| 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 | 33.7 | Very low | 31.7 | Very low | 225 Ų | 225 | 138.3 Ų | 138.3 | 100% | 1.108 | 81% | 0.814 | S | S | * | * | 0 | 104.2 | 0 | -93 | 158.3 | 152.6 | 0 | 0 | 106 | |||||
| 2 | D | 32.2 | Very low | 32.5 | Very low | 144 Ų | 144 | 132.3 Ų | 132.3 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | cis | -151.3 | 142.8 | 14.8 | -73.2 | -50.5 | 0 | 0 | 0 | 109.8 | ||||
| 3 | S | 28.5 | Very low | 34.1 | Very low | 119 Ų | 119 | 129.2 Ų | 129.2 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | trans | -93.5 | 108.4 | 172.9 | -50.8 | 0 | 0 | 0 | 0 | 107.5 | V5 | S3-V5 PolarHBondContact O-N 3.5Š| ||
| 4 | E | 31.8 | Very low | 35.4 | Very low | 199 Ų | 199 | 124.2 Ų | 124.2 | 93% | 0.93 | 74% | 0.738 | S | S | * | * | trans | -81.4 | 118.2 | 171.2 | -84.8 | -174.9 | 145.7 | 0 | 0 | 110.4 | ||||
| 5 | V | 32.5 | Very low | 36 | Very low | 133 Ų | 133 | 120.1 Ų | 120.1 | 81% | 0.806 | 73% | 0.732 | S | S | * | * | trans | -79.2 | 128.8 | -178.6 | 167.1 | 0 | 0 | 0 | 0 | 110.3 | S3 | S3-V5 PolarHBondContact O-N 3.5Š| ||
| 6 | N | 30.9 | Very low | 36.8 | Very low | 146 Ų | 146 | 115.5 Ų | 115.5 | 78% | 0.781 | 72% | 0.716 | S | S | * | * | trans | -32 | 122.9 | 163.3 | -129.3 | 4.5 | 0 | 0 | 0 | 114.2 | ||||
| 7 | S | 27 | Very low | 37.6 | Very low | 116 Ų | 116 | 121.2 Ų | 121.2 | 81% | 0.811 | 73% | 0.729 | S | S | * | * | trans | -116.6 | 81.2 | 161 | 176 | 0 | 0 | 0 | 0 | 109.1 | G9 | S7-G9 PolarHBondContact O-N 3.17Å; S7-G9 VanDerWaalsContact O-N 3.16Å | ||
| 8 | S | 30.9 | Very low | 38.8 | Very low | 91 Ų | 91 | 116.2 Ų | 116.2 | 64% | 0.636 | 70% | 0.7 | S | S | * | * | trans | -58.2 | 109.6 | 159.2 | 40.5 | 0 | 0 | 0 | 0 | 108.8 | D10 | S8-D10 PolarHBondContact O-N 3.34Š| ||
| 9 | G | 29.1 | Very low | 40.2 | Very low | 66 Ų | 66 | 114.5 Ų | 114.5 | 68% | 0.68 | 70% | 0.7 | S | S | * | * | trans | -67.9 | 99 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | S7 V11 | S7-G9 PolarHBondContact O-N 3.17Å; S7-G9 VanDerWaalsContact O-N 3.16Å; G9-V11 PolarHBondContact O-N 2.95Å | ||
| 10 | D | 31.2 | Very low | 41.8 | Very low | 157 Ų | 157 | 110.1 Ų | 110.1 | 84% | 0.84 | 67% | 0.67 | S | S | * | * | trans | -66.5 | 99 | 164.7 | -79 | -34.7 | 0 | 0 | 0 | 109.2 | S8 A12 | S8-D10 PolarHBondContact O-N 3.34Å; D10-A12 PolarHBondContact O-N 3.15Å | ||
| 11 | V | 40.4 | Very low | 43.8 | Very low | 125 Ų | 125 | 107.6 Ų | 107.6 | 76% | 0.758 | 66% | 0.658 | S | S | * | * | trans | -66 | 114.2 | 168.2 | 178.1 | 0 | 0 | 0 | 0 | 107.5 | G9 P13 | G9-V11 PolarHBondContact O-N 2.95Å; V11-P13 VanDerWaalsContact O-CD 3.32Å; V11-P13 WeakPolarHBondContact O-CD 3.37Å; V11-P13 VanDerWaalsContact O-N 3.11Å | ||
| 12 | A | 41.2 | Very low | 46.2 | Very low | 67 Ų | 67 | 101.2 Ų | 101.2 | 55% | 0.554 | 63% | 0.625 | S | S | * | * | trans | -54.4 | 117.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | D10 Y14 G15 | D10-A12 PolarHBondContact O-N 3.15Å; A12-Y14 PolarHBondContact O-N 3.25Å; A12-G15 PolarHBondContact O-N 3.21Å | ||
| 13 | P | 54.4 | Low | 48.8 | Very low | 92 Ų | 92 | 100.9 Ų | 100.9 | 60% | 0.597 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.4 | -4.8 | -174 | 22.6 | -30.7 | 0 | 0 | 0 | 114.2 | V11 | V11-P13 VanDerWaalsContact O-CD 3.32Å; V11-P13 WeakPolarHBondContact O-CD 3.37Å; V11-P13 VanDerWaalsContact O-N 3.11Å |
| 14 | Y | 51.9 | Low | 51.5 | Low | 59 Ų | 59 | 99.1 Ų | 99.1 | 23% | 0.231 | 60% | 0.6 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -108.7 | 4 | -177.8 | -63.8 | -76.5 | 0 | 0 | 0 | 113.8 | A12 W91 Y95 C98 P168 | A12-Y14 PolarHBondContact O-N 3.25Å; Y14-W91 AromaticContact CD1-CD1 3.79Å; Y14-Y95 AromaticContact CE2-CD2 3.83Å; Y14-Y95 HydrophobicContact CE2-CD2 3.83Å; Y14-Y95 HydrophobicContact CE2-CG 4.41Å; Y14-Y95 AromaticContact CZ-CD2 3.72Å; Y14-Y95 WeakPolarHBondContact OH-CD2 3.36Å; Y14-C98 HydrophobicContact CE1-CB 3.92Å; Y14-P168 HydrophobicContact CD1-CG 3.67Å; Y14-P168 HydrophobicContact CE1-CG 3.43Å; Y14-P168 VanDerWaalsContact CE1-CG 3.43Å |
| 15 | G | 43.7 | Very low | 54.2 | Low | 62 Ų | 62 | 90 Ų | 90 | 64% | 0.639 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -136.5 | 13 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | A12 | A12-G15 PolarHBondContact O-N 3.21Š|
| 16 | G | 48.7 | Very low | 57 | Low | 47 Ų | 47 | 87.6 Ų | 87.6 | 49% | 0.485 | 54% | 0.539 | S | S | . | . | S | Bend | trans | -70.2 | 141 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | S18 | G16-S18 PolarHBondContact O-N 3.02Å; G16-S18 VanDerWaalsContact O-N 3.1Å |
| 17 | K | 50.4 | Low | 59.8 | Low | 213 Ų | 213 | 85.8 Ų | 85.8 | 93% | 0.926 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -52.8 | 118.3 | 171.5 | -75.4 | 177.3 | 177.6 | 174.7 | 0 | 109.1 | ||
| 18 | S | 60.3 | Low | 62.8 | Low | 30 Ų | 30 | 81.3 Ų | 81.3 | 21% | 0.21 | 50% | 0.496 | C | S | . | . | P | Polyproline II helix | trans | -53.4 | 142.8 | 171.5 | 173 | 0 | 0 | 0 | 0 | 109.7 | G16 F20 H25 T171 | G16-S18 PolarHBondContact O-N 3.02Å; G16-S18 VanDerWaalsContact O-N 3.1Å; S18-F20 PolarHBondContact O-N 3.39Å; S18-F20 VanDerWaalsContact O-N 3.16Å; S18-F20 WeakPolarHBondContact OG-CD2 3.4Å; S18-F20 PolarHBondContact OG-N 3.46Å; S18-F20 VanDerWaalsContact OG-N 3.15Å; S18-H25 WeakPolarHBondContact CB-NE2 3.35Å; S18-H25 PolarHBondContact OG-NE2 3.17Å; S18-T171 PolarHBondContact OG-O 2.87Å; S18-T171 VanDerWaalsContact OG-O 3.13Å |
| 19 | A | 64.2 | Low | 65.8 | Low | 85 Ų | 85 | 77 Ų | 77 | 70% | 0.702 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -68.6 | -4.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 20 | F | 72.6 | Confident | 68.8 | Low | 25 Ų | 25 | 75.5 Ų | 75.5 | 11% | 0.11 | 45% | 0.451 | C | S | . | . | S | Bend | trans | -109.3 | 152.7 | -171.8 | -60.6 | -85 | 0 | 0 | 0 | 112.7 | S18 E24 T171 A273 I277 | S18-F20 PolarHBondContact O-N 3.39Å; S18-F20 VanDerWaalsContact O-N 3.16Å; S18-F20 WeakPolarHBondContact OG-CD2 3.4Å; S18-F20 PolarHBondContact OG-N 3.46Å; S18-F20 VanDerWaalsContact OG-N 3.15Å; F20-E24 HydrophobicContact CB-CB 4.43Å; F20-T171 HydrophobicContact CD2-CG2 4.15Å; F20-T171 HydrophobicContact CE2-CG2 3.62Å; F20-T171 HydrophobicContact CZ-CG2 4.06Å; F20-A273 HydrophobicContact CE1-CB 3.72Å; F20-A273 HydrophobicContact CE2-CB 4.37Å; F20-A273 HydrophobicContact CZ-CB 3.47Å; F20-A273 VanDerWaalsContact CZ-CB 3.47Å; F20-A273 WeakPolarHBondContact CZ-O 3.34Å; F20-I277 HydrophobicContact CD1-CD1 3.72Å; F20-I277 HydrophobicContact CE1-CD1 3.16Å; F20-I277 HydrophobicContact CE1-CG1 4.2Å; F20-I277 HydrophobicContact CE2-CD1 4.15Å; F20-I277 HydrophobicContact CG-CD1 4.39Å; F20-I277 HydrophobicContact CZ-CD1 3.38Å; F20-I277 HydrophobicContact CZ-CG1 3.94Å |
| 21 | S | 83.1 | Confident | 71.8 | Confident | 58 Ų | 58 | 71.9 Ų | 71.9 | 41% | 0.406 | 43% | 0.426 | S | S | . | . | trans | -73.1 | 153.9 | 172 | 69.1 | 0 | 0 | 0 | 0 | 111.3 | M23 E24 H25 | S21-M23 PolarHBondContact O-N 3.4Å; S21-E24 WeakPolarHBondContact CB-OE2 3.36Å; S21-E24 PolarHBondContact N-OE2 3.1Å; S21-E24 PolarHBondContact O-N 2.99Å; S21-E24 VanDerWaalsContact O-N 3.15Å; S21-E24 WeakPolarHBondContact OG-CG 3.39Å; S21-E24 PolarHBondContact OG-N 3.31Å; S21-E24 PolarHBondContact OG-OE2 3.21Å; S21-H25 PolarHBondContact O-CD2 3.32Å; S21-H25 PolarHBondContact O-N 3.47Å | ||
| 22 | Q | 85 | Confident | 74.3 | Confident | 91 Ų | 91 | 65.9 Ų | 65.9 | 43% | 0.425 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -58.9 | -29.2 | 174.1 | -171 | 61.5 | 53.4 | 0 | 0 | 112.4 | N26 I87 | Q22-N26 PolarHBondContact NE2-OD1 3.26Å; Q22-N26 WeakPolarHBondContact O-CB 3.41Å; Q22-N26 PolarHBondContact O-N 2.82Å; Q22-N26 PolarHBondContact O-ND2 3.02Å; Q22-N26 PolarHBondContact O-OD1 3.22Å; Q22-I87 PolarHBondContact NE2-O 3.37Å |
| 23 | M | 86.4 | Confident | 76.8 | Confident | 137 Ų | 137 | 66.8 Ų | 66.8 | 68% | 0.675 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -65.6 | -43.9 | 177.2 | -178.2 | 170.5 | 175.1 | 0 | 0 | 111.7 | S21 N26 I27 | S21-M23 PolarHBondContact O-N 3.4Å; M23-N26 PolarHBondContact O-N 3.4Å; M23-I27 HydrophobicContact CE-CD1 4.32Å; M23-I27 HydrophobicContact CG-CD1 4.21Å; M23-I27 WeakPolarHBondContact O-CG1 3.4Å; M23-I27 PolarHBondContact O-N 3.13Å |
| 24 | E | 86.4 | Confident | 78.6 | Confident | 83 Ų | 83 | 66.3 Ų | 66.3 | 39% | 0.388 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.6 | -45.2 | 177.3 | -71.1 | 162.7 | 130.5 | 0 | 0 | 111.1 | F20 S21 N26 I27 V28 | F20-E24 HydrophobicContact CB-CB 4.43Å; S21-E24 WeakPolarHBondContact CB-OE2 3.36Å; S21-E24 PolarHBondContact N-OE2 3.1Å; S21-E24 PolarHBondContact O-N 2.99Å; S21-E24 VanDerWaalsContact O-N 3.15Å; S21-E24 WeakPolarHBondContact OG-CG 3.39Å; S21-E24 PolarHBondContact OG-N 3.31Å; S21-E24 PolarHBondContact OG-OE2 3.21Å; E24-N26 VanDerWaalsContact C-N 3.34Å; E24-N26 PolarHBondContact O-N 3.33Å; E24-I27 PolarHBondContact O-N 2.93Å; E24-V28 WeakPolarHBondContact O-CG2 3.46Å; E24-V28 PolarHBondContact O-N 3.39Å |
| 25 | H | 87.7 | Confident | 80.5 | Confident | 6 Ų | 6 | 63.8 Ų | 63.8 | 3% | 0.028 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -58.2 | -44.1 | 173.9 | -80.2 | -64.9 | 0 | 0 | 0 | 112.5 | S18 S21 I27 V28 A29 D86 T171 | S18-H25 WeakPolarHBondContact CB-NE2 3.35Å; S18-H25 PolarHBondContact OG-NE2 3.17Å; S21-H25 PolarHBondContact O-CD2 3.32Å; S21-H25 PolarHBondContact O-N 3.47Å; H25-I27 VanDerWaalsContact C-N 3.32Å; H25-I27 PolarHBondContact O-N 3.19Å; H25-V28 PolarHBondContact O-N 3.11Å; H25-A29 WeakPolarHBondContact O-CB 3.4Å; H25-A29 PolarHBondContact O-N 2.85Å; H25-D86 HydrophobicContact CB-CB 4.5Å; H25-D86 WeakPolarHBondContact CB-O 3.11Å; H25-D86 IonicContact CE1-OD1 3.84Å; H25-D86 IonicContact CG-OD1 3.93Å; H25-D86 IonicContact ND1-OD1 2.92Å; H25-D86 PolarHBondContact ND1-OD1 3.01Å; H25-T171 PolarHBondContact CE1-O 3.33Å |
| 26 | N | 90.6 | Very high | 82.8 | Confident | 83 Ų | 83 | 61.1 Ų | 61.1 | 44% | 0.444 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.1 | -36.4 | 177.7 | -69.3 | -11.3 | 0 | 0 | 0 | 112.4 | Q22 M23 E24 G30 | Q22-N26 PolarHBondContact NE2-OD1 3.26Å; Q22-N26 WeakPolarHBondContact O-CB 3.41Å; Q22-N26 PolarHBondContact O-N 2.82Å; Q22-N26 PolarHBondContact O-ND2 3.02Å; Q22-N26 PolarHBondContact O-OD1 3.22Å; M23-N26 PolarHBondContact O-N 3.4Å; E24-N26 VanDerWaalsContact C-N 3.34Å; E24-N26 PolarHBondContact O-N 3.33Å; N26-G30 PolarHBondContact O-N 2.81Å |
| 27 | I | 90.9 | Very high | 84.9 | Confident | 108 Ų | 108 | 63.4 Ų | 63.4 | 55% | 0.554 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -64.9 | -47 | 175.1 | -67.7 | 167.8 | 0 | 0 | 0 | 110.2 | M23 E24 H25 A29 G30 Y31 | M23-I27 HydrophobicContact CE-CD1 4.32Å; M23-I27 HydrophobicContact CG-CD1 4.21Å; M23-I27 WeakPolarHBondContact O-CG1 3.4Å; M23-I27 PolarHBondContact O-N 3.13Å; E24-I27 PolarHBondContact O-N 2.93Å; H25-I27 VanDerWaalsContact C-N 3.32Å; H25-I27 PolarHBondContact O-N 3.19Å; I27-A29 PolarHBondContact O-N 3.29Å; I27-G30 PolarHBondContact O-N 3.47Å; I27-Y31 PolarHBondContact O-N 2.89Å |
| 28 | V | 90.4 | Very high | 86.9 | Confident | 22 Ų | 22 | 58.1 Ų | 58.1 | 13% | 0.133 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.6 | -43.2 | 178.5 | 175.6 | 0 | 0 | 0 | 0 | 110.7 | E24 H25 G30 Y31 L32 I277 L281 | E24-V28 WeakPolarHBondContact O-CG2 3.46Å; E24-V28 PolarHBondContact O-N 3.39Å; H25-V28 PolarHBondContact O-N 3.11Å; V28-G30 PolarHBondContact O-N 3.31Å; V28-Y31 WeakPolarHBondContact O-CB 3.34Å; V28-Y31 PolarHBondContact O-N 3.49Å; V28-L32 HydrophobicContact CG1-CD1 3.78Å; V28-L32 HydrophobicContact CG1-CG 4.29Å; V28-L32 WeakPolarHBondContact O-CB 3.25Å; V28-L32 VanDerWaalsContact O-CG 3.27Å; V28-L32 WeakPolarHBondContact O-CG 3.49Å; V28-L32 PolarHBondContact O-N 3.43Å; V28-I277 HydrophobicContact CG2-CG2 4.06Å; V28-L281 HydrophobicContact CG1-CD1 4.45Å; V28-L281 HydrophobicContact CG1-CD2 4.36Å |
| 29 | A | 92.4 | Very high | 88.4 | Confident | 2 Ų | 2 | 56.7 Ų | 56.7 | 2% | 0.017 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.5 | -47 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | H25 I27 Y31 L32 I33 D86 I87 | H25-A29 WeakPolarHBondContact O-CB 3.4Å; H25-A29 PolarHBondContact O-N 2.85Å; I27-A29 PolarHBondContact O-N 3.29Å; A29-Y31 VanDerWaalsContact C-N 3.33Å; A29-Y31 PolarHBondContact O-N 2.93Å; A29-L32 PolarHBondContact O-N 3.02Å; A29-I33 VanDerWaalsContact O-CG1 3.26Å; A29-I33 WeakPolarHBondContact O-CG1 3.35Å; A29-I33 PolarHBondContact O-N 3.08Å; A29-D86 HydrophobicContact CB-CB 3.81Å; A29-I87 HydrophobicContact CB-CD1 4.42Å; A29-I87 HydrophobicContact CB-CG1 3.75Å |
| 30 | G | 93.4 | Very high | 89.7 | Confident | 34 Ų | 34 | 55 Ų | 55 | 35% | 0.351 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -59.8 | -42.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | N26 I27 V28 T34 | N26-G30 PolarHBondContact O-N 2.81Å; I27-G30 PolarHBondContact O-N 3.47Å; V28-G30 PolarHBondContact O-N 3.31Å; G30-T34 WeakPolarHBondContact O-CB 3.26Å; G30-T34 WeakPolarHBondContact O-CG2 3.46Å; G30-T34 PolarHBondContact O-N 3.25Å; G30-T34 PolarHBondContact O-OG1 3.49Å |
| 31 | Y | 92.7 | Very high | 90.6 | Very high | 80 Ų | 80 | 56.3 Ų | 56.3 | 31% | 0.314 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -58.3 | -54.9 | 171.5 | 171.8 | -97.8 | 0 | 0 | 0 | 111 | I27 V28 A29 I33 T34 A35 L281 S285 | I27-Y31 PolarHBondContact O-N 2.89Å; V28-Y31 WeakPolarHBondContact O-CB 3.34Å; V28-Y31 PolarHBondContact O-N 3.49Å; A29-Y31 VanDerWaalsContact C-N 3.33Å; A29-Y31 PolarHBondContact O-N 2.93Å; Y31-I33 VanDerWaalsContact C-N 3.3Å; Y31-I33 PolarHBondContact O-N 2.87Å; Y31-T34 PolarHBondContact O-N 3.24Å; Y31-T34 PolarHBondContact O-OG1 3.18Å; Y31-A35 HydrophobicContact CE1-CB 4.3Å; Y31-A35 HydrophobicContact CE2-CB 4.45Å; Y31-A35 WeakPolarHBondContact O-CB 3.41Å; Y31-A35 PolarHBondContact O-N 3.15Å; Y31-L281 HydrophobicContact CD1-CD1 4.29Å; Y31-L281 HydrophobicContact CD1-CD2 3.98Å; Y31-L281 HydrophobicContact CE1-CB 4.26Å; Y31-L281 HydrophobicContact CE1-CD1 4.44Å; Y31-L281 HydrophobicContact CE1-CD2 3.89Å; Y31-L281 HydrophobicContact CE1-CG 4.42Å; Y31-S285 WeakPolarHBondContact OH-CB 3.33Å |
| 32 | L | 92.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.5 | -37.2 | -176.8 | -71.4 | 165.9 | 0 | 0 | 0 | 113.3 | V28 A29 G36 Y79 S82 A83 D86 L281 K284 | V28-L32 HydrophobicContact CG1-CD1 3.78Å; V28-L32 HydrophobicContact CG1-CG 4.29Å; V28-L32 WeakPolarHBondContact O-CB 3.25Å; V28-L32 VanDerWaalsContact O-CG 3.27Å; V28-L32 WeakPolarHBondContact O-CG 3.49Å; V28-L32 PolarHBondContact O-N 3.43Å; A29-L32 PolarHBondContact O-N 3.02Å; L32-G36 PolarHBondContact O-N 3.45Å; L32-Y79 HydrophobicContact CD2-CD1 4Å; L32-Y79 HydrophobicContact CD2-CE1 4.46Å; L32-Y79 HydrophobicContact CD2-CG 4.43Å; L32-S82 VanDerWaalsContact CD1-OG 3.23Å; L32-S82 WeakPolarHBondContact CD1-OG 3.31Å; L32-A83 HydrophobicContact CB-CB 4.08Å; L32-A83 HydrophobicContact CD1-CB 4.49Å; L32-D86 WeakPolarHBondContact CD1-OD2 3.25Å; L32-L281 HydrophobicContact CD2-CD2 3.89Å; L32-L281 HydrophobicContact CG-CD2 4.39Å; L32-K284 HydrophobicContact CD2-CD 4.27Å |
| 33 | I | 94.4 | Very high | 91.2 | Very high | 85 Ų | 85 | 51 Ų | 51 | 44% | 0.436 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -67.9 | -53.1 | 176.7 | -67.8 | 164.9 | 0 | 0 | 0 | 110.4 | A29 Y31 A35 G36 V37 A83 I87 | A29-I33 VanDerWaalsContact O-CG1 3.26Å; A29-I33 WeakPolarHBondContact O-CG1 3.35Å; A29-I33 PolarHBondContact O-N 3.08Å; Y31-I33 VanDerWaalsContact C-N 3.3Å; Y31-I33 PolarHBondContact O-N 2.87Å; I33-A35 VanDerWaalsContact C-N 3.35Å; I33-A35 PolarHBondContact O-N 3.22Å; I33-G36 PolarHBondContact O-N 3.28Å; I33-V37 WeakPolarHBondContact O-CG2 3.36Å; I33-V37 PolarHBondContact O-N 3.2Å; I33-A83 HydrophobicContact CD1-CB 4.31Å; I33-A83 HydrophobicContact CG1-CB 3.81Å; I33-I87 HydrophobicContact CD1-CD1 4.39Å |
| 34 | T | 93 | Very high | 91.4 | Very high | 83 Ų | 83 | 48.2 Ų | 48.2 | 51% | 0.509 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.3 | -45.9 | -178.3 | 51.6 | 0 | 0 | 0 | 0 | 111.2 | G30 Y31 V37 I38 | G30-T34 WeakPolarHBondContact O-CB 3.26Å; G30-T34 WeakPolarHBondContact O-CG2 3.46Å; G30-T34 PolarHBondContact O-N 3.25Å; G30-T34 PolarHBondContact O-OG1 3.49Å; Y31-T34 PolarHBondContact O-N 3.24Å; Y31-T34 PolarHBondContact O-OG1 3.18Å; T34-V37 PolarHBondContact O-N 3.29Å; T34-I38 VanDerWaalsContact O-CG1 3.3Å; T34-I38 WeakPolarHBondContact O-CG1 3.16Å; T34-I38 PolarHBondContact O-N 2.9Å |
| 35 | A | 91.6 | Very high | 91.4 | Very high | 6 Ų | 6 | 47.1 Ų | 47.1 | 5% | 0.05 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -52.2 | -61.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | Y31 I33 V37 I38 S39 F288 | Y31-A35 HydrophobicContact CE1-CB 4.3Å; Y31-A35 HydrophobicContact CE2-CB 4.45Å; Y31-A35 WeakPolarHBondContact O-CB 3.41Å; Y31-A35 PolarHBondContact O-N 3.15Å; I33-A35 VanDerWaalsContact C-N 3.35Å; I33-A35 PolarHBondContact O-N 3.22Å; A35-V37 VanDerWaalsContact C-N 3.34Å; A35-V37 PolarHBondContact O-N 3.39Å; A35-V37 VanDerWaalsContact O-N 3.14Å; A35-I38 WeakPolarHBondContact O-CA 3.33Å; A35-I38 WeakPolarHBondContact O-CB 3.36Å; A35-I38 PolarHBondContact O-N 3.46Å; A35-S39 PolarHBondContact O-N 3.38Å; A35-F288 VanDerWaalsContact CA-CZ 3.43Å; A35-F288 HydrophobicContact CB-CE1 4Å; A35-F288 HydrophobicContact CB-CE2 3.68Å; A35-F288 HydrophobicContact CB-CZ 3.23Å; A35-F288 WeakPolarHBondContact O-CE1 3.42Å; A35-F288 WeakPolarHBondContact O-CZ 3.43Å |
| 36 | G | 92.4 | Very high | 91.3 | Very high | 5 Ų | 5 | 47 Ų | 47 | 5% | 0.052 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -52.8 | -42.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 117 | L32 I33 I38 S39 L40 | L32-G36 PolarHBondContact O-N 3.45Å; I33-G36 PolarHBondContact O-N 3.28Å; G36-I38 VanDerWaalsContact C-N 3.33Å; G36-I38 PolarHBondContact O-N 3.05Å; G36-S39 PolarHBondContact O-N 3.29Å; G36-L40 WeakPolarHBondContact O-CB 3.47Å; G36-L40 WeakPolarHBondContact O-CG 3.37Å; G36-L40 PolarHBondContact O-N 3.05Å |
| 37 | V | 93 | Very high | 91.2 | Very high | 96 Ų | 96 | 45.4 Ų | 45.4 | 58% | 0.582 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -60.2 | -44.8 | 174.9 | 173.5 | 0 | 0 | 0 | 0 | 111 | I33 T34 A35 A41 | I33-V37 WeakPolarHBondContact O-CG2 3.36Å; I33-V37 PolarHBondContact O-N 3.2Å; T34-V37 PolarHBondContact O-N 3.29Å; A35-V37 VanDerWaalsContact C-N 3.34Å; A35-V37 PolarHBondContact O-N 3.39Å; A35-V37 VanDerWaalsContact O-N 3.14Å; V37-A41 VanDerWaalsContact O-CB 3.23Å; V37-A41 WeakPolarHBondContact O-CB 3.32Å; V37-A41 PolarHBondContact O-N 3.38Å |
| 38 | I | 91.4 | Very high | 91 | Very high | 102 Ų | 102 | 44.8 Ų | 44.8 | 52% | 0.523 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.8 | -44.2 | 178.8 | -64.5 | 166.4 | 0 | 0 | 0 | 111.3 | T34 A35 G36 S42 F288 | T34-I38 VanDerWaalsContact O-CG1 3.3Å; T34-I38 WeakPolarHBondContact O-CG1 3.16Å; T34-I38 PolarHBondContact O-N 2.9Å; A35-I38 WeakPolarHBondContact O-CA 3.33Å; A35-I38 WeakPolarHBondContact O-CB 3.36Å; A35-I38 PolarHBondContact O-N 3.46Å; G36-I38 VanDerWaalsContact C-N 3.33Å; G36-I38 PolarHBondContact O-N 3.05Å; I38-S42 VanDerWaalsContact O-CB 3.31Å; I38-S42 WeakPolarHBondContact O-CB 3.38Å; I38-S42 PolarHBondContact O-N 3.31Å; I38-S42 PolarHBondContact O-OG 3Å; I38-F288 HydrophobicContact CB-CD1 4.27Å; I38-F288 HydrophobicContact CB-CE1 4.39Å; I38-F288 HydrophobicContact CG2-CD1 4.06Å |
| 39 | S | 91.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.8 | -45.7 | 179.6 | 179.5 | 0 | 0 | 0 | 0 | 110.9 | A35 G36 S42 N43 T287 | A35-S39 PolarHBondContact O-N 3.38Å; G36-S39 PolarHBondContact O-N 3.29Å; S39-S42 PolarHBondContact O-N 3.47Å; S39-S42 PolarHBondContact O-OG 3.16Å; S39-S42 VanDerWaalsContact O-OG 3.08Å; S39-N43 WeakPolarHBondContact O-CB 3.43Å; S39-N43 PolarHBondContact O-N 3Å; S39-N43 PolarHBondContact O-ND2 3.19Å; S39-N43 PolarHBondContact OG-ND2 3.38Å; S39-T287 WeakPolarHBondContact CB-OG1 3.49Å; S39-T287 WeakPolarHBondContact OG-CB 3.21Å; S39-T287 PolarHBondContact OG-O 3.02Å; S39-T287 VanDerWaalsContact OG-O 3.12Å; S39-T287 PolarHBondContact OG-OG1 3.33Å |
| 40 | L | 92.6 | Very high | 90.2 | Very high | 49 Ų | 49 | 44 Ų | 44 | 26% | 0.257 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60.7 | -50.9 | 177.8 | -74.4 | 171.4 | 0 | 0 | 0 | 110.7 | G36 S42 N43 I44 I72 A75 | G36-L40 WeakPolarHBondContact O-CB 3.47Å; G36-L40 WeakPolarHBondContact O-CG 3.37Å; G36-L40 PolarHBondContact O-N 3.05Å; L40-S42 PolarHBondContact O-N 3.32Å; L40-N43 PolarHBondContact O-N 2.95Å; L40-I44 HydrophobicContact CB-CD1 4.45Å; L40-I44 VanDerWaalsContact O-CB 3.23Å; L40-I44 WeakPolarHBondContact O-CB 3.49Å; L40-I44 WeakPolarHBondContact O-CD1 3.12Å; L40-I44 WeakPolarHBondContact O-CG1 3.32Å; L40-I44 PolarHBondContact O-N 2.85Å; L40-I72 HydrophobicContact CD2-CB 4.38Å; L40-I72 HydrophobicContact CD2-CG1 4.35Å; L40-I72 HydrophobicContact CD2-CG2 3.97Å; L40-A75 HydrophobicContact CD2-CB 3.98Å; L40-A75 HydrophobicContact CG-CB 3.81Å |
| 41 | A | 90.8 | Very high | 89.7 | Confident | 53 Ų | 53 | 47.1 Ų | 47.1 | 44% | 0.438 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -59 | -48.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | V37 V45 | V37-A41 VanDerWaalsContact O-CB 3.23Å; V37-A41 WeakPolarHBondContact O-CB 3.32Å; V37-A41 PolarHBondContact O-N 3.38Å; A41-V45 WeakPolarHBondContact O-CB 3.36Å; A41-V45 VanDerWaalsContact O-CG2 3.23Å; A41-V45 WeakPolarHBondContact O-CG2 3.36Å; A41-V45 PolarHBondContact O-N 2.78Å |
| 42 | S | 88.8 | Confident | 89.1 | Confident | 32 Ų | 32 | 47.6 Ų | 47.6 | 22% | 0.224 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.7 | -44 | -178.4 | 56.7 | 0 | 0 | 0 | 0 | 112.9 | I38 S39 L40 V45 V46 | I38-S42 VanDerWaalsContact O-CB 3.31Å; I38-S42 WeakPolarHBondContact O-CB 3.38Å; I38-S42 PolarHBondContact O-N 3.31Å; I38-S42 PolarHBondContact O-OG 3Å; S39-S42 PolarHBondContact O-N 3.47Å; S39-S42 PolarHBondContact O-OG 3.16Å; S39-S42 VanDerWaalsContact O-OG 3.08Å; L40-S42 PolarHBondContact O-N 3.32Å; S42-V45 PolarHBondContact O-N 2.92Å; S42-V46 WeakPolarHBondContact O-CG2 3.43Å; S42-V46 PolarHBondContact O-N 3.43Å |
| 43 | N | 91 | Very high | 88.4 | Confident | 4 Ų | 4 | 48.6 Ų | 48.6 | 2% | 0.021 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -71.5 | -34.9 | 178.7 | -76.5 | -71.6 | 0 | 0 | 0 | 112.6 | S39 L40 V45 V46 L47 A68 D71 I72 T287 P291 | S39-N43 WeakPolarHBondContact O-CB 3.43Å; S39-N43 PolarHBondContact O-N 3Å; S39-N43 PolarHBondContact O-ND2 3.19Å; S39-N43 PolarHBondContact OG-ND2 3.38Å; L40-N43 PolarHBondContact O-N 2.95Å; N43-V45 VanDerWaalsContact C-N 3.34Å; N43-V46 WeakPolarHBondContact O-CB 3.43Å; N43-V46 PolarHBondContact O-N 2.87Å; N43-L47 WeakPolarHBondContact O-CG 3.49Å; N43-L47 PolarHBondContact O-N 3.36Å; N43-A68 HydrophobicContact CB-CB 4.25Å; N43-A68 WeakPolarHBondContact OD1-CA 3.45Å; N43-D71 WeakPolarHBondContact ND2-CB 3.39Å; N43-I72 HydrophobicContact CB-CD1 3.93Å; N43-I72 HydrophobicContact CB-CG1 3.63Å; N43-T287 PolarHBondContact ND2-O 2.84Å; N43-P291 WeakPolarHBondContact ND2-CG 3.12Å; N43-P291 WeakPolarHBondContact OD1-CG 3.39Å |
