65 WeakPolarHBondContact O-CB 3.31Å; A61-T65 PolarHBondContact O-N 3.45Å; A61-T65 PolarHBondContact O-OG1 2.9Å; L62-T65 PolarHBondContact O-N 3.14Å; I63-T65 VanDerWaalsContact C-N 3.28Å; I63-T65 PolarHBondContact O-N 3.44Å |
| 66 | Y | 84.9 | Confident | 82.7 | Confident | 152 Ų | 152 | 78.6 Ų | 78.6 | 60% | 0.596 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -78.7 | -33.3 | -179.9 | -172.8 | -107.1 | 0 | 0 | 0 | 112.7 | L62 I63 S68 Y93 | L62-Y66 VanDerWaalsContact O-CB 3.27Å; L62-Y66 WeakPolarHBondContact O-CB 3.29Å; L62-Y66 PolarHBondContact O-N 3.33Å; I63-Y66 PolarHBondContact O-N 3.42Å; Y66-S68 PolarHBondContact O-N 3.41Å; Y66-Y93 PolarHBondContact OH-OH 3.33Å |
| 67 | M | 85.3 | Confident | 82 | Confident | 119 Ų | 119 | 72.8 Ų | 72.8 | 59% | 0.586 | 42% | 0.423 | S | S | * | . | trans | -79.9 | 116 | -179.1 | -70.4 | -68.1 | -175.9 | 0 | 0 | 111 | I63 | I63-M67 HydrophobicContact CG2-CG 3.98Å; I63-M67 VanDerWaalsContact O-CB 3.32Å; I63-M67 WeakPolarHBondContact O-CB 3.38Å; I63-M67 VanDerWaalsContact O-CG 3.23Å; I63-M67 WeakPolarHBondContact O-CG 3.21Å; I63-M67 PolarHBondContact O-N 2.87Å | ||
| 68 | S | 83 | Confident | 81.5 | Confident | 36 Ų | 36 | 71.1 Ų | 71.1 | 25% | 0.252 | 41% | 0.409 | S | S | . | . | trans | -99.4 | 136.6 | 174.1 | 176.4 | 0 | 0 | 0 | 0 | 111.3 | Y66 V70 S71 V72 | Y66-S68 PolarHBondContact O-N 3.41Å; S68-V70 PolarHBondContact O-N 3.35Å; S68-V70 VanDerWaalsContact O-N 3.15Å; S68-V70 PolarHBondContact OG-N 3.26Å; S68-S71 WeakPolarHBondContact O-CB 3.44Å; S68-S71 PolarHBondContact O-N 3.02Å; S68-V72 PolarHBondContact O-N 3.08Å | ||
| 69 | A | 75.5 | Confident | 81.2 | Confident | 70 Ų | 70 | 71.3 Ų | 71.3 | 58% | 0.579 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -52.8 | -36.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | S71 V72 M73 | A69-S71 VanDerWaalsContact C-N 3.32Å; A69-S71 PolarHBondContact O-N 3.47Å; A69-V72 PolarHBondContact O-N 3.47Å; A69-M73 PolarHBondContact O-N 3.5Å |
| 70 | V | 71.7 | Confident | 80.4 | Confident | 30 Ų | 30 | 79.2 Ų | 79.2 | 18% | 0.182 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -65.9 | -35.8 | 179.6 | -165.9 | 0 | 0 | 0 | 0 | 111.3 | S68 G74 L147 L151 | S68-V70 PolarHBondContact O-N 3.35Å; S68-V70 VanDerWaalsContact O-N 3.15Å; S68-V70 PolarHBondContact OG-N 3.26Å; V70-G74 WeakPolarHBondContact O-CA 3.41Å; V70-G74 PolarHBondContact O-N 2.86Å; V70-L147 HydrophobicContact CB-CD2 3.65Å; V70-L147 HydrophobicContact CB-CG 4.12Å; V70-L147 HydrophobicContact CG1-CB 4.34Å; V70-L147 HydrophobicContact CG1-CD2 3.62Å; V70-L147 HydrophobicContact CG1-CG 3.5Å; V70-L147 VanDerWaalsContact CG1-CG 3.5Å; V70-L151 HydrophobicContact CG1-CB 4.27Å; V70-L151 HydrophobicContact CG1-CD2 4.3Å |
| 71 | S | 77.3 | Confident | 79.6 | Confident | 21 Ų | 21 | 79 Ų | 79 | 15% | 0.147 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -71.4 | -39.3 | 176.6 | -58.8 | 0 | 0 | 0 | 0 | 112 | S68 A69 M73 G74 Y75 | S68-S71 WeakPolarHBondContact O-CB 3.44Å; S68-S71 PolarHBondContact O-N 3.02Å; A69-S71 VanDerWaalsContact C-N 3.32Å; A69-S71 PolarHBondContact O-N 3.47Å; S71-M73 VanDerWaalsContact C-N 3.3Å; S71-M73 PolarHBondContact O-N 3.3Å; S71-G74 PolarHBondContact O-N 2.9Å; S71-Y75 WeakPolarHBondContact O-CD2 3.3Å; S71-Y75 PolarHBondContact O-N 3.28Å |
| 72 | V | 77.5 | Confident | 79 | Confident | 91 Ų | 91 | 83.2 Ų | 83.2 | 55% | 0.552 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -61.5 | -38.9 | 180 | 176.8 | 0 | 0 | 0 | 0 | 111.6 | S68 A69 P76 | S68-V72 PolarHBondContact O-N 3.08Å; A69-V72 PolarHBondContact O-N 3.47Å; V72-P76 WeakPolarHBondContact O-CD 3.39Å; V72-P76 WeakPolarHBondContact O-CG 3.4Å |
| 73 | M | 74.2 | Confident | 78.6 | Confident | 113 Ų | 113 | 79.2 Ų | 79.2 | 56% | 0.557 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -85.6 | -33.2 | 176 | -67.5 | -176.9 | -77.3 | 0 | 0 | 113.2 | A69 S71 L151 | A69-M73 PolarHBondContact O-N 3.5Å; S71-M73 VanDerWaalsContact C-N 3.3Å; S71-M73 PolarHBondContact O-N 3.3Å; M73-L151 HydrophobicContact CB-CD1 3.85Å |
| 74 | G | 74.4 | Confident | 78.1 | Confident | 8 Ų | 8 | 77.1 Ų | 77.1 | 8% | 0.082 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -68.7 | -43.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | V70 S71 S77 E78 | V70-G74 WeakPolarHBondContact O-CA 3.41Å; V70-G74 PolarHBondContact O-N 2.86Å; S71-G74 PolarHBondContact O-N 2.9Å; G74-S77 PolarHBondContact O-N 3.21Å; G74-E78 PolarHBondContact O-N 2.94Å |
| 75 | Y | 78.1 | Confident | 77.8 | Confident | 98 Ų | 98 | 80.4 Ų | 80.4 | 38% | 0.384 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -64.9 | -45.5 | -175.2 | -63.3 | -43 | 0 | 0 | 0 | 114.1 | S71 S77 E78 I79 M86 | S71-Y75 WeakPolarHBondContact O-CD2 3.3Å; S71-Y75 PolarHBondContact O-N 3.28Å; Y75-S77 VanDerWaalsContact C-N 3.34Å; Y75-S77 PolarHBondContact O-N 3.5Å; Y75-E78 PolarHBondContact O-N 3.43Å; Y75-I79 WeakPolarHBondContact O-CG1 3.21Å; Y75-I79 PolarHBondContact O-N 3.48Å; Y75-M86 HydrophobicContact CD1-CE 3.9Å; Y75-M86 HydrophobicContact CD1-SD 3.87Å; Y75-M86 HydrophobicContact CE1-CE 3.99Å; Y75-M86 HydrophobicContact CE1-SD 4.05Å |
| 76 | P | 75.2 | Confident | 77.4 | Confident | 61 Ų | 61 | 75.5 Ų | 75.5 | 40% | 0.396 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -58.9 | -46.6 | 175.7 | -25.1 | 35.2 | 0 | 0 | 0 | 111.6 | V72 E78 I79 Y80 | V72-P76 WeakPolarHBondContact O-CD 3.39Å; V72-P76 WeakPolarHBondContact O-CG 3.4Å; P76-E78 VanDerWaalsContact C-N 3.28Å; P76-E78 PolarHBondContact O-N 3.32Å; P76-I79 PolarHBondContact O-N 2.88Å; P76-Y80 HydrophobicContact CB-CE2 4.44Å; P76-Y80 WeakPolarHBondContact O-CD2 3.32Å; P76-Y80 PolarHBondContact O-N 2.89Å |
| 77 | S | 74.3 | Confident | 77.3 | Confident | 27 Ų | 27 | 72.9 Ų | 72.9 | 19% | 0.189 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -58 | -42.2 | 178.6 | -179.2 | 0 | 0 | 0 | 0 | 111.8 | G74 Y75 Y80 H81 G154 | G74-S77 PolarHBondContact O-N 3.21Å; Y75-S77 VanDerWaalsContact C-N 3.34Å; Y75-S77 PolarHBondContact O-N 3.5Å; S77-Y80 PolarHBondContact O-N 3.46Å; S77-H81 PolarHBondContact O-CD2 3.36Å; S77-H81 PolarHBondContact O-N 3.35Å; S77-G154 WeakPolarHBondContact OG-CA 3.43Å |
| 78 | E | 75 | Confident | 77.4 | Confident | 39 Ų | 39 | 75.2 Ų | 75.2 | 18% | 0.182 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -67.7 | -38.5 | 178.5 | -164.5 | 157.5 | 172.2 | 0 | 0 | 112.7 | G74 Y75 P76 H81 F82 M86 K150 | G74-E78 PolarHBondContact O-N 2.94Å; Y75-E78 PolarHBondContact O-N 3.43Å; P76-E78 VanDerWaalsContact C-N 3.28Å; P76-E78 PolarHBondContact O-N 3.32Å; E78-H81 PolarHBondContact O-N 3.35Å; E78-F82 HydrophobicContact CG-CD2 3.81Å; E78-F82 WeakPolarHBondContact O-CB 3.41Å; E78-F82 PolarHBondContact O-N 3.44Å; E78-M86 HydrophobicContact CB-CG 4.3Å; E78-M86 HydrophobicContact CG-CE 4.09Å; E78-M86 HydrophobicContact CG-CG 3.94Å; E78-M86 VanDerWaalsContact OE1-CE 3.26Å; E78-M86 WeakPolarHBondContact OE1-CE 3.24Å; E78-M86 WeakPolarHBondContact OE2-CE 3.15Å; E78-K150 IonicContact OE1-NZ 2.72Å; E78-K150 PolarHBondContact OE1-NZ 2.82Å; E78-K150 WeakPolarHBondContact OE2-CD 3.37Å; E78-K150 WeakPolarHBondContact OE2-CE 3.38Å; E78-K150 IonicContact OE2-NZ 2.73Å; E78-K150 PolarHBondContact OE2-NZ 3.38Å |
| 79 | I | 78.3 | Confident | 77.5 | Confident | 66 Ų | 66 | 79.8 Ų | 79.8 | 34% | 0.338 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -66.9 | -38.8 | 176.7 | -67.3 | 168 | 0 | 0 | 0 | 111.5 | Y75 P76 H81 G83 M86 | Y75-I79 WeakPolarHBondContact O-CG1 3.21Å; Y75-I79 PolarHBondContact O-N 3.48Å; P76-I79 PolarHBondContact O-N 2.88Å; I79-H81 VanDerWaalsContact C-N 3.33Å; I79-H81 PolarHBondContact O-N 3.25Å; I79-G83 WeakPolarHBondContact CA-O 3.05Å; I79-G83 CarbonylContact O-C 3.47Å; I79-G83 WeakPolarHBondContact O-CA 3.35Å; I79-G83 PolarHBondContact O-N 2.97Å; I79-G83 VanDerWaalsContact O-N 3.08Å; I79-M86 HydrophobicContact CD1-CB 4.44Å; I79-M86 HydrophobicContact CG1-CB 3.89Å |