| 44 | I | 90.7 | Very high | 87.6 | Confident | 80 Ų | 80 | 53.3 Ų | 53.3 | 41% | 0.41 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.3 | -43.7 | 171.8 | -71.3 | 166.4 | 0 | 0 | 0 | 110.2 | L40 V46 L47 L48 I72 | L40-I44 HydrophobicContact CB-CD1 4.45Å; L40-I44 VanDerWaalsContact O-CB 3.23Å; L40-I44 WeakPolarHBondContact O-CB 3.49Å; L40-I44 WeakPolarHBondContact O-CD1 3.12Å; L40-I44 WeakPolarHBondContact O-CG1 3.32Å; L40-I44 PolarHBondContact O-N 2.85Å; I44-V46 VanDerWaalsContact C-N 3.31Å; I44-V46 PolarHBondContact O-N 3.39Å; I44-L47 PolarHBondContact O-N 3.04Å; I44-L48 HydrophobicContact CG2-CD1 3.92Å; I44-L48 HydrophobicContact CG2-CG 4.19Å; I44-L48 WeakPolarHBondContact O-CB 3.3Å; I44-L48 WeakPolarHBondContact O-CG 3.32Å; I44-L48 PolarHBondContact O-N 3.21Å; I44-I72 HydrophobicContact CG1-CD1 4.16Å |
| 45 | V | 87.3 | Confident | 86.8 | Confident | 59 Ų | 59 | 55.7 Ų | 55.7 | 36% | 0.358 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -58.5 | -43.7 | 175.3 | 168.1 | 0 | 0 | 0 | 0 | 110.9 | A41 S42 N43 L47 L48 M49 M308 | A41-V45 WeakPolarHBondContact O-CB 3.36Å; A41-V45 VanDerWaalsContact O-CG2 3.23Å; A41-V45 WeakPolarHBondContact O-CG2 3.36Å; A41-V45 PolarHBondContact O-N 2.78Å; S42-V45 PolarHBondContact O-N 2.92Å; N43-V45 VanDerWaalsContact C-N 3.34Å; V45-L47 PolarHBondContact O-N 2.95Å; V45-L48 PolarHBondContact O-N 3.34Å; V45-M49 WeakPolarHBondContact O-CG 3.39Å; V45-M49 PolarHBondContact O-N 3.44Å; V45-M308 HydrophobicContact CG1-CE 3.77Å |
| 46 | V | 86.1 | Confident | 85.9 | Confident | 4 Ų | 4 | 55.9 Ų | 55.9 | 2% | 0.024 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.3 | -46.5 | 175.2 | 170.6 | 0 | 0 | 0 | 0 | 111.1 | S42 N43 I44 M49 F50 I64 A68 P291 | S42-V46 WeakPolarHBondContact O-CG2 3.43Å; S42-V46 PolarHBondContact O-N 3.43Å; N43-V46 WeakPolarHBondContact O-CB 3.43Å; N43-V46 PolarHBondContact O-N 2.87Å; I44-V46 VanDerWaalsContact C-N 3.31Å; I44-V46 PolarHBondContact O-N 3.39Å; V46-M49 WeakPolarHBondContact O-CB 3.35Å; V46-M49 PolarHBondContact O-N 3.07Å; V46-F50 HydrophobicContact CG1-CD2 4.3Å; V46-F50 HydrophobicContact CG1-CE2 3.75Å; V46-F50 WeakPolarHBondContact O-CD2 3.39Å; V46-F50 PolarHBondContact O-N 3.41Å; V46-I64 HydrophobicContact CG1-CG2 4.01Å; V46-A68 HydrophobicContact CG1-CB 4.25Å; V46-P291 HydrophobicContact CG2-CB 4.34Å |
| 47 | L | 88.6 | Confident | 85.3 | Confident | 49 Ų | 49 | 62.2 Ų | 62.2 | 26% | 0.257 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.1 | -44 | 176.9 | -67.6 | -178 | 0 | 0 | 0 | 112.3 | N43 I44 V45 M49 F50 V51 I65 A68 I72 | N43-L47 WeakPolarHBondContact O-CG 3.49Å; N43-L47 PolarHBondContact O-N 3.36Å; I44-L47 PolarHBondContact O-N 3.04Å; V45-L47 PolarHBondContact O-N 2.95Å; L47-M49 VanDerWaalsContact C-N 3.26Å; L47-M49 PolarHBondContact O-N 3.28Å; L47-F50 PolarHBondContact O-N 3.38Å; L47-F50 VanDerWaalsContact O-N 3.1Å; L47-V51 PolarHBondContact O-N 2.87Å; L47-V51 VanDerWaalsContact O-N 3.11Å; L47-I65 HydrophobicContact CD2-CB 4.4Å; L47-I65 HydrophobicContact CD2-CG2 3.87Å; L47-A68 HydrophobicContact CD2-CB 3.84Å; L47-A68 HydrophobicContact CG-CB 4.02Å; L47-I72 HydrophobicContact CD1-CD1 3.5Å; L47-I72 VanDerWaalsContact CD1-CD1 3.5Å; L47-I72 HydrophobicContact CG-CD1 4.4Å |
| 48 | L | 86.1 | Confident | 84.6 | Confident | 96 Ų | 96 | 60.9 Ų | 60.9 | 50% | 0.503 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.4 | -34.5 | 177.5 | -72.4 | 175.6 | 0 | 0 | 0 | 112.3 | I44 V45 F50 V51 K52 | I44-L48 HydrophobicContact CG2-CD1 3.92Å; I44-L48 HydrophobicContact CG2-CG 4.19Å; I44-L48 WeakPolarHBondContact O-CB 3.3Å; I44-L48 WeakPolarHBondContact O-CG 3.32Å; I44-L48 PolarHBondContact O-N 3.21Å; V45-L48 PolarHBondContact O-N 3.34Å; L48-F50 VanDerWaalsContact C-N 3.33Å; L48-F50 PolarHBondContact O-N 2.84Å; L48-V51 PolarHBondContact O-N 3.31Å; L48-K52 WeakPolarHBondContact O-CB 3.11Å; L48-K52 PolarHBondContact O-N 3.45Å |
| 49 | M | 82.3 | Confident | 83.9 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.3 | -44 | 173.9 | -71.9 | 173 | 53.4 | 0 | 0 | 112.2 | V45 V46 L47 V51 K52 F53 L56 F301 A304 I305 M308 | V45-M49 WeakPolarHBondContact O-CG 3.39Å; V45-M49 PolarHBondContact O-N 3.44Å; V46-M49 WeakPolarHBondContact O-CB 3.35Å; V46-M49 PolarHBondContact O-N 3.07Å; L47-M49 VanDerWaalsContact C-N 3.26Å; L47-M49 PolarHBondContact O-N 3.28Å; M49-V51 VanDerWaalsContact C-N 3.32Å; M49-K52 PolarHBondContact O-N 3.02Å; M49-F53 HydrophobicContact CB-CD2 4.48Å; M49-F53 WeakPolarHBondContact O-CB 3.11Å; M49-F53 WeakPolarHBondContact O-CD2 3.4Å; M49-F53 PolarHBondContact O-N 3.38Å; M49-L56 HydrophobicContact CE-CD1 4.06Å; M49-F301 HydrophobicContact CE-CB 3.87Å; M49-F301 HydrophobicContact CE-CD1 3.26Å; M49-F301 HydrophobicContact CE-CE1 4.06Å; M49-F301 HydrophobicContact CE-CG 3.85Å; M49-F301 HydrophobicContact SD-CD1 4.33Å; M49-A304 HydrophobicContact CE-CB 3.74Å; M49-I305 HydrophobicContact CE-CD1 4.46Å; M49-I305 HydrophobicContact CE-CG1 3.94Å; M49-I305 HydrophobicContact CG-CG1 4.46Å; M49-I305 HydrophobicContact SD-CD1 3.75Å; M49-I305 HydrophobicContact SD-CG1 3.29Å; M49-I305 WeakPolarHBondContact SD-CG1 3.33Å; M49-M308 HydrophobicContact CB-CE 4.44Å; M49-M308 HydrophobicContact CG-CE 3.15Å; M49-M308 HydrophobicContact CG-SD 3.74Å; M49-M308 HydrophobicContact SD-CE 4Å |
| 50 | F | 83.3 | Confident | 83.2 | Confident | 6 Ų | 6 | 58.9 Ų | 58.9 | 3% | 0.026 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -69.7 | -33.1 | 178.9 | -68.2 | -66.7 | 0 | 0 | 0 | 112.2 | V46 L47 L48 L56 R57 N61 I64 I65 F301 | V46-F50 HydrophobicContact CG1-CD2 4.3Å; V46-F50 HydrophobicContact CG1-CE2 3.75Å; V46-F50 WeakPolarHBondContact O-CD2 3.39Å; V46-F50 PolarHBondContact O-N 3.41Å; L47-F50 PolarHBondContact O-N 3.38Å; L47-F50 VanDerWaalsContact O-N 3.1Å; L48-F50 VanDerWaalsContact C-N 3.33Å; L48-F50 PolarHBondContact O-N 2.84Å; F50-L56 HydrophobicContact CD1-CB 3.89Å; F50-L56 HydrophobicContact CE1-CB 4.03Å; F50-L56 WeakPolarHBondContact CE1-O 3.44Å; F50-R57 PolarHBondContact O-NE 2.72Å; F50-R57 PolarHBondContact O-NH2 2.92Å; F50-N61 HydrophobicContact CE1-CB 3.58Å; F50-N61 HydrophobicContact CZ-CB 4.04Å; F50-I64 HydrophobicContact CE2-CB 4.35Å; F50-I64 HydrophobicContact CE2-CG2 4.05Å; F50-I64 HydrophobicContact CZ-CB 4.09Å; F50-I64 HydrophobicContact CZ-CG2 4.09Å; F50-I65 HydrophobicContact CB-CD1 4.03Å; F50-I65 HydrophobicContact CB-CG1 4.36Å; F50-I65 HydrophobicContact CD1-CD1 4.2Å; F50-I65 HydrophobicContact CD1-CG1 4.38Å; F50-I65 HydrophobicContact CD2-CD1 4.01Å; F50-I65 HydrophobicContact CD2-CG1 3.44Å; F50-I65 VanDerWaalsContact CD2-CG1 3.44Å; F50-I65 HydrophobicContact CE2-CD1 4.45Å; F50-I65 HydrophobicContact CE2-CG1 3.62Å; F50-I65 HydrophobicContact CG-CD1 3.82Å; F50-I65 HydrophobicContact CG-CG1 3.81Å; F50-I65 HydrophobicContact CZ-CG1 4.15Å; F50-F301 AromaticContact CE1-CE1 3.71Å; F50-F301 HydrophobicContact CE1-CE1 3.71Å; F50-F301 AromaticContact CE1-CZ 3.49Å; F50-F301 HydrophobicContact CE1-CZ 3.49Å; F50-F301 VanDerWaalsContact CE1-CZ 3.49Å; F50-F301 AromaticContact CE2-CE1 3.91Å; F50-F301 HydrophobicContact CE2-CE1 3.91Å; F50-F301 HydrophobicContact CE2-CZ 4.34Å; F50-F301 AromaticContact CZ-CE1 3.27Å; F50-F301 HydrophobicContact CZ-CE1 3.27Å; F50-F301 AromaticContact CZ-CZ 3.29Å; F50-F301 HydrophobicContact CZ-CZ 3.29Å |
| 51 | V | 83.6 | Confident | 82.8 | Confident | 101 Ų | 101 | 57.1 Ų | 57.1 | 61% | 0.612 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -64.8 | -47.2 | 172.2 | 177.9 | 0 | 0 | 0 | 0 | 110.1 | L47 L48 M49 R57 | L47-V51 PolarHBondContact O-N 2.87Å; L47-V51 VanDerWaalsContact O-N 3.11Å; L48-V51 PolarHBondContact O-N 3.31Å; M49-V51 VanDerWaalsContact C-N 3.32Å; V51-R57 PolarHBondContact O-NH2 2.93Å |
| 52 | K | 79.1 | Confident | 82.6 | Confident | 89 Ų | 89 | 58.8 Ų | 58.8 | 39% | 0.387 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -73.2 | -41.4 | -175.7 | -170.9 | 168.6 | -179.8 | 172.7 | 0 | 113.6 | L48 M49 M308 | L48-K52 WeakPolarHBondContact O-CB 3.11Å; L48-K52 PolarHBondContact O-N 3.45Å; M49-K52 PolarHBondContact O-N 3.02Å; K52-M308 HydrophobicContact CD-CG 4.04Å; K52-M308 HydrophobicContact CD-SD 4.23Å |
| 53 | F | 78.8 | Confident | 82.7 | Confident | 21 Ų | 21 | 57.3 Ų | 57.3 | 9% | 0.092 | 28% | 0.28 | C | S | . | . | trans | -108.9 | 94.1 | -174.8 | -58.2 | -70.3 | 0 | 0 | 0 | 111.3 | M49 E55 L56 A304 M308 I317 | M49-F53 HydrophobicContact CB-CD2 4.48Å; M49-F53 WeakPolarHBondContact O-CB 3.11Å; M49-F53 WeakPolarHBondContact O-CD2 3.4Å; M49-F53 PolarHBondContact O-N 3.38Å; F53-E55 PolarHBondContact O-N 3.09Å; F53-L56 HydrophobicContact CB-CB 4.42Å; F53-L56 HydrophobicContact CB-CD1 3.79Å; F53-L56 HydrophobicContact CB-CG 3.86Å; F53-L56 HydrophobicContact CD2-CD1 4.2Å; F53-L56 HydrophobicContact CG-CD1 4.32Å; F53-L56 WeakPolarHBondContact O-CB 3.27Å; F53-L56 PolarHBondContact O-N 3.02Å; F53-A304 HydrophobicContact CD2-CB 3.79Å; F53-A304 HydrophobicContact CE2-CB 3.71Å; F53-A304 HydrophobicContact CG-CB 4.45Å; F53-A304 HydrophobicContact CZ-CB 4.34Å; F53-M308 HydrophobicContact CE2-CG 3.71Å; F53-M308 HydrophobicContact CE2-SD 4.19Å; F53-M308 HydrophobicContact CZ-CG 4.09Å; F53-I317 HydrophobicContact CD1-CD1 4.4Å; F53-I317 HydrophobicContact CE1-CD1 3.53Å; F53-I317 HydrophobicContact CZ-CD1 3.96Å | ||
| 54 | R | 78.3 | Confident | 82.5 | Confident | 185 Ų | 185 | 57.7 Ų | 57.7 | 70% | 0.698 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | -58.5 | -30 | 178.4 | -168.7 | 176.8 | 179.2 | 175.8 | 0.6 | 112.9 | L56 R57 | R54-L56 PolarHBondContact O-N 3.49Å; R54-R57 WeakPolarHBondContact O-CB 3.23Å; R54-R57 PolarHBondContact O-N 3.05Å |
| 55 | E | 74.5 | Confident | 82.5 | Confident | 133 Ų | 133 | 56 Ų | 56 | 62% | 0.621 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -63.7 | -21.9 | 177.1 | -61.2 | 179.6 | -173.8 | 0 | 0 | 113.6 | F53 R57 | F53-E55 PolarHBondContact O-N 3.09Å; E55-R57 VanDerWaalsContact C-N 3.31Å |
| 56 | L | 72.7 | Confident | 82.8 | Confident | 10 Ų | 10 | 54.2 Ų | 54.2 | 5% | 0.052 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -84.5 | -3.4 | 175.3 | -60.1 | 179.6 | 0 | 0 | 0 | 112.3 | M49 F50 F53 R54 T58 N61 K300 A304 | M49-L56 HydrophobicContact CE-CD1 4.06Å; F50-L56 HydrophobicContact CD1-CB 3.89Å; F50-L56 HydrophobicContact CE1-CB 4.03Å; F50-L56 WeakPolarHBondContact CE1-O 3.44Å; F53-L56 HydrophobicContact CB-CB 4.42Å; F53-L56 HydrophobicContact CB-CD1 3.79Å; F53-L56 HydrophobicContact CB-CG 3.86Å; F53-L56 HydrophobicContact CD2-CD1 4.2Å; F53-L56 HydrophobicContact CG-CD1 4.32Å; F53-L56 WeakPolarHBondContact O-CB 3.27Å; F53-L56 PolarHBondContact O-N 3.02Å; R54-L56 PolarHBondContact O-N 3.49Å; L56-T58 VanDerWaalsContact C-N 3.27Å; L56-T58 PolarHBondContact O-N 3.48Å; L56-N61 WeakPolarHBondContact O-CB 3.47Å; L56-N61 PolarHBondContact O-ND2 2.93Å; L56-K300 HydrophobicContact CD2-CB 4.11Å; L56-A304 HydrophobicContact CD1-CB 3.93Å |
| 57 | R | 79.5 | Confident | 83.1 | Confident | 137 Ų | 137 | 54.1 Ų | 54.1 | 52% | 0.517 | 26% | 0.262 | S | S | . | . | trans | -85.7 | 66.9 | -178.5 | -58.8 | -177.1 | -165.6 | 170.8 | 2.5 | 111.5 | F50 V51 R54 E55 | F50-R57 PolarHBondContact O-NE 2.72Å; F50-R57 PolarHBondContact O-NH2 2.92Å; V51-R57 PolarHBondContact O-NH2 2.93Å; R54-R57 WeakPolarHBondContact O-CB 3.23Å; R54-R57 PolarHBondContact O-N 3.05Å; E55-R57 VanDerWaalsContact C-N 3.31Å | ||
| 58 | T | 79.3 | Confident | 83.3 | Confident | 69 Ų | 69 | 51.9 Ų | 51.9 | 42% | 0.423 | 25% | 0.25 | S | S | . | . | trans | -95.3 | 160.7 | 173.2 | 64.8 | 0 | 0 | 0 | 0 | 110.8 | L56 T60 N61 F62 | L56-T58 VanDerWaalsContact C-N 3.27Å; L56-T58 PolarHBondContact O-N 3.48Å; T58-T60 VanDerWaalsContact C-N 3.28Å; T58-T60 PolarHBondContact O-N 3.48Å; T58-N61 PolarHBondContact O-N 3.42Å; T58-N61 WeakPolarHBondContact OG1-CB 3.45Å; T58-N61 VanDerWaalsContact OG1-CG 3.22Å; T58-N61 PolarHBondContact OG1-N 3.45Å; T58-N61 PolarHBondContact OG1-ND2 3.48Å; T58-F62 PolarHBondContact O-N 2.84Å | ||
| 59 | A | 77.4 | Confident | 83.6 | Confident | 33 Ų | 33 | 52.9 Ų | 52.9 | 27% | 0.273 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -41.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | N61 F62 A138 Y141 | A59-N61 VanDerWaalsContact C-N 3.35Å; A59-N61 PolarHBondContact O-N 2.76Å; A59-F62 VanDerWaalsContact O-CB 3.25Å; A59-F62 WeakPolarHBondContact O-CB 3.49Å; A59-F62 PolarHBondContact O-N 2.86Å; A59-A138 HydrophobicContact CB-CB 4.24Å; A59-Y141 HydrophobicContact CB-CD2 3.52Å; A59-Y141 HydrophobicContact CB-CE2 4.01Å; A59-Y141 HydrophobicContact CB-CG 4.22Å |
| 60 | T | 76.4 | Confident | 84.2 | Confident | 26 Ų | 26 | 52.9 Ų | 52.9 | 16% | 0.16 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -43 | 172.8 | -58.4 | 0 | 0 | 0 | 0 | 113 | T58 F62 I63 D122 | T58-T60 VanDerWaalsContact C-N 3.28Å; T58-T60 PolarHBondContact O-N 3.48Å; T60-F62 PolarHBondContact O-N 2.94Å; T60-I63 WeakPolarHBondContact O-CB 3.43Å; T60-I63 WeakPolarHBondContact O-CD1 3.43Å; T60-I63 WeakPolarHBondContact O-CG1 3.29Å; T60-I63 PolarHBondContact O-N 3.49Å; T60-I63 VanDerWaalsContact O-N 3.12Å; T60-D122 WeakPolarHBondContact CB-OD1 3.28Å; T60-D122 HydrophobicContact CG2-CB 4.5Å; T60-D122 WeakPolarHBondContact CG2-OD1 3.38Å; T60-D122 WeakPolarHBondContact CG2-OD2 3.46Å; T60-D122 PolarHBondContact OG1-OD1 2.97Å |
| 61 | N | 84.1 | Confident | 84.8 | Confident | 12 Ų | 12 | 52.7 Ų | 52.7 | 6% | 0.064 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -71.7 | -15.2 | -177.2 | -76.2 | -9.5 | 0 | 0 | 0 | 112.7 | F50 L56 T58 A59 I63 I64 I65 | F50-N61 HydrophobicContact CE1-CB 3.58Å; F50-N61 HydrophobicContact CZ-CB 4.04Å; L56-N61 WeakPolarHBondContact O-CB 3.47Å; L56-N61 PolarHBondContact O-ND2 2.93Å; T58-N61 PolarHBondContact O-N 3.42Å; T58-N61 WeakPolarHBondContact OG1-CB 3.45Å; T58-N61 VanDerWaalsContact OG1-CG 3.22Å; T58-N61 PolarHBondContact OG1-N 3.45Å; T58-N61 PolarHBondContact OG1-ND2 3.48Å; A59-N61 VanDerWaalsContact C-N 3.35Å; A59-N61 PolarHBondContact O-N 2.76Å; N61-I63 PolarHBondContact O-N 3.42Å; N61-I64 WeakPolarHBondContact O-CB 3.18Å; N61-I64 PolarHBondContact O-N 3.17Å; N61-I65 PolarHBondContact O-N 2.94Å |
| 62 | F | 87.4 | Confident | 85.3 | Confident | 88 Ų | 88 | 49.7 Ų | 49.7 | 39% | 0.386 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -64 | -28.5 | 170.7 | -159.3 | -115.1 | 0 | 0 | 0 | 112.4 | T58 A59 T60 I64 I65 N66 I145 | T58-F62 PolarHBondContact O-N 2.84Å; A59-F62 VanDerWaalsContact O-CB 3.25Å; A59-F62 WeakPolarHBondContact O-CB 3.49Å; A59-F62 PolarHBondContact O-N 2.86Å; T60-F62 PolarHBondContact O-N 2.94Å; F62-I64 VanDerWaalsContact C-N 3.34Å; F62-I65 HydrophobicContact CD2-CD1 4.16Å; F62-I65 PolarHBondContact O-N 3.36Å; F62-N66 PolarHBondContact O-N 3.05Å; F62-N66 VanDerWaalsContact O-N 3.11Å; F62-N66 PolarHBondContact O-ND2 3.34Å; F62-I145 HydrophobicContact CB-CD1 4.46Å; F62-I145 HydrophobicContact CD1-CD1 3.59Å; F62-I145 HydrophobicContact CE1-CD1 4.35Å; F62-I145 HydrophobicContact CG-CD1 4.46Å |
| 63 | I | 89.5 | Confident | 86 | Confident | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.7 | -43.7 | 173.1 | -54.7 | 160.3 | 0 | 0 | 0 | 110.1 | T60 N61 I65 N66 L67 L115 V118 V119 D122 Y141 I145 | T60-I63 WeakPolarHBondContact O-CB 3.43Å; T60-I63 WeakPolarHBondContact O-CD1 3.43Å; T60-I63 WeakPolarHBondContact O-CG1 3.29Å; T60-I63 PolarHBondContact O-N 3.49Å; T60-I63 VanDerWaalsContact O-N 3.12Å; N61-I63 PolarHBondContact O-N 3.42Å; I63-I65 VanDerWaalsContact C-N 3.32Å; I63-I65 PolarHBondContact O-N 2.74Å; I63-N66 PolarHBondContact O-N 2.8Å; I63-L67 PolarHBondContact O-N 3.37Å; I63-L115 HydrophobicContact CG2-CB 4.23Å; I63-L115 HydrophobicContact CG2-CD2 4.09Å; I63-V118 HydrophobicContact CD1-CG1 3.65Å; I63-V118 HydrophobicContact CG1-CG1 4.11Å; I63-V119 HydrophobicContact CB-CG2 4.31Å; I63-V119 HydrophobicContact CG2-CG2 3.5Å; I63-D122 HydrophobicContact CD1-CB 4.3Å; I63-Y141 HydrophobicContact CD1-CD1 3.96Å; I63-Y141 HydrophobicContact CD1-CE1 4.29Å; I63-I145 HydrophobicContact CG1-CD1 3.98Å; I63-I145 HydrophobicContact CG1-CG1 4.2Å |
| 64 | I | 88.4 | Confident | 86.7 | Confident | 13 Ų | 13 | 45.5 Ų | 45.5 | 7% | 0.067 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.1 | -38.3 | -179.9 | -56.1 | 175.5 | 0 | 0 | 0 | 110.7 | V46 F50 N61 F62 L67 A68 Y294 F301 | V46-I64 HydrophobicContact CG1-CG2 4.01Å; F50-I64 HydrophobicContact CE2-CB 4.35Å; F50-I64 HydrophobicContact CE2-CG2 4.05Å; F50-I64 HydrophobicContact CZ-CB 4.09Å; F50-I64 HydrophobicContact CZ-CG2 4.09Å; N61-I64 WeakPolarHBondContact O-CB 3.18Å; N61-I64 PolarHBondContact O-N 3.17Å; F62-I64 VanDerWaalsContact C-N 3.34Å; I64-L67 PolarHBondContact O-N 2.92Å; I64-A68 PolarHBondContact O-N 2.93Å; I64-Y294 HydrophobicContact CD1-CD1 3.75Å; I64-Y294 HydrophobicContact CD1-CE1 4.48Å; I64-Y294 HydrophobicContact CD1-CG 4.22Å; I64-Y294 HydrophobicContact CG1-CD1 3.76Å; I64-Y294 HydrophobicContact CG1-CE1 4.05Å; I64-Y294 HydrophobicContact CG1-CG 4.27Å; I64-Y294 HydrophobicContact CG2-CD1 4.13Å; I64-Y294 HydrophobicContact CG2-CD2 3.9Å; I64-Y294 HydrophobicContact CG2-CE2 4.49Å; I64-Y294 HydrophobicContact CG2-CG 3.76Å; I64-F301 HydrophobicContact CD1-CE2 4.29Å; I64-F301 HydrophobicContact CD1-CZ 3.85Å |
| 65 | I | 90.5 | Very high | 87.5 | Confident | 43 Ų | 43 | 36.7 Ų | 36.7 | 22% | 0.221 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61 | -45.9 | 174.6 | -67 | 170.9 | 0 | 0 | 0 | 110.8 | L47 F50 N61 F62 I63 L67 A68 F69 | L47-I65 HydrophobicContact CD2-CB 4.4Å; L47-I65 HydrophobicContact CD2-CG2 3.87Å; F50-I65 HydrophobicContact CB-CD1 4.03Å; F50-I65 HydrophobicContact CB-CG1 4.36Å; F50-I65 HydrophobicContact CD1-CD1 4.2Å; F50-I65 HydrophobicContact CD1-CG1 4.38Å; F50-I65 HydrophobicContact CD2-CD1 4.01Å; F50-I65 HydrophobicContact CD2-CG1 3.44Å; F50-I65 VanDerWaalsContact CD2-CG1 3.44Å; F50-I65 HydrophobicContact CE2-CD1 4.45Å; F50-I65 HydrophobicContact CE2-CG1 3.62Å; F50-I65 HydrophobicContact CG-CD1 3.82Å; F50-I65 HydrophobicContact CG-CG1 3.81Å; F50-I65 HydrophobicContact CZ-CG1 4.15Å; N61-I65 PolarHBondContact O-N 2.94Å; F62-I65 HydrophobicContact CD2-CD1 4.16Å; F62-I65 PolarHBondContact O-N 3.36Å; I63-I65 VanDerWaalsContact C-N 3.32Å; I63-I65 PolarHBondContact O-N 2.74Å; I65-L67 VanDerWaalsContact C-N 3.29Å; I65-L67 PolarHBondContact O-N 3.33Å; I65-A68 PolarHBondContact O-N 2.84Å; I65-F69 PolarHBondContact O-N 3.47Å |
| 66 | N | 93.7 | Very high | 88.4 | Confident | 23 Ų | 23 | 32.1 Ų | 32.1 | 12% | 0.123 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.3 | -37.6 | 178.4 | -81.3 | -95.7 | 0 | 0 | 0 | 111.6 | F62 I63 F69 T70 L115 I145 W149 | F62-N66 PolarHBondContact O-N 3.05Å; F62-N66 VanDerWaalsContact O-N 3.11Å; F62-N66 PolarHBondContact O-ND2 3.34Å; I63-N66 PolarHBondContact O-N 2.8Å; N66-F69 WeakPolarHBondContact O-CB 3.23Å; N66-F69 PolarHBondContact O-N 3.26Å; N66-T70 PolarHBondContact O-N 3.35Å; N66-L115 HydrophobicContact CB-CD1 3.75Å; N66-L115 HydrophobicContact CB-CD2 3.95Å; N66-I145 HydrophobicContact CB-CG2 4.45Å; N66-I145 WeakPolarHBondContact OD1-CG2 3.43Å; N66-W149 HydrophobicContact CB-CZ2 4.45Å; N66-W149 PolarHBondContact OD1-NE1 3.39Å |
| 67 | L | 91.3 | Very high | 89.3 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -69.8 | -40.2 | 177.6 | -162.2 | 94.1 | 0 | 0 | 0 | 112.7 | I63 I64 I65 F69 T70 D71 S112 L115 L116 N290 Y294 | I63-L67 PolarHBondContact O-N 3.37Å; I64-L67 PolarHBondContact O-N 2.92Å; I65-L67 VanDerWaalsContact C-N 3.29Å; I65-L67 PolarHBondContact O-N 3.33Å; L67-F69 PolarHBondContact O-N 3.02Å; L67-T70 WeakPolarHBondContact CA-OG1 3.46Å; L67-T70 PolarHBondContact O-N 3.38Å; L67-T70 VanDerWaalsContact O-N 3.11Å; L67-T70 PolarHBondContact O-OG1 2.84Å; L67-D71 PolarHBondContact O-N 3.45Å; L67-S112 WeakPolarHBondContact CD1-O 3.43Å; L67-S112 WeakPolarHBondContact CD1-OG 3.5Å; L67-L115 HydrophobicContact CB-CD1 4.36Å; L67-L115 HydrophobicContact CD1-CB 3.66Å; L67-L115 HydrophobicContact CD1-CD1 4.16Å; L67-L116 HydrophobicContact CD1-CG 4.14Å; L67-N290 HydrophobicContact CD2-CB 3.79Å; L67-Y294 HydrophobicContact CD2-CD2 4.43Å; L67-Y294 HydrophobicContact CD2-CE2 3.2Å; L67-Y294 WeakPolarHBondContact CD2-OH 3.27Å |
| 68 | A | 92.4 | Very high | 89.9 | Confident | 2 Ų | 2 | 28.5 Ų | 28.5 | 2% | 0.017 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.5 | -34.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | N43 V46 L47 I64 I65 I72 | N43-A68 HydrophobicContact CB-CB 4.25Å; N43-A68 WeakPolarHBondContact OD1-CA 3.45Å; V46-A68 HydrophobicContact CG1-CB 4.25Å; L47-A68 HydrophobicContact CD2-CB 3.84Å; L47-A68 HydrophobicContact CG-CB 4.02Å; I64-A68 PolarHBondContact O-N 2.93Å; I65-A68 PolarHBondContact O-N 2.84Å; A68-I72 WeakPolarHBondContact O-CB 3.41Å; A68-I72 WeakPolarHBondContact O-CD1 3.35Å; A68-I72 WeakPolarHBondContact O-CG1 3.36Å; A68-I72 PolarHBondContact O-N 3.21Å |
| 69 | F | 93.9 | Very high | 90.6 | Very high | 117 Ų | 117 | 25.4 Ų | 25.4 | 51% | 0.513 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -68.3 | -41 | 174.1 | -173.2 | -98.5 | 0 | 0 | 0 | 112.7 | I65 N66 L67 D71 I72 G73 F108 W149 | I65-F69 PolarHBondContact O-N 3.47Å; N66-F69 WeakPolarHBondContact O-CB 3.23Å; N66-F69 PolarHBondContact O-N 3.26Å; L67-F69 PolarHBondContact O-N 3.02Å; F69-D71 VanDerWaalsContact C-N 3.32Å; F69-D71 PolarHBondContact O-N 3.13Å; F69-I72 PolarHBondContact O-N 3.04Å; F69-G73 PolarHBondContact O-N 3.33Å; F69-F108 HydrophobicContact CE1-CE1 4.36Å; F69-W149 AromaticContact CD1-CH2 3.69Å; F69-W149 HydrophobicContact CD1-CH2 3.69Å; F69-W149 HydrophobicContact CD1-CZ2 4.06Å; F69-W149 HydrophobicContact CE1-CH2 4.1Å |
| 70 | T | 94.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.9 | -42.1 | 174.2 | 56.9 | 0 | 0 | 0 | 0 | 111.7 | N66 L67 G73 V74 F108 A111 L115 W149 | N66-T70 PolarHBondContact O-N 3.35Å; L67-T70 WeakPolarHBondContact CA-OG1 3.46Å; L67-T70 PolarHBondContact O-N 3.38Å; L67-T70 VanDerWaalsContact O-N 3.11Å; L67-T70 PolarHBondContact O-OG1 2.84Å; T70-G73 PolarHBondContact O-N 3.43Å; T70-V74 PolarHBondContact O-N 3.01Å; T70-V74 VanDerWaalsContact O-N 3.13Å; T70-F108 HydrophobicContact CG2-CD1 4.25Å; T70-A111 HydrophobicContact CG2-CB 3.63Å; T70-L115 HydrophobicContact CG2-CD1 3.97Å; T70-W149 HydrophobicContact CG2-CH2 3.59Å; T70-W149 HydrophobicContact CG2-CZ2 4.03Å; T70-W149 HydrophobicContact CG2-CZ3 4.23Å |
| 71 | D | 94.4 | Very high | 92.3 | Very high | 2 Ų | 2 | 27.3 Ų | 27.3 | 1% | 0.011 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -68.9 | -41.2 | -178.6 | -68.5 | -8.9 | 0 | 0 | 0 | 111.8 | N43 L67 F69 G73 V74 A75 T287 N290 | N43-D71 WeakPolarHBondContact ND2-CB 3.39Å; L67-D71 PolarHBondContact O-N 3.45Å; F69-D71 VanDerWaalsContact C-N 3.32Å; F69-D71 PolarHBondContact O-N 3.13Å; D71-G73 VanDerWaalsContact C-N 3.29Å; D71-G73 PolarHBondContact O-N 2.99Å; D71-V74 PolarHBondContact O-N 2.94Å; D71-A75 VanDerWaalsContact O-CB 3.3Å; D71-A75 WeakPolarHBondContact O-CB 3.49Å; D71-A75 PolarHBondContact O-N 2.95Å; D71-T287 HydrophobicContact CB-CG2 4.17Å; D71-N290 PolarHBondContact OD1-ND2 2.9Å; D71-N290 VanDerWaalsContact OD1-ND2 3.07Å; D71-N290 WeakPolarHBondContact OD2-CB 3.3Å; D71-N290 PolarHBondContact OD2-ND2 3.48Å |
| 72 | I | 94.5 | Very high | 92.7 | Very high | 38 Ų | 38 | 26.8 Ų | 26.8 | 20% | 0.195 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.8 | -37.9 | 172.1 | -72.3 | 166 | 0 | 0 | 0 | 110.9 | L40 N43 I44 L47 A68 F69 A75 G76 | L40-I72 HydrophobicContact CD2-CB 4.38Å; L40-I72 HydrophobicContact CD2-CG1 4.35Å; L40-I72 HydrophobicContact CD2-CG2 3.97Å; N43-I72 HydrophobicContact CB-CD1 3.93Å; N43-I72 HydrophobicContact CB-CG1 3.63Å; I44-I72 HydrophobicContact CG1-CD1 4.16Å; L47-I72 HydrophobicContact CD1-CD1 3.5Å; L47-I72 VanDerWaalsContact CD1-CD1 3.5Å; L47-I72 HydrophobicContact CG-CD1 4.4Å; A68-I72 WeakPolarHBondContact O-CB 3.41Å; A68-I72 WeakPolarHBondContact O-CD1 3.35Å; A68-I72 WeakPolarHBondContact O-CG1 3.36Å; A68-I72 PolarHBondContact O-N 3.21Å; F69-I72 PolarHBondContact O-N 3.04Å; I72-A75 PolarHBondContact O-N 2.76Å; I72-G76 WeakPolarHBondContact O-CA 3.41Å; I72-G76 PolarHBondContact O-N 3.07Å |
| 73 | G | 94.4 | Very high | 93 | Very high | 10 Ų | 10 | 22.8 Ų | 22.8 | 10% | 0.103 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59 | -48.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | F69 T70 D71 I77 | F69-G73 PolarHBondContact O-N 3.33Å; T70-G73 PolarHBondContact O-N 3.43Å; D71-G73 VanDerWaalsContact C-N 3.29Å; D71-G73 PolarHBondContact O-N 2.99Å; G73-I77 WeakPolarHBondContact O-CB 3.31Å; G73-I77 PolarHBondContact O-N 3Å; G73-I77 VanDerWaalsContact O-N 3.14Å |
| 74 | V | 94.2 | Very high | 93.2 | Very high | 12 Ų | 12 | 24.5 Ų | 24.5 | 7% | 0.073 | 15% | 0.145 | C | C | . | . | I | π-helix | trans | -65.3 | -46.1 | 176.4 | 177.9 | 0 | 0 | 0 | 0 | 111.3 | T70 D71 G78 Y79 F108 T287 | T70-V74 PolarHBondContact O-N 3.01Å; T70-V74 VanDerWaalsContact O-N 3.13Å; D71-V74 PolarHBondContact O-N 2.94Å; V74-G78 CarbonylContact O-C 3.52Å; V74-G78 WeakPolarHBondContact O-CA 3.09Å; V74-G78 PolarHBondContact O-N 3.46Å; V74-Y79 HydrophobicContact CG1-CD1 4.27Å; V74-Y79 HydrophobicContact CG1-CE1 3.74Å; V74-Y79 PolarHBondContact O-N 2.68Å; V74-F108 HydrophobicContact CG2-CB 3.45Å; V74-F108 VanDerWaalsContact CG2-CB 3.45Å; V74-F108 HydrophobicContact CG2-CD2 4.28Å; V74-F108 HydrophobicContact CG2-CG 4.22Å; V74-T287 HydrophobicContact CB-CG2 4.01Å; V74-T287 HydrophobicContact CG1-CG2 4.06Å; V74-T287 HydrophobicContact CG2-CG2 4.49Å |
| 75 | A | 94.1 | Very high | 93.4 | Very high | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.008 | 14% | 0.141 | C | C | . | . | I | π-helix | trans | -73.3 | -30.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | L40 D71 I72 Y79 P80 | L40-A75 HydrophobicContact CD2-CB 3.98Å; L40-A75 HydrophobicContact CG-CB 3.81Å; D71-A75 VanDerWaalsContact O-CB 3.3Å; D71-A75 WeakPolarHBondContact O-CB 3.49Å; D71-A75 PolarHBondContact O-N 2.95Å; I72-A75 PolarHBondContact O-N 2.76Å; A75-Y79 HydrophobicContact CB-CD2 4.01Å; A75-Y79 HydrophobicContact CB-CE2 4.03Å; A75-P80 WeakPolarHBondContact O-CD 3.35Å |
| 76 | G | 93.4 | Very high | 93.4 | Very high | 36 Ų | 36 | 22 Ų | 22 | 37% | 0.371 | 13% | 0.132 | S | C | . | . | I | π-helix | trans | -85.4 | -26.7 | -179 | 0 | 0 | 0 | 0 | 0 | 114.1 | I72 P80 | I72-G76 WeakPolarHBondContact O-CA 3.41Å; I72-G76 PolarHBondContact O-N 3.07Å; G76-P80 WeakPolarHBondContact O-CG 3.16Å |
| 77 | I | 92.5 | Very high | 93.4 | Very high | 71 Ų | 71 | 25.7 Ų | 25.7 | 36% | 0.364 | 15% | 0.151 | S | C | . | . | I | π-helix | trans | -116.2 | -54 | -177.9 | -54.9 | 173.7 | 0 | 0 | 0 | 111 | G73 P80 M81 L104 | G73-I77 WeakPolarHBondContact O-CB 3.31Å; G73-I77 PolarHBondContact O-N 3Å; G73-I77 VanDerWaalsContact O-N 3.14Å; I77-P80 WeakPolarHBondContact O-CD 3.38Å; I77-M81 HydrophobicContact CG2-SD 3.99Å; I77-M81 WeakPolarHBondContact O-CG 3.39Å; I77-M81 PolarHBondContact O-N 3.08Å; I77-L104 HydrophobicContact CD1-CD1 4.13Å; I77-L104 HydrophobicContact CG2-CD1 3.95Å |
| 78 | G | 92.1 | Very high | 93.3 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | I | π-helix | trans | -62.5 | -50.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | V74 S82 Y101 | V74-G78 CarbonylContact O-C 3.52Å; V74-G78 WeakPolarHBondContact O-CA 3.09Å; V74-G78 PolarHBondContact O-N 3.46Å; G78-S82 VanDerWaalsContact O-CB 3.3Å; G78-S82 WeakPolarHBondContact O-CB 3.38Å; G78-S82 PolarHBondContact O-N 3.38Å; G78-S82 VanDerWaalsContact O-N 3.09Å; G78-Y101 WeakPolarHBondContact O-CE2 3.31Å |
| 79 | Y | 93.3 | Very high | 92.9 | Very high | 3 Ų | 3 | 31 Ų | 31 | 1% | 0.012 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -67.3 | -43.9 | -176.8 | -60.8 | -15.1 | 0 | 0 | 0 | 114.3 | L32 V74 A75 M81 S82 A83 K284 T287 F288 | L32-Y79 HydrophobicContact CD2-CD1 4Å; L32-Y79 HydrophobicContact CD2-CE1 4.46Å; L32-Y79 HydrophobicContact CD2-CG 4.43Å; V74-Y79 HydrophobicContact CG1-CD1 4.27Å; V74-Y79 HydrophobicContact CG1-CE1 3.74Å; V74-Y79 PolarHBondContact O-N 2.68Å; A75-Y79 HydrophobicContact CB-CD2 4.01Å; A75-Y79 HydrophobicContact CB-CE2 4.03Å; Y79-M81 PolarHBondContact O-N 3.25Å; Y79-S82 PolarHBondContact O-N 2.95Å; Y79-A83 VanDerWaalsContact O-CB 3.31Å; Y79-A83 WeakPolarHBondContact O-CB 3.49Å; Y79-A83 PolarHBondContact O-N 2.86Å; Y79-K284 HydrophobicContact CD1-CD 4.32Å; Y79-K284 HydrophobicContact CE1-CB 3.69Å; Y79-K284 HydrophobicContact CE1-CD 3.91Å; Y79-K284 HydrophobicContact CE1-CG 3.84Å; Y79-K284 PolarHBondContact OH-O 3.25Å; Y79-T287 PolarHBondContact OH-OG1 2.88Å; Y79-F288 HydrophobicContact CE2-CE1 4.32Å; Y79-F288 HydrophobicContact CE2-CE2 4.46Å; Y79-F288 AromaticContact CE2-CZ 3.58Å; Y79-F288 HydrophobicContact CE2-CZ 3.58Å; Y79-F288 AromaticContact CZ-CZ 3.94Å |
| 80 | P | 94.5 | Very high | 92.6 | Very high | 68 Ų | 68 | 26.9 Ų | 26.9 | 44% | 0.442 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -62.4 | -41.7 | 178.6 | -27.2 | 38 | 0 | 0 | 0 | 113.1 | A75 G76 I77 A84 | A75-P80 WeakPolarHBondContact O-CD 3.35Å; G76-P80 WeakPolarHBondContact O-CG 3.16Å; I77-P80 WeakPolarHBondContact O-CD 3.38Å; P80-A84 VanDerWaalsContact O-CB 3.24Å; P80-A84 WeakPolarHBondContact O-CB 3.45Å; P80-A84 PolarHBondContact O-N 3.12Å |
| 81 | M | 94.4 | Very high | 92.4 | Very high | 32 Ų | 32 | 27.3 Ų | 27.3 | 16% | 0.158 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.2 | -40.2 | 177.1 | -71 | -176 | 75.4 | 0 | 0 | 112.2 | I77 Y79 S85 W91 F93 Y101 | I77-M81 HydrophobicContact CG2-SD 3.99Å; I77-M81 WeakPolarHBondContact O-CG 3.39Å; I77-M81 PolarHBondContact O-N 3.08Å; Y79-M81 PolarHBondContact O-N 3.25Å; M81-S85 PolarHBondContact O-N 3.25Å; M81-S85 PolarHBondContact O-OG 2.9Å; M81-W91 HydrophobicContact CE-CH2 4.03Å; M81-W91 HydrophobicContact CE-CZ2 4.12Å; M81-F93 HydrophobicContact CB-CD2 4.41Å; M81-F93 HydrophobicContact CB-CE2 3.97Å; M81-F93 HydrophobicContact CB-CZ 4.43Å; M81-F93 HydrophobicContact CE-CB 4.06Å; M81-F93 HydrophobicContact CE-CD1 4.17Å; M81-F93 HydrophobicContact CE-CD2 3.85Å; M81-F93 HydrophobicContact CE-CE2 4.36Å; M81-F93 HydrophobicContact CE-CG 3.75Å; M81-F93 HydrophobicContact CG-CE2 4.23Å; M81-F93 HydrophobicContact CG-CZ 4.28Å; M81-F93 WeakPolarHBondContact O-CE2 3.13Å; M81-Y101 HydrophobicContact CB-CD2 3.75Å; M81-Y101 HydrophobicContact CB-CE2 4.06Å; M81-Y101 HydrophobicContact SD-CD2 4.17Å |
| 82 | S | 92.6 | Very high | 92.3 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.007 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.3 | -52.6 | 176.1 | -164 | 0 | 0 | 0 | 0 | 110.6 | L32 G78 Y79 A84 S85 D86 Y101 T174 | L32-S82 VanDerWaalsContact CD1-OG 3.23Å; L32-S82 WeakPolarHBondContact CD1-OG 3.31Å; G78-S82 VanDerWaalsContact O-CB 3.3Å; G78-S82 WeakPolarHBondContact O-CB 3.38Å; G78-S82 PolarHBondContact O-N 3.38Å; G78-S82 VanDerWaalsContact O-N 3.09Å; Y79-S82 PolarHBondContact O-N 2.95Å; S82-A84 VanDerWaalsContact C-N 3.32Å; S82-A84 PolarHBondContact O-N 3Å; S82-S85 PolarHBondContact O-N 2.94Å; S82-D86 PolarHBondContact O-N 3.48Å; S82-Y101 PolarHBondContact OG-OH 3.33Å; S82-T174 WeakPolarHBondContact OG-CG2 3.03Å |
| 83 | A | 93.4 | Very high | 92.2 | Very high | 4 Ų | 4 | 35.9 Ų | 35.9 | 3% | 0.033 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.6 | -39.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L32 I33 Y79 S85 D86 I87 | L32-A83 HydrophobicContact CB-CB 4.08Å; L32-A83 HydrophobicContact CD1-CB 4.49Å; I33-A83 HydrophobicContact CD1-CB 4.31Å; I33-A83 HydrophobicContact CG1-CB 3.81Å; Y79-A83 VanDerWaalsContact O-CB 3.31Å; Y79-A83 WeakPolarHBondContact O-CB 3.49Å; Y79-A83 PolarHBondContact O-N 2.86Å; A83-S85 VanDerWaalsContact C-N 3.31Å; A83-S85 PolarHBondContact O-N 3.42Å; A83-D86 PolarHBondContact O-N 3.03Å; A83-I87 VanDerWaalsContact O-CG1 3.27Å; A83-I87 WeakPolarHBondContact O-CG1 3.43Å; A83-I87 PolarHBondContact O-N 3.42Å |
| 84 | A | 93.9 | Very high | 92.1 | Very high | 37 Ų | 37 | 36.8 Ų | 36.8 | 31% | 0.306 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -64.6 | -35.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | P80 S82 H88 F93 | P80-A84 VanDerWaalsContact O-CB 3.24Å; P80-A84 WeakPolarHBondContact O-CB 3.45Å; P80-A84 PolarHBondContact O-N 3.12Å; S82-A84 VanDerWaalsContact C-N 3.32Å; S82-A84 PolarHBondContact O-N 3Å; A84-H88 PolarHBondContact O-N 3.37Å; A84-F93 HydrophobicContact CB-CE2 4.2Å; A84-F93 HydrophobicContact CB-CZ 4.05Å |
| 85 | S | 92.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -75.2 | -38.1 | 176.3 | -59.6 | 0 | 0 | 0 | 0 | 111.7 | M81 S82 A83 H88 G89 S90 K92 A173 | M81-S85 PolarHBondContact O-N 3.25Å; M81-S85 PolarHBondContact O-OG 2.9Å; S82-S85 PolarHBondContact O-N 2.94Å; A83-S85 VanDerWaalsContact C-N 3.31Å; A83-S85 PolarHBondContact O-N 3.42Å; S85-H88 CarbonylContact O-C 3.27Å; S85-H88 WeakPolarHBondContact O-CB 3.46Å; S85-H88 PolarHBondContact O-N 2.77Å; S85-G89 PolarHBondContact O-N 2.9Å; S85-S90 WeakPolarHBondContact CA-O 3.35Å; S85-S90 PolarHBondContact O-N 3.28Å; S85-S90 VanDerWaalsContact O-O 3.06Å; S85-K92 PolarHBondContact OG-N 3.12Å; S85-A173 WeakPolarHBondContact CB-O 3.37Å |
| 86 | D | 91.4 | Very high | 91.9 | Very high | 3 Ų | 3 | 46.8 Ų | 46.8 | 2% | 0.016 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.4 | -46.4 | 173.1 | -81.4 | -60.1 | 0 | 0 | 0 | 111.6 | H25 A29 L32 S82 A83 H88 G89 A173 | H25-D86 HydrophobicContact CB-CB 4.5Å; H25-D86 WeakPolarHBondContact CB-O 3.11Å; H25-D86 IonicContact CE1-OD1 3.84Å; H25-D86 IonicContact CG-OD1 3.93Å; H25-D86 IonicContact ND1-OD1 2.92Å; H25-D86 PolarHBondContact ND1-OD1 3.01Å; A29-D86 HydrophobicContact CB-CB 3.81Å; L32-D86 WeakPolarHBondContact CD1-OD2 3.25Å; S82-D86 PolarHBondContact O-N 3.48Å; A83-D86 PolarHBondContact O-N 3.03Å; D86-H88 PolarHBondContact O-N 3.12Å; D86-G89 PolarHBondContact O-N 3.49Å; D86-A173 HydrophobicContact CB-CB 4.39Å; D86-A173 WeakPolarHBondContact OD1-CB 3.43Å |
| 87 | I | 92.1 | Very high | 91.9 | Very high | 101 Ų | 101 | 45.7 Ų | 45.7 | 52% | 0.518 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -58.4 | -34 | 174.6 | -67.8 | 164.4 | 0 | 0 | 0 | 111.4 | Q22 A29 I33 A83 G89 | Q22-I87 PolarHBondContact NE2-O 3.37Å; A29-I87 HydrophobicContact CB-CD1 4.42Å; A29-I87 HydrophobicContact CB-CG1 3.75Å; I33-I87 HydrophobicContact CD1-CD1 4.39Å; A83-I87 VanDerWaalsContact O-CG1 3.27Å; A83-I87 WeakPolarHBondContact O-CG1 3.43Å; A83-I87 PolarHBondContact O-N 3.42Å; I87-G89 VanDerWaalsContact C-N 3.33Å |
| 88 | H | 89.4 | Confident | 92 | Very high | 101 Ų | 101 | 42.3 Ų | 42.3 | 47% | 0.468 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -76.6 | -18.5 | 176.1 | -169.8 | 51.3 | 0 | 0 | 0 | 113.7 | A84 S85 D86 S90 | A84-H88 PolarHBondContact O-N 3.37Å; S85-H88 CarbonylContact O-C 3.27Å; S85-H88 WeakPolarHBondContact O-CB 3.46Å; S85-H88 PolarHBondContact O-N 2.77Å; D86-H88 PolarHBondContact O-N 3.12Å; H88-S90 PolarHBondContact CD2-O 3.17Å; H88-S90 PolarHBondContact CD2-OG 3.02Å; H88-S90 PolarHBondContact O-N 3.47Å |
| 89 | G | 85.3 | Confident | 92.1 | Very high | 12 Ų | 12 | 43.2 Ų | 43.2 | 12% | 0.124 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.2 | 4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | S85 D86 I87 | S85-G89 PolarHBondContact O-N 2.9Å; D86-G89 PolarHBondContact O-N 3.49Å; I87-G89 VanDerWaalsContact C-N 3.33Å |
| 90 | S | 86.9 | Confident | 92.2 | Very high | 31 Ų | 31 | 47.7 Ų | 47.7 | 22% | 0.217 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -164.6 | 165.1 | 176.8 | 61.8 | 0 | 0 | 0 | 0 | 111.6 | S85 H88 K92 G172 | S85-S90 WeakPolarHBondContact CA-O 3.35Å; S85-S90 PolarHBondContact O-N 3.28Å; S85-S90 VanDerWaalsContact O-O 3.06Å; H88-S90 PolarHBondContact CD2-O 3.17Å; H88-S90 PolarHBondContact CD2-OG 3.02Å; H88-S90 PolarHBondContact O-N 3.47Å; S90-K92 PolarHBondContact O-N 3.31Å; S90-K92 VanDerWaalsContact O-N 3.14Å; S90-G172 CarbonylContact C-O 3.59Å |
| 91 | W | 91.4 | Very high | 92.2 | Very high | 10 Ų | 10 | 44.6 Ų | 44.6 | 4% | 0.038 | 24% | 0.239 | C | C | . | . | trans | -65.6 | 114 | -174.9 | -178.6 | -104.4 | 0 | 0 | 0 | 110.9 | Y14 M81 F93 G94 C98 Y101 G172 A173 | Y14-W91 AromaticContact CD1-CD1 3.79Å; M81-W91 HydrophobicContact CE-CH2 4.03Å; M81-W91 HydrophobicContact CE-CZ2 4.12Å; W91-F93 AromaticContact CH2-CD2 3.97Å; W91-F93 HydrophobicContact CH2-CD2 3.97Å; W91-F93 HydrophobicContact CZ2-CB 3.73Å; W91-F93 AromaticContact CZ2-CD2 3.91Å; W91-F93 HydrophobicContact CZ2-CD2 3.91Å; W91-F93 HydrophobicContact CZ2-CG 4.26Å; W91-F93 HydrophobicContact CZ3-CD2 4.38Å; W91-G94 PolarHBondContact NE1-O 3.49Å; W91-C98 HydrophobicContact CZ2-CB 4.27Å; W91-Y101 HydrophobicContact CH2-CD1 4.24Å; W91-Y101 AromaticContact CH2-CD2 3.72Å; W91-Y101 HydrophobicContact CH2-CD2 3.72Å; W91-Y101 HydrophobicContact CH2-CE2 4.38Å; W91-Y101 AromaticContact CH2-CG 3.61Å; W91-Y101 HydrophobicContact CH2-CG 3.61Å; W91-Y101 HydrophobicContact CZ2-CG 4.47Å; W91-Y101 HydrophobicContact CZ3-CD2 4.22Å; W91-Y101 HydrophobicContact CZ3-CE2 4.45Å; W91-Y101 HydrophobicContact CZ3-CG 4.25Å; W91-G172 VanDerWaalsContact CA-O 3.3Å; W91-G172 WeakPolarHBondContact CA-O 3.27Å; W91-G172 WeakPolarHBondContact CB-O 3.43Å; W91-G172 PolarHBondContact N-O 3.38Å; W91-A173 VanDerWaalsContact CE3-O 3.29Å | ||
| 92 | K | 91.8 | Very high | 92.2 | Very high | 133 Ų | 133 | 43.1 Ų | 43.1 | 58% | 0.578 | 23% | 0.232 | S | C | * | . | trans | -87.2 | -23.1 | -170.4 | -176.4 | 166.9 | 178.6 | 158 | 0 | 114.5 | S85 S90 G94 | S85-K92 PolarHBondContact OG-N 3.12Å; S90-K92 PolarHBondContact O-N 3.31Å; S90-K92 VanDerWaalsContact O-N 3.14Å; K92-G94 PolarHBondContact O-N 2.76Å | ||
| 93 | F | 92.4 | Very high | 92.4 | Very high | 86 Ų | 86 | 43.7 Ų | 43.7 | 38% | 0.377 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -95.9 | 13.5 | -165.8 | -57 | -84.9 | 0 | 0 | 0 | 114.5 | M81 A84 W91 G97 | M81-F93 HydrophobicContact CB-CD2 4.41Å; M81-F93 HydrophobicContact CB-CE2 3.97Å; M81-F93 HydrophobicContact CB-CZ 4.43Å; M81-F93 HydrophobicContact CE-CB 4.06Å; M81-F93 HydrophobicContact CE-CD1 4.17Å; M81-F93 HydrophobicContact CE-CD2 3.85Å; M81-F93 HydrophobicContact CE-CE2 4.36Å; M81-F93 HydrophobicContact CE-CG 3.75Å; M81-F93 HydrophobicContact CG-CE2 4.23Å; M81-F93 HydrophobicContact CG-CZ 4.28Å; M81-F93 WeakPolarHBondContact O-CE2 3.13Å; A84-F93 HydrophobicContact CB-CE2 4.2Å; A84-F93 HydrophobicContact CB-CZ 4.05Å; W91-F93 AromaticContact CH2-CD2 3.97Å; W91-F93 HydrophobicContact CH2-CD2 3.97Å; W91-F93 HydrophobicContact CZ2-CB 3.73Å; W91-F93 AromaticContact CZ2-CD2 3.91Å; W91-F93 HydrophobicContact CZ2-CD2 3.91Å; W91-F93 HydrophobicContact CZ2-CG 4.26Å; W91-F93 HydrophobicContact CZ3-CD2 4.38Å; F93-G97 WeakPolarHBondContact O-CA 3.41Å; F93-G97 PolarHBondContact O-N 2.93Å |
| 94 | G | 92 | Very high | 92.5 | Very high | 30 Ų | 30 | 45.9 Ų | 45.9 | 31% | 0.309 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | 60.7 | -168.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | W91 K92 C98 | W91-G94 PolarHBondContact NE1-O 3.49Å; K92-G94 PolarHBondContact O-N 2.76Å; G94-C98 WeakPolarHBondContact O-CB 3.42Å; G94-C98 PolarHBondContact O-N 2.9Å; G94-C98 VanDerWaalsContact O-N 3.07Å |
| 95 | Y | 90.4 | Very high | 92.5 | Very high | 138 Ų | 138 | 45.3 Ų | 45.3 | 54% | 0.541 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -60.3 | -53 | -177 | 179.4 | -90.2 | 0 | 0 | 0 | 112.5 | Y14 G97 C98 Q99 | Y14-Y95 AromaticContact CE2-CD2 3.83Å; Y14-Y95 HydrophobicContact CE2-CD2 3.83Å; Y14-Y95 HydrophobicContact CE2-CG 4.41Å; Y14-Y95 AromaticContact CZ-CD2 3.72Å; Y14-Y95 WeakPolarHBondContact OH-CD2 3.36Å; Y95-G97 VanDerWaalsContact C-N 3.34Å; Y95-G97 PolarHBondContact O-N 3.42Å; Y95-C98 WeakPolarHBondContact O-CA 3.23Å; Y95-C98 WeakPolarHBondContact O-CB 3Å; Y95-C98 PolarHBondContact O-N 3.48Å; Y95-Q99 HydrophobicContact CD1-CG 4.07Å; Y95-Q99 HydrophobicContact CE1-CG 3.6Å; Y95-Q99 HydrophobicContact CE2-CG 4.44Å; Y95-Q99 WeakPolarHBondContact O-CG 3.27Å; Y95-Q99 PolarHBondContact O-N 3.09Å |
| 96 | S | 93.3 | Very high | 92.6 | Very high | 85 Ų | 85 | 46.2 Ų | 46.2 | 59% | 0.594 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -62.4 | -40.9 | -176.5 | -51.5 | 0 | 0 | 0 | 0 | 112.3 | C98 Q99 I100 | S96-C98 VanDerWaalsContact C-N 3.28Å; S96-C98 PolarHBondContact O-N 2.89Å; S96-Q99 PolarHBondContact O-N 2.93Å; S96-I100 VanDerWaalsContact O-CG1 3.32Å; S96-I100 WeakPolarHBondContact O-CG1 3.49Å; S96-I100 PolarHBondContact O-N 3.08Å |
| 97 | G | 94 | Very high | 92.9 | Very high | 12 Ų | 12 | 47.8 Ų | 47.8 | 12% | 0.124 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.5 | -37.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | F93 Y95 I100 Y101 | F93-G97 WeakPolarHBondContact O-CA 3.41Å; F93-G97 PolarHBondContact O-N 2.93Å; Y95-G97 VanDerWaalsContact C-N 3.34Å; Y95-G97 PolarHBondContact O-N 3.42Å; G97-I100 PolarHBondContact O-N 3.19Å; G97-Y101 WeakPolarHBondContact O-CB 3.5Å; G97-Y101 PolarHBondContact O-N 3.28Å |
| 98 | C | 94.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.1 | -46.6 | 177.5 | -173.9 | 0 | 0 | 0 | 0 | 111.7 | Y14 W91 G94 Y95 S96 Y101 A102 C175 | Y14-C98 HydrophobicContact CE1-CB 3.92Å; W91-C98 HydrophobicContact CZ2-CB 4.27Å; G94-C98 WeakPolarHBondContact O-CB 3.42Å; G94-C98 PolarHBondContact O-N 2.9Å; G94-C98 VanDerWaalsContact O-N 3.07Å; Y95-C98 WeakPolarHBondContact O-CA 3.23Å; Y95-C98 WeakPolarHBondContact O-CB 3Å; Y95-C98 PolarHBondContact O-N 3.48Å; S96-C98 VanDerWaalsContact C-N 3.28Å; S96-C98 PolarHBondContact O-N 2.89Å; C98-Y101 PolarHBondContact O-N 2.82Å; C98-A102 WeakPolarHBondContact O-CB 3.43Å; C98-A102 PolarHBondContact O-N 3.36Å; C98-C175 WeakPolarHBondContact CA-SG 3.01Å; C98-C175 HydrophobicContact CB-CB 3.97Å; C98-C175 WeakPolarHBondContact CB-SG 2.89Å; C98-C175 WeakPolarHBondContact O-CB 3.43Å; C98-C175 WeakPolarHBondContact SG-CB 3.08Å; C98-C175 CovalentContact SG-SG 2.02Å; C98-C175 PolarHBondContact SG-SG 3.12Å |
| 99 | Q | 95 | Very high | 93.3 | Very high | 20 Ų | 20 | 39.4 Ų | 39.4 | 9% | 0.093 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61 | -49.2 | 176.9 | -59.8 | -55.8 | -49 | 0 | 0 | 111 | Y95 S96 Y101 A102 A103 Y166 | Y95-Q99 HydrophobicContact CD1-CG 4.07Å; Y95-Q99 HydrophobicContact CE1-CG 3.6Å; Y95-Q99 HydrophobicContact CE2-CG 4.44Å; Y95-Q99 WeakPolarHBondContact O-CG 3.27Å; Y95-Q99 PolarHBondContact O-N 3.09Å; S96-Q99 PolarHBondContact O-N 2.93Å; Q99-Y101 PolarHBondContact O-N 2.95Å; Q99-A102 PolarHBondContact O-N 3.49Å; Q99-A103 WeakPolarHBondContact O-CB 3.37Å; Q99-A103 PolarHBondContact O-N 3.39Å; Q99-Y166 PolarHBondContact NE2-O 3.07Å |
| 100 | I | 94.9 | Very high | 93.7 | Very high | 98 Ų | 98 | 39.8 Ų | 39.8 | 50% | 0.503 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -62.4 | -46.1 | 180 | -67.6 | 166.9 | 0 | 0 | 0 | 110.8 | S96 G97 L104 | S96-I100 VanDerWaalsContact O-CG1 3.32Å; S96-I100 WeakPolarHBondContact O-CG1 3.49Å; S96-I100 PolarHBondContact O-N 3.08Å; G97-I100 PolarHBondContact O-N 3.19Å; I100-L104 HydrophobicContact CG2-CD1 3.73Å; I100-L104 HydrophobicContact CG2-CG 4.31Å; I100-L104 WeakPolarHBondContact O-CB 3.3Å; I100-L104 VanDerWaalsContact O-CG 3.3Å; I100-L104 WeakPolarHBondContact O-CG 2.93Å; I100-L104 PolarHBondContact O-N 3.44Å |
| 101 | Y | 95.2 | Very high | 94.2 | Very high | 3 Ų | 3 | 38.3 Ų | 38.3 | 1% | 0.012 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -57.9 | -52.8 | 178.4 | 172.9 | -84.6 | 0 | 0 | 0 | 111.5 | G78 M81 S82 W91 G97 C98 Q99 L104 N105 C175 K284 | G78-Y101 WeakPolarHBondContact O-CE2 3.31Å; M81-Y101 HydrophobicContact CB-CD2 3.75Å; M81-Y101 HydrophobicContact CB-CE2 4.06Å; M81-Y101 HydrophobicContact SD-CD2 4.17Å; S82-Y101 PolarHBondContact OG-OH 3.33Å; W91-Y101 HydrophobicContact CH2-CD1 4.24Å; W91-Y101 AromaticContact CH2-CD2 3.72Å; W91-Y101 HydrophobicContact CH2-CD2 3.72Å; W91-Y101 HydrophobicContact CH2-CE2 4.38Å; W91-Y101 AromaticContact CH2-CG 3.61Å; W91-Y101 HydrophobicContact CH2-CG 3.61Å; W91-Y101 HydrophobicContact CZ2-CG 4.47Å; W91-Y101 HydrophobicContact CZ3-CD2 4.22Å; W91-Y101 HydrophobicContact CZ3-CE2 4.45Å; W91-Y101 HydrophobicContact CZ3-CG 4.25Å; G97-Y101 WeakPolarHBondContact O-CB 3.5Å; G97-Y101 PolarHBondContact O-N 3.28Å; C98-Y101 PolarHBondContact O-N 2.82Å; Q99-Y101 PolarHBondContact O-N 2.95Å; Y101-L104 PolarHBondContact O-N 3.04Å; Y101-N105 WeakPolarHBondContact O-CB 3.05Å; Y101-N105 PolarHBondContact O-N 3.44Å; Y101-N105 PolarHBondContact O-ND2 3.25Å; Y101-C175 HydrophobicContact CD1-CB 3.86Å; Y101-C175 WeakPolarHBondContact CD1-O 3.28Å; Y101-C175 WeakPolarHBondContact CE1-O 3.47Å; Y101-K284 PolarHBondContact OH-NZ 2.98Å |
| 102 | A | 94.7 | Very high | 94.3 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.008 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.5 | -44.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | C98 Q99 L104 N105 I106 Y166 C175 | C98-A102 WeakPolarHBondContact O-CB 3.43Å; C98-A102 PolarHBondContact O-N 3.36Å; Q99-A102 PolarHBondContact O-N 3.49Å; A102-L104 PolarHBondContact O-N 3.45Å; A102-N105 PolarHBondContact O-N 2.61Å; A102-I106 WeakPolarHBondContact O-CB 3.42Å; A102-I106 WeakPolarHBondContact O-CG1 3.2Å; A102-I106 PolarHBondContact O-N 3.4Å; A102-Y166 HydrophobicContact CB-CD1 3.55Å; A102-Y166 HydrophobicContact CB-CD2 3.87Å; A102-Y166 HydrophobicContact CB-CE1 4.03Å; A102-Y166 HydrophobicContact CB-CE2 4.27Å; A102-Y166 HydrophobicContact CB-CG 3.47Å; A102-Y166 VanDerWaalsContact CB-CG 3.47Å; A102-C175 HydrophobicContact CB-CB 4.09Å |
| 103 | A | 95.9 | Very high | 94.4 | Very high | 12 Ų | 12 | 31.9 Ų | 31.9 | 10% | 0.099 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.6 | -48.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q99 I106 F107 S156 I160 Y166 | Q99-A103 WeakPolarHBondContact O-CB 3.37Å; Q99-A103 PolarHBondContact O-N 3.39Å; A103-I106 PolarHBondContact O-N 2.86Å; A103-F107 WeakPolarHBondContact O-CB 3.26Å; A103-F107 PolarHBondContact O-N 3.44Å; A103-S156 WeakPolarHBondContact O-CB 3.23Å; A103-I160 HydrophobicContact CB-CD1 3.96Å; A103-Y166 HydrophobicContact CB-CE2 3.82Å |
| 104 | L | 95.8 | Very high | 94.5 | Very high | 50 Ų | 50 | 28.5 Ų | 28.5 | 26% | 0.262 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -65.9 | -42.1 | 179.8 | -73.3 | 175.7 | 0 | 0 | 0 | 112.5 | I77 I100 Y101 A102 I106 F107 F108 | I77-L104 HydrophobicContact CD1-CD1 4.13Å; I77-L104 HydrophobicContact CG2-CD1 3.95Å; I100-L104 HydrophobicContact CG2-CD1 3.73Å; I100-L104 HydrophobicContact CG2-CG 4.31Å; I100-L104 WeakPolarHBondContact O-CB 3.3Å; I100-L104 VanDerWaalsContact O-CG 3.3Å; I100-L104 WeakPolarHBondContact O-CG 2.93Å; I100-L104 PolarHBondContact O-N 3.44Å; Y101-L104 PolarHBondContact O-N 3.04Å; A102-L104 PolarHBondContact O-N 3.45Å; L104-I106 VanDerWaalsContact C-N 3.35Å; L104-F107 PolarHBondContact O-N 3.24Å; L104-F108 HydrophobicContact CB-CD2 4.47Å; L104-F108 HydrophobicContact CB-CE2 4.35Å; L104-F108 HydrophobicContact CD2-CE2 4.16Å; L104-F108 WeakPolarHBondContact O-CD2 3.29Å; L104-F108 PolarHBondContact O-N 3.27Å |