| 80 | Y | 73.1 | Confident | 78.1 | Confident | 200 Ų | 200 | 82.1 Ų | 82.1 | 78% | 0.784 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -64.8 | -35.8 | 177.3 | -81.5 | -69.7 | 0 | 0 | 0 | 112.7 | P76 S77 | P76-Y80 HydrophobicContact CB-CE2 4.44Å; P76-Y80 WeakPolarHBondContact O-CD2 3.32Å; P76-Y80 PolarHBondContact O-N 2.89Å; S77-Y80 PolarHBondContact O-N 3.46Å |
| 81 | H | 72.1 | Confident | 79.1 | Confident | 79 Ų | 79 | 84.4 Ų | 84.4 | 37% | 0.366 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -95.3 | -43.7 | -175 | -67.5 | -57.4 | 0 | 0 | 0 | 114.6 | S77 E78 I79 Y157 | S77-H81 PolarHBondContact O-CD2 3.36Å; S77-H81 PolarHBondContact O-N 3.35Å; E78-H81 PolarHBondContact O-N 3.35Å; I79-H81 VanDerWaalsContact C-N 3.33Å; I79-H81 PolarHBondContact O-N 3.25Å; H81-Y157 VanDerWaalsContact CE1-CB 3.43Å; H81-Y157 WeakPolarHBondContact CE1-CB 3.16Å; H81-Y157 WeakPolarHBondContact NE2-CB 3.43Å |
| 82 | F | 75.8 | Confident | 79.8 | Confident | 144 Ų | 144 | 85.7 Ų | 85.7 | 63% | 0.632 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -99.4 | -0.7 | -177.3 | -62.6 | -84.3 | 0 | 0 | 0 | 112.8 | E78 | E78-F82 HydrophobicContact CG-CD2 3.81Å; E78-F82 WeakPolarHBondContact O-CB 3.41Å; E78-F82 PolarHBondContact O-N 3.44Å |
| 83 | G | 79.1 | Confident | 80.4 | Confident | 32 Ų | 32 | 84.8 Ų | 84.8 | 33% | 0.33 | 42% | 0.424 | S | S | . | . | trans | 78.3 | -168.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | I79 M85 | I79-G83 WeakPolarHBondContact CA-O 3.05Å; I79-G83 CarbonylContact O-C 3.47Å; I79-G83 WeakPolarHBondContact O-CA 3.35Å; I79-G83 PolarHBondContact O-N 2.97Å; I79-G83 VanDerWaalsContact O-N 3.08Å; G83-M85 PolarHBondContact O-N 2.86Å | ||
| 84 | G | 79.3 | Confident | 81.4 | Confident | 40 Ų | 40 | 85.2 Ų | 85.2 | 41% | 0.412 | 43% | 0.428 | S | S | . | . | G | 310 helix | trans | -71.6 | 12.7 | -173.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | M86 L87 | G84-M86 PolarHBondContact O-N 2.85Å; G84-L87 WeakPolarHBondContact O-CB 3.41Å; G84-L87 WeakPolarHBondContact O-CG 3.26Å; G84-L87 PolarHBondContact O-N 3.19Å |
| 85 | M | 81.9 | Confident | 82.3 | Confident | 139 Ų | 139 | 91.7 Ų | 91.7 | 69% | 0.685 | 45% | 0.454 | S | S | * | . | G | 310 helix | trans | -61 | -31.6 | -179.6 | -170.5 | 179.1 | -176.8 | 0 | 0 | 111.8 | G83 L87 Y88 | G83-M85 PolarHBondContact O-N 2.86Å; M85-L87 PolarHBondContact O-N 2.92Å; M85-L87 VanDerWaalsContact O-N 3.12Å; M85-Y88 HydrophobicContact CB-CD2 4.44Å; M85-Y88 HydrophobicContact CB-CE2 4.47Å; M85-Y88 HydrophobicContact CG-CD2 3.73Å; M85-Y88 HydrophobicContact CG-CE2 3.87Å; M85-Y88 WeakPolarHBondContact O-CB 3.38Å; M85-Y88 WeakPolarHBondContact O-CD2 3.3Å; M85-Y88 PolarHBondContact O-N 3.22Å; M85-Y88 VanDerWaalsContact O-N 3.09Å |
| 86 | M | 79.7 | Confident | 83.1 | Confident | 21 Ų | 21 | 90.2 Ų | 90.2 | 10% | 0.103 | 46% | 0.455 | C | S | . | . | G | 310 helix | trans | -58.8 | -21.7 | 172.3 | -92.6 | -77.4 | -173.2 | 0 | 0 | 113.5 | Y75 E78 I79 G84 Y88 Y89 | Y75-M86 HydrophobicContact CD1-CE 3.9Å; Y75-M86 HydrophobicContact CD1-SD 3.87Å; Y75-M86 HydrophobicContact CE1-CE 3.99Å; Y75-M86 HydrophobicContact CE1-SD 4.05Å; E78-M86 HydrophobicContact CB-CG 4.3Å; E78-M86 HydrophobicContact CG-CE 4.09Å; E78-M86 HydrophobicContact CG-CG 3.94Å; E78-M86 VanDerWaalsContact OE1-CE 3.26Å; E78-M86 WeakPolarHBondContact OE1-CE 3.24Å; E78-M86 WeakPolarHBondContact OE2-CE 3.15Å; I79-M86 HydrophobicContact CD1-CB 4.44Å; I79-M86 HydrophobicContact CG1-CB 3.89Å; G84-M86 PolarHBondContact O-N 2.85Å; M86-Y88 PolarHBondContact O-N 3.38Å; M86-Y89 HydrophobicContact CE-CE2 4.14Å; M86-Y89 WeakPolarHBondContact O-CB 3.27Å; M86-Y89 WeakPolarHBondContact O-CD2 3.32Å; M86-Y89 PolarHBondContact O-N 2.98Å; M86-Y89 VanDerWaalsContact O-N 3.08Å; M86-Y89 HydrophobicContact SD-CD2 3.44Å; M86-Y89 WeakPolarHBondContact SD-CD2 3.37Å; M86-Y89 HydrophobicContact SD-CE2 3.46Å; M86-Y89 WeakPolarHBondContact SD-CE2 3.28Å |
| 87 | L | 82.8 | Confident | 84 | Confident | 97 Ų | 97 | 93.5 Ų | 93.5 | 51% | 0.508 | 46% | 0.463 | S | S | . | . | G | 310 helix | trans | -66.6 | -16.6 | 176.6 | -59.9 | 173.8 | 0 | 0 | 0 | 112.8 | G84 M85 Y89 L90 V91 | G84-L87 WeakPolarHBondContact O-CB 3.41Å; G84-L87 WeakPolarHBondContact O-CG 3.26Å; G84-L87 PolarHBondContact O-N 3.19Å; M85-L87 PolarHBondContact O-N 2.92Å; M85-L87 VanDerWaalsContact O-N 3.12Å; L87-Y89 PolarHBondContact O-N 2.75Å; L87-L90 VanDerWaalsContact O-CB 3.25Å; L87-L90 WeakPolarHBondContact O-CB 3.27Å; L87-L90 PolarHBondContact O-N 2.84Å; L87-V91 PolarHBondContact O-N 3.44Å |
| 88 | Y | 86.7 | Confident | 85 | Confident | 168 Ų | 168 | 95 Ų | 95 | 66% | 0.659 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -60.9 | -27.4 | 170.9 | -68.7 | -63.5 | 0 | 0 | 0 | 112.3 | M85 M86 L90 V91 A92 | M85-Y88 HydrophobicContact CB-CD2 4.44Å; M85-Y88 HydrophobicContact CB-CE2 4.47Å; M85-Y88 HydrophobicContact CG-CD2 3.73Å; M85-Y88 HydrophobicContact CG-CE2 3.87Å; M85-Y88 WeakPolarHBondContact O-CB 3.38Å; M85-Y88 WeakPolarHBondContact O-CD2 3.3Å; M85-Y88 PolarHBondContact O-N 3.22Å; M85-Y88 VanDerWaalsContact O-N 3.09Å; M86-Y88 PolarHBondContact O-N 3.38Å; Y88-L90 VanDerWaalsContact C-N 3.29Å; Y88-L90 PolarHBondContact O-N 3.49Å; Y88-V91 PolarHBondContact O-N 2.84Å; Y88-A92 PolarHBondContact O-N 2.96Å; Y88-A92 VanDerWaalsContact O-N 3.08Å |
| 89 | Y | 86.2 | Confident | 85.9 | Confident | 132 Ų | 132 | 97.2 Ų | 97.2 | 52% | 0.518 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.7 | -34.3 | 171.9 | -72.1 | -78.1 | 0 | 0 | 0 | 112 | M86 L87 V91 A92 Y93 | M86-Y89 HydrophobicContact CE-CE2 4.14Å; M86-Y89 WeakPolarHBondContact O-CB 3.27Å; M86-Y89 WeakPolarHBondContact O-CD2 3.32Å; M86-Y89 PolarHBondContact O-N 2.98Å; M86-Y89 VanDerWaalsContact O-N 3.08Å; M86-Y89 HydrophobicContact SD-CD2 3.44Å; M86-Y89 WeakPolarHBondContact SD-CD2 3.37Å; M86-Y89 HydrophobicContact SD-CE2 3.46Å; M86-Y89 WeakPolarHBondContact SD-CE2 3.28Å; L87-Y89 PolarHBondContact O-N 2.75Å; Y89-V91 VanDerWaalsContact C-N 3.34Å; Y89-V91 PolarHBondContact O-N 2.81Å; Y89-A92 PolarHBondContact O-N 3.24Å; Y89-Y93 WeakPolarHBondContact O-CD2 3.23Å; Y89-Y93 PolarHBondContact O-N 3.45Å |
| 90 | L | 88.5 | Confident | 86.6 | Confident | 118 Ų | 118 | 97.3 Ų | 97.3 | 62% | 0.618 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -63.6 | -42.3 | 176.4 | -177.8 | 64.3 | 0 | 0 | 0 | 111.2 | L87 Y88 A92 Y93 L94 | L87-L90 VanDerWaalsContact O-CB 3.25Å; L87-L90 WeakPolarHBondContact O-CB 3.27Å; L87-L90 PolarHBondContact O-N 2.84Å; Y88-L90 VanDerWaalsContact C-N 3.29Å; Y88-L90 PolarHBondContact O-N 3.49Å; L90-A92 VanDerWaalsContact C-N 3.35Å; L90-Y93 PolarHBondContact O-N 3.08Å; L90-L94 PolarHBondContact O-N 3.31Å |
| 91 | V | 91 | Very high | 87.5 | Confident | 79 Ų | 79 | 90.1 Ų | 90.1 | 48% | 0.479 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.2 | -44.3 | 175.5 | -178.8 | 0 | 0 | 0 | 0 | 110.3 | L87 Y88 Y89 Y93 L94 F95 | L87-V91 PolarHBondContact O-N 3.44Å; Y88-V91 PolarHBondContact O-N 2.84Å; Y89-V91 VanDerWaalsContact C-N 3.34Å; Y89-V91 PolarHBondContact O-N 2.81Å; V91-Y93 PolarHBondContact O-N 3.2Å; V91-L94 WeakPolarHBondContact O-CB 3.37Å; V91-L94 PolarHBondContact O-N 2.89Å; V91-F95 HydrophobicContact CG1-CD2 4.35Å; V91-F95 HydrophobicContact CG1-CE2 3.85Å; V91-F95 WeakPolarHBondContact O-CD2 3.48Å |
| 92 | A | 92 | Very high | 88.5 | Confident | 48 Ų | 48 | 95.3 Ų | 95.3 | 40% | 0.397 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.5 | -44.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y88 Y89 L90 L94 F95 V96 | Y88-A92 PolarHBondContact O-N 2.96Å; Y88-A92 VanDerWaalsContact O-N 3.08Å; Y89-A92 PolarHBondContact O-N 3.24Å; L90-A92 VanDerWaalsContact C-N 3.35Å; A92-L94 VanDerWaalsContact C-N 3.28Å; A92-L94 PolarHBondContact O-N 3.47Å; A92-F95 PolarHBondContact O-N 3.22Å; A92-F95 VanDerWaalsContact O-N 3.12Å; A92-V96 VanDerWaalsContact O-CG2 3.31Å; A92-V96 WeakPolarHBondContact O-CG2 3.17Å; A92-V96 PolarHBondContact O-N 3.41Å |