| 105 | N | 94.3 | Very high | 94.6 | Very high | 25 Ų | 25 | 27.1 Ų | 27.1 | 13% | 0.134 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.9 | -41.9 | 177.8 | -82.7 | -94.8 | 0 | 0 | 0 | 111.3 | Y101 A102 G109 K284 | Y101-N105 WeakPolarHBondContact O-CB 3.05Å; Y101-N105 PolarHBondContact O-N 3.44Å; Y101-N105 PolarHBondContact O-ND2 3.25Å; A102-N105 PolarHBondContact O-N 2.61Å; N105-G109 PolarHBondContact O-N 3.27Å; N105-K284 PolarHBondContact OD1-NZ 3.1Å |
| 106 | I | 94.3 | Very high | 94.6 | Very high | 20 Ų | 20 | 20.8 Ų | 20.8 | 10% | 0.103 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -67.4 | -45 | 175.8 | -72.8 | 165.5 | 0 | 0 | 0 | 110.5 | A102 A103 L104 F108 G109 M110 Y166 I177 | A102-I106 WeakPolarHBondContact O-CB 3.42Å; A102-I106 WeakPolarHBondContact O-CG1 3.2Å; A102-I106 PolarHBondContact O-N 3.4Å; A103-I106 PolarHBondContact O-N 2.86Å; L104-I106 VanDerWaalsContact C-N 3.35Å; I106-F108 PolarHBondContact O-N 3.21Å; I106-G109 PolarHBondContact O-N 2.96Å; I106-M110 HydrophobicContact CG2-CE 4.1Å; I106-M110 HydrophobicContact CG2-CG 3.99Å; I106-M110 WeakPolarHBondContact O-CB 3.37Å; I106-M110 VanDerWaalsContact O-CG 3.22Å; I106-M110 WeakPolarHBondContact O-CG 3.37Å; I106-M110 PolarHBondContact O-N 3.2Å; I106-Y166 HydrophobicContact CD1-CD1 4.25Å; I106-Y166 HydrophobicContact CD1-CE1 3.26Å; I106-Y166 WeakPolarHBondContact CD1-OH 3.15Å; I106-I177 HydrophobicContact CD1-CD1 4.3Å; I106-I177 HydrophobicContact CD1-CG1 3.89Å |
| 107 | F | 97.1 | Very high | 94.6 | Very high | 36 Ų | 36 | 17.6 Ų | 17.6 | 16% | 0.158 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -54.2 | -56.8 | 177.3 | 171.7 | -111.5 | 0 | 0 | 0 | 111.6 | A103 L104 G109 M110 A111 W149 A152 V153 | A103-F107 WeakPolarHBondContact O-CB 3.26Å; A103-F107 PolarHBondContact O-N 3.44Å; L104-F107 PolarHBondContact O-N 3.24Å; F107-G109 VanDerWaalsContact C-N 3.32Å; F107-G109 PolarHBondContact O-N 3.14Å; F107-M110 PolarHBondContact O-N 3.38Å; F107-A111 VanDerWaalsContact O-CB 3.32Å; F107-A111 WeakPolarHBondContact O-CB 3.27Å; F107-A111 PolarHBondContact O-N 3.21Å; F107-W149 HydrophobicContact CE1-CE3 4.06Å; F107-W149 AromaticContact CE1-CZ3 3.51Å; F107-W149 HydrophobicContact CE1-CZ3 3.51Å; F107-W149 AromaticContact CE2-CE3 3.84Å; F107-W149 HydrophobicContact CE2-CE3 3.84Å; F107-W149 HydrophobicContact CE2-CZ3 4.14Å; F107-W149 AromaticContact CZ-CE3 3.32Å; F107-W149 HydrophobicContact CZ-CE3 3.32Å; F107-W149 AromaticContact CZ-CZ3 3.28Å; F107-W149 HydrophobicContact CZ-CZ3 3.28Å; F107-A152 HydrophobicContact CD2-CB 3.66Å; F107-A152 HydrophobicContact CE2-CB 3.91Å; F107-A152 VanDerWaalsContact O-CB 3.28Å; F107-A152 WeakPolarHBondContact O-CB 3.42Å; F107-V153 HydrophobicContact CD2-CG2 4.16Å; F107-V153 HydrophobicContact CE2-CG2 3.53Å; F107-V153 HydrophobicContact CZ-CG2 4.44Å |
| 108 | F | 96.3 | Very high | 94.5 | Very high | 16 Ų | 16 | 17.5 Ų | 17.5 | 7% | 0.07 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -66.6 | -34.7 | -179.9 | -68.1 | -56.7 | 0 | 0 | 0 | 112.5 | F69 T70 V74 L104 I106 S112 W149 | F69-F108 HydrophobicContact CE1-CE1 4.36Å; T70-F108 HydrophobicContact CG2-CD1 4.25Å; V74-F108 HydrophobicContact CG2-CB 3.45Å; V74-F108 VanDerWaalsContact CG2-CB 3.45Å; V74-F108 HydrophobicContact CG2-CD2 4.28Å; V74-F108 HydrophobicContact CG2-CG 4.22Å; L104-F108 HydrophobicContact CB-CD2 4.47Å; L104-F108 HydrophobicContact CB-CE2 4.35Å; L104-F108 HydrophobicContact CD2-CE2 4.16Å; L104-F108 WeakPolarHBondContact O-CD2 3.29Å; L104-F108 PolarHBondContact O-N 3.27Å; I106-F108 PolarHBondContact O-N 3.21Å; F108-S112 VanDerWaalsContact O-CB 3.23Å; F108-S112 WeakPolarHBondContact O-CB 3.25Å; F108-S112 PolarHBondContact O-N 3.23Å; F108-W149 HydrophobicContact CD1-CZ3 4.46Å; F108-W149 HydrophobicContact CE1-CZ3 4.47Å |
| 109 | G | 93.6 | Very high | 94.3 | Very high | 9 Ų | 9 | 18.2 Ų | 18.2 | 9% | 0.093 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61.6 | -51.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | N105 I106 F107 A111 S112 I113 | N105-G109 PolarHBondContact O-N 3.27Å; I106-G109 PolarHBondContact O-N 2.96Å; F107-G109 VanDerWaalsContact C-N 3.32Å; F107-G109 PolarHBondContact O-N 3.14Å; G109-A111 PolarHBondContact O-N 2.98Å; G109-S112 WeakPolarHBondContact O-CB 3.28Å; G109-S112 PolarHBondContact O-N 3.05Å; G109-I113 WeakPolarHBondContact O-CG1 3.32Å; G109-I113 PolarHBondContact O-N 3.3Å |
| 110 | M | 94.6 | Very high | 94 | Very high | 20 Ų | 20 | 17.2 Ų | 17.2 | 10% | 0.099 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -65.1 | -39.2 | 178.8 | -63.3 | -54.3 | 172.4 | 0 | 0 | 111.8 | I106 F107 S112 I113 G114 A152 W155 V193 N197 | I106-M110 HydrophobicContact CG2-CE 4.1Å; I106-M110 HydrophobicContact CG2-CG 3.99Å; I106-M110 WeakPolarHBondContact O-CB 3.37Å; I106-M110 VanDerWaalsContact O-CG 3.22Å; I106-M110 WeakPolarHBondContact O-CG 3.37Å; I106-M110 PolarHBondContact O-N 3.2Å; F107-M110 PolarHBondContact O-N 3.38Å; M110-S112 VanDerWaalsContact C-N 3.34Å; M110-I113 PolarHBondContact O-N 3.43Å; M110-I113 HydrophobicContact SD-CD1 4.37Å; M110-G114 PolarHBondContact O-N 2.91Å; M110-A152 HydrophobicContact CB-CB 3.99Å; M110-W155 HydrophobicContact CG-CB 4.2Å; M110-V193 HydrophobicContact CE-CG1 3.42Å; M110-V193 VanDerWaalsContact CE-CG1 3.42Å; M110-N197 HydrophobicContact CE-CB 4.42Å; M110-N197 HydrophobicContact SD-CB 3.48Å; M110-N197 WeakPolarHBondContact SD-CB 3.31Å |
| 111 | A | 96.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -61.8 | -44.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | T70 F107 G109 I113 G114 L115 W149 A152 | T70-A111 HydrophobicContact CG2-CB 3.63Å; F107-A111 VanDerWaalsContact O-CB 3.32Å; F107-A111 WeakPolarHBondContact O-CB 3.27Å; F107-A111 PolarHBondContact O-N 3.21Å; G109-A111 PolarHBondContact O-N 2.98Å; A111-I113 PolarHBondContact O-N 2.98Å; A111-G114 PolarHBondContact O-N 2.72Å; A111-L115 WeakPolarHBondContact O-CB 3.33Å; A111-L115 WeakPolarHBondContact O-CG 3.39Å; A111-L115 PolarHBondContact O-N 3.2Å; A111-W149 HydrophobicContact CB-CE3 4.06Å; A111-W149 HydrophobicContact CB-CZ3 4.07Å; A111-A152 HydrophobicContact CB-CB 3.72Å |
| 112 | S | 94.1 | Very high | 93.5 | Very high | 4 Ų | 4 | 14.5 Ų | 14.5 | 3% | 0.028 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -60 | -46.4 | 178.1 | -172.2 | 0 | 0 | 0 | 0 | 112 | L67 F108 G109 M110 G114 L115 L116 N290 | L67-S112 WeakPolarHBondContact CD1-O 3.43Å; L67-S112 WeakPolarHBondContact CD1-OG 3.5Å; F108-S112 VanDerWaalsContact O-CB 3.23Å; F108-S112 WeakPolarHBondContact O-CB 3.25Å; F108-S112 PolarHBondContact O-N 3.23Å; G109-S112 WeakPolarHBondContact O-CB 3.28Å; G109-S112 PolarHBondContact O-N 3.05Å; M110-S112 VanDerWaalsContact C-N 3.34Å; S112-G114 PolarHBondContact O-N 3.18Å; S112-L115 PolarHBondContact O-N 2.82Å; S112-L116 WeakPolarHBondContact O-CB 3.2Å; S112-L116 WeakPolarHBondContact O-CG 3.41Å; S112-L116 PolarHBondContact O-N 3.18Å; S112-N290 PolarHBondContact OG-ND2 3.19Å |
| 113 | I | 93.4 | Very high | 93.2 | Very high | 5 Ų | 5 | 18 Ų | 18 | 3% | 0.026 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -61.6 | -45.6 | 176 | -63 | 165.2 | 0 | 0 | 0 | 111.6 | G109 M110 A111 L115 L116 T117 N197 P201 F249 W253 | G109-I113 WeakPolarHBondContact O-CG1 3.32Å; G109-I113 PolarHBondContact O-N 3.3Å; M110-I113 PolarHBondContact O-N 3.43Å; M110-I113 HydrophobicContact SD-CD1 4.37Å; A111-I113 PolarHBondContact O-N 2.98Å; I113-L115 PolarHBondContact O-N 3.34Å; I113-L116 PolarHBondContact O-N 3.29Å; I113-T117 PolarHBondContact O-N 2.86Å; I113-T117 PolarHBondContact O-OG1 2.88Å; I113-N197 VanDerWaalsContact CG2-O 3.3Å; I113-N197 WeakPolarHBondContact CG2-O 3.49Å; I113-P201 HydrophobicContact CG2-CB 3.71Å; I113-P201 HydrophobicContact CG2-CG 3.77Å; I113-F249 HydrophobicContact CB-CE2 4.38Å; I113-F249 HydrophobicContact CG1-CE2 4.06Å; I113-F249 HydrophobicContact CG2-CE2 3.75Å; I113-F249 HydrophobicContact CG2-CZ 4.11Å; I113-W253 HydrophobicContact CD1-CD2 3.84Å; I113-W253 HydrophobicContact CD1-CE3 3.91Å; I113-W253 HydrophobicContact CD1-CH2 3.98Å; I113-W253 HydrophobicContact CD1-CZ2 3.91Å; I113-W253 HydrophobicContact CD1-CZ3 3.98Å; I113-W253 HydrophobicContact CG1-CD2 4.17Å; I113-W253 HydrophobicContact CG1-CH2 4.33Å; I113-W253 HydrophobicContact CG1-CZ2 3.78Å |
| 114 | G | 94.9 | Very high | 92.8 | Very high | 15 Ų | 15 | 19.1 Ų | 19.1 | 16% | 0.155 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -58.6 | -47.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | M110 A111 S112 L116 T117 V118 | M110-G114 PolarHBondContact O-N 2.91Å; A111-G114 PolarHBondContact O-N 2.72Å; S112-G114 PolarHBondContact O-N 3.18Å; G114-L116 PolarHBondContact O-N 2.91Å; G114-T117 VanDerWaalsContact O-CB 3.31Å; G114-T117 WeakPolarHBondContact O-CB 3.48Å; G114-T117 PolarHBondContact O-N 3.28Å; G114-T117 VanDerWaalsContact O-N 3.17Å; G114-V118 WeakPolarHBondContact O-CG2 3.27Å; G114-V118 PolarHBondContact O-N 3.48Å |
| 115 | L | 93.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -63.6 | -41.1 | 178.4 | -69.1 | 167.8 | 0 | 0 | 0 | 112.3 | I63 N66 L67 T70 A111 S112 I113 T117 V118 V119 I145 A148 | I63-L115 HydrophobicContact CG2-CB 4.23Å; I63-L115 HydrophobicContact CG2-CD2 4.09Å; N66-L115 HydrophobicContact CB-CD1 3.75Å; N66-L115 HydrophobicContact CB-CD2 3.95Å; L67-L115 HydrophobicContact CB-CD1 4.36Å; L67-L115 HydrophobicContact CD1-CB 3.66Å; L67-L115 HydrophobicContact CD1-CD1 4.16Å; T70-L115 HydrophobicContact CG2-CD1 3.97Å; A111-L115 WeakPolarHBondContact O-CB 3.33Å; A111-L115 WeakPolarHBondContact O-CG 3.39Å; A111-L115 PolarHBondContact O-N 3.2Å; S112-L115 PolarHBondContact O-N 2.82Å; I113-L115 PolarHBondContact O-N 3.34Å; L115-T117 VanDerWaalsContact C-N 3.26Å; L115-T117 PolarHBondContact O-N 2.98Å; L115-V118 WeakPolarHBondContact O-CB 3.5Å; L115-V118 PolarHBondContact O-N 2.96Å; L115-V118 VanDerWaalsContact O-N 3.12Å; L115-V119 WeakPolarHBondContact O-CG2 3.19Å; L115-V119 PolarHBondContact O-N 3.03Å; L115-I145 HydrophobicContact CD2-CB 4.4Å; L115-I145 HydrophobicContact CD2-CG1 3.98Å; L115-I145 HydrophobicContact CD2-CG2 4.23Å; L115-A148 HydrophobicContact CD2-CB 4.35Å; L115-A148 HydrophobicContact CG-CB 4.3Å |
| 116 | L | 90.9 | Very high | 92.1 | Very high | 6 Ų | 6 | 19 Ų | 19 | 3% | 0.031 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -59 | -38.6 | 173.5 | -77.4 | 169 | 0 | 0 | 0 | 112.1 | L67 S112 I113 G114 V119 A120 M205 M245 F249 Y294 | L67-L116 HydrophobicContact CD1-CG 4.14Å; S112-L116 WeakPolarHBondContact O-CB 3.2Å; S112-L116 WeakPolarHBondContact O-CG 3.41Å; S112-L116 PolarHBondContact O-N 3.18Å; I113-L116 PolarHBondContact O-N 3.29Å; G114-L116 PolarHBondContact O-N 2.91Å; L116-V119 WeakPolarHBondContact O-CB 3.33Å; L116-V119 PolarHBondContact O-N 3.19Å; L116-A120 PolarHBondContact O-N 3.25Å; L116-A120 VanDerWaalsContact O-N 3.08Å; L116-M205 HydrophobicContact CB-CE 3.99Å; L116-M245 HydrophobicContact CD2-CE 4.46Å; L116-F249 HydrophobicContact CD1-CD2 4.36Å; L116-Y294 WeakPolarHBondContact CD2-OH 3.46Å |
| 117 | T | 93.1 | Very high | 91.5 | Very high | 17 Ų | 17 | 19.5 Ų | 19.5 | 10% | 0.104 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -63.9 | -43.4 | 174.4 | -52.4 | 0 | 0 | 0 | 0 | 111 | I113 G114 L115 V119 A120 I121 P201 V204 | I113-T117 PolarHBondContact O-N 2.86Å; I113-T117 PolarHBondContact O-OG1 2.88Å; G114-T117 VanDerWaalsContact O-CB 3.31Å; G114-T117 WeakPolarHBondContact O-CB 3.48Å; G114-T117 PolarHBondContact O-N 3.28Å; G114-T117 VanDerWaalsContact O-N 3.17Å; L115-T117 VanDerWaalsContact C-N 3.26Å; L115-T117 PolarHBondContact O-N 2.98Å; T117-V119 VanDerWaalsContact C-N 3.31Å; T117-V119 PolarHBondContact O-N 3.42Å; T117-A120 WeakPolarHBondContact O-CB 3.47Å; T117-A120 PolarHBondContact O-N 3.3Å; T117-A120 VanDerWaalsContact O-N 3.12Å; T117-I121 HydrophobicContact CG2-CD1 4.34Å; T117-I121 WeakPolarHBondContact O-CG1 3.28Å; T117-I121 PolarHBondContact O-N 3.5Å; T117-P201 WeakPolarHBondContact OG1-CB 3.26Å; T117-V204 HydrophobicContact CG2-CB 3.94Å; T117-V204 HydrophobicContact CG2-CG1 3.63Å |
| 118 | V | 92.8 | Very high | 91 | Very high | 11 Ų | 11 | 18.9 Ų | 18.9 | 7% | 0.067 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -63.2 | -37.3 | 175.8 | -177.5 | 0 | 0 | 0 | 0 | 111.2 | I63 G114 L115 A120 I121 D122 F144 | I63-V118 HydrophobicContact CD1-CG1 3.65Å; I63-V118 HydrophobicContact CG1-CG1 4.11Å; G114-V118 WeakPolarHBondContact O-CG2 3.27Å; G114-V118 PolarHBondContact O-N 3.48Å; L115-V118 WeakPolarHBondContact O-CB 3.5Å; L115-V118 PolarHBondContact O-N 2.96Å; L115-V118 VanDerWaalsContact O-N 3.12Å; V118-A120 VanDerWaalsContact C-N 3.33Å; V118-A120 PolarHBondContact O-N 3.21Å; V118-I121 PolarHBondContact O-N 3.11Å; V118-D122 WeakPolarHBondContact O-CB 3.3Å; V118-D122 PolarHBondContact O-N 3.2Å; V118-F144 HydrophobicContact CB-CB 4.49Å; V118-F144 HydrophobicContact CG1-CB 3.7Å; V118-F144 HydrophobicContact CG1-CD2 4.34Å; V118-F144 HydrophobicContact CG1-CG 4.28Å; V118-F144 HydrophobicContact CG2-CB 3.83Å |
| 119 | V | 89.2 | Confident | 90.5 | Very high | 14 Ų | 14 | 24.6 Ų | 24.6 | 9% | 0.085 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -59.6 | -44.1 | 172.5 | 176.2 | 0 | 0 | 0 | 0 | 110.9 | I63 L115 L116 T117 I121 D122 R123 M245 Y294 | I63-V119 HydrophobicContact CB-CG2 4.31Å; I63-V119 HydrophobicContact CG2-CG2 3.5Å; L115-V119 WeakPolarHBondContact O-CG2 3.19Å; L115-V119 PolarHBondContact O-N 3.03Å; L116-V119 WeakPolarHBondContact O-CB 3.33Å; L116-V119 PolarHBondContact O-N 3.19Å; T117-V119 VanDerWaalsContact C-N 3.31Å; T117-V119 PolarHBondContact O-N 3.42Å; V119-I121 PolarHBondContact O-N 3.45Å; V119-D122 PolarHBondContact O-N 2.71Å; V119-R123 WeakPolarHBondContact O-CG 3.5Å; V119-R123 PolarHBondContact O-N 3.17Å; V119-M245 HydrophobicContact CG1-CE 3.86Å; V119-Y294 HydrophobicContact CG2-CE1 4.37Å |
| 120 | A | 89.7 | Confident | 90.1 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.8 | -42.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L116 T117 V118 R123 Y124 M205 C208 Y209 | L116-A120 PolarHBondContact O-N 3.25Å; L116-A120 VanDerWaalsContact O-N 3.08Å; T117-A120 WeakPolarHBondContact O-CB 3.47Å; T117-A120 PolarHBondContact O-N 3.3Å; T117-A120 VanDerWaalsContact O-N 3.12Å; V118-A120 VanDerWaalsContact C-N 3.33Å; V118-A120 PolarHBondContact O-N 3.21Å; A120-R123 PolarHBondContact O-N 3.46Å; A120-Y124 PolarHBondContact O-N 2.95Å; A120-M205 HydrophobicContact CB-CB 4.29Å; A120-M205 HydrophobicContact CB-CG 3.86Å; A120-C208 HydrophobicContact CB-CB 4.14Å; A120-Y209 HydrophobicContact CB-CD2 4.34Å; A120-Y209 HydrophobicContact CB-CE1 4.33Å; A120-Y209 HydrophobicContact CB-CE2 3.66Å |
| 121 | I | 91.8 | Very high | 89.7 | Confident | 42 Ų | 42 | 28.2 Ų | 28.2 | 22% | 0.215 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.1 | -47.3 | 175.4 | -66.3 | 167.5 | 0 | 0 | 0 | 110.8 | T117 V118 V119 R123 Y124 L125 V204 | T117-I121 HydrophobicContact CG2-CD1 4.34Å; T117-I121 WeakPolarHBondContact O-CG1 3.28Å; T117-I121 PolarHBondContact O-N 3.5Å; V118-I121 PolarHBondContact O-N 3.11Å; V119-I121 PolarHBondContact O-N 3.45Å; I121-R123 VanDerWaalsContact C-N 3.32Å; I121-R123 PolarHBondContact O-N 2.99Å; I121-Y124 WeakPolarHBondContact O-CB 3.48Å; I121-Y124 PolarHBondContact O-N 3.39Å; I121-L125 HydrophobicContact CG2-CD1 3.81Å; I121-L125 HydrophobicContact CG2-CG 4.18Å; I121-L125 WeakPolarHBondContact O-CG 3.46Å; I121-L125 PolarHBondContact O-N 3.37Å; I121-V204 HydrophobicContact CD1-CG1 4.09Å; I121-V204 HydrophobicContact CG1-CG1 3.9Å |
| 122 | D | 88.2 | Confident | 89.3 | Confident | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.011 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -56 | -45.4 | 177 | 167.9 | 92.9 | 0 | 0 | 0 | 111.9 | T60 I63 V118 V119 L125 T126 Y141 | T60-D122 WeakPolarHBondContact CB-OD1 3.28Å; T60-D122 HydrophobicContact CG2-CB 4.5Å; T60-D122 WeakPolarHBondContact CG2-OD1 3.38Å; T60-D122 WeakPolarHBondContact CG2-OD2 3.46Å; T60-D122 PolarHBondContact OG1-OD1 2.97Å; I63-D122 HydrophobicContact CD1-CB 4.3Å; V118-D122 WeakPolarHBondContact O-CB 3.3Å; V118-D122 PolarHBondContact O-N 3.2Å; V119-D122 PolarHBondContact O-N 2.71Å; D122-L125 PolarHBondContact O-N 3.2Å; D122-T126 VanDerWaalsContact O-CB 3.32Å; D122-T126 WeakPolarHBondContact O-CB 3.46Å; D122-T126 PolarHBondContact O-N 2.8Å; D122-T126 PolarHBondContact O-OG1 3.35Å; D122-Y141 HydrophobicContact CB-CE1 4.12Å; D122-Y141 VanDerWaalsContact OD1-CE1 3.32Å; D122-Y141 WeakPolarHBondContact OD1-CE1 3.44Å; D122-Y141 PolarHBondContact OD1-OH 2.96Å |
| 123 | R | 86.6 | Confident | 88.9 | Confident | 75 Ų | 75 | 33.4 Ų | 33.4 | 28% | 0.283 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -61.7 | -45.6 | 177.1 | -69.8 | -58.4 | 95.9 | -164.8 | 8.8 | 111.5 | V119 A120 I121 T126 I127 Y209 | V119-R123 WeakPolarHBondContact O-CG 3.5Å; V119-R123 PolarHBondContact O-N 3.17Å; A120-R123 PolarHBondContact O-N 3.46Å; I121-R123 VanDerWaalsContact C-N 3.32Å; I121-R123 PolarHBondContact O-N 2.99Å; R123-T126 PolarHBondContact O-N 3.19Å; R123-I127 WeakPolarHBondContact O-CB 2.92Å; R123-I127 WeakPolarHBondContact O-CG1 3.17Å; R123-I127 PolarHBondContact O-N 3.23Å; R123-I127 VanDerWaalsContact O-N 3.09Å; R123-Y209 HydrophobicContact CB-CE1 4.29Å; R123-Y209 HydrophobicContact CG-CE1 4.36Å |
| 124 | Y | 88.8 | Confident | 88.4 | Confident | 35 Ų | 35 | 41 Ų | 41 | 14% | 0.137 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.3 | -48.1 | 176.3 | 168.5 | -98.7 | 0 | 0 | 0 | 112 | A120 I121 T126 I127 C128 R129 Y207 C208 N211 | A120-Y124 PolarHBondContact O-N 2.95Å; I121-Y124 WeakPolarHBondContact O-CB 3.48Å; I121-Y124 PolarHBondContact O-N 3.39Å; Y124-T126 VanDerWaalsContact C-N 3.33Å; Y124-T126 PolarHBondContact O-N 3.5Å; Y124-I127 PolarHBondContact O-N 3.44Å; Y124-C128 HydrophobicContact CD2-CB 3.72Å; Y124-C128 HydrophobicContact CE2-CB 3.59Å; Y124-C128 HydrophobicContact CG-CB 4.46Å; Y124-C128 WeakPolarHBondContact O-CA 3.37Å; Y124-C128 VanDerWaalsContact O-CB 3.26Å; Y124-C128 WeakPolarHBondContact O-CB 3.41Å; Y124-C128 PolarHBondContact O-N 3.43Å; Y124-R129 HydrophobicContact CE1-CG 3.95Å; Y124-Y207 HydrophobicContact CE2-CE1 4.41Å; Y124-C208 HydrophobicContact CG-CB 4.43Å; Y124-N211 HydrophobicContact CD2-CB 3.81Å; Y124-N211 HydrophobicContact CE2-CB 3.62Å |
| 125 | L | 89.9 | Confident | 88.1 | Confident | 21 Ų | 21 | 48.6 Ų | 48.6 | 11% | 0.11 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.3 | -42.1 | -180 | -67.8 | 177 | 0 | 0 | 0 | 111.4 | I121 D122 I127 R129 I132 S133 M136 | I121-L125 HydrophobicContact CG2-CD1 3.81Å; I121-L125 HydrophobicContact CG2-CG 4.18Å; I121-L125 WeakPolarHBondContact O-CG 3.46Å; I121-L125 PolarHBondContact O-N 3.37Å; D122-L125 PolarHBondContact O-N 3.2Å; L125-I127 PolarHBondContact O-N 2.81Å; L125-R129 HydrophobicContact CD2-CB 4.33Å; L125-R129 CarbonylContact O-C 3.57Å; L125-R129 WeakPolarHBondContact O-CA 3.34Å; L125-R129 PolarHBondContact O-N 2.89Å; L125-I132 HydrophobicContact CD2-CG2 4.14Å; L125-S133 WeakPolarHBondContact O-CB 3.33Å; L125-M136 HydrophobicContact CD1-SD 3.39Å; L125-M136 WeakPolarHBondContact CD1-SD 3.4Å |
| 126 | T | 84.3 | Confident | 87.7 | Confident | 51 Ų | 51 | 50.4 Ų | 50.4 | 31% | 0.313 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64.8 | -39.1 | -179.5 | -58.2 | 0 | 0 | 0 | 0 | 112.7 | D122 R123 Y124 | D122-T126 VanDerWaalsContact O-CB 3.32Å; D122-T126 WeakPolarHBondContact O-CB 3.46Å; D122-T126 PolarHBondContact O-N 2.8Å; D122-T126 PolarHBondContact O-OG1 3.35Å; R123-T126 PolarHBondContact O-N 3.19Å; Y124-T126 VanDerWaalsContact C-N 3.33Å; Y124-T126 PolarHBondContact O-N 3.5Å |
| 127 | I | 83.1 | Confident | 87.5 | Confident | 31 Ų | 31 | 53.8 Ų | 53.8 | 16% | 0.159 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -96.6 | -47 | -172 | -62.6 | 167.9 | 0 | 0 | 0 | 112.1 | R123 Y124 L125 V212 T215 V216 V238 | R123-I127 WeakPolarHBondContact O-CB 2.92Å; R123-I127 WeakPolarHBondContact O-CG1 3.17Å; R123-I127 PolarHBondContact O-N 3.23Å; R123-I127 VanDerWaalsContact O-N 3.09Å; Y124-I127 PolarHBondContact O-N 3.44Å; L125-I127 PolarHBondContact O-N 2.81Å; I127-V212 HydrophobicContact CB-CG2 4.47Å; I127-V212 HydrophobicContact CD1-CG1 3.7Å; I127-V212 HydrophobicContact CD1-CG2 4.34Å; I127-V212 HydrophobicContact CG2-CG1 4.45Å; I127-T215 HydrophobicContact CG2-CG2 4.16Å; I127-V216 HydrophobicContact CG2-CG2 4.1Å; I127-V238 HydrophobicContact CD1-CG1 3.64Å |
| 128 | C | 85.6 | Confident | 87.2 | Confident | 22 Ų | 22 | 55.7 Ų | 55.7 | 15% | 0.149 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -89.3 | -25.9 | -173.9 | -58.6 | 0 | 0 | 0 | 0 | 112.7 | Y124 N211 V212 T215 | Y124-C128 HydrophobicContact CD2-CB 3.72Å; Y124-C128 HydrophobicContact CE2-CB 3.59Å; Y124-C128 HydrophobicContact CG-CB 4.46Å; Y124-C128 WeakPolarHBondContact O-CA 3.37Å; Y124-C128 VanDerWaalsContact O-CB 3.26Å; Y124-C128 WeakPolarHBondContact O-CB 3.41Å; Y124-C128 PolarHBondContact O-N 3.43Å; C128-N211 VanDerWaalsContact SG-C 3.54Å; C128-N211 PolarHBondContact SG-O 3.23Å; C128-V212 VanDerWaalsContact SG-CA 3.58Å; C128-T215 PolarHBondContact SG-OG1 3.5Å |
| 129 | R | 87.2 | Confident | 87 | Confident | 137 Ų | 137 | 64.5 Ų | 64.5 | 52% | 0.517 | 33% | 0.326 | S | S | . | . | trans | -134.8 | 58.3 | -174 | -58.5 | -61 | -128.1 | -178 | 3.4 | 112.8 | Y124 L125 G131 I132 S133 | Y124-R129 HydrophobicContact CE1-CG 3.95Å; L125-R129 HydrophobicContact CD2-CB 4.33Å; L125-R129 CarbonylContact O-C 3.57Å; L125-R129 WeakPolarHBondContact O-CA 3.34Å; L125-R129 PolarHBondContact O-N 2.89Å; R129-G131 VanDerWaalsContact C-N 3.28Å; R129-G131 PolarHBondContact O-N 2.99Å; R129-G131 VanDerWaalsContact O-N 3.15Å; R129-I132 HydrophobicContact CB-CB 4.3Å; R129-I132 HydrophobicContact CB-CD1 4.14Å; R129-I132 HydrophobicContact CB-CG1 4.37Å; R129-I132 HydrophobicContact CG-CD1 4.45Å; R129-I132 PolarHBondContact O-N 3.49Å; R129-S133 PolarHBondContact O-N 3.45Å; R129-S133 VanDerWaalsContact O-N 3.1Å | ||
| 130 | P | 84.5 | Confident | 87.1 | Confident | 61 Ų | 61 | 65.5 Ų | 65.5 | 40% | 0.396 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -57.8 | -35 | -172.5 | 22.6 | -34 | 0 | 0 | 0 | 114 | I132 S133 Q134 | P130-I132 VanDerWaalsContact C-N 3.28Å; P130-I132 PolarHBondContact O-N 3.35Å; P130-S133 PolarHBondContact O-N 3.01Å; P130-Q134 WeakPolarHBondContact O-CG 3.24Å; P130-Q134 PolarHBondContact O-N 3.21Å |
| 131 | G | 86.1 | Confident | 87.1 | Confident | 43 Ų | 43 | 66 Ų | 66 | 44% | 0.443 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65.6 | -26.5 | 177 | 0 | 0 | 0 | 0 | 0 | 114.4 | R129 | R129-G131 VanDerWaalsContact C-N 3.28Å; R129-G131 PolarHBondContact O-N 2.99Å; R129-G131 VanDerWaalsContact O-N 3.15Å |
| 132 | I | 86.9 | Confident | 87 | Confident | 87 Ų | 87 | 67.7 Ų | 67.7 | 45% | 0.446 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -80.8 | -43.5 | 171.7 | -60.2 | 177.2 | 0 | 0 | 0 | 109.5 | L125 R129 P130 Q134 K135 M136 | L125-I132 HydrophobicContact CD2-CG2 4.14Å; R129-I132 HydrophobicContact CB-CB 4.3Å; R129-I132 HydrophobicContact CB-CD1 4.14Å; R129-I132 HydrophobicContact CB-CG1 4.37Å; R129-I132 HydrophobicContact CG-CD1 4.45Å; R129-I132 PolarHBondContact O-N 3.49Å; P130-I132 VanDerWaalsContact C-N 3.28Å; P130-I132 PolarHBondContact O-N 3.35Å; I132-Q134 VanDerWaalsContact C-N 3.27Å; I132-Q134 PolarHBondContact O-N 3.48Å; I132-K135 PolarHBondContact O-N 2.89Å; I132-M136 WeakPolarHBondContact O-CG 3.11Å; I132-M136 PolarHBondContact O-N 3.02Å |