| 93 | Y | 91.7 | Very high | 89.3 | Confident | 71 Ų | 71 | 92.1 Ų | 92.1 | 28% | 0.278 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.9 | -34.5 | 177.4 | -74.9 | -52.4 | 0 | 0 | 0 | 113.1 | Y66 Y89 L90 V91 F95 V96 F97 | Y66-Y93 PolarHBondContact OH-OH 3.33Å; Y89-Y93 WeakPolarHBondContact O-CD2 3.23Å; Y89-Y93 PolarHBondContact O-N 3.45Å; L90-Y93 PolarHBondContact O-N 3.08Å; V91-Y93 PolarHBondContact O-N 3.2Å; Y93-F95 PolarHBondContact O-N 2.87Å; Y93-V96 PolarHBondContact O-N 3.34Å; Y93-F97 HydrophobicContact CD1-CE2 4.34Å; Y93-F97 HydrophobicContact CD1-CZ 4.13Å; Y93-F97 HydrophobicContact CG-CE2 4.27Å; Y93-F97 HydrophobicContact CG-CZ 4.45Å; Y93-F97 WeakPolarHBondContact O-CD2 3.24Å; Y93-F97 WeakPolarHBondContact O-CG 3.32Å; Y93-F97 PolarHBondContact O-N 3.09Å |
| 94 | L | 94 | Very high | 89.8 | Confident | 122 Ų | 122 | 95.3 Ų | 95.3 | 64% | 0.639 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -59.6 | -31.6 | 175.7 | -173.7 | 63.5 | 0 | 0 | 0 | 112.6 | L90 V91 A92 P98 | L90-L94 PolarHBondContact O-N 3.31Å; V91-L94 WeakPolarHBondContact O-CB 3.37Å; V91-L94 PolarHBondContact O-N 2.89Å; A92-L94 VanDerWaalsContact C-N 3.28Å; A92-L94 PolarHBondContact O-N 3.47Å; L94-P98 WeakPolarHBondContact O-CD 3.18Å; L94-P98 WeakPolarHBondContact O-CG 3.42Å |
| 95 | F | 94.3 | Very high | 90.2 | Very high | 144 Ų | 144 | 98.2 Ų | 98.2 | 63% | 0.632 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -90.2 | -37.1 | 175.7 | -66 | -73.6 | 0 | 0 | 0 | 113 | V91 A92 Y93 P98 L99 | V91-F95 HydrophobicContact CG1-CD2 4.35Å; V91-F95 HydrophobicContact CG1-CE2 3.85Å; V91-F95 WeakPolarHBondContact O-CD2 3.48Å; A92-F95 PolarHBondContact O-N 3.22Å; A92-F95 VanDerWaalsContact O-N 3.12Å; Y93-F95 PolarHBondContact O-N 2.87Å; F95-P98 WeakPolarHBondContact O-CD 3.5Å; F95-L99 WeakPolarHBondContact O-CB 3.43Å; F95-L99 PolarHBondContact O-N 3.27Å |
| 96 | V | 94.5 | Very high | 90.5 | Very high | 68 Ų | 68 | 95 Ų | 95 | 41% | 0.412 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.9 | -40.8 | -178.6 | 171.8 | 0 | 0 | 0 | 0 | 111.5 | A92 Y93 L99 V100 | A92-V96 VanDerWaalsContact O-CG2 3.31Å; A92-V96 WeakPolarHBondContact O-CG2 3.17Å; A92-V96 PolarHBondContact O-N 3.41Å; Y93-V96 PolarHBondContact O-N 3.34Å; V96-L99 WeakPolarHBondContact O-CB 3.46Å; V96-L99 PolarHBondContact O-N 3.43Å; V96-V100 HydrophobicContact CG1-CG2 4.11Å; V96-V100 VanDerWaalsContact O-CG2 3.31Å; V96-V100 WeakPolarHBondContact O-CG2 3.25Å; V96-V100 PolarHBondContact O-N 3.3Å |
| 97 | F | 93.2 | Very high | 90.9 | Very high | 129 Ų | 129 | 97.2 Ų | 97.2 | 57% | 0.566 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.2 | -49.5 | -178.5 | -70.9 | -45.2 | 0 | 0 | 0 | 113.6 | Y93 L99 V100 A101 | Y93-F97 HydrophobicContact CD1-CE2 4.34Å; Y93-F97 HydrophobicContact CD1-CZ 4.13Å; Y93-F97 HydrophobicContact CG-CE2 4.27Å; Y93-F97 HydrophobicContact CG-CZ 4.45Å; Y93-F97 WeakPolarHBondContact O-CD2 3.24Å; Y93-F97 WeakPolarHBondContact O-CG 3.32Å; Y93-F97 PolarHBondContact O-N 3.09Å; F97-L99 VanDerWaalsContact C-N 3.31Å; F97-L99 PolarHBondContact O-N 2.97Å; F97-V100 PolarHBondContact O-N 3.41Å; F97-A101 WeakPolarHBondContact O-CB 3.46Å; F97-A101 PolarHBondContact O-N 3.14Å |
| 98 | P | 95.6 | Very high | 90.9 | Very high | 58 Ų | 58 | 95.1 Ų | 95.1 | 38% | 0.377 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.4 | -40.9 | 172.9 | -25.2 | 34.6 | 0 | 0 | 0 | 112.7 | L94 F95 V100 A101 Y102 | L94-P98 WeakPolarHBondContact O-CD 3.18Å; L94-P98 WeakPolarHBondContact O-CG 3.42Å; F95-P98 WeakPolarHBondContact O-CD 3.5Å; P98-V100 VanDerWaalsContact C-N 3.34Å; P98-V100 PolarHBondContact O-N 3.42Å; P98-A101 PolarHBondContact O-N 2.89Å; P98-Y102 HydrophobicContact CB-CD2 4.12Å; P98-Y102 HydrophobicContact CB-CE2 4.35Å; P98-Y102 WeakPolarHBondContact O-CB 3.38Å; P98-Y102 WeakPolarHBondContact O-CD2 3.27Å; P98-Y102 PolarHBondContact O-N 2.92Å |
| 99 | L | 94.8 | Very high | 90.7 | Very high | 87 Ų | 87 | 94 Ų | 94 | 46% | 0.455 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.5 | -46.2 | 177.3 | -176.5 | 73 | 0 | 0 | 0 | 111.1 | F95 V96 F97 V103 F104 | F95-L99 WeakPolarHBondContact O-CB 3.43Å; F95-L99 PolarHBondContact O-N 3.27Å; V96-L99 WeakPolarHBondContact O-CB 3.46Å; V96-L99 PolarHBondContact O-N 3.43Å; F97-L99 VanDerWaalsContact C-N 3.31Å; F97-L99 PolarHBondContact O-N 2.97Å; L99-V103 HydrophobicContact CD1-CB 4.26Å; L99-V103 HydrophobicContact CD1-CG2 3.84Å; L99-V103 WeakPolarHBondContact O-CA 2.91Å; L99-V103 VanDerWaalsContact O-CB 3.23Å; L99-V103 WeakPolarHBondContact O-CB 3.36Å; L99-V103 PolarHBondContact O-N 3.24Å; L99-F104 HydrophobicContact CD2-CE2 3.92Å; L99-F104 HydrophobicContact CG-CD2 4.25Å; L99-F104 HydrophobicContact CG-CE2 3.89Å; L99-F104 PolarHBondContact O-N 3.4Å |
| 100 | V | 92.3 | Very high | 90.5 | Very high | 67 Ų | 67 | 92 Ų | 92 | 41% | 0.406 | 49% | 0.487 | S | S | . | . | I | π-helix | trans | -63.3 | -45.4 | 176.5 | 174.4 | 0 | 0 | 0 | 0 | 111.2 | V96 F97 P98 F104 L105 | V96-V100 HydrophobicContact CG1-CG2 4.11Å; V96-V100 VanDerWaalsContact O-CG2 3.31Å; V96-V100 WeakPolarHBondContact O-CG2 3.25Å; V96-V100 PolarHBondContact O-N 3.3Å; F97-V100 PolarHBondContact O-N 3.41Å; P98-V100 VanDerWaalsContact C-N 3.34Å; P98-V100 PolarHBondContact O-N 3.42Å; V100-F104 HydrophobicContact CG2-CD2 4.26Å; V100-F104 PolarHBondContact O-N 2.8Å; V100-L105 WeakPolarHBondContact O-CB 3.42Å; V100-L105 PolarHBondContact O-N 3.12Å |
| 101 | A | 92.1 | Very high | 90.1 | Very high | 49 Ų | 49 | 90 Ų | 90 | 41% | 0.405 | 48% | 0.476 | S | S | . | . | I | π-helix | trans | -67.1 | -41.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | F97 P98 L105 P106 | F97-A101 WeakPolarHBondContact O-CB 3.46Å; F97-A101 PolarHBondContact O-N 3.14Å; P98-A101 PolarHBondContact O-N 2.89Å; A101-L105 WeakPolarHBondContact O-CB 3.21Å; A101-P106 WeakPolarHBondContact O-CD 3.26Å |
| 102 | Y | 93.9 | Very high | 89.4 | Confident | 188 Ų | 188 | 92.9 Ų | 92.9 | 74% | 0.737 | 48% | 0.483 | S | S | * | . | I | π-helix | trans | -100.3 | -17 | -172.4 | -66.2 | -66.8 | 0 | 0 | 0 | 114.7 | P98 P106 | P98-Y102 HydrophobicContact CB-CD2 4.12Å; P98-Y102 HydrophobicContact CB-CE2 4.35Å; P98-Y102 WeakPolarHBondContact O-CB 3.38Å; P98-Y102 WeakPolarHBondContact O-CD2 3.27Å; P98-Y102 PolarHBondContact O-N 2.92Å; Y102-P106 WeakPolarHBondContact O-CG 3.38Å |
| 103 | V | 92.3 | Very high | 88.7 | Confident | 78 Ų | 78 | 92.1 Ų | 92.1 | 47% | 0.473 | 47% | 0.472 | S | S | . | . | I | π-helix | trans | -114.5 | -53.8 | -178.9 | -175.4 | 0 | 0 | 0 | 0 | 111.2 | L99 P106 V107 | L99-V103 HydrophobicContact CD1-CB 4.26Å; L99-V103 HydrophobicContact CD1-CG2 3.84Å; L99-V103 WeakPolarHBondContact O-CA 2.91Å; L99-V103 VanDerWaalsContact O-CB 3.23Å; L99-V103 WeakPolarHBondContact O-CB 3.36Å; L99-V103 PolarHBondContact O-N 3.24Å; V103-P106 WeakPolarHBondContact O-CG 3.24Å; V103-V107 WeakPolarHBondContact O-CG2 3.46Å |
| 104 | F | 88.7 | Confident | 88.2 | Confident | 98 Ų | 98 | 92.7 Ų | 92.7 | 43% | 0.43 | 48% | 0.482 | S | S | . | . | I | π-helix | trans | -77.2 | -43.7 | -174.7 | -70.1 | -82.7 | 0 | 0 | 0 | 112.8 | L99 V100 V107 M108 | L99-F104 HydrophobicContact CD2-CE2 3.92Å; L99-F104 HydrophobicContact CG-CD2 4.25Å; L99-F104 HydrophobicContact CG-CE2 3.89Å; L99-F104 PolarHBondContact O-N 3.4Å; V100-F104 HydrophobicContact CG2-CD2 4.26Å; V100-F104 PolarHBondContact O-N 2.8Å; F104-V107 PolarHBondContact O-N 2.98Å; F104-M108 HydrophobicContact CB-CE 4.49Å; F104-M108 HydrophobicContact CD1-CE 4.29Å; F104-M108 WeakPolarHBondContact O-CG 3.2Å; F104-M108 PolarHBondContact O-N 2.91Å |
| 105 | L | 87.9 | Confident | 87.8 | Confident | 102 Ų | 102 | 89.3 Ų | 89.3 | 53% | 0.534 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.6 | -46.1 | -178.9 | -165.3 | 65.4 | 0 | 0 | 0 | 113.8 | V100 A101 V107 M108 H109 | V100-L105 WeakPolarHBondContact O-CB 3.42Å; V100-L105 PolarHBondContact O-N 3.12Å; A101-L105 WeakPolarHBondContact O-CB 3.21Å; L105-V107 PolarHBondContact O-N 2.89Å; L105-M108 PolarHBondContact O-N 2.97Å; L105-H109 VanDerWaalsContact O-CB 3.26Å; L105-H109 WeakPolarHBondContact O-CB 3.01Å; L105-H109 PolarHBondContact O-N 3.25Å |
| 106 | P | 88.5 | Confident | 87.5 | Confident | 72 Ų | 72 | 86.1 Ų | 86.1 | 47% | 0.468 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -66.2 | -23.2 | 178.1 | 24.3 | -33.6 | 0 | 0 | 0 | 113.4 | A101 Y102 V103 P110 | A101-P106 WeakPolarHBondContact O-CD 3.26Å; Y102-P106 WeakPolarHBondContact O-CG 3.38Å; V103-P106 WeakPolarHBondContact O-CG 3.24Å; P106-P110 WeakPolarHBondContact O-CD 3.44Å; P106-P110 WeakPolarHBondContact O-CG 3.32Å |
| 107 | V | 87.2 | Confident | 87.2 | Confident | 66 Ų | 66 | 86.4 Ų | 86.4 | 40% | 0.4 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -76.8 | -40.3 | 173.7 | 173.8 | 0 | 0 | 0 | 0 | 111.1 | V103 F104 L105 L111 Y119 | V103-V107 WeakPolarHBondContact O-CG2 3.46Å; F104-V107 PolarHBondContact O-N 2.98Å; L105-V107 PolarHBondContact O-N 2.89Å; V107-L111 WeakPolarHBondContact O-CD1 3.37Å; V107-Y119 HydrophobicContact CG1-CE2 4.06Å |
| 108 | M | 84 | Confident | 86.9 | Confident | 53 Ų | 53 | 83.7 Ų | 83.7 | 26% | 0.261 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -82.9 | -34.9 | -175.7 | -66 | -173.3 | -168.2 | 0 | 0 | 114 | F104 L105 L111 K112 V116 | F104-M108 HydrophobicContact CB-CE 4.49Å; F104-M108 HydrophobicContact CD1-CE 4.29Å; F104-M108 WeakPolarHBondContact O-CG 3.2Å; F104-M108 PolarHBondContact O-N 2.91Å; L105-M108 PolarHBondContact O-N 2.97Å; M108-L111 PolarHBondContact O-N 2.77Å; M108-K112 PolarHBondContact O-N 3.4Å; M108-V116 HydrophobicContact CE-CB 4.32Å; M108-V116 HydrophobicContact CE-CG1 3.71Å; M108-V116 HydrophobicContact CE-CG2 3.83Å; M108-V116 HydrophobicContact SD-CG2 3.86Å |
| 109 | H | 81.9 | Confident | 86.5 | Confident | 144 Ų | 144 | 84.3 Ų | 84.3 | 67% | 0.667 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -48.3 | -177 | -174.5 | -96.1 | 0 | 0 | 0 | 114.5 | L105 L111 K112 | L105-H109 VanDerWaalsContact O-CB 3.26Å; L105-H109 WeakPolarHBondContact O-CB 3.01Å; L105-H109 PolarHBondContact O-N 3.25Å; H109-L111 VanDerWaalsContact C-N 3.28Å; H109-L111 PolarHBondContact O-N 3.24Å; H109-K112 PolarHBondContact O-N 2.97Å |
| 110 | P | 81.5 | Confident | 86.2 | Confident | 91 Ų | 91 | 82.2 Ų | 82.2 | 59% | 0.591 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -26.9 | -179.2 | 26.8 | -34.7 | 0 | 0 | 0 | 113.1 | P106 K112 | P106-P110 WeakPolarHBondContact O-CD 3.44Å; P106-P110 WeakPolarHBondContact O-CG 3.32Å; P110-K112 VanDerWaalsContact C-N 3.3Å; P110-K112 PolarHBondContact O-N 3.35Å |
| 111 | L | 80.2 | Confident | 86.1 | Confident | 76 Ų | 76 | 81.5 Ų | 81.5 | 40% | 0.398 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -14.7 | -178.3 | -63.1 | 170.7 | 0 | 0 | 0 | 112.9 | V107 M108 H109 L113 Y119 M122 | V107-L111 WeakPolarHBondContact O-CD1 3.37Å; M108-L111 PolarHBondContact O-N 2.77Å; H109-L111 VanDerWaalsContact C-N 3.28Å; H109-L111 PolarHBondContact O-N 3.24Å; L111-L113 HydrophobicContact CB-CD1 3.84Å; L111-L113 HydrophobicContact CB-CD2 4.17Å; L111-L113 HydrophobicContact CB-CG 3.63Å; L111-L113 HydrophobicContact CD1-CD1 4.04Å; L111-L113 PolarHBondContact O-N 3.15Å; L111-L113 VanDerWaalsContact O-N 3.12Å; L111-Y119 HydrophobicContact CD1-CD2 3.63Å; L111-Y119 HydrophobicContact CD1-CE2 3.81Å; L111-M122 HydrophobicContact CD1-CE 4.25Å |
| 112 | K | 76.4 | Confident | 85.9 | Confident | 140 Ų | 140 | 84 Ų | 84 | 61% | 0.609 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.9 | 43.2 | 179.1 | -62.6 | -176.6 | 178.3 | 179.3 | 0 | 113.3 | M108 H109 P110 | M108-K112 PolarHBondContact O-N 3.4Å; H109-K112 PolarHBondContact O-N 2.97Å; P110-K112 VanDerWaalsContact C-N 3.3Å; P110-K112 PolarHBondContact O-N 3.35Å |
| 113 | L | 78.5 | Confident | 85.6 | Confident | 32 Ų | 32 | 83.4 Ų | 83.4 | 17% | 0.168 | 42% | 0.422 | C | S | . | . | trans | -78.8 | 150 | -179 | -56.7 | 172.5 | 0 | 0 | 0 | 110.6 | L111 E118 Y119 M122 | L111-L113 HydrophobicContact CB-CD1 3.84Å; L111-L113 HydrophobicContact CB-CD2 4.17Å; L111-L113 HydrophobicContact CB-CG 3.63Å; L111-L113 HydrophobicContact CD1-CD1 4.04Å; L111-L113 PolarHBondContact O-N 3.15Å; L111-L113 VanDerWaalsContact O-N 3.12Å; L113-E118 HydrophobicContact CB-CB 4.48Å; L113-E118 HydrophobicContact CD2-CB 4.45Å; L113-E118 HydrophobicContact CD2-CG 4.01Å; L113-Y119 HydrophobicContact CD1-CD2 4.17Å; L113-Y119 HydrophobicContact CD1-CG 4.34Å; L113-M122 HydrophobicContact CD1-CE 3.43Å; L113-M122 VanDerWaalsContact CD1-CE 3.43Å; L113-M122 HydrophobicContact CD2-CE 3.35Å; L113-M122 HydrophobicContact CD2-SD 4Å; L113-M122 HydrophobicContact CG-CE 3.97Å | ||
| 114 | T | 80.7 | Confident | 85.4 | Confident | 82 Ų | 82 | 86 Ų | 86 | 50% | 0.503 | 43% | 0.427 | S | S | . | . | S | Bend | trans | -84.6 | -24.6 | 179.8 | -45.9 | 0 | 0 | 0 | 0 | 111 | L47 E118 | L47-T114 HydrophobicContact CD1-CG2 4.42Å; T114-E118 PolarHBondContact N-OE2 3.43Å; T114-E118 VanDerWaalsContact N-OE2 3.09Å |
| 115 | S | 85.2 | Confident | 85.4 | Confident | 52 Ų | 52 | 84.9 Ų | 84.9 | 36% | 0.364 | 43% | 0.426 | S | S | . | . | trans | -147.7 | 152.4 | 179.6 | 69.7 | 0 | 0 | 0 | 0 | 112.3 | Y117 E118 | S115-Y117 PolarHBondContact O-N 3.32Å; S115-E118 VanDerWaalsContact O-CB 3.28Å; S115-E118 WeakPolarHBondContact O-CB 3.42Å; S115-E118 PolarHBondContact O-N 3.19Å; S115-E118 VanDerWaalsContact O-N 3.11Å; S115-E118 PolarHBondContact OG-N 3.05Å | ||
| 116 | V | 87.5 | Confident | 85.6 | Confident | 77 Ų | 77 | 86.5 Ų | 86.5 | 47% | 0.467 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -60.8 | -30.4 | 173.1 | -177.3 | 0 | 0 | 0 | 0 | 111.7 | M108 E118 Y119 L120 | M108-V116 HydrophobicContact CE-CB 4.32Å; M108-V116 HydrophobicContact CE-CG1 3.71Å; M108-V116 HydrophobicContact CE-CG2 3.83Å; M108-V116 HydrophobicContact SD-CG2 3.86Å; V116-E118 VanDerWaalsContact C-N 3.27Å; V116-E118 PolarHBondContact O-N 3.42Å; V116-Y119 WeakPolarHBondContact O-CB 3.11Å; V116-Y119 PolarHBondContact O-N 2.97Å; V116-Y119 VanDerWaalsContact O-N 3.16Å; V116-L120 PolarHBondContact O-N 3.24Å |
| 117 | Y | 89 | Confident | 85.7 | Confident | 73 Ų | 73 | 87.5 Ų | 87.5 | 29% | 0.286 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -64.5 | -31 | 176.6 | -60.9 | -65.4 | 0 | 0 | 0 | 112.8 | S115 Y119 L120 Q121 R129 A132 A133 F136 | S115-Y117 PolarHBondContact O-N 3.32Å; Y117-Y119 VanDerWaalsContact C-N 3.33Å; Y117-L120 HydrophobicContact CD1-CD1 4.36Å; Y117-L120 PolarHBondContact O-N 2.73Å; Y117-Q121 PolarHBondContact O-N 3.3Å; Y117-R129 WeakPolarHBondContact O-CG 2.91Å; Y117-A132 HydrophobicContact CD1-CB 4.22Å; Y117-A132 HydrophobicContact CE1-CB 4.15Å; Y117-A133 HydrophobicContact CD1-CB 4.42Å; Y117-A133 HydrophobicContact CE1-CB 4.3Å; Y117-F136 VanDerWaalsContact OH-CB 3.26Å; Y117-F136 WeakPolarHBondContact OH-CB 3.43Å; Y117-F136 WeakPolarHBondContact OH-CD1 3.29Å; Y117-F136 WeakPolarHBondContact OH-CG 3.32Å |
| 118 | E | 86.7 | Confident | 85.9 | Confident | 72 Ų | 72 | 86.7 Ų | 86.7 | 34% | 0.336 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -65.3 | -39.2 | 174.3 | -164.2 | 175.8 | -177.9 | 0 | 0 | 111.1 | L113 T114 S115 V116 L120 Q121 M122 | L113-E118 HydrophobicContact CB-CB 4.48Å; L113-E118 HydrophobicContact CD2-CB 4.45Å; L113-E118 HydrophobicContact CD2-CG 4.01Å; T114-E118 PolarHBondContact N-OE2 3.43Å; T114-E118 VanDerWaalsContact N-OE2 3.09Å; S115-E118 VanDerWaalsContact O-CB 3.28Å; S115-E118 WeakPolarHBondContact O-CB 3.42Å; S115-E118 PolarHBondContact O-N 3.19Å; S115-E118 VanDerWaalsContact O-N 3.11Å; S115-E118 PolarHBondContact OG-N 3.05Å; V116-E118 VanDerWaalsContact C-N 3.27Å; V116-E118 PolarHBondContact O-N 3.42Å; E118-L120 PolarHBondContact O-N 3.34Å; E118-Q121 WeakPolarHBondContact O-CB 3.12Å; E118-Q121 PolarHBondContact O-N 3.38Å; E118-M122 WeakPolarHBondContact O-CG 3.4Å; E118-M122 PolarHBondContact O-N 3.21Å |