| 133 | S | 85.6 | Confident | 87.3 | Confident | 26 Ų | 26 | 72.4 Ų | 72.4 | 18% | 0.182 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -54.9 | -41.9 | 177.3 | -177.5 | 0 | 0 | 0 | 0 | 112.3 | L125 R129 P130 K135 M136 | L125-S133 WeakPolarHBondContact O-CB 3.33Å; R129-S133 PolarHBondContact O-N 3.45Å; R129-S133 VanDerWaalsContact O-N 3.1Å; P130-S133 PolarHBondContact O-N 3.01Å; S133-K135 PolarHBondContact O-N 3.33Å; S133-M136 WeakPolarHBondContact O-CB 3.41Å; S133-M136 PolarHBondContact O-N 2.89Å |
| 134 | Q | 83.9 | Confident | 87.7 | Confident | 166 Ų | 166 | 72.3 Ų | 72.3 | 78% | 0.776 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -27.5 | 176.4 | -75 | 177.3 | -6.3 | 0 | 0 | 114.1 | P130 I132 | P130-Q134 WeakPolarHBondContact O-CG 3.24Å; P130-Q134 PolarHBondContact O-N 3.21Å; I132-Q134 VanDerWaalsContact C-N 3.27Å; I132-Q134 PolarHBondContact O-N 3.48Å |
| 135 | K | 87.4 | Confident | 88 | Confident | 173 Ų | 173 | 71 Ų | 71 | 75% | 0.752 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -11.3 | 176.1 | -63.7 | -180 | -176.9 | -176.1 | 0 | 112.5 | I132 S133 T137 | I132-K135 PolarHBondContact O-N 2.89Å; S133-K135 PolarHBondContact O-N 3.33Å; K135-T137 PolarHBondContact O-N 3.04Å |
| 136 | M | 86.3 | Confident | 88.3 | Confident | 39 Ų | 39 | 74.7 Ų | 74.7 | 19% | 0.192 | 39% | 0.385 | C | S | . | . | trans | -73.5 | 124.2 | 179.7 | -64 | -135.8 | 74.7 | 0 | 0 | 110.4 | L125 I132 S133 Y141 F144 | L125-M136 HydrophobicContact CD1-SD 3.39Å; L125-M136 WeakPolarHBondContact CD1-SD 3.4Å; I132-M136 WeakPolarHBondContact O-CG 3.11Å; I132-M136 PolarHBondContact O-N 3.02Å; S133-M136 WeakPolarHBondContact O-CB 3.41Å; S133-M136 PolarHBondContact O-N 2.89Å; M136-Y141 HydrophobicContact CB-CE2 3.82Å; M136-F144 HydrophobicContact CE-CE2 3.66Å; M136-F144 HydrophobicContact CE-CZ 4.36Å; M136-F144 HydrophobicContact SD-CE2 4.46Å | ||
| 137 | T | 87.4 | Confident | 88.8 | Confident | 76 Ų | 76 | 74.9 Ų | 74.9 | 47% | 0.466 | 39% | 0.393 | S | S | . | . | trans | -103 | 167.6 | 178.5 | 65.2 | 0 | 0 | 0 | 0 | 110.5 | K135 R139 S140 Y141 | K135-T137 PolarHBondContact O-N 3.04Å; T137-R139 PolarHBondContact O-N 3.46Å; T137-R139 VanDerWaalsContact O-N 3.16Å; T137-R139 PolarHBondContact OG1-N 2.78Å; T137-S140 WeakPolarHBondContact O-CB 2.93Å; T137-S140 PolarHBondContact O-N 3.1Å; T137-S140 PolarHBondContact OG1-OG 2.96Å; T137-Y141 WeakPolarHBondContact O-CD2 3.3Å; T137-Y141 PolarHBondContact O-N 3.1Å | ||
| 138 | A | 86.3 | Confident | 89.5 | Confident | 57 Ų | 57 | 73.8 Ų | 73.8 | 47% | 0.471 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -54.1 | -33.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | A59 S140 Y141 N142 | A59-A138 HydrophobicContact CB-CB 4.24Å; A138-S140 VanDerWaalsContact C-N 3.34Å; A138-S140 PolarHBondContact O-N 3.08Å; A138-Y141 PolarHBondContact O-N 3.43Å; A138-N142 WeakPolarHBondContact O-CB 3.3Å; A138-N142 VanDerWaalsContact O-CG 3.27Å; A138-N142 PolarHBondContact O-N 3.36Å; A138-N142 PolarHBondContact O-ND2 3.26Å |
| 139 | R | 89.1 | Confident | 90.1 | Very high | 197 Ų | 197 | 74.8 Ų | 74.8 | 74% | 0.743 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -62 | -41.9 | 175.7 | -171.4 | 176.8 | -175.8 | 170.9 | 1.7 | 111.9 | T137 N142 I143 | T137-R139 PolarHBondContact O-N 3.46Å; T137-R139 VanDerWaalsContact O-N 3.16Å; T137-R139 PolarHBondContact OG1-N 2.78Å; R139-N142 PolarHBondContact O-N 2.81Å; R139-I143 HydrophobicContact CG-CD1 4.47Å; R139-I143 WeakPolarHBondContact O-CG1 3.36Å; R139-I143 PolarHBondContact O-N 2.95Å |
| 140 | S | 90 | Very high | 90.6 | Very high | 35 Ų | 35 | 73.2 Ų | 73.2 | 25% | 0.245 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -63.8 | -43.3 | 178.8 | -48.6 | 0 | 0 | 0 | 0 | 111.8 | T137 A138 I143 F144 | T137-S140 WeakPolarHBondContact O-CB 2.93Å; T137-S140 PolarHBondContact O-N 3.1Å; T137-S140 PolarHBondContact OG1-OG 2.96Å; A138-S140 VanDerWaalsContact C-N 3.34Å; A138-S140 PolarHBondContact O-N 3.08Å; S140-I143 PolarHBondContact O-N 3.3Å; S140-F144 WeakPolarHBondContact O-CD2 3.41Å; S140-F144 PolarHBondContact O-N 3.02Å |
| 141 | Y | 89.8 | Confident | 91.2 | Very high | 11 Ų | 11 | 72.5 Ų | 72.5 | 4% | 0.043 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -65.7 | -38.8 | 175.1 | -72.6 | -76.4 | 0 | 0 | 0 | 112.6 | A59 I63 D122 M136 T137 A138 I143 F144 I145 | A59-Y141 HydrophobicContact CB-CD2 3.52Å; A59-Y141 HydrophobicContact CB-CE2 4.01Å; A59-Y141 HydrophobicContact CB-CG 4.22Å; I63-Y141 HydrophobicContact CD1-CD1 3.96Å; I63-Y141 HydrophobicContact CD1-CE1 4.29Å; D122-Y141 HydrophobicContact CB-CE1 4.12Å; D122-Y141 VanDerWaalsContact OD1-CE1 3.32Å; D122-Y141 WeakPolarHBondContact OD1-CE1 3.44Å; D122-Y141 PolarHBondContact OD1-OH 2.96Å; M136-Y141 HydrophobicContact CB-CE2 3.82Å; T137-Y141 WeakPolarHBondContact O-CD2 3.3Å; T137-Y141 PolarHBondContact O-N 3.1Å; A138-Y141 PolarHBondContact O-N 3.43Å; Y141-I143 VanDerWaalsContact C-N 3.27Å; Y141-I143 PolarHBondContact O-N 3.46Å; Y141-F144 PolarHBondContact O-N 3.48Å; Y141-I145 WeakPolarHBondContact O-CG1 3.5Å; Y141-I145 PolarHBondContact O-N 3.31Å |
| 142 | N | 90.9 | Very high | 91.8 | Very high | 76 Ų | 76 | 70.4 Ų | 70.4 | 41% | 0.406 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.4 | -34 | 175.1 | -74.3 | -23 | 0 | 0 | 0 | 112.4 | A138 R139 L146 | A138-N142 WeakPolarHBondContact O-CB 3.3Å; A138-N142 VanDerWaalsContact O-CG 3.27Å; A138-N142 PolarHBondContact O-N 3.36Å; A138-N142 PolarHBondContact O-ND2 3.26Å; R139-N142 PolarHBondContact O-N 2.81Å; N142-L146 WeakPolarHBondContact O-CB 3.44Å; N142-L146 PolarHBondContact O-N 3.34Å |
| 143 | I | 93.9 | Very high | 92.3 | Very high | 102 Ų | 102 | 69.7 Ų | 69.7 | 52% | 0.523 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.3 | -45.4 | 174.1 | -68.7 | 164.3 | 0 | 0 | 0 | 110.6 | R139 S140 Y141 L146 A147 | R139-I143 HydrophobicContact CG-CD1 4.47Å; R139-I143 WeakPolarHBondContact O-CG1 3.36Å; R139-I143 PolarHBondContact O-N 2.95Å; S140-I143 PolarHBondContact O-N 3.3Å; Y141-I143 VanDerWaalsContact C-N 3.27Å; Y141-I143 PolarHBondContact O-N 3.46Å; I143-L146 PolarHBondContact O-N 3.26Å; I143-A147 WeakPolarHBondContact O-CB 3.47Å; I143-A147 PolarHBondContact O-N 3.46Å |
| 144 | F | 94.1 | Very high | 92.9 | Very high | 72 Ų | 72 | 72.6 Ų | 72.6 | 32% | 0.316 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.4 | -42.8 | 177.1 | -68.2 | -48.2 | 0 | 0 | 0 | 112.7 | V118 M136 S140 Y141 A147 A148 | V118-F144 HydrophobicContact CB-CB 4.49Å; V118-F144 HydrophobicContact CG1-CB 3.7Å; V118-F144 HydrophobicContact CG1-CD2 4.34Å; V118-F144 HydrophobicContact CG1-CG 4.28Å; V118-F144 HydrophobicContact CG2-CB 3.83Å; M136-F144 HydrophobicContact CE-CE2 3.66Å; M136-F144 HydrophobicContact CE-CZ 4.36Å; M136-F144 HydrophobicContact SD-CE2 4.46Å; S140-F144 WeakPolarHBondContact O-CD2 3.41Å; S140-F144 PolarHBondContact O-N 3.02Å; Y141-F144 PolarHBondContact O-N 3.48Å; F144-A147 PolarHBondContact O-N 3.26Å; F144-A148 PolarHBondContact O-N 3.46Å; F144-A148 VanDerWaalsContact O-N 3.08Å |
| 145 | I | 94.9 | Very high | 93.5 | Very high | 7 Ų | 7 | 65.3 Ų | 65.3 | 4% | 0.036 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.1 | -47.2 | 176.7 | -70.4 | 166 | 0 | 0 | 0 | 110.1 | F62 I63 N66 L115 Y141 A147 A148 W149 | F62-I145 HydrophobicContact CB-CD1 4.46Å; F62-I145 HydrophobicContact CD1-CD1 3.59Å; F62-I145 HydrophobicContact CE1-CD1 4.35Å; F62-I145 HydrophobicContact CG-CD1 4.46Å; I63-I145 HydrophobicContact CG1-CD1 3.98Å; I63-I145 HydrophobicContact CG1-CG1 4.2Å; N66-I145 HydrophobicContact CB-CG2 4.45Å; N66-I145 WeakPolarHBondContact OD1-CG2 3.43Å; L115-I145 HydrophobicContact CD2-CB 4.4Å; L115-I145 HydrophobicContact CD2-CG1 3.98Å; L115-I145 HydrophobicContact CD2-CG2 4.23Å; Y141-I145 WeakPolarHBondContact O-CG1 3.5Å; Y141-I145 PolarHBondContact O-N 3.31Å; I145-A147 VanDerWaalsContact C-N 3.3Å; I145-A147 PolarHBondContact O-N 3.31Å; I145-A148 WeakPolarHBondContact O-CB 3.44Å; I145-A148 PolarHBondContact O-N 2.93Å; I145-A148 VanDerWaalsContact O-N 3.13Å; I145-W149 PolarHBondContact O-N 2.91Å |
| 146 | L | 96.2 | Very high | 93.9 | Very high | 99 Ų | 99 | 57.6 Ų | 57.6 | 52% | 0.518 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -59.4 | -41.7 | 177.1 | -179.3 | 62.5 | 0 | 0 | 0 | 111.4 | N142 I143 A148 W149 L150 | N142-L146 WeakPolarHBondContact O-CB 3.44Å; N142-L146 PolarHBondContact O-N 3.34Å; I143-L146 PolarHBondContact O-N 3.26Å; L146-A148 VanDerWaalsContact C-N 3.33Å; L146-A148 PolarHBondContact O-N 2.88Å; L146-W149 PolarHBondContact O-N 3.4Å; L146-L150 HydrophobicContact CD1-CD1 4.22Å; L146-L150 HydrophobicContact CD1-CD2 4.49Å; L146-L150 HydrophobicContact CD1-CG 4.05Å; L146-L150 HydrophobicContact CD2-CD1 4.49Å; L146-L150 HydrophobicContact CG-CD1 3.92Å; L146-L150 HydrophobicContact CG-CG 4.19Å; L146-L150 WeakPolarHBondContact O-CB 3.25Å; L146-L150 VanDerWaalsContact O-CG 3.29Å; L146-L150 WeakPolarHBondContact O-CG 3.3Å; L146-L150 PolarHBondContact O-N 2.95Å |
| 147 | A | 96.6 | Very high | 94.4 | Very high | 56 Ų | 56 | 57.5 Ų | 57.5 | 46% | 0.463 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.3 | -41.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | I143 F144 I145 L150 N151 | I143-A147 WeakPolarHBondContact O-CB 3.47Å; I143-A147 PolarHBondContact O-N 3.46Å; F144-A147 PolarHBondContact O-N 3.26Å; I145-A147 VanDerWaalsContact C-N 3.3Å; I145-A147 PolarHBondContact O-N 3.31Å; A147-L150 PolarHBondContact O-N 2.97Å; A147-N151 VanDerWaalsContact O-CB 3.23Å; A147-N151 WeakPolarHBondContact O-CB 3.4Å; A147-N151 PolarHBondContact O-N 2.76Å |
| 148 | A | 96.9 | Very high | 94.7 | Very high | 8 Ų | 8 | 55.6 Ų | 55.6 | 7% | 0.066 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.9 | -43.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L115 F144 I145 L146 A152 | L115-A148 HydrophobicContact CD2-CB 4.35Å; L115-A148 HydrophobicContact CG-CB 4.3Å; F144-A148 PolarHBondContact O-N 3.46Å; F144-A148 VanDerWaalsContact O-N 3.08Å; I145-A148 WeakPolarHBondContact O-CB 3.44Å; I145-A148 PolarHBondContact O-N 2.93Å; I145-A148 VanDerWaalsContact O-N 3.13Å; L146-A148 VanDerWaalsContact C-N 3.33Å; L146-A148 PolarHBondContact O-N 2.88Å; A148-A152 WeakPolarHBondContact O-CB 3.48Å; A148-A152 PolarHBondContact O-N 3.29Å |
| 149 | W | 97.8 | Very high | 95.1 | Very high | 43 Ų | 43 | 53.1 Ų | 53.1 | 16% | 0.163 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.2 | -44.7 | 176.2 | -75.4 | 110.1 | 0 | 0 | 0 | 112.6 | N66 F69 T70 F107 F108 A111 I145 L146 A152 V153 | N66-W149 HydrophobicContact CB-CZ2 4.45Å; N66-W149 PolarHBondContact OD1-NE1 3.39Å; F69-W149 AromaticContact CD1-CH2 3.69Å; F69-W149 HydrophobicContact CD1-CH2 3.69Å; F69-W149 HydrophobicContact CD1-CZ2 4.06Å; F69-W149 HydrophobicContact CE1-CH2 4.1Å; T70-W149 HydrophobicContact CG2-CH2 3.59Å; T70-W149 HydrophobicContact CG2-CZ2 4.03Å; T70-W149 HydrophobicContact CG2-CZ3 4.23Å; F107-W149 HydrophobicContact CE1-CE3 4.06Å; F107-W149 AromaticContact CE1-CZ3 3.51Å; F107-W149 HydrophobicContact CE1-CZ3 3.51Å; F107-W149 AromaticContact CE2-CE3 3.84Å; F107-W149 HydrophobicContact CE2-CE3 3.84Å; F107-W149 HydrophobicContact CE2-CZ3 4.14Å; F107-W149 AromaticContact CZ-CE3 3.32Å; F107-W149 HydrophobicContact CZ-CE3 3.32Å; F107-W149 AromaticContact CZ-CZ3 3.28Å; F107-W149 HydrophobicContact CZ-CZ3 3.28Å; F108-W149 HydrophobicContact CD1-CZ3 4.46Å; F108-W149 HydrophobicContact CE1-CZ3 4.47Å; A111-W149 HydrophobicContact CB-CE3 4.06Å; A111-W149 HydrophobicContact CB-CZ3 4.07Å; I145-W149 PolarHBondContact O-N 2.91Å; L146-W149 PolarHBondContact O-N 3.4Å; W149-A152 WeakPolarHBondContact O-CB 3.42Å; W149-A152 PolarHBondContact O-N 3.33Å; W149-V153 WeakPolarHBondContact O-CG2 3.36Å; W149-V153 PolarHBondContact O-N 2.98Å |
| 150 | L | 97.9 | Very high | 95.2 | Very high | 104 Ų | 104 | 48.4 Ų | 48.4 | 55% | 0.545 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64.8 | -41.3 | 178.3 | -70.4 | 177.1 | 0 | 0 | 0 | 111.6 | L146 A147 A152 V153 F154 | L146-L150 HydrophobicContact CD1-CD1 4.22Å; L146-L150 HydrophobicContact CD1-CD2 4.49Å; L146-L150 HydrophobicContact CD1-CG 4.05Å; L146-L150 HydrophobicContact CD2-CD1 4.49Å; L146-L150 HydrophobicContact CG-CD1 3.92Å; L146-L150 HydrophobicContact CG-CG 4.19Å; L146-L150 WeakPolarHBondContact O-CB 3.25Å; L146-L150 VanDerWaalsContact O-CG 3.29Å; L146-L150 WeakPolarHBondContact O-CG 3.3Å; L146-L150 PolarHBondContact O-N 2.95Å; A147-L150 PolarHBondContact O-N 2.97Å; L150-A152 VanDerWaalsContact C-N 3.29Å; L150-A152 PolarHBondContact O-N 3.03Å; L150-V153 PolarHBondContact O-N 3.06Å; L150-F154 WeakPolarHBondContact O-CB 2.83Å; L150-F154 PolarHBondContact O-N 3.15Å |
| 151 | N | 97.2 | Very high | 95.3 | Very high | 45 Ų | 45 | 51.9 Ų | 51.9 | 24% | 0.241 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.4 | -44.1 | 172.4 | 176.8 | 75.1 | 0 | 0 | 0 | 110.9 | A147 F154 W155 N197 | A147-N151 VanDerWaalsContact O-CB 3.23Å; A147-N151 WeakPolarHBondContact O-CB 3.4Å; A147-N151 PolarHBondContact O-N 2.76Å; N151-F154 WeakPolarHBondContact O-CB 3.41Å; N151-F154 PolarHBondContact O-N 3.26Å; N151-W155 PolarHBondContact O-N 3.31Å; N151-W155 VanDerWaalsContact O-N 3.07Å; N151-W155 VanDerWaalsContact OD1-CD1 3.27Å; N151-W155 PolarHBondContact OD1-NE1 3.25Å; N151-N197 PolarHBondContact ND2-OD1 3.06Å |
| 152 | A | 97.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.6 | -46.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | F107 M110 A111 A148 W149 L150 F154 W155 S156 | F107-A152 HydrophobicContact CD2-CB 3.66Å; F107-A152 HydrophobicContact CE2-CB 3.91Å; F107-A152 VanDerWaalsContact O-CB 3.28Å; F107-A152 WeakPolarHBondContact O-CB 3.42Å; M110-A152 HydrophobicContact CB-CB 3.99Å; A111-A152 HydrophobicContact CB-CB 3.72Å; A148-A152 WeakPolarHBondContact O-CB 3.48Å; A148-A152 PolarHBondContact O-N 3.29Å; W149-A152 WeakPolarHBondContact O-CB 3.42Å; W149-A152 PolarHBondContact O-N 3.33Å; L150-A152 VanDerWaalsContact C-N 3.29Å; L150-A152 PolarHBondContact O-N 3.03Å; A152-F154 VanDerWaalsContact C-N 3.29Å; A152-F154 PolarHBondContact O-N 3.11Å; A152-W155 PolarHBondContact O-N 2.83Å; A152-S156 WeakPolarHBondContact O-CB 3.01Å; A152-S156 PolarHBondContact O-N 2.8Å; A152-S156 PolarHBondContact O-OG 3.4Å; A152-S156 VanDerWaalsContact O-OG 3.06Å |
| 153 | V | 98 | Very high | 95.4 | Very high | 71 Ų | 71 | 53.8 Ų | 53.8 | 43% | 0.43 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -58.3 | -44.5 | 176.2 | 172.3 | 0 | 0 | 0 | 0 | 110.7 | F107 W149 L150 S156 S157 | F107-V153 HydrophobicContact CD2-CG2 4.16Å; F107-V153 HydrophobicContact CE2-CG2 3.53Å; F107-V153 HydrophobicContact CZ-CG2 4.44Å; W149-V153 WeakPolarHBondContact O-CG2 3.36Å; W149-V153 PolarHBondContact O-N 2.98Å; L150-V153 PolarHBondContact O-N 3.06Å; V153-S156 PolarHBondContact O-OG 2.78Å; V153-S157 VanDerWaalsContact O-CB 3.26Å; V153-S157 WeakPolarHBondContact O-CB 3.38Å; V153-S157 PolarHBondContact O-N 3.26Å; V153-S157 PolarHBondContact O-OG 3.44Å |
| 154 | F | 97.6 | Very high | 95.3 | Very high | 88 Ų | 88 | 49.3 Ų | 49.3 | 39% | 0.386 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -56.6 | -59.9 | 178.3 | 177.1 | -94.2 | 0 | 0 | 0 | 110.2 | L150 N151 A152 S156 S157 M158 W163 | L150-F154 WeakPolarHBondContact O-CB 2.83Å; L150-F154 PolarHBondContact O-N 3.15Å; N151-F154 WeakPolarHBondContact O-CB 3.41Å; N151-F154 PolarHBondContact O-N 3.26Å; A152-F154 VanDerWaalsContact C-N 3.29Å; A152-F154 PolarHBondContact O-N 3.11Å; F154-S156 VanDerWaalsContact C-N 3.33Å; F154-S156 PolarHBondContact O-N 3.03Å; F154-S157 PolarHBondContact O-N 2.97Å; F154-S157 PolarHBondContact O-OG 3.38Å; F154-M158 HydrophobicContact CD1-CG 4.34Å; F154-M158 HydrophobicContact CD2-CE 3.64Å; F154-M158 HydrophobicContact CE1-CG 4.04Å; F154-M158 HydrophobicContact CE2-CE 3.56Å; F154-M158 HydrophobicContact CE2-CG 4.29Å; F154-M158 HydrophobicContact CE2-SD 3.97Å; F154-M158 HydrophobicContact CG-CE 4.34Å; F154-M158 HydrophobicContact CZ-CE 4.21Å; F154-M158 HydrophobicContact CZ-CG 4.02Å; F154-M158 HydrophobicContact CZ-SD 4.04Å; F154-M158 VanDerWaalsContact O-CG 3.29Å; F154-M158 WeakPolarHBondContact O-CG 3.35Å; F154-M158 PolarHBondContact O-N 2.82Å; F154-M158 VanDerWaalsContact O-N 3.14Å; F154-W163 HydrophobicContact CE1-CZ3 4.22Å; F154-W163 HydrophobicContact CZ-CZ3 4.06Å |
| 155 | W | 96.7 | Very high | 95.2 | Very high | 12 Ų | 12 | 47.8 Ų | 47.8 | 5% | 0.045 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.3 | -30.5 | -175.2 | -68 | 111.1 | 0 | 0 | 0 | 114.3 | M110 N151 A152 P159 W163 F189 A192 V193 V196 N197 | M110-W155 HydrophobicContact CG-CB 4.2Å; N151-W155 PolarHBondContact O-N 3.31Å; N151-W155 VanDerWaalsContact O-N 3.07Å; N151-W155 VanDerWaalsContact OD1-CD1 3.27Å; N151-W155 PolarHBondContact OD1-NE1 3.25Å; A152-W155 PolarHBondContact O-N 2.83Å; W155-P159 WeakPolarHBondContact O-CD 3.42Å; W155-W163 HydrophobicContact CH2-CH2 4.18Å; W155-W163 HydrophobicContact CH2-CZ3 4.42Å; W155-W163 HydrophobicContact CZ3-CH2 4.03Å; W155-W163 HydrophobicContact CZ3-CZ3 4.06Å; W155-F189 HydrophobicContact CE3-CD2 4.25Å; W155-F189 AromaticContact CE3-CE2 3.61Å; W155-F189 HydrophobicContact CE3-CE2 3.61Å; W155-F189 HydrophobicContact CE3-CZ 4.14Å; W155-F189 HydrophobicContact CZ3-CD2 4.16Å; W155-F189 AromaticContact CZ3-CE2 3.98Å; W155-F189 HydrophobicContact CZ3-CE2 3.98Å; W155-A192 HydrophobicContact CH2-CB 3.59Å; W155-A192 HydrophobicContact CZ3-CB 4Å; W155-V193 HydrophobicContact CD2-CG2 3.97Å; W155-V193 HydrophobicContact CE3-CB 4.49Å; W155-V193 HydrophobicContact CE3-CG2 3.3Å; W155-V193 HydrophobicContact CH2-CG2 4.46Å; W155-V193 HydrophobicContact CZ3-CG2 3.59Å; W155-V196 HydrophobicContact CZ2-CB 3.9Å; W155-V196 HydrophobicContact CZ2-CG1 4.06Å; W155-V196 HydrophobicContact CZ2-CG2 4.08Å; W155-N197 VanDerWaalsContact CE2-ND2 3.27Å; W155-N197 PolarHBondContact NE1-ND2 2.77Å |
| 156 | S | 96.6 | Very high | 95.1 | Very high | 12 Ų | 12 | 47.8 Ų | 47.8 | 8% | 0.084 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -79.3 | -21.9 | 177.5 | 69.1 | 0 | 0 | 0 | 0 | 114 | A103 A152 V153 F154 Y166 | A103-S156 WeakPolarHBondContact O-CB 3.23Å; A152-S156 WeakPolarHBondContact O-CB 3.01Å; A152-S156 PolarHBondContact O-N 2.8Å; A152-S156 PolarHBondContact O-OG 3.4Å; A152-S156 VanDerWaalsContact O-OG 3.06Å; V153-S156 PolarHBondContact O-OG 2.78Å; F154-S156 VanDerWaalsContact C-N 3.33Å; F154-S156 PolarHBondContact O-N 3.03Å; S156-Y166 PolarHBondContact O-OH 3.42Å |
| 157 | S | 96.1 | Very high | 94.8 | Very high | 36 Ų | 36 | 43.7 Ų | 43.7 | 25% | 0.252 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -89.4 | -28.9 | 179.1 | 58.3 | 0 | 0 | 0 | 0 | 112.7 | V153 F154 I160 V161 | V153-S157 VanDerWaalsContact O-CB 3.26Å; V153-S157 WeakPolarHBondContact O-CB 3.38Å; V153-S157 PolarHBondContact O-N 3.26Å; V153-S157 PolarHBondContact O-OG 3.44Å; F154-S157 PolarHBondContact O-N 2.97Å; F154-S157 PolarHBondContact O-OG 3.38Å; S157-I160 WeakPolarHBondContact O-CB 3.49Å; S157-I160 PolarHBondContact O-N 3.49Å; S157-V161 PolarHBondContact O-N 2.95Å |
| 158 | M | 94.6 | Very high | 94.4 | Very high | 36 Ų | 36 | 41.5 Ų | 41.5 | 18% | 0.177 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -52.8 | -45.4 | -177.4 | -76.6 | -50.3 | 114.2 | 0 | 0 | 114.3 | F154 I160 V161 G162 W163 F189 | F154-M158 HydrophobicContact CD1-CG 4.34Å; F154-M158 HydrophobicContact CD2-CE 3.64Å; F154-M158 HydrophobicContact CE1-CG 4.04Å; F154-M158 HydrophobicContact CE2-CE 3.56Å; F154-M158 HydrophobicContact CE2-CG 4.29Å; F154-M158 HydrophobicContact CE2-SD 3.97Å; F154-M158 HydrophobicContact CG-CE 4.34Å; F154-M158 HydrophobicContact CZ-CE 4.21Å; F154-M158 HydrophobicContact CZ-CG 4.02Å; F154-M158 HydrophobicContact CZ-SD 4.04Å; F154-M158 VanDerWaalsContact O-CG 3.29Å; F154-M158 WeakPolarHBondContact O-CG 3.35Å; F154-M158 PolarHBondContact O-N 2.82Å; F154-M158 VanDerWaalsContact O-N 3.14Å; M158-I160 PolarHBondContact O-N 2.95Å; M158-V161 HydrophobicContact CE-CG2 4.45Å; M158-V161 WeakPolarHBondContact O-CG2 3.26Å; M158-V161 PolarHBondContact O-N 2.89Å; M158-V161 HydrophobicContact SD-CG2 4.18Å; M158-G162 PolarHBondContact O-N 3.11Å; M158-W163 CarbonylContact C-O 2.93Å; M158-W163 HydrophobicContact CB-CB 4.23Å; M158-W163 HydrophobicContact CB-CE3 4.06Å; M158-W163 HydrophobicContact CG-CE3 3.68Å; M158-W163 HydrophobicContact CG-CZ3 4.23Å; M158-W163 PolarHBondContact O-N 2.75Å; M158-W163 HydrophobicContact SD-CE3 3.86Å; M158-F189 HydrophobicContact CB-CD2 4.27Å; M158-F189 HydrophobicContact CB-CE2 3.68Å |
| 159 | P | 93.9 | Very high | 93.7 | Very high | 5 Ų | 5 | 41.3 Ų | 41.3 | 3% | 0.032 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -69.2 | -18 | 177.4 | -23.9 | 37.7 | 0 | 0 | 0 | 114.8 | W155 W163 A164 Y166 F189 | W155-P159 WeakPolarHBondContact O-CD 3.42Å; P159-W163 VanDerWaalsContact CA-O 3.27Å; P159-W163 WeakPolarHBondContact CA-O 3.26Å; P159-A164 VanDerWaalsContact O-O 3.13Å; P159-Y166 HydrophobicContact CB-CD1 4.01Å; P159-Y166 HydrophobicContact CB-CD2 4.19Å; P159-Y166 HydrophobicContact CB-CE1 3.62Å; P159-Y166 HydrophobicContact CB-CE2 3.86Å; P159-Y166 HydrophobicContact CB-CG 4.27Å; P159-Y166 HydrophobicContact CG-CD1 4.45Å; P159-Y166 HydrophobicContact CG-CE1 3.63Å; P159-Y166 HydrophobicContact CG-CE2 4.3Å; P159-F189 HydrophobicContact CG-CE1 3.83Å; P159-F189 HydrophobicContact CG-CE2 3.96Å; P159-F189 HydrophobicContact CG-CZ 3.48Å; P159-F189 VanDerWaalsContact CG-CZ 3.48Å |
| 160 | I | 92.3 | Very high | 92.5 | Very high | 99 Ų | 99 | 41.2 Ų | 41.2 | 51% | 0.508 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -79.7 | -36 | 175.6 | -55.8 | 175.9 | 0 | 0 | 0 | 110 | A103 S157 M158 G162 Y166 | A103-I160 HydrophobicContact CB-CD1 3.96Å; S157-I160 WeakPolarHBondContact O-CB 3.49Å; S157-I160 PolarHBondContact O-N 3.49Å; M158-I160 PolarHBondContact O-N 2.95Å; I160-G162 VanDerWaalsContact C-N 3.3Å; I160-Y166 HydrophobicContact CD1-CE2 4.46Å; I160-Y166 HydrophobicContact CG1-CD2 4.25Å; I160-Y166 HydrophobicContact CG1-CE2 3.88Å |
| 161 | V | 92.5 | Very high | 91.5 | Very high | 108 Ų | 108 | 36.6 Ų | 36.6 | 66% | 0.655 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -86.5 | 0.1 | -179.8 | -58.3 | 0 | 0 | 0 | 0 | 113.4 | S157 M158 | S157-V161 PolarHBondContact O-N 2.95Å; M158-V161 HydrophobicContact CE-CG2 4.45Å; M158-V161 WeakPolarHBondContact O-CG2 3.26Å; M158-V161 PolarHBondContact O-N 2.89Å; M158-V161 HydrophobicContact SD-CG2 4.18Å |
| 162 | G | 88.9 | Confident | 90.8 | Very high | 53 Ų | 53 | 35.3 Ų | 35.3 | 55% | 0.546 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 110.5 | 0.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 116 | M158 I160 A164 | M158-G162 PolarHBondContact O-N 3.11Å; I160-G162 VanDerWaalsContact C-N 3.3Å; G162-A164 CarbonylContact C-O 3.38Å; G162-A164 PolarHBondContact O-N 2.98Å |
| 163 | W | 92.4 | Very high | 90.2 | Very high | 73 Ų | 73 | 35.3 Ų | 35.3 | 28% | 0.277 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -88.4 | 92 | 169.8 | -170.4 | 19.6 | 0 | 0 | 0 | 109.5 | F154 W155 M158 P159 F189 A192 | F154-W163 HydrophobicContact CE1-CZ3 4.22Å; F154-W163 HydrophobicContact CZ-CZ3 4.06Å; W155-W163 HydrophobicContact CH2-CH2 4.18Å; W155-W163 HydrophobicContact CH2-CZ3 4.42Å; W155-W163 HydrophobicContact CZ3-CH2 4.03Å; W155-W163 HydrophobicContact CZ3-CZ3 4.06Å; M158-W163 CarbonylContact C-O 2.93Å; M158-W163 HydrophobicContact CB-CB 4.23Å; M158-W163 HydrophobicContact CB-CE3 4.06Å; M158-W163 HydrophobicContact CG-CE3 3.68Å; M158-W163 HydrophobicContact CG-CZ3 4.23Å; M158-W163 PolarHBondContact O-N 2.75Å; M158-W163 HydrophobicContact SD-CE3 3.86Å; P159-W163 VanDerWaalsContact CA-O 3.27Å; P159-W163 WeakPolarHBondContact CA-O 3.26Å; W163-F189 HydrophobicContact CD2-CB 4.46Å; W163-F189 AromaticContact CD2-CD2 3.86Å; W163-F189 HydrophobicContact CD2-CD2 3.86Å; W163-F189 HydrophobicContact CE3-CD2 4.19Å; W163-F189 HydrophobicContact CG-CB 4.36Å; W163-F189 HydrophobicContact CG-CD2 4.07Å; W163-A192 HydrophobicContact CH2-CB 4.1Å; W163-A192 HydrophobicContact CZ2-CB 4.13Å |
| 164 | A | 91.9 | Very high | 89.8 | Confident | 8 Ų | 8 | 32.9 Ų | 32.9 | 7% | 0.066 | 20% | 0.198 | C | C | . | . | S | Bend | trans | 72 | -173.6 | -160.1 | 0 | 0 | 0 | 0 | 0 | 112 | P159 G162 I177 S185 F189 | P159-A164 VanDerWaalsContact O-O 3.13Å; G162-A164 CarbonylContact C-O 3.38Å; G162-A164 PolarHBondContact O-N 2.98Å; A164-I177 HydrophobicContact CB-CG2 4.14Å; A164-S185 PolarHBondContact N-OG 3Å; A164-F189 HydrophobicContact CB-CB 3.83Å; A164-F189 HydrophobicContact CB-CD1 3.81Å; A164-F189 HydrophobicContact CB-CG 3.82Å |
| 165 | S | 91.9 | Very high | 89.5 | Confident | 41 Ų | 41 | 29 Ų | 29 | 29% | 0.287 | 18% | 0.181 | S | C | . | . | trans | -147.2 | 157.6 | 177.8 | 57.1 | 0 | 0 | 0 | 0 | 110.8 | N178 | S165-N178 VanDerWaalsContact O-CB 3.26Å; S165-N178 WeakPolarHBondContact O-CB 3.47Å; S165-N178 PolarHBondContact O-N 3.26Å; S165-N178 VanDerWaalsContact OG-CB 3.26Å; S165-N178 WeakPolarHBondContact OG-CB 3.34Å; S165-N178 PolarHBondContact OG-ND2 3.24Å | ||
| 166 | Y | 93.1 | Very high | 89.2 | Confident | 6 Ų | 6 | 29.3 Ų | 29.3 | 2% | 0.024 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 137.5 | 169.2 | -58.8 | -50.1 | 0 | 0 | 0 | 111.5 | Q99 A102 A103 I106 S156 P159 I160 T176 I177 | Q99-Y166 PolarHBondContact NE2-O 3.07Å; A102-Y166 HydrophobicContact CB-CD1 3.55Å; A102-Y166 HydrophobicContact CB-CD2 3.87Å; A102-Y166 HydrophobicContact CB-CE1 4.03Å; A102-Y166 HydrophobicContact CB-CE2 4.27Å; A102-Y166 HydrophobicContact CB-CG 3.47Å; A102-Y166 VanDerWaalsContact CB-CG 3.47Å; A103-Y166 HydrophobicContact CB-CE2 3.82Å; I106-Y166 HydrophobicContact CD1-CD1 4.25Å; I106-Y166 HydrophobicContact CD1-CE1 3.26Å; I106-Y166 WeakPolarHBondContact CD1-OH 3.15Å; S156-Y166 PolarHBondContact O-OH 3.42Å; P159-Y166 HydrophobicContact CB-CD1 4.01Å; P159-Y166 HydrophobicContact CB-CD2 4.19Å; P159-Y166 HydrophobicContact CB-CE1 3.62Å; P159-Y166 HydrophobicContact CB-CE2 3.86Å; P159-Y166 HydrophobicContact CB-CG 4.27Å; P159-Y166 HydrophobicContact CG-CD1 4.45Å; P159-Y166 HydrophobicContact CG-CE1 3.63Å; P159-Y166 HydrophobicContact CG-CE2 4.3Å; I160-Y166 HydrophobicContact CD1-CE2 4.46Å; I160-Y166 HydrophobicContact CG1-CD2 4.25Å; I160-Y166 HydrophobicContact CG1-CE2 3.88Å; Y166-T176 VanDerWaalsContact CA-O 3.31Å; Y166-T176 WeakPolarHBondContact CA-O 3.42Å; Y166-I177 HydrophobicContact CD1-CG1 4.43Å; Y166-I177 HydrophobicContact CE1-CG1 4.12Å |
| 167 | A | 90.1 | Very high | 88.9 | Confident | 14 Ų | 14 | 29.3 Ų | 29.3 | 12% | 0.116 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 161.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111 | D169 C175 T176 N178 | A167-D169 PolarHBondContact O-N 3.43Å; A167-C175 WeakPolarHBondContact O-CA 3.38Å; A167-T176 PolarHBondContact N-O 2.95Å; A167-T176 PolarHBondContact O-N 2.86Å; A167-T176 VanDerWaalsContact O-O 3.05Å; A167-N178 HydrophobicContact CB-CB 3.64Å |
| 168 | P | 88 | Confident | 88.5 | Confident | 10 Ų | 10 | 28.3 Ų | 28.3 | 7% | 0.065 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.4 | 137.7 | 169.9 | -24.5 | 35.3 | 0 | 0 | 0 | 111.6 | Y14 T174 | Y14-P168 HydrophobicContact CD1-CG 3.67Å; Y14-P168 HydrophobicContact CE1-CG 3.43Å; Y14-P168 VanDerWaalsContact CE1-CG 3.43Å; P168-T174 VanDerWaalsContact CA-O 3.29Å; P168-T174 WeakPolarHBondContact CA-O 3.44Å |
| 169 | D | 81.8 | Confident | 87.7 | Confident | 3 Ų | 3 | 27.6 Ų | 27.6 | 2% | 0.016 | 17% | 0.171 | C | C | . | . | trans | -73.1 | 176 | 175 | 80.1 | -68.8 | 0 | 0 | 0 | 110.8 | A167 T171 G172 T174 T176 R180 | A167-D169 PolarHBondContact O-N 3.43Å; D169-T171 PolarHBondContact O-N 3.31Å; D169-T171 PolarHBondContact OD1-OG1 2.93Å; D169-T171 VanDerWaalsContact OD2-CB 3.28Å; D169-T171 WeakPolarHBondContact OD2-CB 3.22Å; D169-T171 WeakPolarHBondContact OD2-CG2 3.23Å; D169-T171 PolarHBondContact OD2-N 3.48Å; D169-T171 PolarHBondContact OD2-OG1 3.4Å; D169-G172 PolarHBondContact O-N 3.35Å; D169-T174 PolarHBondContact N-O 2.87Å; D169-T174 VanDerWaalsContact OD1-C 3.26Å; D169-T174 WeakPolarHBondContact OD1-CA 3.1Å; D169-T174 WeakPolarHBondContact OD1-CB 3.35Å; D169-T174 PolarHBondContact OD1-N 3.46Å; D169-T174 PolarHBondContact OD1-OG1 3.33Å; D169-T176 HydrophobicContact CB-CG2 3.87Å; D169-R180 PolarHBondContact O-NH2 3.37Å | ||
| 170 | P | 74.1 | Confident | 86.7 | Confident | 41 Ų | 41 | 34.4 Ų | 34.4 | 27% | 0.266 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -26.2 | 179.2 | -26.6 | 37.4 | 0 | 0 | 0 | 114.3 | G172 W179 A276 | P170-G172 PolarHBondContact O-N 3.48Å; P170-W179 HydrophobicContact CG-CH2 4.37Å; P170-W179 HydrophobicContact CG-CZ2 3.62Å; P170-A276 HydrophobicContact CB-CB 4.34Å; P170-A276 HydrophobicContact CG-CB 3.98Å |
| 171 | T | 76.8 | Confident | 85.8 | Confident | 8 Ų | 8 | 35.1 Ų | 35.1 | 5% | 0.049 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -23.8 | 173 | 69.9 | 0 | 0 | 0 | 0 | 112.6 | S18 F20 H25 D169 A173 I277 | S18-T171 PolarHBondContact OG-O 2.87Å; S18-T171 VanDerWaalsContact OG-O 3.13Å; F20-T171 HydrophobicContact CD2-CG2 4.15Å; F20-T171 HydrophobicContact CE2-CG2 3.62Å; F20-T171 HydrophobicContact CZ-CG2 4.06Å; H25-T171 PolarHBondContact CE1-O 3.33Å; D169-T171 PolarHBondContact O-N 3.31Å; D169-T171 PolarHBondContact OD1-OG1 2.93Å; D169-T171 VanDerWaalsContact OD2-CB 3.28Å; D169-T171 WeakPolarHBondContact OD2-CB 3.22Å; D169-T171 WeakPolarHBondContact OD2-CG2 3.23Å; D169-T171 PolarHBondContact OD2-N 3.48Å; D169-T171 PolarHBondContact OD2-OG1 3.4Å; T171-A173 PolarHBondContact O-N 3.07Å; T171-A173 VanDerWaalsContact O-N 3.11Å; T171-A173 PolarHBondContact OG1-N 3.03Å; T171-A173 VanDerWaalsContact OG1-N 3.1Å; T171-I277 HydrophobicContact CG2-CB 4.47Å; T171-I277 HydrophobicContact CG2-CD1 3.84Å; T171-I277 HydrophobicContact CG2-CG1 3.18Å |
| 172 | G | 81.5 | Confident | 85 | Confident | 17 Ų | 17 | 32.9 Ų | 32.9 | 18% | 0.175 | 18% | 0.181 | C | C | . | . | S | Bend | trans | 65.1 | 5.1 | -172 | 0 | 0 | 0 | 0 | 0 | 113.4 | S90 W91 D169 P170 | S90-G172 CarbonylContact C-O 3.59Å; W91-G172 VanDerWaalsContact CA-O 3.3Å; W91-G172 WeakPolarHBondContact CA-O 3.27Å; W91-G172 WeakPolarHBondContact CB-O 3.43Å; W91-G172 PolarHBondContact N-O 3.38Å; D169-G172 PolarHBondContact O-N 3.35Å; P170-G172 PolarHBondContact O-N 3.48Å |
| 173 | A | 85.6 | Confident | 84.9 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -105.7 | -10.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | S85 D86 W91 T171 | S85-A173 WeakPolarHBondContact CB-O 3.37Å; D86-A173 HydrophobicContact CB-CB 4.39Å; D86-A173 WeakPolarHBondContact OD1-CB 3.43Å; W91-A173 VanDerWaalsContact CE3-O 3.29Å; T171-A173 PolarHBondContact O-N 3.07Å; T171-A173 VanDerWaalsContact O-N 3.11Å; T171-A173 PolarHBondContact OG1-N 3.03Å; T171-A173 VanDerWaalsContact OG1-N 3.1Å |
| 174 | T | 89.8 | Confident | 84.6 | Confident | 20 Ų | 20 | 34.1 Ų | 34.1 | 12% | 0.123 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -130 | 168.1 | 173.8 | 76.8 | 0 | 0 | 0 | 0 | 111.3 | S82 P168 D169 | S82-T174 WeakPolarHBondContact OG-CG2 3.03Å; P168-T174 VanDerWaalsContact CA-O 3.29Å; P168-T174 WeakPolarHBondContact CA-O 3.44Å; D169-T174 PolarHBondContact N-O 2.87Å; D169-T174 VanDerWaalsContact OD1-C 3.26Å; D169-T174 WeakPolarHBondContact OD1-CA 3.1Å; D169-T174 WeakPolarHBondContact OD1-CB 3.35Å; D169-T174 PolarHBondContact OD1-N 3.46Å; D169-T174 PolarHBondContact OD1-OG1 3.33Å |
| 175 | C | 91.3 | Very high | 84.6 | Confident | 6 Ų | 6 | 35.2 Ų | 35.2 | 4% | 0.041 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 137.8 | 174.9 | -73.8 | 0 | 0 | 0 | 0 | 111 | C98 Y101 A102 A167 | C98-C175 WeakPolarHBondContact CA-SG 3.01Å; C98-C175 HydrophobicContact CB-CB 3.97Å; C98-C175 WeakPolarHBondContact CB-SG 2.89Å; C98-C175 WeakPolarHBondContact O-CB 3.43Å; C98-C175 WeakPolarHBondContact SG-CB 3.08Å; C98-C175 CovalentContact SG-SG 2.02Å; C98-C175 PolarHBondContact SG-SG 3.12Å; Y101-C175 HydrophobicContact CD1-CB 3.86Å; Y101-C175 WeakPolarHBondContact CD1-O 3.28Å; Y101-C175 WeakPolarHBondContact CE1-O 3.47Å; A102-C175 HydrophobicContact CB-CB 4.09Å; A167-C175 WeakPolarHBondContact O-CA 3.38Å |
| 176 | T | 90.7 | Very high | 84.4 | Confident | 19 Ų | 19 | 33.5 Ų | 33.5 | 12% | 0.117 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | -173.8 | -178.2 | -164 | 0 | 0 | 0 | 0 | 110.4 | Y166 A167 D169 N178 Y256 | Y166-T176 VanDerWaalsContact CA-O 3.31Å; Y166-T176 WeakPolarHBondContact CA-O 3.42Å; A167-T176 PolarHBondContact N-O 2.95Å; A167-T176 PolarHBondContact O-N 2.86Å; A167-T176 VanDerWaalsContact O-O 3.05Å; D169-T176 HydrophobicContact CB-CG2 3.87Å; T176-N178 PolarHBondContact O-N 3.33Å; T176-Y256 PolarHBondContact OG1-OH 3.01Å |
| 177 | I | 89.9 | Confident | 84.3 | Confident | 13 Ų | 13 | 35.7 Ų | 35.7 | 7% | 0.067 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 134.5 | 174.7 | -56.2 | 160.8 | 0 | 0 | 0 | 108.5 | I106 A164 Y166 W179 F186 F189 | I106-I177 HydrophobicContact CD1-CD1 4.3Å; I106-I177 HydrophobicContact CD1-CG1 3.89Å; A164-I177 HydrophobicContact CB-CG2 4.14Å; Y166-I177 HydrophobicContact CD1-CG1 4.43Å; Y166-I177 HydrophobicContact CE1-CG1 4.12Å; I177-W179 VanDerWaalsContact C-N 3.28Å; I177-W179 PolarHBondContact O-N 3.5Å; I177-F186 HydrophobicContact CB-CE2 4.47Å; I177-F186 HydrophobicContact CG2-CD2 3.64Å; I177-F186 HydrophobicContact CG2-CE2 3.67Å; I177-F189 HydrophobicContact CD1-CD1 4.14Å; I177-F189 HydrophobicContact CD1-CE1 3.55Å; I177-F189 HydrophobicContact CG1-CE1 4.04Å; I177-F189 HydrophobicContact CG2-CD1 4.26Å; I177-F189 HydrophobicContact CG2-CE1 4.44Å |
| 178 | N | 87.1 | Confident | 84.5 | Confident | 14 Ų | 14 | 38 Ų | 38 | 8% | 0.075 | 21% | 0.214 | C | C | . | . | trans | -73.2 | 77.2 | -175.3 | -173.5 | 9.8 | 0 | 0 | 0 | 112.6 | S165 A167 T176 R180 Q181 | S165-N178 VanDerWaalsContact O-CB 3.26Å; S165-N178 WeakPolarHBondContact O-CB 3.47Å; S165-N178 PolarHBondContact O-N 3.26Å; S165-N178 VanDerWaalsContact OG-CB 3.26Å; S165-N178 WeakPolarHBondContact OG-CB 3.34Å; S165-N178 PolarHBondContact OG-ND2 3.24Å; A167-N178 HydrophobicContact CB-CB 3.64Å; T176-N178 PolarHBondContact O-N 3.33Å; N178-R180 PolarHBondContact O-N 3.43Å; N178-R180 PolarHBondContact OD1-N 2.89Å; N178-Q181 VanDerWaalsContact ND2-CD 3.32Å; N178-Q181 PolarHBondContact O-N 3.03Å | ||
| 179 | W | 79.1 | Confident | 84.8 | Confident | 21 Ų | 21 | 37.6 Ų | 37.6 | 8% | 0.08 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -9.2 | 169.6 | 55.6 | -13.8 | 0 | 0 | 0 | 116.2 | P170 I177 Q181 F186 V259 A263 P268 I271 A276 | P170-W179 HydrophobicContact CG-CH2 4.37Å; P170-W179 HydrophobicContact CG-CZ2 3.62Å; I177-W179 VanDerWaalsContact C-N 3.28Å; I177-W179 PolarHBondContact O-N 3.5Å; W179-Q181 VanDerWaalsContact C-N 3.31Å; W179-F186 VanDerWaalsContact CA-CE2 3.48Å; W179-F186 HydrophobicContact CB-CE1 4.25Å; W179-F186 HydrophobicContact CB-CE2 3.74Å; W179-F186 HydrophobicContact CB-CZ 3.49Å; W179-F186 VanDerWaalsContact CB-CZ 3.49Å; W179-V259 HydrophobicContact CE3-CG1 4.26Å; W179-V259 HydrophobicContact CH2-CG1 3.77Å; W179-V259 HydrophobicContact CZ3-CG1 3.25Å; W179-A263 HydrophobicContact CB-CB 4.08Å; W179-A263 HydrophobicContact CE3-CB 3.73Å; W179-P268 WeakPolarHBondContact O-CG 3.46Å; W179-I271 HydrophobicContact CE3-CD1 3.93Å; W179-I271 HydrophobicContact CZ3-CD1 3.7Å; W179-I271 HydrophobicContact CZ3-CG2 4.29Å; W179-A276 HydrophobicContact CH2-CB 3.62Å; W179-A276 HydrophobicContact CZ2-CB 4Å |
| 180 | R | 72.6 | Confident | 85.3 | Confident | 149 Ų | 149 | 37.6 Ų | 37.6 | 56% | 0.562 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74 | -29.5 | 176.2 | -62 | -174.7 | -174.3 | -171.4 | 5.2 | 111.2 | D169 N178 N182 | D169-R180 PolarHBondContact O-NH2 3.37Å; N178-R180 PolarHBondContact O-N 3.43Å; N178-R180 PolarHBondContact OD1-N 2.89Å; R180-N182 PolarHBondContact O-N 3.26Å |
| 181 | Q | 72 | Confident | 86.2 | Confident | 114 Ų | 114 | 39 Ų | 39 | 53% | 0.533 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -94.6 | 88 | 170.1 | -68.6 | 178 | 12.4 | 0 | 0 | 107.3 | N178 W179 D183 F186 | N178-Q181 VanDerWaalsContact ND2-CD 3.32Å; N178-Q181 PolarHBondContact O-N 3.03Å; W179-Q181 VanDerWaalsContact C-N 3.31Å; Q181-D183 PolarHBondContact O-N 3.3Å; Q181-F186 WeakPolarHBondContact O-CB 3.35Å |
| 182 | N | 76.7 | Confident | 87.1 | Confident | 60 Ų | 60 | 39.8 Ų | 39.8 | 32% | 0.321 | 22% | 0.222 | S | C | . | . | trans | -77.2 | 60.6 | 176.4 | -166.4 | -6.2 | 0 | 0 | 0 | 110.5 | R180 I187 A263 G266 P268 | R180-N182 PolarHBondContact O-N 3.26Å; N182-I187 VanDerWaalsContact OD1-CD1 3.24Å; N182-I187 WeakPolarHBondContact OD1-CD1 3.4Å; N182-I187 WeakPolarHBondContact OD1-CG1 3.43Å; N182-A263 PolarHBondContact ND2-O 3.03Å; N182-G266 PolarHBondContact ND2-O 2.92Å; N182-P268 HydrophobicContact CB-CG 4.1Å | ||
| 183 | D | 85.7 | Confident | 87.7 | Confident | 70 Ų | 70 | 39.8 Ų | 39.8 | 37% | 0.374 | 22% | 0.219 | S | C | . | . | trans | -90.6 | 166.9 | 179 | 72.9 | -20.2 | 0 | 0 | 0 | 111.5 | Q181 S185 F186 I187 | Q181-D183 PolarHBondContact O-N 3.3Å; D183-S185 PolarHBondContact O-N 3.49Å; D183-S185 WeakPolarHBondContact OD2-CB 3.06Å; D183-F186 PolarHBondContact O-N 3.48Å; D183-F186 WeakPolarHBondContact OD1-CA 3.5Å; D183-F186 WeakPolarHBondContact OD1-CB 3.34Å; D183-F186 PolarHBondContact OD1-N 3.21Å; D183-I187 WeakPolarHBondContact O-CG1 3.4Å; D183-I187 PolarHBondContact O-N 2.98Å | ||
| 184 | A | 87.8 | Confident | 88.1 | Confident | 82 Ų | 82 | 40.6 Ų | 40.6 | 68% | 0.678 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -59.2 | -31 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | S188 | A184-S188 WeakPolarHBondContact O-CB 3.42Å; A184-S188 PolarHBondContact O-N 2.76Å |
| 185 | S | 90.7 | Very high | 88.4 | Confident | 31 Ų | 31 | 41.9 Ų | 41.9 | 22% | 0.217 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.6 | -48.7 | 176.5 | -178 | 0 | 0 | 0 | 0 | 111.7 | A164 D183 S188 F189 | A164-S185 PolarHBondContact N-OG 3Å; D183-S185 PolarHBondContact O-N 3.49Å; D183-S185 WeakPolarHBondContact OD2-CB 3.06Å; S185-S188 PolarHBondContact O-N 2.98Å; S185-F189 VanDerWaalsContact O-CB 3.27Å; S185-F189 WeakPolarHBondContact O-CB 3.23Å; S185-F189 PolarHBondContact O-N 2.93Å |
| 186 | F | 89 | Confident | 88.6 | Confident | 5 Ų | 5 | 44.6 Ų | 44.6 | 2% | 0.022 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.4 | -48.7 | 175 | 168 | -103 | 0 | 0 | 0 | 111.9 | I177 W179 Q181 D183 F189 T190 A263 | I177-F186 HydrophobicContact CB-CE2 4.47Å; I177-F186 HydrophobicContact CG2-CD2 3.64Å; I177-F186 HydrophobicContact CG2-CE2 3.67Å; W179-F186 VanDerWaalsContact CA-CE2 3.48Å; W179-F186 HydrophobicContact CB-CE1 4.25Å; W179-F186 HydrophobicContact CB-CE2 3.74Å; W179-F186 HydrophobicContact CB-CZ 3.49Å; W179-F186 VanDerWaalsContact CB-CZ 3.49Å; Q181-F186 WeakPolarHBondContact O-CB 3.35Å; D183-F186 PolarHBondContact O-N 3.48Å; D183-F186 WeakPolarHBondContact OD1-CA 3.5Å; D183-F186 WeakPolarHBondContact OD1-CB 3.34Å; D183-F186 PolarHBondContact OD1-N 3.21Å; F186-F189 PolarHBondContact O-N 3.28Å; F186-T190 VanDerWaalsContact CE2-OG1 3.3Å; F186-T190 WeakPolarHBondContact CE2-OG1 3.29Å; F186-T190 VanDerWaalsContact O-CB 3.26Å; F186-T190 WeakPolarHBondContact O-CB 3.26Å; F186-T190 PolarHBondContact O-N 3.08Å; F186-T190 PolarHBondContact O-OG1 3.1Å; F186-A263 HydrophobicContact CE1-CB 4.4Å; F186-A263 HydrophobicContact CZ-CB 4.23Å |
| 187 | I | 90.6 | Very high | 88.7 | Confident | 53 Ų | 53 | 43.9 Ų | 43.9 | 27% | 0.272 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.9 | -50.2 | -179.3 | -62.8 | 170.1 | 0 | 0 | 0 | 109.9 | N182 D183 F189 T190 M191 | N182-I187 VanDerWaalsContact OD1-CD1 3.24Å; N182-I187 WeakPolarHBondContact OD1-CD1 3.4Å; N182-I187 WeakPolarHBondContact OD1-CG1 3.43Å; D183-I187 WeakPolarHBondContact O-CG1 3.4Å; D183-I187 PolarHBondContact O-N 2.98Å; I187-F189 PolarHBondContact O-N 3.01Å; I187-T190 PolarHBondContact O-N 2.77Å; I187-M191 HydrophobicContact CG2-CG 4.23Å; I187-M191 WeakPolarHBondContact O-CB 3.46Å; I187-M191 VanDerWaalsContact O-CG 3.25Å; I187-M191 WeakPolarHBondContact O-CG 3.42Å; I187-M191 PolarHBondContact O-N 3.41Å |
| 188 | S | 94.1 | Very high | 88.9 | Confident | 62 Ų | 62 | 44.7 Ų | 44.7 | 43% | 0.434 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -59.3 | -46.5 | -179.5 | 177.8 | 0 | 0 | 0 | 0 | 111.8 | A184 S185 A192 | A184-S188 WeakPolarHBondContact O-CB 3.42Å; A184-S188 PolarHBondContact O-N 2.76Å; S185-S188 PolarHBondContact O-N 2.98Å; S188-A192 VanDerWaalsContact O-CB 3.31Å; S188-A192 WeakPolarHBondContact O-CB 3.36Å; S188-A192 PolarHBondContact O-N 3.48Å |
| 189 | F | 93.9 | Very high | 89.2 | Confident | 1 Ų | 1 | 47.5 Ų | 47.5 | 0% | 0.004 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.1 | -50.4 | 177.5 | 179.4 | -101.9 | 0 | 0 | 0 | 111.6 | W155 M158 P159 W163 A164 I177 S185 F186 I187 M191 A192 V193 | W155-F189 HydrophobicContact CE3-CD2 4.25Å; W155-F189 AromaticContact CE3-CE2 3.61Å; W155-F189 HydrophobicContact CE3-CE2 3.61Å; W155-F189 HydrophobicContact CE3-CZ 4.14Å; W155-F189 HydrophobicContact CZ3-CD2 4.16Å; W155-F189 AromaticContact CZ3-CE2 3.98Å; W155-F189 HydrophobicContact CZ3-CE2 3.98Å; M158-F189 HydrophobicContact CB-CD2 4.27Å; M158-F189 HydrophobicContact CB-CE2 3.68Å; P159-F189 HydrophobicContact CG-CE1 3.83Å; P159-F189 HydrophobicContact CG-CE2 3.96Å; P159-F189 HydrophobicContact CG-CZ 3.48Å; P159-F189 VanDerWaalsContact CG-CZ 3.48Å; W163-F189 HydrophobicContact CD2-CB 4.46Å; W163-F189 AromaticContact CD2-CD2 3.86Å; W163-F189 HydrophobicContact CD2-CD2 3.86Å; W163-F189 HydrophobicContact CE3-CD2 4.19Å; W163-F189 HydrophobicContact CG-CB 4.36Å; W163-F189 HydrophobicContact CG-CD2 4.07Å; A164-F189 HydrophobicContact CB-CB 3.83Å; A164-F189 HydrophobicContact CB-CD1 3.81Å; A164-F189 HydrophobicContact CB-CG 3.82Å; I177-F189 HydrophobicContact CD1-CD1 4.14Å; I177-F189 HydrophobicContact CD1-CE1 3.55Å; I177-F189 HydrophobicContact CG1-CE1 4.04Å; I177-F189 HydrophobicContact CG2-CD1 4.26Å; I177-F189 HydrophobicContact CG2-CE1 4.44Å; S185-F189 VanDerWaalsContact O-CB 3.27Å; S185-F189 WeakPolarHBondContact O-CB 3.23Å; S185-F189 PolarHBondContact O-N 2.93Å; F186-F189 PolarHBondContact O-N 3.28Å; I187-F189 PolarHBondContact O-N 3.01Å; F189-M191 PolarHBondContact O-N 3.42Å; F189-A192 PolarHBondContact O-N 2.95Å; F189-V193 HydrophobicContact CD1-CG2 4.14Å; F189-V193 HydrophobicContact CD2-CG2 4.4Å; F189-V193 HydrophobicContact CE1-CG2 3.72Å; F189-V193 HydrophobicContact CE2-CG2 4Å; F189-V193 HydrophobicContact CG-CG2 4.46Å; F189-V193 HydrophobicContact CZ-CG2 3.64Å; F189-V193 WeakPolarHBondContact O-CB 3.33Å; F189-V193 WeakPolarHBondContact O-CG2 3.05Å; F189-V193 PolarHBondContact O-N 2.86Å |
| 190 | T | 92.1 | Very high | 90 | Very high | 3 Ų | 3 | 50.5 Ų | 50.5 | 2% | 0.018 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.8 | -43.9 | -177.9 | -59.9 | 0 | 0 | 0 | 0 | 111.4 | F186 I187 A192 V193 I194 C260 S264 | F186-T190 VanDerWaalsContact CE2-OG1 3.3Å; F186-T190 WeakPolarHBondContact CE2-OG1 3.29Å; F186-T190 VanDerWaalsContact O-CB 3.26Å; F186-T190 WeakPolarHBondContact O-CB 3.26Å; F186-T190 PolarHBondContact O-N 3.08Å; F186-T190 PolarHBondContact O-OG1 3.1Å; I187-T190 PolarHBondContact O-N 2.77Å; T190-A192 PolarHBondContact O-N 3.23Å; T190-V193 PolarHBondContact O-N 3.19Å; T190-I194 HydrophobicContact CG2-CD1 3.95Å; T190-I194 VanDerWaalsContact O-CG1 3.3Å; T190-I194 WeakPolarHBondContact O-CG1 3.24Å; T190-I194 PolarHBondContact O-N 3Å; T190-C260 HydrophobicContact CG2-CB 3.77Å; T190-S264 WeakPolarHBondContact CG2-OG 2.97Å |
| 191 | M | 93.3 | Very high | 91.1 | Very high | 70 Ų | 70 | 44 Ų | 44 | 35% | 0.345 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.6 | -41.9 | 176.6 | -72.3 | -55.4 | -63.2 | 0 | 0 | 112.3 | I187 F189 I194 A195 L261 F265 | I187-M191 HydrophobicContact CG2-CG 4.23Å; I187-M191 WeakPolarHBondContact O-CB 3.46Å; I187-M191 VanDerWaalsContact O-CG 3.25Å; I187-M191 WeakPolarHBondContact O-CG 3.42Å; I187-M191 PolarHBondContact O-N 3.41Å; F189-M191 PolarHBondContact O-N 3.42Å; M191-I194 PolarHBondContact O-N 2.89Å; M191-A195 WeakPolarHBondContact O-CB 3.31Å; M191-A195 PolarHBondContact O-N 2.94Å; M191-L261 HydrophobicContact SD-CD2 3.84Å; M191-F265 HydrophobicContact CE-CE2 4Å; M191-F265 HydrophobicContact CE-CZ 3.77Å; M191-F265 HydrophobicContact CG-CZ 4.32Å; M191-F265 HydrophobicContact SD-CE2 3.41Å; M191-F265 WeakPolarHBondContact SD-CE2 2.95Å; M191-F265 HydrophobicContact SD-CZ 3.49Å; M191-F265 WeakPolarHBondContact SD-CZ 3.45Å |
| 192 | A | 95.5 | Very high | 92.1 | Very high | 25 Ų | 25 | 40.4 Ų | 40.4 | 21% | 0.207 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.6 | -41.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | W155 W163 S188 F189 T190 A195 V196 | W155-A192 HydrophobicContact CH2-CB 3.59Å; W155-A192 HydrophobicContact CZ3-CB 4Å; W163-A192 HydrophobicContact CH2-CB 4.1Å; W163-A192 HydrophobicContact CZ2-CB 4.13Å; S188-A192 VanDerWaalsContact O-CB 3.31Å; S188-A192 WeakPolarHBondContact O-CB 3.36Å; S188-A192 PolarHBondContact O-N 3.48Å; F189-A192 PolarHBondContact O-N 2.95Å; T190-A192 PolarHBondContact O-N 3.23Å; A192-A195 PolarHBondContact O-N 3.13Å; A192-V196 WeakPolarHBondContact O-CB 3.26Å; A192-V196 WeakPolarHBondContact O-CG2 3.44Å; A192-V196 PolarHBondContact O-N 3.39Å |
| 193 | V | 94.6 | Very high | 93 | Very high | 17 Ų | 17 | 40.7 Ų | 40.7 | 10% | 0.103 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.8 | -48 | 174 | 168.3 | 0 | 0 | 0 | 0 | 111 | M110 W155 F189 T190 V196 N197 | M110-V193 HydrophobicContact CE-CG1 3.42Å; M110-V193 VanDerWaalsContact CE-CG1 3.42Å; W155-V193 HydrophobicContact CD2-CG2 3.97Å; W155-V193 HydrophobicContact CE3-CB 4.49Å; W155-V193 HydrophobicContact CE3-CG2 3.3Å; W155-V193 HydrophobicContact CH2-CG2 4.46Å; W155-V193 HydrophobicContact CZ3-CG2 3.59Å; F189-V193 HydrophobicContact CD1-CG2 4.14Å; F189-V193 HydrophobicContact CD2-CG2 4.4Å; F189-V193 HydrophobicContact CE1-CG2 3.72Å; F189-V193 HydrophobicContact CE2-CG2 4Å; F189-V193 HydrophobicContact CG-CG2 4.46Å; F189-V193 HydrophobicContact CZ-CG2 3.64Å; F189-V193 WeakPolarHBondContact O-CB 3.33Å; F189-V193 WeakPolarHBondContact O-CG2 3.05Å; F189-V193 PolarHBondContact O-N 2.86Å; T190-V193 PolarHBondContact O-N 3.19Å; V193-V196 PolarHBondContact O-N 2.91Å; V193-N197 HydrophobicContact CG1-CB 4.48Å; V193-N197 WeakPolarHBondContact O-CA 3.5Å; V193-N197 VanDerWaalsContact O-CB 3.28Å; V193-N197 WeakPolarHBondContact O-CB 3.4Å; V193-N197 PolarHBondContact O-N 2.99Å; V193-N197 PolarHBondContact O-ND2 3.43Å |