| 119 | Y | 88.3 | Confident | 86.3 | Confident | 72 Ų | 72 | 88.5 Ų | 88.5 | 28% | 0.282 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -60.7 | -45.4 | 173.3 | 179 | -108.6 | 0 | 0 | 0 | 111.7 | V107 L111 L113 V116 Y117 Q121 M122 R123 | V107-Y119 HydrophobicContact CG1-CE2 4.06Å; L111-Y119 HydrophobicContact CD1-CD2 3.63Å; L111-Y119 HydrophobicContact CD1-CE2 3.81Å; L113-Y119 HydrophobicContact CD1-CD2 4.17Å; L113-Y119 HydrophobicContact CD1-CG 4.34Å; V116-Y119 WeakPolarHBondContact O-CB 3.11Å; V116-Y119 PolarHBondContact O-N 2.97Å; V116-Y119 VanDerWaalsContact O-N 3.16Å; Y117-Y119 VanDerWaalsContact C-N 3.33Å; Y119-Q121 VanDerWaalsContact C-N 3.27Å; Y119-Q121 PolarHBondContact O-N 3.15Å; Y119-M122 HydrophobicContact CD2-CE 4.37Å; Y119-M122 PolarHBondContact O-N 3.44Å; Y119-R123 WeakPolarHBondContact O-CB 3.43Å; Y119-R123 PolarHBondContact O-N 2.95Å |
| 120 | L | 87.3 | Confident | 86.8 | Confident | 42 Ų | 42 | 87.3 Ų | 87.3 | 22% | 0.22 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -60.4 | -38 | 176.6 | -70.1 | 175.7 | 0 | 0 | 0 | 112.1 | V116 Y117 E118 F124 A132 | V116-L120 PolarHBondContact O-N 3.24Å; Y117-L120 HydrophobicContact CD1-CD1 4.36Å; Y117-L120 PolarHBondContact O-N 2.73Å; E118-L120 PolarHBondContact O-N 3.34Å; L120-F124 HydrophobicContact CD2-CD2 4.25Å; L120-F124 HydrophobicContact CD2-CE2 4.19Å; L120-F124 WeakPolarHBondContact O-CB 3.24Å; L120-F124 PolarHBondContact O-N 3.24Å; L120-A132 HydrophobicContact CD1-CB 3.74Å |
| 121 | Q | 90.1 | Very high | 87.4 | Confident | 52 Ų | 52 | 88.1 Ų | 88.1 | 24% | 0.243 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -65.9 | -43.3 | 175.7 | -178 | -176.2 | -36.4 | 0 | 0 | 112.7 | Y117 E118 Y119 F124 N125 K126 R129 | Y117-Q121 PolarHBondContact O-N 3.3Å; E118-Q121 WeakPolarHBondContact O-CB 3.12Å; E118-Q121 PolarHBondContact O-N 3.38Å; Y119-Q121 VanDerWaalsContact C-N 3.27Å; Y119-Q121 PolarHBondContact O-N 3.15Å; Q121-F124 CarbonylContact O-C 3.55Å; Q121-N125 WeakPolarHBondContact CA-O 3.48Å; Q121-N125 WeakPolarHBondContact O-CA 3.31Å; Q121-N125 PolarHBondContact O-N 3.23Å; Q121-K126 HydrophobicContact CG-CG 3.83Å; Q121-R129 HydrophobicContact CB-CB 4.07Å; Q121-R129 HydrophobicContact CB-CG 4.39Å; Q121-R129 VanDerWaalsContact OE1-CD 3.26Å; Q121-R129 VanDerWaalsContact OE1-CZ 3.3Å |
| 122 | M | 87.5 | Confident | 88 | Confident | 103 Ų | 103 | 85.7 Ų | 85.7 | 51% | 0.507 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -68.8 | -39 | 180 | -68.9 | -169.4 | -54.4 | 0 | 0 | 112.1 | L111 L113 E118 Y119 | L111-M122 HydrophobicContact CD1-CE 4.25Å; L113-M122 HydrophobicContact CD1-CE 3.43Å; L113-M122 VanDerWaalsContact CD1-CE 3.43Å; L113-M122 HydrophobicContact CD2-CE 3.35Å; L113-M122 HydrophobicContact CD2-SD 4Å; L113-M122 HydrophobicContact CG-CE 3.97Å; E118-M122 WeakPolarHBondContact O-CG 3.4Å; E118-M122 PolarHBondContact O-N 3.21Å; Y119-M122 HydrophobicContact CD2-CE 4.37Å; Y119-M122 PolarHBondContact O-N 3.44Å |
| 123 | R | 87.5 | Confident | 88.8 | Confident | 175 Ų | 175 | 80.6 Ų | 80.6 | 66% | 0.66 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -77.4 | -36.9 | -178.7 | 180 | 56.9 | -179.9 | 168.9 | -0.4 | 112.8 | Y119 | Y119-R123 WeakPolarHBondContact O-CB 3.43Å; Y119-R123 PolarHBondContact O-N 2.95Å |
| 124 | F | 88.2 | Confident | 89.6 | Confident | 133 Ų | 133 | 85.9 Ų | 85.9 | 58% | 0.583 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.9 | -95.1 | -180 | -59.2 | -80.4 | 0 | 0 | 0 | 109.7 | L120 Q121 V128 | L120-F124 HydrophobicContact CD2-CD2 4.25Å; L120-F124 HydrophobicContact CD2-CE2 4.19Å; L120-F124 WeakPolarHBondContact O-CB 3.24Å; L120-F124 PolarHBondContact O-N 3.24Å; Q121-F124 CarbonylContact O-C 3.55Å; F124-V128 HydrophobicContact CB-CB 3.98Å; F124-V128 HydrophobicContact CB-CG1 4.27Å; F124-V128 HydrophobicContact CB-CG2 3.84Å; F124-V128 HydrophobicContact CD2-CG1 4.17Å; F124-V128 HydrophobicContact CG-CG1 4.38Å; F124-V128 HydrophobicContact CG-CG2 4.36Å |
| 125 | N | 90.2 | Very high | 90.2 | Very high | 74 Ų | 74 | 86.3 Ų | 86.3 | 40% | 0.396 | 42% | 0.421 | S | S | . | . | trans | -164.6 | 177.1 | 179.8 | 61.5 | 13.8 | 0 | 0 | 0 | 111.1 | Q121 T127 V128 R129 | Q121-N125 WeakPolarHBondContact CA-O 3.48Å; Q121-N125 WeakPolarHBondContact O-CA 3.31Å; Q121-N125 PolarHBondContact O-N 3.23Å; N125-T127 PolarHBondContact O-N 3.12Å; N125-T127 WeakPolarHBondContact OD1-CB 3.46Å; N125-T127 PolarHBondContact OD1-N 2.85Å; N125-V128 PolarHBondContact O-N 3.45Å; N125-V128 WeakPolarHBondContact OD1-CG2 3.14Å; N125-V128 PolarHBondContact OD1-N 3.08Å; N125-R129 PolarHBondContact O-N 3.27Å | ||
| 126 | K | 90.9 | Very high | 90.6 | Very high | 135 Ų | 135 | 89.2 Ų | 89.2 | 59% | 0.587 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -61.5 | -29.9 | 176.5 | -66.5 | -178.4 | -177.4 | 178.3 | 0 | 113.1 | Q121 R129 Q130 | Q121-K126 HydrophobicContact CG-CG 3.83Å; K126-R129 WeakPolarHBondContact O-CB 3.42Å; K126-R129 PolarHBondContact O-N 3.42Å; K126-Q130 WeakPolarHBondContact O-CG 3.37Å; K126-Q130 PolarHBondContact O-N 3Å |
| 127 | T | 91.7 | Very high | 90.9 | Very high | 93 Ų | 93 | 88.9 Ų | 88.9 | 57% | 0.571 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -66.8 | -47.2 | 179.8 | -48.8 | 0 | 0 | 0 | 0 | 111.7 | N125 R129 Q130 L131 | N125-T127 PolarHBondContact O-N 3.12Å; N125-T127 WeakPolarHBondContact OD1-CB 3.46Å; N125-T127 PolarHBondContact OD1-N 2.85Å; T127-R129 VanDerWaalsContact C-N 3.28Å; T127-R129 PolarHBondContact O-N 3.47Å; T127-Q130 PolarHBondContact O-N 2.86Å; T127-L131 WeakPolarHBondContact O-CB 3.47Å; T127-L131 PolarHBondContact O-N 3.41Å |
| 128 | V | 91 | Very high | 91.2 | Very high | 50 Ų | 50 | 91.4 Ų | 91.4 | 30% | 0.303 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62 | -38.9 | 176 | 174.2 | 0 | 0 | 0 | 0 | 110.7 | F124 N125 Q130 L131 A132 | F124-V128 HydrophobicContact CB-CB 3.98Å; F124-V128 HydrophobicContact CB-CG1 4.27Å; F124-V128 HydrophobicContact CB-CG2 3.84Å; F124-V128 HydrophobicContact CD2-CG1 4.17Å; F124-V128 HydrophobicContact CG-CG1 4.38Å; F124-V128 HydrophobicContact CG-CG2 4.36Å; N125-V128 PolarHBondContact O-N 3.45Å; N125-V128 WeakPolarHBondContact OD1-CG2 3.14Å; N125-V128 PolarHBondContact OD1-N 3.08Å; V128-Q130 PolarHBondContact O-N 2.72Å; V128-L131 PolarHBondContact O-N 2.73Å; V128-A132 VanDerWaalsContact O-CB 3.29Å; V128-A132 WeakPolarHBondContact O-CB 3.06Å; V128-A132 PolarHBondContact O-N 2.97Å |
| 129 | R | 91.6 | Very high | 91.4 | Very high | 90 Ų | 90 | 92.5 Ų | 92.5 | 34% | 0.34 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -56.7 | -51.4 | 173.4 | -173.9 | -170 | 73.9 | 174.6 | 12.9 | 111.8 | Y117 Q121 N125 K126 T127 A132 A133 | Y117-R129 WeakPolarHBondContact O-CG 2.91Å; Q121-R129 HydrophobicContact CB-CB 4.07Å; Q121-R129 HydrophobicContact CB-CG 4.39Å; Q121-R129 VanDerWaalsContact OE1-CD 3.26Å; Q121-R129 VanDerWaalsContact OE1-CZ 3.3Å; N125-R129 PolarHBondContact O-N 3.27Å; K126-R129 WeakPolarHBondContact O-CB 3.42Å; K126-R129 PolarHBondContact O-N 3.42Å; T127-R129 VanDerWaalsContact C-N 3.28Å; T127-R129 PolarHBondContact O-N 3.47Å; R129-A132 PolarHBondContact O-N 3.45Å; R129-A133 WeakPolarHBondContact O-CB 3.26Å; R129-A133 PolarHBondContact O-N 3.18Å |
| 130 | Q | 92.4 | Very high | 91.5 | Very high | 120 Ų | 120 | 91.5 Ų | 91.5 | 56% | 0.561 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -65.2 | -42 | -178.2 | -74.1 | 174 | -31.7 | 0 | 0 | 111.7 | K126 T127 V128 A133 F134 | K126-Q130 WeakPolarHBondContact O-CG 3.37Å; K126-Q130 PolarHBondContact O-N 3Å; T127-Q130 PolarHBondContact O-N 2.86Å; V128-Q130 PolarHBondContact O-N 2.72Å; Q130-A133 PolarHBondContact O-N 2.92Å; Q130-F134 VanDerWaalsContact O-CB 3.3Å; Q130-F134 WeakPolarHBondContact O-CB 3.47Å; Q130-F134 PolarHBondContact O-N 3.31Å |
| 131 | L | 93.9 | Very high | 91.7 | Very high | 107 Ų | 107 | 94.6 Ų | 94.6 | 56% | 0.56 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -62.5 | -46.9 | 176.7 | -169.9 | 79.6 | 0 | 0 | 0 | 111.4 | T127 V128 A133 F134 I135 | T127-L131 WeakPolarHBondContact O-CB 3.47Å; T127-L131 PolarHBondContact O-N 3.41Å; V128-L131 PolarHBondContact O-N 2.73Å; L131-A133 PolarHBondContact O-N 3.32Å; L131-F134 PolarHBondContact O-N 3.27Å; L131-I135 HydrophobicContact CD2-CD1 4.31Å; L131-I135 HydrophobicContact CG-CD1 3.97Å; L131-I135 VanDerWaalsContact O-CG1 3.28Å; L131-I135 WeakPolarHBondContact O-CG1 3.45Å; L131-I135 PolarHBondContact O-N 3.02Å |
| 132 | A | 92.8 | Very high | 91.6 | Very high | 26 Ų | 26 | 100.4 Ų | 100.4 | 22% | 0.215 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -62.4 | -44.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y117 L120 V128 R129 F134 I135 F136 | Y117-A132 HydrophobicContact CD1-CB 4.22Å; Y117-A132 HydrophobicContact CE1-CB 4.15Å; L120-A132 HydrophobicContact CD1-CB 3.74Å; V128-A132 VanDerWaalsContact O-CB 3.29Å; V128-A132 WeakPolarHBondContact O-CB 3.06Å; V128-A132 PolarHBondContact O-N 2.97Å; R129-A132 PolarHBondContact O-N 3.45Å; A132-F134 VanDerWaalsContact C-N 3.32Å; A132-F134 PolarHBondContact O-N 3.4Å; A132-I135 PolarHBondContact O-N 3.16Å; A132-F136 WeakPolarHBondContact O-CB 3.5Å; A132-F136 PolarHBondContact O-N 3.33Å |
| 133 | A | 93.7 | Very high | 91.6 | Very high | 33 Ų | 33 | 99 Ų | 99 | 27% | 0.273 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.4 | -41.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y117 R129 Q130 L131 F136 C137 | Y117-A133 HydrophobicContact CD1-CB 4.42Å; Y117-A133 HydrophobicContact CE1-CB 4.3Å; R129-A133 WeakPolarHBondContact O-CB 3.26Å; R129-A133 PolarHBondContact O-N 3.18Å; Q130-A133 PolarHBondContact O-N 2.92Å; L131-A133 PolarHBondContact O-N 3.32Å; A133-F136 PolarHBondContact O-N 2.88Å; A133-C137 PolarHBondContact O-N 3.13Å; A133-C137 PolarHBondContact O-SG 2.89Å |
| 134 | F | 95.3 | Very high | 91.5 | Very high | 143 Ų | 143 | 97.2 Ų | 97.2 | 63% | 0.627 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -65.9 | -44.6 | 178.1 | -173.1 | -97.8 | 0 | 0 | 0 | 112.5 | Q130 L131 A132 F136 C137 F138 | Q130-F134 VanDerWaalsContact O-CB 3.3Å; Q130-F134 WeakPolarHBondContact O-CB 3.47Å; Q130-F134 PolarHBondContact O-N 3.31Å; L131-F134 PolarHBondContact O-N 3.27Å; A132-F134 VanDerWaalsContact C-N 3.32Å; A132-F134 PolarHBondContact O-N 3.4Å; F134-F136 VanDerWaalsContact C-N 3.29Å; F134-F136 PolarHBondContact O-N 3.15Å; F134-C137 PolarHBondContact O-N 2.95Å; F134-F138 WeakPolarHBondContact O-CB 3.49Å; F134-F138 PolarHBondContact O-N 3.42Å |
| 135 | I | 94.4 | Very high | 91.3 | Very high | 90 Ų | 90 | 94.6 Ų | 94.6 | 46% | 0.462 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -59.1 | -44 | 174.3 | -68.7 | 165.4 | 0 | 0 | 0 | 110 | L131 A132 F138 Q139 | L131-I135 HydrophobicContact CD2-CD1 4.31Å; L131-I135 HydrophobicContact CG-CD1 3.97Å; L131-I135 VanDerWaalsContact O-CG1 3.28Å; L131-I135 WeakPolarHBondContact O-CG1 3.45Å; L131-I135 PolarHBondContact O-N 3.02Å; A132-I135 PolarHBondContact O-N 3.16Å; I135-F138 PolarHBondContact O-N 3.45Å; I135-Q139 HydrophobicContact CG2-CG 4.3Å; I135-Q139 WeakPolarHBondContact O-CB 3.22Å; I135-Q139 WeakPolarHBondContact O-CG 3.29Å; I135-Q139 PolarHBondContact O-N 2.92Å |
| 136 | F | 92.7 | Very high | 90.9 | Very high | 113 Ų | 113 | 96.8 Ų | 96.8 | 50% | 0.496 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.9 | -46.9 | 176.7 | 177.9 | -101.4 | 0 | 0 | 0 | 112 | Y117 A132 A133 F134 F138 Q139 V140 | Y117-F136 VanDerWaalsContact OH-CB 3.26Å; Y117-F136 WeakPolarHBondContact OH-CB 3.43Å; Y117-F136 WeakPolarHBondContact OH-CD1 3.29Å; Y117-F136 WeakPolarHBondContact OH-CG 3.32Å; A132-F136 WeakPolarHBondContact O-CB 3.5Å; A132-F136 PolarHBondContact O-N 3.33Å; A133-F136 PolarHBondContact O-N 2.88Å; F134-F136 VanDerWaalsContact C-N 3.29Å; F134-F136 PolarHBondContact O-N 3.15Å; F136-F138 VanDerWaalsContact C-N 3.32Å; F136-F138 PolarHBondContact O-N 2.89Å; F136-Q139 WeakPolarHBondContact O-CB 3.41Å; F136-Q139 PolarHBondContact O-N 3.37Å; F136-V140 HydrophobicContact CD1-CG2 4.23Å; F136-V140 HydrophobicContact CD2-CG2 4.41Å; F136-V140 HydrophobicContact CE1-CG2 3.77Å; F136-V140 HydrophobicContact CE2-CG2 3.97Å; F136-V140 HydrophobicContact CZ-CG2 3.63Å; F136-V140 WeakPolarHBondContact O-CG2 2.88Å; F136-V140 PolarHBondContact O-N 3.37Å |
| 137 | C | 94.1 | Very high | 90.3 | Very high | 71 Ų | 71 | 92 Ų | 92 | 48% | 0.48 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -57.8 | -45.7 | 175.4 | -70.7 | 0 | 0 | 0 | 0 | 111.6 | A133 F134 Q139 V140 V141 | A133-C137 PolarHBondContact O-N 3.13Å; A133-C137 PolarHBondContact O-SG 2.89Å; F134-C137 PolarHBondContact O-N 2.95Å; C137-Q139 VanDerWaalsContact C-N 3.34Å; C137-Q139 PolarHBondContact O-N 3.46Å; C137-V140 PolarHBondContact O-N 2.94Å; C137-V141 WeakPolarHBondContact O-CB 3.44Å; C137-V141 VanDerWaalsContact O-CG2 3.26Å; C137-V141 WeakPolarHBondContact O-CG2 3.28Å; C137-V141 PolarHBondContact O-N 3Å |
| 138 | F | 94.8 | Very high | 89.6 | Confident | 126 Ų | 126 | 90.2 Ų | 90.2 | 55% | 0.553 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -61.7 | -42.8 | 177.5 | -175.9 | -98.8 | 0 | 0 | 0 | 112.1 | F134 I135 F136 V141 R142 | F134-F138 WeakPolarHBondContact O-CB 3.49Å; F134-F138 PolarHBondContact O-N 3.42Å; I135-F138 PolarHBondContact O-N 3.45Å; F136-F138 VanDerWaalsContact C-N 3.32Å; F136-F138 PolarHBondContact O-N 2.89Å; F138-V141 PolarHBondContact O-N 3.23Å; F138-R142 WeakPolarHBondContact O-CB 3.17Å; F138-R142 PolarHBondContact O-N 3.07Å |
| 139 | Q | 91.9 | Very high | 89 | Confident | 95 Ų | 95 | 90.7 Ų | 90.7 | 44% | 0.444 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -60.3 | -49.8 | 174.9 | -71.5 | -78.3 | 64.1 | 0 | 0 | 110.9 | I135 F136 C137 V141 R142 T143 | I135-Q139 HydrophobicContact CG2-CG 4.3Å; I135-Q139 WeakPolarHBondContact O-CB 3.22Å; I135-Q139 WeakPolarHBondContact O-CG 3.29Å; I135-Q139 PolarHBondContact O-N 2.92Å; F136-Q139 WeakPolarHBondContact O-CB 3.41Å; F136-Q139 PolarHBondContact O-N 3.37Å; C137-Q139 VanDerWaalsContact C-N 3.34Å; C137-Q139 PolarHBondContact O-N 3.46Å; Q139-V141 VanDerWaalsContact C-N 3.35Å; Q139-V141 PolarHBondContact O-N 3.47Å; Q139-R142 PolarHBondContact O-N 2.93Å; Q139-R142 VanDerWaalsContact O-N 3.15Å; Q139-T143 VanDerWaalsContact O-CB 3.29Å; Q139-T143 WeakPolarHBondContact O-CB 3.4Å; Q139-T143 PolarHBondContact O-N 3.46Å; Q139-T143 PolarHBondContact O-OG1 3.4Å |
| 140 | V | 90.4 | Very high | 88 | Confident | 51 Ų | 51 | 88.9 Ų | 88.9 | 31% | 0.309 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -58.8 | -46.2 | 178.4 | 172.3 | 0 | 0 | 0 | 0 | 111.4 | F136 C137 R142 T143 Y144 | F136-V140 HydrophobicContact CD1-CG2 4.23Å; F136-V140 HydrophobicContact CD2-CG2 4.41Å; F136-V140 HydrophobicContact CE1-CG2 3.77Å; F136-V140 HydrophobicContact CE2-CG2 3.97Å; F136-V140 HydrophobicContact CZ-CG2 3.63Å; F136-V140 WeakPolarHBondContact O-CG2 2.88Å; F136-V140 PolarHBondContact O-N 3.37Å; C137-V140 PolarHBondContact O-N 2.94Å; V140-R142 VanDerWaalsContact C-N 3.28Å; V140-R142 PolarHBondContact O-N 2.82Å; V140-T143 PolarHBondContact O-N 3.34Å; V140-Y144 HydrophobicContact CG1-CD2 3.77Å; V140-Y144 HydrophobicContact CG1-CE2 4Å; V140-Y144 PolarHBondContact O-N 3.47Å |
| 141 | V | 91.6 | Very high | 87.2 | Confident | 106 Ų | 106 | 85.9 Ų | 85.9 | 64% | 0.642 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -61.6 | -35.6 | 178.6 | 170 | 0 | 0 | 0 | 0 | 111.8 | C137 F138 Q139 P145 | C137-V141 WeakPolarHBondContact O-CB 3.44Å; C137-V141 VanDerWaalsContact O-CG2 3.26Å; C137-V141 WeakPolarHBondContact O-CG2 3.28Å; C137-V141 PolarHBondContact O-N 3Å; F138-V141 PolarHBondContact O-N 3.23Å; Q139-V141 VanDerWaalsContact C-N 3.35Å; Q139-V141 PolarHBondContact O-N 3.47Å; V141-P145 WeakPolarHBondContact O-CD 3.48Å; V141-P145 VanDerWaalsContact O-CG 3.32Å; V141-P145 WeakPolarHBondContact O-CG 3.34Å |