| 194 | I | 93.6 | Very high | 93.4 | Very high | 17 Ų | 17 | 39.6 Ų | 39.6 | 9% | 0.087 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.5 | -43.7 | -179.6 | -70.3 | 173.6 | 0 | 0 | 0 | 110.8 | T190 M191 F198 V199 C260 L261 | T190-I194 HydrophobicContact CG2-CD1 3.95Å; T190-I194 VanDerWaalsContact O-CG1 3.3Å; T190-I194 WeakPolarHBondContact O-CG1 3.24Å; T190-I194 PolarHBondContact O-N 3Å; M191-I194 PolarHBondContact O-N 2.89Å; I194-F198 WeakPolarHBondContact O-CA 3.43Å; I194-F198 VanDerWaalsContact O-CB 3.27Å; I194-F198 WeakPolarHBondContact O-CB 3.23Å; I194-F198 PolarHBondContact O-N 3.32Å; I194-F198 VanDerWaalsContact O-N 3.09Å; I194-V199 HydrophobicContact CG2-CG2 4.27Å; I194-V199 PolarHBondContact O-N 3.5Å; I194-C260 HydrophobicContact CD1-CB 4.16Å; I194-L261 HydrophobicContact CD1-CD1 4.48Å; I194-L261 HydrophobicContact CD1-CD2 3.56Å; I194-L261 HydrophobicContact CD1-CG 3.63Å |
| 195 | A | 95.3 | Very high | 93.6 | Very high | 47 Ų | 47 | 35.8 Ų | 35.8 | 39% | 0.388 | 22% | 0.22 | S | C | . | . | I | π-helix | trans | -61.2 | -51.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | M191 A192 V200 | M191-A195 WeakPolarHBondContact O-CB 3.31Å; M191-A195 PolarHBondContact O-N 2.94Å; A192-A195 PolarHBondContact O-N 3.13Å; A195-V200 WeakPolarHBondContact O-CG2 3.04Å; A195-V200 PolarHBondContact O-N 2.84Å |
| 196 | V | 95.6 | Very high | 93.7 | Very high | 63 Ų | 63 | 40.4 Ų | 40.4 | 38% | 0.382 | 24% | 0.236 | S | C | . | . | I | π-helix | trans | -83.2 | -37.3 | -170.7 | 177 | 0 | 0 | 0 | 0 | 113 | W155 A192 V193 P201 | W155-V196 HydrophobicContact CZ2-CB 3.9Å; W155-V196 HydrophobicContact CZ2-CG1 4.06Å; W155-V196 HydrophobicContact CZ2-CG2 4.08Å; A192-V196 WeakPolarHBondContact O-CB 3.26Å; A192-V196 WeakPolarHBondContact O-CG2 3.44Å; A192-V196 PolarHBondContact O-N 3.39Å; V193-V196 PolarHBondContact O-N 2.91Å; V196-P201 WeakPolarHBondContact O-CD 3.3Å |
| 197 | N | 94.1 | Very high | 94 | Very high | 5 Ų | 5 | 46.1 Ų | 46.1 | 3% | 0.027 | 26% | 0.259 | C | S | . | . | I | π-helix | trans | -106.4 | -5.7 | -173.5 | -61.5 | -80.9 | 0 | 0 | 0 | 114 | M110 I113 N151 W155 V193 | M110-N197 HydrophobicContact CE-CB 4.42Å; M110-N197 HydrophobicContact SD-CB 3.48Å; M110-N197 WeakPolarHBondContact SD-CB 3.31Å; I113-N197 VanDerWaalsContact CG2-O 3.3Å; I113-N197 WeakPolarHBondContact CG2-O 3.49Å; N151-N197 PolarHBondContact ND2-OD1 3.06Å; W155-N197 VanDerWaalsContact CE2-ND2 3.27Å; W155-N197 PolarHBondContact NE1-ND2 2.77Å; V193-N197 HydrophobicContact CG1-CB 4.48Å; V193-N197 WeakPolarHBondContact O-CA 3.5Å; V193-N197 VanDerWaalsContact O-CB 3.28Å; V193-N197 WeakPolarHBondContact O-CB 3.4Å; V193-N197 PolarHBondContact O-N 2.99Å; V193-N197 PolarHBondContact O-ND2 3.43Å |
| 198 | F | 92.9 | Very high | 94.1 | Very high | 30 Ų | 30 | 43.9 Ų | 43.9 | 13% | 0.132 | 25% | 0.248 | C | C | . | . | I | π-helix | trans | -120.5 | -60 | 174.1 | -175.5 | -99.9 | 0 | 0 | 0 | 111.5 | I194 L202 F249 L250 W253 S257 | I194-F198 WeakPolarHBondContact O-CA 3.43Å; I194-F198 VanDerWaalsContact O-CB 3.27Å; I194-F198 WeakPolarHBondContact O-CB 3.23Å; I194-F198 PolarHBondContact O-N 3.32Å; I194-F198 VanDerWaalsContact O-N 3.09Å; F198-L202 HydrophobicContact CE1-CD2 4.31Å; F198-L202 HydrophobicContact CZ-CD2 4.44Å; F198-L202 WeakPolarHBondContact O-CB 3.36Å; F198-L202 PolarHBondContact O-N 3.39Å; F198-F249 AromaticContact CD2-CE1 3.97Å; F198-F249 HydrophobicContact CD2-CE1 3.97Å; F198-F249 HydrophobicContact CD2-CZ 4.1Å; F198-F249 AromaticContact CE2-CE1 3.84Å; F198-F249 HydrophobicContact CE2-CE1 3.84Å; F198-F249 HydrophobicContact CE2-CZ 4.38Å; F198-L250 HydrophobicContact CZ-CD2 4.43Å; F198-W253 HydrophobicContact CD2-CB 4.02Å; F198-W253 HydrophobicContact CE2-CB 3.79Å; F198-S257 WeakPolarHBondContact CD2-OG 3.48Å |
| 199 | V | 94.9 | Very high | 93.8 | Very high | 73 Ų | 73 | 41 Ų | 41 | 44% | 0.442 | 23% | 0.228 | S | C | . | . | I | π-helix | trans | -66.1 | -47.9 | -174.6 | 177.7 | 0 | 0 | 0 | 0 | 112 | I194 L202 S203 | I194-V199 HydrophobicContact CG2-CG2 4.27Å; I194-V199 PolarHBondContact O-N 3.5Å; V199-L202 PolarHBondContact O-N 3.01Å; V199-S203 VanDerWaalsContact O-CB 3.3Å; V199-S203 WeakPolarHBondContact O-CB 3.45Å; V199-S203 PolarHBondContact O-N 2.96Å; V199-S203 PolarHBondContact O-OG 3.04Å |
| 200 | V | 95.8 | Very high | 93.6 | Very high | 84 Ų | 84 | 47.6 Ų | 47.6 | 51% | 0.509 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.5 | -54.2 | 178.8 | 166.9 | 0 | 0 | 0 | 0 | 111.5 | A195 L202 S203 V204 | A195-V200 WeakPolarHBondContact O-CG2 3.04Å; A195-V200 PolarHBondContact O-N 2.84Å; V200-L202 PolarHBondContact O-N 3.48Å; V200-S203 PolarHBondContact O-N 2.65Å; V200-V204 HydrophobicContact CG1-CG2 4.48Å; V200-V204 WeakPolarHBondContact O-CG2 3.49Å; V200-V204 PolarHBondContact O-N 3.5Å |
| 201 | P | 94.4 | Very high | 93.5 | Very high | 11 Ų | 11 | 49.3 Ų | 49.3 | 7% | 0.071 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -51.1 | -49.8 | 173.2 | -36.4 | 41.2 | 0 | 0 | 0 | 113.5 | I113 T117 V196 S203 V204 M205 F249 | I113-P201 HydrophobicContact CG2-CB 3.71Å; I113-P201 HydrophobicContact CG2-CG 3.77Å; T117-P201 WeakPolarHBondContact OG1-CB 3.26Å; V196-P201 WeakPolarHBondContact O-CD 3.3Å; P201-S203 VanDerWaalsContact C-N 3.33Å; P201-S203 PolarHBondContact O-N 3.46Å; P201-V204 PolarHBondContact O-N 2.93Å; P201-M205 WeakPolarHBondContact O-CB 3.25Å; P201-M205 VanDerWaalsContact O-CG 3.23Å; P201-M205 WeakPolarHBondContact O-CG 3.41Å; P201-M205 PolarHBondContact O-N 3.31Å; P201-F249 HydrophobicContact CB-CZ 4.45Å |
| 202 | L | 93.1 | Very high | 93.2 | Very high | 39 Ų | 39 | 46 Ų | 46 | 20% | 0.204 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.5 | -43.7 | -179.8 | -178.7 | 63.7 | 0 | 0 | 0 | 111.7 | F198 V199 V200 M205 F206 F249 L250 | F198-L202 HydrophobicContact CE1-CD2 4.31Å; F198-L202 HydrophobicContact CZ-CD2 4.44Å; F198-L202 WeakPolarHBondContact O-CB 3.36Å; F198-L202 PolarHBondContact O-N 3.39Å; V199-L202 PolarHBondContact O-N 3.01Å; V200-L202 PolarHBondContact O-N 3.48Å; L202-M205 PolarHBondContact O-N 3.1Å; L202-F206 VanDerWaalsContact O-CB 3.32Å; L202-F206 WeakPolarHBondContact O-CB 3.35Å; L202-F206 PolarHBondContact O-N 3.35Å; L202-F249 HydrophobicContact CB-CE1 4.11Å; L202-F249 HydrophobicContact CD1-CD1 3.93Å; L202-F249 HydrophobicContact CD1-CE1 4.09Å; L202-L250 HydrophobicContact CD1-CD2 3.69Å; L202-L250 HydrophobicContact CD1-CG 4.12Å; L202-L250 HydrophobicContact CD2-CD2 3.79Å; L202-L250 HydrophobicContact CG-CD2 4.41Å |
| 203 | S | 95.5 | Very high | 92.7 | Very high | 67 Ų | 67 | 45.7 Ų | 45.7 | 47% | 0.469 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63.9 | -43.6 | 179 | -58.8 | 0 | 0 | 0 | 0 | 111.6 | V199 V200 P201 F206 Y207 | V199-S203 VanDerWaalsContact O-CB 3.3Å; V199-S203 WeakPolarHBondContact O-CB 3.45Å; V199-S203 PolarHBondContact O-N 2.96Å; V199-S203 PolarHBondContact O-OG 3.04Å; V200-S203 PolarHBondContact O-N 2.65Å; P201-S203 VanDerWaalsContact C-N 3.33Å; P201-S203 PolarHBondContact O-N 3.46Å; S203-F206 PolarHBondContact O-N 2.93Å; S203-Y207 WeakPolarHBondContact O-CB 3.35Å; S203-Y207 PolarHBondContact O-N 3.49Å |
| 204 | V | 95.4 | Very high | 92.4 | Very high | 46 Ų | 46 | 46.5 Ų | 46.5 | 28% | 0.279 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64 | -47.7 | 176.2 | 172.7 | 0 | 0 | 0 | 0 | 110.6 | T117 I121 V200 P201 F206 Y207 C208 | T117-V204 HydrophobicContact CG2-CB 3.94Å; T117-V204 HydrophobicContact CG2-CG1 3.63Å; I121-V204 HydrophobicContact CD1-CG1 4.09Å; I121-V204 HydrophobicContact CG1-CG1 3.9Å; V200-V204 HydrophobicContact CG1-CG2 4.48Å; V200-V204 WeakPolarHBondContact O-CG2 3.49Å; V200-V204 PolarHBondContact O-N 3.5Å; P201-V204 PolarHBondContact O-N 2.93Å; V204-F206 PolarHBondContact O-N 3.45Å; V204-Y207 PolarHBondContact O-N 3.29Å; V204-C208 WeakPolarHBondContact O-CB 3.39Å; V204-C208 PolarHBondContact O-N 2.85Å; V204-C208 PolarHBondContact O-SG 2.98Å; V204-C208 VanDerWaalsContact O-SG 3.34Å |
| 205 | M | 92.1 | Very high | 92 | Very high | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.4 | -46.3 | 177.9 | -70.5 | 179.3 | 95.4 | 0 | 0 | 111.1 | L116 A120 P201 L202 C208 Y209 F249 | L116-M205 HydrophobicContact CB-CE 3.99Å; A120-M205 HydrophobicContact CB-CB 4.29Å; A120-M205 HydrophobicContact CB-CG 3.86Å; P201-M205 WeakPolarHBondContact O-CB 3.25Å; P201-M205 VanDerWaalsContact O-CG 3.23Å; P201-M205 WeakPolarHBondContact O-CG 3.41Å; P201-M205 PolarHBondContact O-N 3.31Å; L202-M205 PolarHBondContact O-N 3.1Å; M205-C208 PolarHBondContact O-N 3.39Å; M205-Y209 HydrophobicContact CB-CD2 4.3Å; M205-Y209 HydrophobicContact CB-CE2 4.29Å; M205-Y209 HydrophobicContact CE-CE2 4.19Å; M205-Y209 WeakPolarHBondContact O-CB 3.16Å; M205-Y209 WeakPolarHBondContact O-CD2 3.3Å; M205-Y209 PolarHBondContact O-N 2.86Å; M205-F249 HydrophobicContact SD-CD2 4.14Å; M205-F249 HydrophobicContact SD-CE2 4.47Å; M205-F249 HydrophobicContact SD-CG 4.27Å |
| 206 | F | 92.5 | Very high | 91.2 | Very high | 128 Ų | 128 | 45.2 Ų | 45.2 | 56% | 0.561 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -60.1 | -49 | 176.9 | -175 | -95.3 | 0 | 0 | 0 | 111.5 | L202 S203 V204 C208 Y209 Y210 | L202-F206 VanDerWaalsContact O-CB 3.32Å; L202-F206 WeakPolarHBondContact O-CB 3.35Å; L202-F206 PolarHBondContact O-N 3.35Å; S203-F206 PolarHBondContact O-N 2.93Å; V204-F206 PolarHBondContact O-N 3.45Å; F206-C208 PolarHBondContact O-N 3.48Å; F206-Y209 PolarHBondContact O-N 3.45Å; F206-Y210 WeakPolarHBondContact O-CB 3.47Å; F206-Y210 PolarHBondContact O-N 2.74Å |
| 207 | Y | 94.8 | Very high | 90.6 | Very high | 126 Ų | 126 | 48.8 Ų | 48.8 | 49% | 0.494 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -58.3 | -49.4 | 177.3 | 174.6 | -94.4 | 0 | 0 | 0 | 112.1 | Y124 S203 V204 N211 | Y124-Y207 HydrophobicContact CE2-CE1 4.41Å; S203-Y207 WeakPolarHBondContact O-CB 3.35Å; S203-Y207 PolarHBondContact O-N 3.49Å; V204-Y207 PolarHBondContact O-N 3.29Å; Y207-N211 WeakPolarHBondContact CD2-ND2 3.49Å; Y207-N211 WeakPolarHBondContact CE2-ND2 3.31Å; Y207-N211 VanDerWaalsContact CZ-ND2 3.26Å; Y207-N211 PolarHBondContact O-N 2.94Å; Y207-N211 VanDerWaalsContact O-N 3.13Å; Y207-N211 PolarHBondContact O-ND2 2.93Å |
| 208 | C | 92.2 | Very high | 89.9 | Confident | 5 Ų | 5 | 56.7 Ų | 56.7 | 3% | 0.034 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.1 | -51.9 | -179.7 | -75.5 | 0 | 0 | 0 | 0 | 111.2 | A120 Y124 V204 M205 F206 N211 V212 | A120-C208 HydrophobicContact CB-CB 4.14Å; Y124-C208 HydrophobicContact CG-CB 4.43Å; V204-C208 WeakPolarHBondContact O-CB 3.39Å; V204-C208 PolarHBondContact O-N 2.85Å; V204-C208 PolarHBondContact O-SG 2.98Å; V204-C208 VanDerWaalsContact O-SG 3.34Å; M205-C208 PolarHBondContact O-N 3.39Å; F206-C208 PolarHBondContact O-N 3.48Å; C208-N211 PolarHBondContact O-N 3.35Å; C208-V212 VanDerWaalsContact O-CG2 3.27Å; C208-V212 WeakPolarHBondContact O-CG2 3.37Å; C208-V212 PolarHBondContact O-N 2.97Å |
| 209 | Y | 88.6 | Confident | 89 | Confident | 3 Ų | 3 | 61.3 Ų | 61.3 | 1% | 0.012 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -73.4 | -30.2 | -176.4 | -70.2 | -48.9 | 0 | 0 | 0 | 113.9 | A120 R123 M205 F206 V212 S213 S242 M245 I246 | A120-Y209 HydrophobicContact CB-CD2 4.34Å; A120-Y209 HydrophobicContact CB-CE1 4.33Å; A120-Y209 HydrophobicContact CB-CE2 3.66Å; R123-Y209 HydrophobicContact CB-CE1 4.29Å; R123-Y209 HydrophobicContact CG-CE1 4.36Å; M205-Y209 HydrophobicContact CB-CD2 4.3Å; M205-Y209 HydrophobicContact CB-CE2 4.29Å; M205-Y209 HydrophobicContact CE-CE2 4.19Å; M205-Y209 WeakPolarHBondContact O-CB 3.16Å; M205-Y209 WeakPolarHBondContact O-CD2 3.3Å; M205-Y209 PolarHBondContact O-N 2.86Å; F206-Y209 PolarHBondContact O-N 3.45Å; Y209-V212 PolarHBondContact O-N 2.89Å; Y209-S213 WeakPolarHBondContact O-CB 3.47Å; Y209-S213 PolarHBondContact O-N 2.8Å; Y209-S213 PolarHBondContact O-OG 2.99Å; Y209-S242 VanDerWaalsContact CD1-OG 3.27Å; Y209-S242 WeakPolarHBondContact CD1-OG 3.11Å; Y209-M245 HydrophobicContact CE1-SD 4.48Å; Y209-M245 HydrophobicContact CE2-CB 4.22Å; Y209-M245 WeakPolarHBondContact OH-CE 3.21Å; Y209-M245 PolarHBondContact OH-SD 3.44Å; Y209-I246 HydrophobicContact CD2-CD1 3.75Å; Y209-I246 HydrophobicContact CD2-CG1 3.65Å; Y209-I246 HydrophobicContact CE2-CG1 4.26Å; Y209-I246 HydrophobicContact CG-CD1 4.23Å |
| 210 | Y | 90.3 | Very high | 87.7 | Confident | 139 Ų | 139 | 64.7 Ų | 64.7 | 55% | 0.545 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60 | -51.6 | 170.5 | 174.9 | -96.7 | 0 | 0 | 0 | 110.5 | F206 V212 S213 V214 | F206-Y210 WeakPolarHBondContact O-CB 3.47Å; F206-Y210 PolarHBondContact O-N 2.74Å; Y210-V212 PolarHBondContact O-N 3.47Å; Y210-S213 WeakPolarHBondContact O-CB 3.44Å; Y210-S213 PolarHBondContact O-N 3.13Å; Y210-S213 VanDerWaalsContact O-N 3.17Å; Y210-V214 HydrophobicContact CD1-CG2 4.29Å; Y210-V214 HydrophobicContact CE1-CG2 3.84Å; Y210-V214 HydrophobicContact CE2-CG2 4.18Å; Y210-V214 WeakPolarHBondContact O-CG2 3.39Å; Y210-V214 PolarHBondContact O-N 3.31Å |
| 211 | N | 90.2 | Very high | 86.4 | Confident | 38 Ų | 38 | 66.5 Ų | 66.5 | 20% | 0.203 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.9 | -40.3 | 178.9 | -75.9 | -66.5 | 0 | 0 | 0 | 112.3 | Y124 C128 Y207 C208 S213 V214 T215 | Y124-N211 HydrophobicContact CD2-CB 3.81Å; Y124-N211 HydrophobicContact CE2-CB 3.62Å; C128-N211 VanDerWaalsContact SG-C 3.54Å; C128-N211 PolarHBondContact SG-O 3.23Å; Y207-N211 WeakPolarHBondContact CD2-ND2 3.49Å; Y207-N211 WeakPolarHBondContact CE2-ND2 3.31Å; Y207-N211 VanDerWaalsContact CZ-ND2 3.26Å; Y207-N211 PolarHBondContact O-N 2.94Å; Y207-N211 VanDerWaalsContact O-N 3.13Å; Y207-N211 PolarHBondContact O-ND2 2.93Å; C208-N211 PolarHBondContact O-N 3.35Å; N211-S213 VanDerWaalsContact C-N 3.31Å; N211-S213 PolarHBondContact O-N 3.44Å; N211-V214 PolarHBondContact O-N 2.98Å; N211-T215 WeakPolarHBondContact O-CB 3.35Å; N211-T215 PolarHBondContact O-N 3.5Å; N211-T215 PolarHBondContact O-OG1 3.29Å; N211-T215 VanDerWaalsContact O-OG1 3.11Å |
| 212 | V | 86.6 | Confident | 85 | Confident | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -55.4 | -49.2 | 172.5 | 167.3 | 0 | 0 | 0 | 0 | 110.3 | I127 C128 C208 Y209 Y210 V214 T215 V216 V238 | I127-V212 HydrophobicContact CB-CG2 4.47Å; I127-V212 HydrophobicContact CD1-CG1 3.7Å; I127-V212 HydrophobicContact CD1-CG2 4.34Å; I127-V212 HydrophobicContact CG2-CG1 4.45Å; C128-V212 VanDerWaalsContact SG-CA 3.58Å; C208-V212 VanDerWaalsContact O-CG2 3.27Å; C208-V212 WeakPolarHBondContact O-CG2 3.37Å; C208-V212 PolarHBondContact O-N 2.97Å; Y209-V212 PolarHBondContact O-N 2.89Å; Y210-V212 PolarHBondContact O-N 3.47Å; V212-V214 PolarHBondContact O-N 3Å; V212-T215 PolarHBondContact O-N 3.26Å; V212-V216 HydrophobicContact CG1-CG2 4.4Å; V212-V216 WeakPolarHBondContact O-CB 3.4Å; V212-V216 VanDerWaalsContact O-CG2 3.23Å; V212-V216 WeakPolarHBondContact O-CG2 3.3Å; V212-V216 PolarHBondContact O-N 3.47Å; V212-V238 HydrophobicContact CG1-CG1 4.11Å |
| 213 | S | 84.9 | Confident | 83.2 | Confident | 19 Ų | 19 | 73.2 Ų | 73.2 | 13% | 0.133 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.3 | -41.5 | -179.6 | -57.2 | 0 | 0 | 0 | 0 | 112.2 | Y209 Y210 N211 K217 | Y209-S213 WeakPolarHBondContact O-CB 3.47Å; Y209-S213 PolarHBondContact O-N 2.8Å; Y209-S213 PolarHBondContact O-OG 2.99Å; Y210-S213 WeakPolarHBondContact O-CB 3.44Å; Y210-S213 PolarHBondContact O-N 3.13Å; Y210-S213 VanDerWaalsContact O-N 3.17Å; N211-S213 VanDerWaalsContact C-N 3.31Å; N211-S213 PolarHBondContact O-N 3.44Å; S213-K217 WeakPolarHBondContact O-CB 3.47Å; S213-K217 VanDerWaalsContact O-CG 3.28Å; S213-K217 WeakPolarHBondContact O-CG 3.32Å; S213-K217 PolarHBondContact O-N 3.18Å |
| 214 | V | 86.9 | Confident | 81 | Confident | 34 Ų | 34 | 75 Ų | 75 | 21% | 0.206 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -66.7 | -47 | 177.5 | 171.2 | 0 | 0 | 0 | 0 | 111 | Y210 N211 V212 V216 K217 R218 | Y210-V214 HydrophobicContact CD1-CG2 4.29Å; Y210-V214 HydrophobicContact CE1-CG2 3.84Å; Y210-V214 HydrophobicContact CE2-CG2 4.18Å; Y210-V214 WeakPolarHBondContact O-CG2 3.39Å; Y210-V214 PolarHBondContact O-N 3.31Å; N211-V214 PolarHBondContact O-N 2.98Å; V212-V214 PolarHBondContact O-N 3Å; V214-V216 PolarHBondContact O-N 3.46Å; V214-K217 PolarHBondContact O-N 3.4Å; V214-R218 HydrophobicContact CG1-CG 4.42Å; V214-R218 WeakPolarHBondContact O-CG 3.33Å; V214-R218 PolarHBondContact O-N 3.07Å |
| 215 | T | 85.2 | Confident | 78.9 | Confident | 26 Ų | 26 | 79.6 Ų | 79.6 | 16% | 0.16 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -60.5 | -44.9 | 178.7 | -68 | 0 | 0 | 0 | 0 | 111.2 | I127 C128 N211 V212 K217 R218 Y219 | I127-T215 HydrophobicContact CG2-CG2 4.16Å; C128-T215 PolarHBondContact SG-OG1 3.5Å; N211-T215 WeakPolarHBondContact O-CB 3.35Å; N211-T215 PolarHBondContact O-N 3.5Å; N211-T215 PolarHBondContact O-OG1 3.29Å; N211-T215 VanDerWaalsContact O-OG1 3.11Å; V212-T215 PolarHBondContact O-N 3.26Å; T215-K217 PolarHBondContact O-N 2.99Å; T215-R218 PolarHBondContact O-N 2.82Å; T215-Y219 HydrophobicContact CG2-CD2 3.74Å; T215-Y219 HydrophobicContact CG2-CE2 3.29Å; T215-Y219 WeakPolarHBondContact O-CD2 3.47Å; T215-Y219 PolarHBondContact O-N 3.18Å |
| 216 | V | 80.1 | Confident | 77 | Confident | 12 Ų | 12 | 87.9 Ų | 87.9 | 7% | 0.073 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -61.6 | -42.9 | 176.4 | 171.8 | 0 | 0 | 0 | 0 | 111.3 | I127 V212 V214 R218 Y219 K220 Q235 | I127-V216 HydrophobicContact CG2-CG2 4.1Å; V212-V216 HydrophobicContact CG1-CG2 4.4Å; V212-V216 WeakPolarHBondContact O-CB 3.4Å; V212-V216 VanDerWaalsContact O-CG2 3.23Å; V212-V216 WeakPolarHBondContact O-CG2 3.3Å; V212-V216 PolarHBondContact O-N 3.47Å; V214-V216 PolarHBondContact O-N 3.46Å; V216-R218 PolarHBondContact O-N 2.98Å; V216-Y219 PolarHBondContact O-N 2.93Å; V216-K220 PolarHBondContact O-N 3.4Å; V216-Q235 HydrophobicContact CG1-CB 3.99Å |
| 217 | K | 81.3 | Confident | 74.6 | Confident | 138 Ų | 138 | 87.4 Ų | 87.4 | 60% | 0.6 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -62.8 | -40.5 | 174.7 | -75.3 | 176.9 | -176.7 | -177 | 0 | 112.4 | S213 V214 T215 K220 T221 | S213-K217 WeakPolarHBondContact O-CB 3.47Å; S213-K217 VanDerWaalsContact O-CG 3.28Å; S213-K217 WeakPolarHBondContact O-CG 3.32Å; S213-K217 PolarHBondContact O-N 3.18Å; V214-K217 PolarHBondContact O-N 3.4Å; T215-K217 PolarHBondContact O-N 2.99Å; K217-K220 WeakPolarHBondContact O-CB 3.43Å; K217-K220 PolarHBondContact O-N 3.12Å; K217-K220 VanDerWaalsContact O-N 3.15Å; K217-T221 PolarHBondContact O-N 2.93Å; K217-T221 PolarHBondContact O-OG1 3.18Å |
| 218 | R | 80.3 | Confident | 72.3 | Confident | 170 Ų | 170 | 87.2 Ų | 87.2 | 64% | 0.642 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -63.4 | -44.9 | 177.8 | -74.2 | 177.3 | -177.5 | -175.9 | 1.8 | 111.9 | V214 T215 V216 K220 T221 S222 | V214-R218 HydrophobicContact CG1-CG 4.42Å; V214-R218 WeakPolarHBondContact O-CG 3.33Å; V214-R218 PolarHBondContact O-N 3.07Å; T215-R218 PolarHBondContact O-N 2.82Å; V216-R218 PolarHBondContact O-N 2.98Å; R218-K220 PolarHBondContact O-N 3.28Å; R218-T221 PolarHBondContact O-N 2.85Å; R218-T221 VanDerWaalsContact O-N 3.08Å; R218-S222 WeakPolarHBondContact O-CB 3.46Å; R218-S222 PolarHBondContact O-N 2.86Å; R218-S222 PolarHBondContact O-OG 3.26Å |
| 219 | Y | 73.9 | Confident | 70.1 | Confident | 127 Ų | 127 | 95 Ų | 95 | 50% | 0.498 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -58.5 | -33.4 | 173.7 | -73.7 | -57.9 | 0 | 0 | 0 | 112.5 | T215 V216 | T215-Y219 HydrophobicContact CG2-CD2 3.74Å; T215-Y219 HydrophobicContact CG2-CE2 3.29Å; T215-Y219 WeakPolarHBondContact O-CD2 3.47Å; T215-Y219 PolarHBondContact O-N 3.18Å; V216-Y219 PolarHBondContact O-N 2.93Å |
| 220 | K | 67.6 | Low | 68.4 | Low | 145 Ų | 145 | 98.5 Ų | 98.5 | 63% | 0.63 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -68.2 | -39.4 | 174.3 | -173.8 | 179.7 | 177.9 | -179.9 | 0 | 113.2 | V216 K217 R218 W232 | V216-K220 PolarHBondContact O-N 3.4Å; K217-K220 WeakPolarHBondContact O-CB 3.43Å; K217-K220 PolarHBondContact O-N 3.12Å; K217-K220 VanDerWaalsContact O-N 3.15Å; R218-K220 PolarHBondContact O-N 3.28Å; K220-W232 HydrophobicContact CB-CZ3 3.99Å; K220-W232 HydrophobicContact CG-CZ3 3.98Å |
| 221 | T | 68.6 | Low | 66.7 | Low | 122 Ų | 122 | 95.3 Ų | 95.3 | 75% | 0.748 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -83.4 | -31.2 | -177.2 | -55.6 | 0 | 0 | 0 | 0 | 113.2 | K217 R218 | K217-T221 PolarHBondContact O-N 2.93Å; K217-T221 PolarHBondContact O-OG1 3.18Å; R218-T221 PolarHBondContact O-N 2.85Å; R218-T221 VanDerWaalsContact O-N 3.08Å |
| 222 | S | 65.2 | Low | 64.7 | Low | 93 Ų | 93 | 99.3 Ų | 99.3 | 65% | 0.65 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -81.1 | -13.4 | -176.9 | -63.1 | 0 | 0 | 0 | 0 | 114.5 | R218 C224 | R218-S222 WeakPolarHBondContact O-CB 3.46Å; R218-S222 PolarHBondContact O-N 2.86Å; R218-S222 PolarHBondContact O-OG 3.26Å; S222-C224 VanDerWaalsContact C-N 3.3Å; S222-C224 PolarHBondContact O-N 2.94Å |
| 223 | N | 54.5 | Low | 63.1 | Low | 98 Ų | 98 | 102 Ų | 102 | 52% | 0.524 | 53% | 0.529 | S | S | . | . | trans | -80.5 | 79.2 | 171.1 | -81.9 | -2 | 0 | 0 | 0 | 110.5 | W232 | N223-W232 HydrophobicContact CB-CH2 4.32Š| ||
| 224 | C | 49.8 | Very low | 61.7 | Low | 105 Ų | 105 | 104.4 Ų | 104.4 | 71% | 0.709 | 54% | 0.541 | S | S | * | . | trans | -65.4 | 122.8 | 151.7 | -173.6 | 0 | 0 | 0 | 0 | 108.1 | S222 | S222-C224 VanDerWaalsContact C-N 3.3Å; S222-C224 PolarHBondContact O-N 2.94Å | ||
| 225 | L | 51.4 | Low | 60.3 | Low | 142 Ų | 142 | 105.8 Ų | 105.8 | 74% | 0.743 | 55% | 0.545 | S | S | * | . | S | Bend | trans | 51.7 | 115.7 | 162.8 | -71.2 | 161.3 | 0 | 0 | 0 | 118.8 | ||
| 226 | E | 51.8 | Low | 58.9 | Low | 176 Ų | 176 | 111.1 Ų | 111.1 | 82% | 0.822 | 57% | 0.57 | S | S | * | * | S | Bend | trans | 69.5 | 102.8 | 135.1 | -150.6 | 159 | -160.3 | 0 | 0 | 118.1 | ||
| 227 | S | 42 | Very low | 58.3 | Low | 118 Ų | 118 | 112.7 Ų | 112.7 | 83% | 0.825 | 58% | 0.578 | S | S | * | * | trans | 146.6 | -4.6 | 136.8 | 63.4 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 228 | I | 48.2 | Very low | 57.6 | Low | 122 Ų | 122 | 108 Ų | 108 | 63% | 0.626 | 56% | 0.56 | S | S | * | * | trans | -118.5 | 111.6 | 173.9 | -36.8 | -177.7 | 0 | 0 | 0 | 110.7 | I230 | I228-I230 HydrophobicContact CB-CD1 3.93Å; I228-I230 HydrophobicContact CB-CG1 4.02Å; I228-I230 HydrophobicContact CD1-CD1 4.4Å; I228-I230 HydrophobicContact CG2-CD1 3.81Å; I228-I230 HydrophobicContact CG2-CG1 3.53Å; I228-I230 PolarHBondContact O-N 3.33Å | ||
| 229 | N | 45.9 | Very low | 57.1 | Low | 168 Ų | 168 | 101.1 Ų | 101.1 | 90% | 0.898 | 54% | 0.537 | S | S | * | . | trans | -63.6 | 49.5 | 166.8 | -159.7 | 19.5 | 0 | 0 | 0 | 110.9 | D231 | N229-D231 PolarHBondContact O-N 2.92Š| ||
| 230 | I | 51.3 | Low | 57.2 | Low | 76 Ų | 76 | 101 Ų | 101 | 39% | 0.39 | 54% | 0.54 | S | S | . | . | trans | -70.2 | 119.2 | 170.3 | -72.3 | 160.9 | 0 | 0 | 0 | 105.5 | I228 W232 | I228-I230 HydrophobicContact CB-CD1 3.93Å; I228-I230 HydrophobicContact CB-CG1 4.02Å; I228-I230 HydrophobicContact CD1-CD1 4.4Å; I228-I230 HydrophobicContact CG2-CD1 3.81Å; I228-I230 HydrophobicContact CG2-CG1 3.53Å; I228-I230 PolarHBondContact O-N 3.33Å; I230-W232 VanDerWaalsContact O-CD1 3.25Å; I230-W232 PolarHBondContact O-N 3.4Å | ||