| 142 | R | 88.1 | Confident | 86.2 | Confident | 175 Ų | 175 | 86.4 Ų | 86.4 | 66% | 0.66 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -76.8 | -39.6 | 175.1 | 177.5 | -176.3 | 151.3 | 159 | -3.7 | 112.5 | F138 Q139 V140 | F138-R142 WeakPolarHBondContact O-CB 3.17Å; F138-R142 PolarHBondContact O-N 3.07Å; Q139-R142 PolarHBondContact O-N 2.93Å; Q139-R142 VanDerWaalsContact O-N 3.15Å; V140-R142 VanDerWaalsContact C-N 3.28Å; V140-R142 PolarHBondContact O-N 2.82Å |
| 143 | T | 86 | Confident | 85.2 | Confident | 74 Ų | 74 | 87 Ų | 87 | 45% | 0.454 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -72.2 | -37.9 | -174.1 | -62 | 0 | 0 | 0 | 0 | 111.9 | Q139 V140 F146 L147 | Q139-T143 VanDerWaalsContact O-CB 3.29Å; Q139-T143 WeakPolarHBondContact O-CB 3.4Å; Q139-T143 PolarHBondContact O-N 3.46Å; Q139-T143 PolarHBondContact O-OG1 3.4Å; V140-T143 PolarHBondContact O-N 3.34Å; T143-F146 PolarHBondContact O-N 2.87Å; T143-L147 WeakPolarHBondContact O-CB 2.97Å; T143-L147 PolarHBondContact O-N 2.96Å |
| 144 | Y | 85 | Confident | 84.1 | Confident | 137 Ų | 137 | 85.7 Ų | 85.7 | 54% | 0.537 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -59.3 | -54.2 | -179 | -105.8 | -94.3 | 0 | 0 | 0 | 113.2 | V140 F146 L147 T148 | V140-Y144 HydrophobicContact CG1-CD2 3.77Å; V140-Y144 HydrophobicContact CG1-CE2 4Å; V140-Y144 PolarHBondContact O-N 3.47Å; Y144-F146 VanDerWaalsContact C-N 3.27Å; Y144-F146 PolarHBondContact O-N 3.34Å; Y144-L147 PolarHBondContact O-N 2.85Å; Y144-L147 VanDerWaalsContact O-N 3.16Å; Y144-T148 PolarHBondContact O-N 2.76Å; Y144-T148 PolarHBondContact O-OG1 3.23Å |
| 145 | P | 83.9 | Confident | 83 | Confident | 78 Ų | 78 | 84.8 Ų | 84.8 | 51% | 0.506 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -60.9 | -35.5 | 177.2 | -24.6 | 34.9 | 0 | 0 | 0 | 113.2 | V141 T148 S149 | V141-P145 WeakPolarHBondContact O-CD 3.48Å; V141-P145 VanDerWaalsContact O-CG 3.32Å; V141-P145 WeakPolarHBondContact O-CG 3.34Å; P145-T148 PolarHBondContact O-N 3.34Å; P145-S149 PolarHBondContact O-N 3.41Å; P145-S149 PolarHBondContact O-OG 3.48Å |
| 146 | F | 82.8 | Confident | 82 | Confident | 119 Ų | 119 | 84.4 Ų | 84.4 | 52% | 0.522 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -65.2 | -39.7 | 176 | 177.7 | -101.8 | 0 | 0 | 0 | 112.2 | T143 Y144 S149 K150 | T143-F146 PolarHBondContact O-N 2.87Å; Y144-F146 VanDerWaalsContact C-N 3.27Å; Y144-F146 PolarHBondContact O-N 3.34Å; F146-S149 PolarHBondContact O-OG 2.85Å; F146-K150 HydrophobicContact CD1-CD 4.42Å; F146-K150 HydrophobicContact CE1-CD 3.92Å; F146-K150 HydrophobicContact CZ-CD 4.27Å; F146-K150 VanDerWaalsContact CZ-CE 3.42Å; F146-K150 WeakPolarHBondContact O-CG 3.44Å; F146-K150 PolarHBondContact O-N 3.37Å; F146-K150 VanDerWaalsContact O-N 3.13Å |
| 147 | L | 77.5 | Confident | 80.8 | Confident | 36 Ų | 36 | 83.6 Ų | 83.6 | 19% | 0.188 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -70.7 | -37.8 | 176.1 | -167.1 | 67.6 | 0 | 0 | 0 | 111.2 | V70 T143 Y144 K150 L151 | V70-L147 HydrophobicContact CB-CD2 3.65Å; V70-L147 HydrophobicContact CB-CG 4.12Å; V70-L147 HydrophobicContact CG1-CB 4.34Å; V70-L147 HydrophobicContact CG1-CD2 3.62Å; V70-L147 HydrophobicContact CG1-CG 3.5Å; V70-L147 VanDerWaalsContact CG1-CG 3.5Å; T143-L147 WeakPolarHBondContact O-CB 2.97Å; T143-L147 PolarHBondContact O-N 2.96Å; Y144-L147 PolarHBondContact O-N 2.85Å; Y144-L147 VanDerWaalsContact O-N 3.16Å; L147-K150 WeakPolarHBondContact O-CB 3.45Å; L147-K150 PolarHBondContact O-N 2.99Å; L147-L151 PolarHBondContact O-N 3.17Å |
| 148 | T | 78.2 | Confident | 79.5 | Confident | 54 Ų | 54 | 86 Ų | 86 | 33% | 0.331 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -64.1 | -41.6 | 173.9 | -61.1 | 0 | 0 | 0 | 0 | 111.8 | Y144 P145 K150 L151 H152 | Y144-T148 PolarHBondContact O-N 2.76Å; Y144-T148 PolarHBondContact O-OG1 3.23Å; P145-T148 PolarHBondContact O-N 3.34Å; T148-K150 VanDerWaalsContact C-N 3.32Å; T148-K150 PolarHBondContact O-N 3.45Å; T148-L151 WeakPolarHBondContact O-CB 2.83Å; T148-L151 PolarHBondContact O-N 2.98Å; T148-L151 VanDerWaalsContact O-N 3.17Å; T148-H152 WeakPolarHBondContact CG2-CE1 2.91Å; T148-H152 PolarHBondContact O-N 2.86Å; T148-H152 PolarHBondContact O-ND1 3.37Å |
| 149 | S | 76.9 | Confident | 78.2 | Confident | 61 Ų | 61 | 83.3 Ų | 83.3 | 43% | 0.427 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -65.9 | -35.4 | 176.7 | 66.5 | 0 | 0 | 0 | 0 | 112 | P145 F146 H152 A153 | P145-S149 PolarHBondContact O-N 3.41Å; P145-S149 PolarHBondContact O-OG 3.48Å; F146-S149 PolarHBondContact O-OG 2.85Å; S149-H152 PolarHBondContact O-N 3.04Å; S149-A153 WeakPolarHBondContact O-CB 3.49Å; S149-A153 PolarHBondContact O-N 2.88Å |
| 150 | K | 72.4 | Confident | 77.1 | Confident | 51 Ų | 51 | 82.3 Ų | 82.3 | 22% | 0.222 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -61.3 | -41.6 | 169.4 | -76.6 | -175.8 | 162.1 | -157.6 | 0 | 112.7 | E78 F146 L147 T148 A153 G154 | E78-K150 IonicContact OE1-NZ 2.72Å; E78-K150 PolarHBondContact OE1-NZ 2.82Å; E78-K150 WeakPolarHBondContact OE2-CD 3.37Å; E78-K150 WeakPolarHBondContact OE2-CE 3.38Å; E78-K150 IonicContact OE2-NZ 2.73Å; E78-K150 PolarHBondContact OE2-NZ 3.38Å; F146-K150 HydrophobicContact CD1-CD 4.42Å; F146-K150 HydrophobicContact CE1-CD 3.92Å; F146-K150 HydrophobicContact CZ-CD 4.27Å; F146-K150 VanDerWaalsContact CZ-CE 3.42Å; F146-K150 WeakPolarHBondContact O-CG 3.44Å; F146-K150 PolarHBondContact O-N 3.37Å; F146-K150 VanDerWaalsContact O-N 3.13Å; L147-K150 WeakPolarHBondContact O-CB 3.45Å; L147-K150 PolarHBondContact O-N 2.99Å; T148-K150 VanDerWaalsContact C-N 3.32Å; T148-K150 PolarHBondContact O-N 3.45Å; K150-A153 PolarHBondContact O-N 3.19Å; K150-G154 PolarHBondContact O-N 2.9Å |
| 151 | L | 75.7 | Confident | 75.9 | Confident | 57 Ų | 57 | 85 Ų | 85 | 30% | 0.298 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -63.1 | -43.1 | 175.6 | -173.4 | 72 | 0 | 0 | 0 | 111.4 | V70 M73 L147 T148 G154 F155 | V70-L151 HydrophobicContact CG1-CB 4.27Å; V70-L151 HydrophobicContact CG1-CD2 4.3Å; M73-L151 HydrophobicContact CB-CD1 3.85Å; L147-L151 PolarHBondContact O-N 3.17Å; T148-L151 WeakPolarHBondContact O-CB 2.83Å; T148-L151 PolarHBondContact O-N 2.98Å; T148-L151 VanDerWaalsContact O-N 3.17Å; L151-G154 PolarHBondContact O-N 3.47Å; L151-F155 WeakPolarHBondContact O-CB 3.43Å; L151-F155 PolarHBondContact O-N 3.29Å |
| 152 | H | 72.9 | Confident | 74.8 | Confident | 118 Ų | 118 | 84.7 Ų | 84.7 | 55% | 0.546 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -63.3 | -45.6 | 175.7 | -73.6 | 88.9 | 0 | 0 | 0 | 111.6 | T148 S149 G154 F155 V156 | T148-H152 WeakPolarHBondContact CG2-CE1 2.91Å; T148-H152 PolarHBondContact O-N 2.86Å; T148-H152 PolarHBondContact O-ND1 3.37Å; S149-H152 PolarHBondContact O-N 3.04Å; H152-G154 VanDerWaalsContact C-N 3.32Å; H152-G154 PolarHBondContact O-N 2.76Å; H152-F155 PolarHBondContact O-N 3.24Å; H152-V156 VanDerWaalsContact O-CG2 3.29Å; H152-V156 WeakPolarHBondContact O-CG2 3.38Å; H152-V156 PolarHBondContact O-N 2.86Å |
| 153 | A | 70.6 | Confident | 73.7 | Confident | 38 Ų | 38 | 83.3 Ų | 83.3 | 31% | 0.314 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -58.8 | -46.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | S149 K150 F155 V156 Y157 | S149-A153 WeakPolarHBondContact O-CB 3.49Å; S149-A153 PolarHBondContact O-N 2.88Å; K150-A153 PolarHBondContact O-N 3.19Å; A153-F155 VanDerWaalsContact C-N 3.33Å; A153-F155 PolarHBondContact O-N 2.93Å; A153-V156 PolarHBondContact O-N 3.25Å; A153-Y157 VanDerWaalsContact C-CD2 3.45Å; A153-Y157 HydrophobicContact CB-CD2 4.26Å; A153-Y157 HydrophobicContact CB-CE2 3.89Å; A153-Y157 WeakPolarHBondContact O-CB 3.39Å; A153-Y157 WeakPolarHBondContact O-CD2 3.33Å; A153-Y157 VanDerWaalsContact O-CG 3.3Å; A153-Y157 PolarHBondContact O-N 3.34Å |
| 154 | G | 71.6 | Confident | 72.8 | Confident | 7 Ų | 7 | 86.9 Ų | 86.9 | 7% | 0.072 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -59 | -40.4 | 176 | 0 | 0 | 0 | 0 | 0 | 113.7 | S77 K150 L151 H152 F158 | S77-G154 WeakPolarHBondContact OG-CA 3.43Å; K150-G154 PolarHBondContact O-N 2.9Å; L151-G154 PolarHBondContact O-N 3.47Å; H152-G154 VanDerWaalsContact C-N 3.32Å; H152-G154 PolarHBondContact O-N 2.76Å; G154-F158 WeakPolarHBondContact O-CB 3.29Å; G154-F158 PolarHBondContact O-N 2.88Å |
| 155 | F | 71.5 | Confident | 71.6 | Confident | 123 Ų | 123 | 83.4 Ų | 83.4 | 54% | 0.539 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -67.4 | -43.6 | 174.8 | -162.8 | -101.2 | 0 | 0 | 0 | 111.8 | L151 H152 A153 F158 N159 | L151-F155 WeakPolarHBondContact O-CB 3.43Å; L151-F155 PolarHBondContact O-N 3.29Å; H152-F155 PolarHBondContact O-N 3.24Å; A153-F155 VanDerWaalsContact C-N 3.33Å; A153-F155 PolarHBondContact O-N 2.93Å; F155-F158 PolarHBondContact O-N 3.43Å; F155-N159 WeakPolarHBondContact CD1-ND2 3Å; F155-N159 WeakPolarHBondContact CE1-ND2 3.31Å; F155-N159 PolarHBondContact O-N 3.49Å; F155-N159 PolarHBondContact O-ND2 2.85Å |
| 156 | V | 72.7 | Confident | 70.2 | Confident | 82 Ų | 82 | 90 Ų | 90 | 50% | 0.497 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -60.2 | -47.2 | 175.5 | 170.1 | 0 | 0 | 0 | 0 | 110.2 | H152 A153 F158 N159 L160 | H152-V156 VanDerWaalsContact O-CG2 3.29Å; H152-V156 WeakPolarHBondContact O-CG2 3.38Å; H152-V156 PolarHBondContact O-N 2.86Å; A153-V156 PolarHBondContact O-N 3.25Å; V156-F158 PolarHBondContact O-N 3.32Å; V156-N159 PolarHBondContact O-N 3.49Å; V156-L160 HydrophobicContact CG1-CD1 3.97Å; V156-L160 HydrophobicContact CG1-CG 4.4Å; V156-L160 VanDerWaalsContact O-CG 3.31Å; V156-L160 WeakPolarHBondContact O-CG 3.47Å; V156-L160 PolarHBondContact O-N 2.81Å |
| 157 | Y | 67.3 | Low | 69.6 | Low | 97 Ų | 97 | 88.6 Ų | 88.6 | 38% | 0.38 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -65.1 | -37.9 | 178.5 | -66.2 | -56.4 | 0 | 0 | 0 | 112.6 | H81 A153 L160 F161 | H81-Y157 VanDerWaalsContact CE1-CB 3.43Å; H81-Y157 WeakPolarHBondContact CE1-CB 3.16Å; H81-Y157 WeakPolarHBondContact NE2-CB 3.43Å; A153-Y157 VanDerWaalsContact C-CD2 3.45Å; A153-Y157 HydrophobicContact CB-CD2 4.26Å; A153-Y157 HydrophobicContact CB-CE2 3.89Å; A153-Y157 WeakPolarHBondContact O-CB 3.39Å; A153-Y157 WeakPolarHBondContact O-CD2 3.33Å; A153-Y157 VanDerWaalsContact O-CG 3.3Å; A153-Y157 PolarHBondContact O-N 3.34Å; Y157-L160 HydrophobicContact CD1-CD1 4.38Å; Y157-L160 PolarHBondContact O-N 3.41Å; Y157-F161 WeakPolarHBondContact O-CB 3.48Å; Y157-F161 PolarHBondContact O-N 3.37Å |
| 158 | F | 67.6 | Low | 69.2 | Low | 121 Ų | 121 | 91.3 Ų | 91.3 | 53% | 0.531 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.5 | -41.8 | 173.3 | -178 | -99.5 | 0 | 0 | 0 | 112.2 | G154 F155 V156 F161 V162 | G154-F158 WeakPolarHBondContact O-CB 3.29Å; G154-F158 PolarHBondContact O-N 2.88Å; F155-F158 PolarHBondContact O-N 3.43Å; V156-F158 PolarHBondContact O-N 3.32Å; F158-F161 WeakPolarHBondContact O-CB 3.49Å; F158-F161 PolarHBondContact O-N 2.9Å; F158-V162 HydrophobicContact CD1-CG2 4.36Å; F158-V162 HydrophobicContact CE1-CG2 3.95Å; F158-V162 HydrophobicContact CE2-CG2 4.5Å; F158-V162 HydrophobicContact CZ-CG2 4.02Å; F158-V162 WeakPolarHBondContact O-CG2 3.1Å; F158-V162 PolarHBondContact O-N 3.35Å |
| 159 | N | 67.8 | Low | 68.7 | Low | 70 Ų | 70 | 93.4 Ų | 93.4 | 37% | 0.374 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.5 | -40.5 | 175.7 | -79.1 | -84.3 | 0 | 0 | 0 | 111.8 | F155 V156 F161 V162 Q163 | F155-N159 WeakPolarHBondContact CD1-ND2 3Å; F155-N159 WeakPolarHBondContact CE1-ND2 3.31Å; F155-N159 PolarHBondContact O-N 3.49Å; F155-N159 PolarHBondContact O-ND2 2.85Å; V156-N159 PolarHBondContact O-N 3.49Å; N159-F161 VanDerWaalsContact C-N 3.3Å; N159-F161 PolarHBondContact O-N 3.05Å; N159-V162 PolarHBondContact O-N 3.46Å; N159-Q163 WeakPolarHBondContact O-CB 3.15Å; N159-Q163 PolarHBondContact O-N 3.17Å |
| 160 | L | 68.7 | Low | 68.2 | Low | 73 Ų | 73 | 95.3 Ų | 95.3 | 38% | 0.382 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.4 | -40.8 | 173.4 | -71.1 | 171.6 | 0 | 0 | 0 | 110.8 | V156 Y157 Q163 Y164 | V156-L160 HydrophobicContact CG1-CD1 3.97Å; V156-L160 HydrophobicContact CG1-CG 4.4Å; V156-L160 VanDerWaalsContact O-CG 3.31Å; V156-L160 WeakPolarHBondContact O-CG 3.47Å; V156-L160 PolarHBondContact O-N 2.81Å; Y157-L160 HydrophobicContact CD1-CD1 4.38Å; Y157-L160 PolarHBondContact O-N 3.41Å; L160-Q163 PolarHBondContact O-N 2.98Å; L160-Y164 HydrophobicContact CB-CD2 4.32Å; L160-Y164 HydrophobicContact CD2-CD2 3.94Å; L160-Y164 HydrophobicContact CD2-CE2 3.58Å; L160-Y164 VanDerWaalsContact O-CB 3.32Å; L160-Y164 WeakPolarHBondContact O-CB 3.32Å; L160-Y164 VanDerWaalsContact O-CD2 3.28Å; L160-Y164 WeakPolarHBondContact O-CD2 3.27Å; L160-Y164 PolarHBondContact O-N 2.88Å |
| 161 | F | 64.9 | Low | 67.9 | Low | 108 Ų | 108 | 98.1 Ų | 98.1 | 47% | 0.474 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.1 | -47.3 | 175.4 | 179 | -95.4 | 0 | 0 | 0 | 112 | Y157 F158 N159 Q163 Y164 G165 F166 | Y157-F161 WeakPolarHBondContact O-CB 3.48Å; Y157-F161 PolarHBondContact O-N 3.37Å; F158-F161 WeakPolarHBondContact O-CB 3.49Å; F158-F161 PolarHBondContact O-N 2.9Å; N159-F161 VanDerWaalsContact C-N 3.3Å; N159-F161 PolarHBondContact O-N 3.05Å; F161-Q163 VanDerWaalsContact C-N 3.33Å; F161-Q163 PolarHBondContact O-N 3.4Å; F161-Y164 PolarHBondContact O-N 3.31Å; F161-G165 PolarHBondContact O-N 2.97Å; F161-F166 WeakPolarHBondContact CE2-O 3.28Å; F161-F166 WeakPolarHBondContact CZ-O 3.24Å |
| 162 | V | 68.5 | Low | 67.4 | Low | 99 Ų | 99 | 100.8 Ų | 100.8 | 60% | 0.6 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.4 | -35.9 | 176.8 | 173.7 | 0 | 0 | 0 | 0 | 112.1 | F158 N159 | F158-V162 HydrophobicContact CD1-CG2 4.36Å; F158-V162 HydrophobicContact CE1-CG2 3.95Å; F158-V162 HydrophobicContact CE2-CG2 4.5Å; F158-V162 HydrophobicContact CZ-CG2 4.02Å; F158-V162 WeakPolarHBondContact O-CG2 3.1Å; F158-V162 PolarHBondContact O-N 3.35Å; N159-V162 PolarHBondContact O-N 3.46Å |
| 163 | Q | 66.1 | Low | 67 | Low | 147 Ų | 147 | 99.6 Ų | 99.6 | 69% | 0.687 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -75.8 | -40.5 | 177.3 | -95.1 | -144.1 | -46.1 | 0 | 0 | 113.9 | N159 L160 F161 | N159-Q163 WeakPolarHBondContact O-CB 3.15Å; N159-Q163 PolarHBondContact O-N 3.17Å; L160-Q163 PolarHBondContact O-N 2.98Å; F161-Q163 VanDerWaalsContact C-N 3.33Å; F161-Q163 PolarHBondContact O-N 3.4Å |
| 164 | Y | 67 | Low | 66.8 | Low | 149 Ų | 149 | 104.3 Ų | 104.3 | 58% | 0.584 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -98.4 | -6.3 | -171.5 | -70.5 | -77.4 | 0 | 0 | 0 | 113.9 | L160 F161 F166 | L160-Y164 HydrophobicContact CB-CD2 4.32Å; L160-Y164 HydrophobicContact CD2-CD2 3.94Å; L160-Y164 HydrophobicContact CD2-CE2 3.58Å; L160-Y164 VanDerWaalsContact O-CB 3.32Å; L160-Y164 WeakPolarHBondContact O-CB 3.32Å; L160-Y164 VanDerWaalsContact O-CD2 3.28Å; L160-Y164 WeakPolarHBondContact O-CD2 3.27Å; L160-Y164 PolarHBondContact O-N 2.88Å; F161-Y164 PolarHBondContact O-N 3.31Å; Y164-F166 PolarHBondContact O-N 3.38Å |
| 165 | G | 59 | Low | 66.4 | Low | 64 Ų | 64 | 112.4 Ų | 112.4 | 66% | 0.66 | 56% | 0.555 | S | S | * | * | trans | 59.8 | 43.7 | 163.1 | 0 | 0 | 0 | 0 | 0 | 115 | F161 | F161-G165 PolarHBondContact O-N 2.97Š| ||
| 166 | F | 55.3 | Low | 65.9 | Low | 216 Ų | 216 | 111.5 Ų | 111.5 | 95% | 0.947 | 56% | 0.556 | S | S | * | * | trans | -86.4 | 0 | 165.8 | -66.7 | -70.2 | 0 | 0 | 0 | 111.7 | F161 Y164 | F161-F166 WeakPolarHBondContact CE2-O 3.28Å; F161-F166 WeakPolarHBondContact CZ-O 3.24Å; Y164-F166 PolarHBondContact O-N 3.38Å |
Retrieved 166 of 166 residues in 42.8 ms
(Link to these results)