| 231 | D | 54.7 | Low | 57.4 | Low | 72 Ų | 72 | 94.8 Ų | 94.8 | 39% | 0.385 | 51% | 0.513 | S | S | . | . | trans | -57.2 | 94.8 | -175.6 | -172.2 | 28 | 0 | 0 | 0 | 110.6 | N229 S233 D234 K299 | N229-D231 PolarHBondContact O-N 2.92Å; D231-S233 PolarHBondContact O-N 3.07Å; D231-S233 VanDerWaalsContact O-N 3.1Å; D231-S233 VanDerWaalsContact OD1-CB 3.31Å; D231-S233 WeakPolarHBondContact OD1-CB 3.48Å; D231-D234 HydrophobicContact CB-CB 4.16Å; D231-D234 VanDerWaalsContact O-CB 3.28Å; D231-D234 WeakPolarHBondContact O-CB 3.35Å; D231-D234 PolarHBondContact O-N 3.44Å; D231-D234 PolarHBondContact OD2-N 2.93Å; D231-K299 IonicContact OD2-NZ 2.61Å; D231-K299 PolarHBondContact OD2-NZ 3.34Å | ||
| 232 | W | 48.4 | Very low | 57.6 | Low | 123 Ų | 123 | 89.2 Ų | 89.2 | 47% | 0.466 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -59.4 | -22.8 | 178.7 | -65.7 | 100.8 | 0 | 0 | 0 | 112.2 | K220 N223 I230 Q235 M236 | K220-W232 HydrophobicContact CB-CZ3 3.99Å; K220-W232 HydrophobicContact CG-CZ3 3.98Å; N223-W232 HydrophobicContact CB-CH2 4.32Å; I230-W232 VanDerWaalsContact O-CD1 3.25Å; I230-W232 PolarHBondContact O-N 3.4Å; W232-Q235 PolarHBondContact O-N 3.16Å; W232-M236 PolarHBondContact O-N 2.92Å |
| 233 | S | 53.6 | Low | 58.3 | Low | 55 Ų | 55 | 89 Ų | 89 | 39% | 0.385 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.5 | -40.1 | 169.3 | 166.8 | 0 | 0 | 0 | 0 | 112.2 | D231 Q235 D237 K299 | D231-S233 PolarHBondContact O-N 3.07Å; D231-S233 VanDerWaalsContact O-N 3.1Å; D231-S233 VanDerWaalsContact OD1-CB 3.31Å; D231-S233 WeakPolarHBondContact OD1-CB 3.48Å; S233-Q235 VanDerWaalsContact C-N 3.29Å; S233-Q235 PolarHBondContact O-N 3.12Å; S233-D237 WeakPolarHBondContact O-CB 3.42Å; S233-D237 VanDerWaalsContact O-CG 3.25Å; S233-D237 PolarHBondContact O-N 2.66Å; S233-D237 VanDerWaalsContact O-N 3.15Å; S233-K299 PolarHBondContact OG-NZ 3.49Å |
| 234 | D | 56.2 | Low | 59.6 | Low | 70 Ų | 70 | 87.1 Ų | 87.1 | 37% | 0.374 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -59.4 | -39.5 | 176.4 | -79.9 | -26.4 | 0 | 0 | 0 | 111.7 | D231 V238 K299 | D231-D234 HydrophobicContact CB-CB 4.16Å; D231-D234 VanDerWaalsContact O-CB 3.28Å; D231-D234 WeakPolarHBondContact O-CB 3.35Å; D231-D234 PolarHBondContact O-N 3.44Å; D231-D234 PolarHBondContact OD2-N 2.93Å; D234-V238 VanDerWaalsContact O-CG2 3.3Å; D234-V238 WeakPolarHBondContact O-CG2 3.41Å; D234-V238 PolarHBondContact O-N 3.45Å; D234-K299 WeakPolarHBondContact OD1-CD 3.39Å; D234-K299 WeakPolarHBondContact OD1-CE 3.38Å; D234-K299 IonicContact OD1-NZ 3.52Å; D234-K299 PolarHBondContact OD1-NZ 3.29Å |
| 235 | Q | 57.2 | Low | 61 | Low | 63 Ų | 63 | 82.6 Ų | 82.6 | 29% | 0.294 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -76.3 | -39.4 | -175.2 | -63.5 | -64.2 | -20.3 | 0 | 0 | 113.2 | V216 W232 S233 D237 V238 T239 | V216-Q235 HydrophobicContact CG1-CB 3.99Å; W232-Q235 PolarHBondContact O-N 3.16Å; S233-Q235 VanDerWaalsContact C-N 3.29Å; S233-Q235 PolarHBondContact O-N 3.12Å; Q235-D237 VanDerWaalsContact C-N 3.31Å; Q235-V238 PolarHBondContact O-N 2.85Å; Q235-T239 PolarHBondContact O-N 3.38Å |
| 236 | M | 55.8 | Low | 62.5 | Low | 139 Ų | 139 | 77.1 Ų | 77.1 | 69% | 0.685 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -68.7 | -33.8 | 177.2 | -161.2 | 165 | 69.9 | 0 | 0 | 111.5 | W232 K240 | W232-M236 PolarHBondContact O-N 2.92Å; M236-K240 WeakPolarHBondContact O-CB 3.45Å; M236-K240 PolarHBondContact O-N 3.09Å |
| 237 | D | 67.1 | Low | 64.2 | Low | 44 Ų | 44 | 73.1 Ų | 73.1 | 24% | 0.235 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -62.5 | -45.5 | 172.1 | -76.8 | -15.8 | 0 | 0 | 0 | 111 | S233 Q235 T239 K240 M241 K299 | S233-D237 WeakPolarHBondContact O-CB 3.42Å; S233-D237 VanDerWaalsContact O-CG 3.25Å; S233-D237 PolarHBondContact O-N 2.66Å; S233-D237 VanDerWaalsContact O-N 3.15Å; Q235-D237 VanDerWaalsContact C-N 3.31Å; D237-T239 PolarHBondContact O-N 2.96Å; D237-K240 PolarHBondContact O-N 3.36Å; D237-M241 WeakPolarHBondContact O-CB 3.31Å; D237-M241 WeakPolarHBondContact O-CG 3.41Å; D237-M241 PolarHBondContact O-N 3.12Å; D237-K299 WeakPolarHBondContact OD2-CE 3.29Å; D237-K299 IonicContact OD2-NZ 2.97Å |
| 238 | V | 66.4 | Low | 66.3 | Low | 39 Ų | 39 | 69.2 Ų | 69.2 | 24% | 0.236 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61.6 | -42.6 | -178 | 171.6 | 0 | 0 | 0 | 0 | 113.5 | I127 V212 D234 Q235 M241 S242 | I127-V238 HydrophobicContact CD1-CG1 3.64Å; V212-V238 HydrophobicContact CG1-CG1 4.11Å; D234-V238 VanDerWaalsContact O-CG2 3.3Å; D234-V238 WeakPolarHBondContact O-CG2 3.41Å; D234-V238 PolarHBondContact O-N 3.45Å; Q235-V238 PolarHBondContact O-N 2.85Å; V238-M241 PolarHBondContact O-N 3.29Å; V238-S242 PolarHBondContact O-N 3.12Å; V238-S242 PolarHBondContact O-OG 3.14Å |
| 239 | T | 70.5 | Confident | 68.1 | Low | 26 Ų | 26 | 63.7 Ų | 63.7 | 16% | 0.16 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -67.6 | -44.2 | 178.8 | -58.5 | 0 | 0 | 0 | 0 | 111.2 | Q235 D237 M241 S242 I243 | Q235-T239 PolarHBondContact O-N 3.38Å; D237-T239 PolarHBondContact O-N 2.96Å; T239-M241 VanDerWaalsContact C-N 3.29Å; T239-M241 PolarHBondContact O-N 3.04Å; T239-S242 WeakPolarHBondContact O-CB 3.38Å; T239-S242 PolarHBondContact O-N 3.03Å; T239-I243 HydrophobicContact CG2-CD1 4.44Å; T239-I243 PolarHBondContact O-N 3.31Å |
| 240 | K | 74.4 | Confident | 70.2 | Confident | 126 Ų | 126 | 58.6 Ų | 58.6 | 55% | 0.548 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -58.9 | -43.3 | 176 | -178.1 | -179.7 | 175.6 | -179.7 | 0 | 111.1 | M236 D237 I243 I244 | M236-K240 WeakPolarHBondContact O-CB 3.45Å; M236-K240 PolarHBondContact O-N 3.09Å; D237-K240 PolarHBondContact O-N 3.36Å; K240-I243 PolarHBondContact O-N 3.32Å; K240-I244 HydrophobicContact CD-CD1 4.49Å; K240-I244 HydrophobicContact CG-CD1 3.77Å; K240-I244 WeakPolarHBondContact O-CD1 3.21Å; K240-I244 VanDerWaalsContact O-CG1 3.23Å; K240-I244 WeakPolarHBondContact O-CG1 3.25Å; K240-I244 PolarHBondContact O-N 3.34Å |
| 241 | M | 72.6 | Confident | 72 | Confident | 13 Ų | 13 | 57.9 Ų | 57.9 | 6% | 0.064 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.1 | -40.2 | 179.5 | -67.5 | -67 | 117.7 | 0 | 0 | 112.4 | D237 V238 T239 I243 I244 M245 I296 A297 | D237-M241 WeakPolarHBondContact O-CB 3.31Å; D237-M241 WeakPolarHBondContact O-CG 3.41Å; D237-M241 PolarHBondContact O-N 3.12Å; V238-M241 PolarHBondContact O-N 3.29Å; T239-M241 VanDerWaalsContact C-N 3.29Å; T239-M241 PolarHBondContact O-N 3.04Å; M241-I243 PolarHBondContact O-N 3.13Å; M241-I244 HydrophobicContact CE-CD1 3.58Å; M241-I244 PolarHBondContact O-N 2.95Å; M241-M245 VanDerWaalsContact O-CG 3.25Å; M241-M245 WeakPolarHBondContact O-CG 3.45Å; M241-M245 PolarHBondContact O-N 3.03Å; M241-I296 HydrophobicContact CE-CB 4.36Å; M241-I296 HydrophobicContact CE-CG2 3.31Å; M241-I296 VanDerWaalsContact SD-C 3.51Å; M241-I296 HydrophobicContact SD-CB 3.86Å; M241-I296 HydrophobicContact SD-CG2 3.42Å; M241-I296 WeakPolarHBondContact SD-CG2 3.43Å; M241-A297 HydrophobicContact CB-CB 3.95Å; M241-A297 HydrophobicContact CG-CB 3.94Å; M241-A297 VanDerWaalsContact SD-CA 3.57Å; M241-A297 HydrophobicContact SD-CB 3.99Å |
| 242 | S | 73.5 | Confident | 73.6 | Confident | 5 Ų | 5 | 54.5 Ų | 54.5 | 4% | 0.035 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.7 | -42.7 | 176.6 | -59.2 | 0 | 0 | 0 | 0 | 112.6 | Y209 V238 T239 M245 I246 | Y209-S242 VanDerWaalsContact CD1-OG 3.27Å; Y209-S242 WeakPolarHBondContact CD1-OG 3.11Å; V238-S242 PolarHBondContact O-N 3.12Å; V238-S242 PolarHBondContact O-OG 3.14Å; T239-S242 WeakPolarHBondContact O-CB 3.38Å; T239-S242 PolarHBondContact O-N 3.03Å; S242-M245 PolarHBondContact O-N 3.3Å; S242-I246 PolarHBondContact O-N 3.34Å |
| 243 | I | 78.4 | Confident | 75.6 | Confident | 89 Ų | 89 | 50 Ų | 50 | 46% | 0.456 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -66.1 | -46.2 | 176.5 | -66.9 | 169.9 | 0 | 0 | 0 | 110.6 | T239 K240 M241 M245 I246 I247 | T239-I243 HydrophobicContact CG2-CD1 4.44Å; T239-I243 PolarHBondContact O-N 3.31Å; K240-I243 PolarHBondContact O-N 3.32Å; M241-I243 PolarHBondContact O-N 3.13Å; I243-M245 VanDerWaalsContact C-N 3.26Å; I243-M245 PolarHBondContact O-N 2.64Å; I243-I246 PolarHBondContact O-N 3.05Å; I243-I247 HydrophobicContact CG2-CD1 3.66Å; I243-I247 HydrophobicContact CG2-CG1 4.36Å; I243-I247 WeakPolarHBondContact O-CG1 3.31Å; I243-I247 PolarHBondContact O-N 3.37Å |
| 244 | I | 82.4 | Confident | 77.4 | Confident | 58 Ų | 58 | 48.6 Ų | 48.6 | 30% | 0.297 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -58.7 | -42.1 | 178.8 | -67.4 | 164.3 | 0 | 0 | 0 | 109.6 | K240 M241 I246 I247 M248 | K240-I244 HydrophobicContact CD-CD1 4.49Å; K240-I244 HydrophobicContact CG-CD1 3.77Å; K240-I244 WeakPolarHBondContact O-CD1 3.21Å; K240-I244 VanDerWaalsContact O-CG1 3.23Å; K240-I244 WeakPolarHBondContact O-CG1 3.25Å; K240-I244 PolarHBondContact O-N 3.34Å; M241-I244 HydrophobicContact CE-CD1 3.58Å; M241-I244 PolarHBondContact O-N 2.95Å; I244-I246 PolarHBondContact O-N 3.41Å; I244-I247 PolarHBondContact O-N 2.94Å; I244-M248 HydrophobicContact CB-CE 4.25Å; I244-M248 HydrophobicContact CG2-CE 3.22Å; I244-M248 HydrophobicContact CG2-CG 4.33Å; I244-M248 HydrophobicContact CG2-SD 3.85Å; I244-M248 VanDerWaalsContact O-CE 3.3Å; I244-M248 WeakPolarHBondContact O-CE 3.47Å; I244-M248 WeakPolarHBondContact O-CG 3.12Å; I244-M248 PolarHBondContact O-N 2.87Å |
| 245 | M | 78.9 | Confident | 79.1 | Confident | 11 Ų | 11 | 46.8 Ų | 46.8 | 5% | 0.054 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57.5 | -47.1 | 177 | -75.5 | -177.5 | 76.6 | 0 | 0 | 113.7 | L116 V119 Y209 M241 S242 I243 M248 F249 I293 | L116-M245 HydrophobicContact CD2-CE 4.46Å; V119-M245 HydrophobicContact CG1-CE 3.86Å; Y209-M245 HydrophobicContact CE1-SD 4.48Å; Y209-M245 HydrophobicContact CE2-CB 4.22Å; Y209-M245 WeakPolarHBondContact OH-CE 3.21Å; Y209-M245 PolarHBondContact OH-SD 3.44Å; M241-M245 VanDerWaalsContact O-CG 3.25Å; M241-M245 WeakPolarHBondContact O-CG 3.45Å; M241-M245 PolarHBondContact O-N 3.03Å; S242-M245 PolarHBondContact O-N 3.3Å; I243-M245 VanDerWaalsContact C-N 3.26Å; I243-M245 PolarHBondContact O-N 2.64Å; M245-M248 PolarHBondContact O-N 2.95Å; M245-F249 WeakPolarHBondContact O-CB 3.4Å; M245-F249 PolarHBondContact O-N 3.37Å; M245-I293 HydrophobicContact CE-CG2 3.88Å; M245-I293 HydrophobicContact CG-CD1 4.34Å; M245-I293 HydrophobicContact CG-CG2 3.2Å; M245-I293 HydrophobicContact SD-CG2 3.57Å; M245-I293 VanDerWaalsContact SD-CG2 3.57Å |
| 246 | I | 83.3 | Confident | 80.6 | Confident | 27 Ų | 27 | 46 Ų | 46 | 14% | 0.138 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.9 | -45.1 | 177.3 | -65.9 | 166.2 | 0 | 0 | 0 | 110.4 | Y209 S242 I243 I244 M248 F249 L250 | Y209-I246 HydrophobicContact CD2-CD1 3.75Å; Y209-I246 HydrophobicContact CD2-CG1 3.65Å; Y209-I246 HydrophobicContact CE2-CG1 4.26Å; Y209-I246 HydrophobicContact CG-CD1 4.23Å; S242-I246 PolarHBondContact O-N 3.34Å; I243-I246 PolarHBondContact O-N 3.05Å; I244-I246 PolarHBondContact O-N 3.41Å; I246-M248 PolarHBondContact O-N 3.03Å; I246-F249 PolarHBondContact O-N 3.07Å; I246-L250 HydrophobicContact CG2-CD1 3.98Å; I246-L250 HydrophobicContact CG2-CG 4.41Å; I246-L250 WeakPolarHBondContact O-CG 3.38Å; I246-L250 PolarHBondContact O-N 2.85Å |
| 247 | I | 87.3 | Confident | 82.2 | Confident | 92 Ų | 92 | 40 Ų | 40 | 47% | 0.472 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -60.7 | -46.6 | -179.9 | -68.1 | 170.8 | 0 | 0 | 0 | 110.3 | I243 I244 F249 L250 V251 | I243-I247 HydrophobicContact CG2-CD1 3.66Å; I243-I247 HydrophobicContact CG2-CG1 4.36Å; I243-I247 WeakPolarHBondContact O-CG1 3.31Å; I243-I247 PolarHBondContact O-N 3.37Å; I244-I247 PolarHBondContact O-N 2.94Å; I247-F249 VanDerWaalsContact C-N 3.35Å; I247-F249 PolarHBondContact O-N 3.22Å; I247-L250 PolarHBondContact O-N 3.47Å; I247-V251 HydrophobicContact CG2-CG2 4.15Å; I247-V251 WeakPolarHBondContact O-CB 3.45Å; I247-V251 VanDerWaalsContact O-CG2 3.25Å; I247-V251 WeakPolarHBondContact O-CG2 3.27Å; I247-V251 PolarHBondContact O-N 3.09Å |
| 248 | M | 85.4 | Confident | 83.4 | Confident | 36 Ų | 36 | 43.2 Ų | 43.2 | 18% | 0.177 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.2 | -38.4 | 179.5 | -72.3 | 180 | -62.3 | 0 | 0 | 112.2 | I244 M245 I246 V251 A252 I293 | I244-M248 HydrophobicContact CB-CE 4.25Å; I244-M248 HydrophobicContact CG2-CE 3.22Å; I244-M248 HydrophobicContact CG2-CG 4.33Å; I244-M248 HydrophobicContact CG2-SD 3.85Å; I244-M248 VanDerWaalsContact O-CE 3.3Å; I244-M248 WeakPolarHBondContact O-CE 3.47Å; I244-M248 WeakPolarHBondContact O-CG 3.12Å; I244-M248 PolarHBondContact O-N 2.87Å; M245-M248 PolarHBondContact O-N 2.95Å; I246-M248 PolarHBondContact O-N 3.03Å; M248-V251 PolarHBondContact O-N 2.86Å; M248-A252 VanDerWaalsContact O-CB 3.31Å; M248-A252 WeakPolarHBondContact O-CB 3.13Å; M248-A252 PolarHBondContact O-N 3.31Å; M248-I293 HydrophobicContact CE-CB 4.14Å; M248-I293 HydrophobicContact CE-CD1 3.32Å; M248-I293 HydrophobicContact CE-CG1 3.26Å; M248-I293 HydrophobicContact CE-CG2 4.17Å; M248-I293 HydrophobicContact SD-CD1 4.21Å; M248-I293 HydrophobicContact SD-CG1 4Å |
| 249 | F | 86.8 | Confident | 84.4 | Confident | 6 Ų | 6 | 41.6 Ų | 41.6 | 3% | 0.026 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.5 | -48.9 | 172.9 | 178.9 | -90.4 | 0 | 0 | 0 | 111.4 | I113 L116 F198 P201 L202 M205 M245 I246 I247 A252 W253 | I113-F249 HydrophobicContact CB-CE2 4.38Å; I113-F249 HydrophobicContact CG1-CE2 4.06Å; I113-F249 HydrophobicContact CG2-CE2 3.75Å; I113-F249 HydrophobicContact CG2-CZ 4.11Å; L116-F249 HydrophobicContact CD1-CD2 4.36Å; F198-F249 AromaticContact CD2-CE1 3.97Å; F198-F249 HydrophobicContact CD2-CE1 3.97Å; F198-F249 HydrophobicContact CD2-CZ 4.1Å; F198-F249 AromaticContact CE2-CE1 3.84Å; F198-F249 HydrophobicContact CE2-CE1 3.84Å; F198-F249 HydrophobicContact CE2-CZ 4.38Å; P201-F249 HydrophobicContact CB-CZ 4.45Å; L202-F249 HydrophobicContact CB-CE1 4.11Å; L202-F249 HydrophobicContact CD1-CD1 3.93Å; L202-F249 HydrophobicContact CD1-CE1 4.09Å; M205-F249 HydrophobicContact SD-CD2 4.14Å; M205-F249 HydrophobicContact SD-CE2 4.47Å; M205-F249 HydrophobicContact SD-CG 4.27Å; M245-F249 WeakPolarHBondContact O-CB 3.4Å; M245-F249 PolarHBondContact O-N 3.37Å; I246-F249 PolarHBondContact O-N 3.07Å; I247-F249 VanDerWaalsContact C-N 3.35Å; I247-F249 PolarHBondContact O-N 3.22Å; F249-A252 PolarHBondContact O-N 3.06Å; F249-W253 AromaticContact CD2-CD1 3.73Å; F249-W253 AromaticContact CE2-CD1 3.77Å; F249-W253 HydrophobicContact CE2-CG 4.39Å; F249-W253 PolarHBondContact O-N 2.76Å |
| 250 | L | 89.5 | Confident | 85.2 | Confident | 60 Ų | 60 | 41.1 Ų | 41.1 | 31% | 0.314 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -62.4 | -46 | 178.6 | -73.1 | 173.2 | 0 | 0 | 0 | 111.8 | F198 L202 I246 I247 A252 S254 | F198-L250 HydrophobicContact CZ-CD2 4.43Å; L202-L250 HydrophobicContact CD1-CD2 3.69Å; L202-L250 HydrophobicContact CD1-CG 4.12Å; L202-L250 HydrophobicContact CD2-CD2 3.79Å; L202-L250 HydrophobicContact CG-CD2 4.41Å; I246-L250 HydrophobicContact CG2-CD1 3.98Å; I246-L250 HydrophobicContact CG2-CG 4.41Å; I246-L250 WeakPolarHBondContact O-CG 3.38Å; I246-L250 PolarHBondContact O-N 2.85Å; I247-L250 PolarHBondContact O-N 3.47Å; L250-A252 VanDerWaalsContact C-N 3.32Å; L250-A252 PolarHBondContact O-N 3.14Å; L250-S254 WeakPolarHBondContact CA-OG 3.35Å; L250-S254 WeakPolarHBondContact O-CA 3.31Å; L250-S254 WeakPolarHBondContact O-CB 3.49Å; L250-S254 PolarHBondContact O-N 3.43Å; L250-S254 PolarHBondContact O-OG 2.02Å |
| 251 | V | 89.3 | Confident | 85.9 | Confident | 62 Ų | 62 | 37.7 Ų | 37.7 | 38% | 0.376 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -62.6 | -40.1 | 180 | 168.9 | 0 | 0 | 0 | 0 | 111.2 | I247 M248 P255 F282 | I247-V251 HydrophobicContact CG2-CG2 4.15Å; I247-V251 WeakPolarHBondContact O-CB 3.45Å; I247-V251 VanDerWaalsContact O-CG2 3.25Å; I247-V251 WeakPolarHBondContact O-CG2 3.27Å; I247-V251 PolarHBondContact O-N 3.09Å; M248-V251 PolarHBondContact O-N 2.86Å; V251-P255 VanDerWaalsContact O-CD 3.26Å; V251-P255 WeakPolarHBondContact O-CD 3.32Å; V251-P255 WeakPolarHBondContact O-CG 3.26Å; V251-F282 HydrophobicContact CG1-CD1 3.88Å; V251-F282 HydrophobicContact CG1-CE1 3.83Å; V251-F282 WeakPolarHBondContact O-CD1 3.21Å |
| 252 | A | 89.3 | Confident | 86.6 | Confident | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.008 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -70.5 | -49.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | M248 F249 L250 F282 A283 | M248-A252 VanDerWaalsContact O-CB 3.31Å; M248-A252 WeakPolarHBondContact O-CB 3.13Å; M248-A252 PolarHBondContact O-N 3.31Å; F249-A252 PolarHBondContact O-N 3.06Å; L250-A252 VanDerWaalsContact C-N 3.32Å; L250-A252 PolarHBondContact O-N 3.14Å; A252-F282 WeakPolarHBondContact CA-O 3.36Å; A252-F282 CarbonylContact O-C 3.57Å; A252-F282 VanDerWaalsContact O-C 3.27Å; A252-A283 WeakPolarHBondContact O-CA 3.4Å; A252-A283 PolarHBondContact O-N 3.47Å; A252-A283 VanDerWaalsContact O-N 3.12Å |
| 253 | W | 89.7 | Confident | 87.1 | Confident | 28 Ų | 28 | 42.5 Ų | 42.5 | 11% | 0.106 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -102 | -22.5 | -164.6 | -65.2 | 101.2 | 0 | 0 | 0 | 114.8 | I113 F198 F249 Y256 S257 A283 | I113-W253 HydrophobicContact CD1-CD2 3.84Å; I113-W253 HydrophobicContact CD1-CE3 3.91Å; I113-W253 HydrophobicContact CD1-CH2 3.98Å; I113-W253 HydrophobicContact CD1-CZ2 3.91Å; I113-W253 HydrophobicContact CD1-CZ3 3.98Å; I113-W253 HydrophobicContact CG1-CD2 4.17Å; I113-W253 HydrophobicContact CG1-CH2 4.33Å; I113-W253 HydrophobicContact CG1-CZ2 3.78Å; F198-W253 HydrophobicContact CD2-CB 4.02Å; F198-W253 HydrophobicContact CE2-CB 3.79Å; F249-W253 AromaticContact CD2-CD1 3.73Å; F249-W253 AromaticContact CE2-CD1 3.77Å; F249-W253 HydrophobicContact CE2-CG 4.39Å; F249-W253 PolarHBondContact O-N 2.76Å; W253-Y256 PolarHBondContact O-N 2.89Å; W253-S257 WeakPolarHBondContact O-CB 3.21Å; W253-S257 PolarHBondContact O-N 3.44Å; W253-S257 PolarHBondContact O-OG 3.35Å; W253-A283 HydrophobicContact CE3-CB 4.1Å; W253-A283 HydrophobicContact CZ3-CB 4.11Å |
| 254 | S | 90.9 | Very high | 87.4 | Confident | 26 Ų | 26 | 38.5 Ų | 38.5 | 18% | 0.182 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.2 | -43 | -178.7 | -50 | 0 | 0 | 0 | 0 | 113.1 | L250 Y256 S257 L258 | L250-S254 WeakPolarHBondContact CA-OG 3.35Å; L250-S254 WeakPolarHBondContact O-CA 3.31Å; L250-S254 WeakPolarHBondContact O-CB 3.49Å; L250-S254 PolarHBondContact O-N 3.43Å; L250-S254 PolarHBondContact O-OG 2.02Å; S254-Y256 VanDerWaalsContact C-N 3.28Å; S254-Y256 PolarHBondContact O-N 2.93Å; S254-S257 PolarHBondContact O-N 3.48Å; S254-L258 WeakPolarHBondContact O-CB 3.49Å; S254-L258 VanDerWaalsContact O-CG 3.3Å; S254-L258 WeakPolarHBondContact O-CG 3.43Å; S254-L258 PolarHBondContact O-N 3.42Å |
| 255 | P | 92.2 | Very high | 87.6 | Confident | 31 Ų | 31 | 42.8 Ų | 42.8 | 20% | 0.201 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -56 | -45.1 | 178.5 | -26.7 | 36.1 | 0 | 0 | 0 | 112 | V251 V259 A279 F282 | V251-P255 VanDerWaalsContact O-CD 3.26Å; V251-P255 WeakPolarHBondContact O-CD 3.32Å; V251-P255 WeakPolarHBondContact O-CG 3.26Å; P255-V259 VanDerWaalsContact O-CG2 3.31Å; P255-V259 WeakPolarHBondContact O-CG2 3Å; P255-V259 PolarHBondContact O-N 3.25Å; P255-V259 VanDerWaalsContact O-N 3.13Å; P255-A279 HydrophobicContact CB-CB 3.99Å; P255-F282 HydrophobicContact CB-CB 4.43Å; P255-F282 HydrophobicContact CG-CB 4.16Å; P255-F282 HydrophobicContact CG-CD1 4.5Å; P255-F282 HydrophobicContact CG-CG 4.26Å |
| 256 | Y | 89.3 | Confident | 87.7 | Confident | 48 Ų | 48 | 43.7 Ų | 43.7 | 19% | 0.188 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.2 | -45.9 | 177.1 | -171.4 | -105.6 | 0 | 0 | 0 | 112.1 | T176 W253 S254 L258 V259 C260 P280 A283 | T176-Y256 PolarHBondContact OG1-OH 3.01Å; W253-Y256 PolarHBondContact O-N 2.89Å; S254-Y256 VanDerWaalsContact C-N 3.28Å; S254-Y256 PolarHBondContact O-N 2.93Å; Y256-L258 VanDerWaalsContact C-N 3.34Å; Y256-L258 PolarHBondContact O-N 3.07Å; Y256-V259 PolarHBondContact O-N 2.98Å; Y256-C260 PolarHBondContact O-N 2.99Å; Y256-C260 PolarHBondContact O-SG 3.43Å; Y256-C260 VanDerWaalsContact O-SG 3.33Å; Y256-P280 HydrophobicContact CD2-CB 4.49Å; Y256-P280 HydrophobicContact CD2-CG 4.01Å; Y256-P280 HydrophobicContact CE2-CG 4.07Å; Y256-A283 HydrophobicContact CG-CB 4.48Å |
| 257 | S | 89.9 | Confident | 87.5 | Confident | 12 Ų | 12 | 46.3 Ų | 46.3 | 8% | 0.084 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.4 | -41.1 | 179 | -56.1 | 0 | 0 | 0 | 0 | 112.4 | F198 W253 S254 C260 L261 | F198-S257 WeakPolarHBondContact CD2-OG 3.48Å; W253-S257 WeakPolarHBondContact O-CB 3.21Å; W253-S257 PolarHBondContact O-N 3.44Å; W253-S257 PolarHBondContact O-OG 3.35Å; S254-S257 PolarHBondContact O-N 3.48Å; S257-C260 PolarHBondContact O-N 3Å; S257-L261 WeakPolarHBondContact O-CG 3.16Å; S257-L261 PolarHBondContact O-N 3.31Å |
| 258 | L | 90.4 | Very high | 86.9 | Confident | 112 Ų | 112 | 43.5 Ų | 43.5 | 59% | 0.586 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -64.5 | -41.8 | 176.9 | -72.7 | 172.6 | 0 | 0 | 0 | 111.9 | S254 Y256 L261 W262 | S254-L258 WeakPolarHBondContact O-CB 3.49Å; S254-L258 VanDerWaalsContact O-CG 3.3Å; S254-L258 WeakPolarHBondContact O-CG 3.43Å; S254-L258 PolarHBondContact O-N 3.42Å; Y256-L258 VanDerWaalsContact C-N 3.34Å; Y256-L258 PolarHBondContact O-N 3.07Å; L258-L261 PolarHBondContact O-N 3.03Å; L258-W262 PolarHBondContact O-N 2.91Å |
| 259 | V | 88.2 | Confident | 86.4 | Confident | 4 Ų | 4 | 50.6 Ų | 50.6 | 2% | 0.024 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.7 | -40.8 | 176.5 | 168.4 | 0 | 0 | 0 | 0 | 111 | W179 P255 Y256 W262 A263 I271 M275 A279 | W179-V259 HydrophobicContact CE3-CG1 4.26Å; W179-V259 HydrophobicContact CH2-CG1 3.77Å; W179-V259 HydrophobicContact CZ3-CG1 3.25Å; P255-V259 VanDerWaalsContact O-CG2 3.31Å; P255-V259 WeakPolarHBondContact O-CG2 3Å; P255-V259 PolarHBondContact O-N 3.25Å; P255-V259 VanDerWaalsContact O-N 3.13Å; Y256-V259 PolarHBondContact O-N 2.98Å; V259-W262 PolarHBondContact O-N 3.46Å; V259-A263 WeakPolarHBondContact O-CB 3.46Å; V259-A263 PolarHBondContact O-N 3.36Å; V259-I271 HydrophobicContact CG1-CG2 4.41Å; V259-M275 HydrophobicContact CG2-CB 4.45Å; V259-M275 HydrophobicContact CG2-CE 4.13Å; V259-A279 HydrophobicContact CB-CB 4.25Å; V259-A279 HydrophobicContact CG2-CB 3.72Å |
| 260 | C | 86.8 | Confident | 86.2 | Confident | 16 Ų | 16 | 54 Ų | 54 | 11% | 0.108 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.7 | -39.4 | 173.6 | -69.1 | 0 | 0 | 0 | 0 | 112.8 | T190 I194 Y256 S257 A263 S264 | T190-C260 HydrophobicContact CG2-CB 3.77Å; I194-C260 HydrophobicContact CD1-CB 4.16Å; Y256-C260 PolarHBondContact O-N 2.99Å; Y256-C260 PolarHBondContact O-SG 3.43Å; Y256-C260 VanDerWaalsContact O-SG 3.33Å; S257-C260 PolarHBondContact O-N 3Å; C260-A263 PolarHBondContact O-N 2.97Å; C260-S264 WeakPolarHBondContact O-CB 3.32Å; C260-S264 PolarHBondContact O-N 3.08Å; C260-S264 PolarHBondContact O-OG 3.48Å |
| 261 | L | 88.9 | Confident | 85.8 | Confident | 55 Ų | 55 | 52.1 Ų | 52.1 | 29% | 0.288 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -66.6 | -43.7 | 175 | -72.1 | 170 | 0 | 0 | 0 | 111.9 | M191 I194 S257 L258 A263 S264 F265 | M191-L261 HydrophobicContact SD-CD2 3.84Å; I194-L261 HydrophobicContact CD1-CD1 4.48Å; I194-L261 HydrophobicContact CD1-CD2 3.56Å; I194-L261 HydrophobicContact CD1-CG 3.63Å; S257-L261 WeakPolarHBondContact O-CG 3.16Å; S257-L261 PolarHBondContact O-N 3.31Å; L258-L261 PolarHBondContact O-N 3.03Å; L261-A263 VanDerWaalsContact C-N 3.29Å; L261-A263 PolarHBondContact O-N 3.49Å; L261-S264 PolarHBondContact O-N 2.63Å; L261-S264 VanDerWaalsContact O-N 3.1Å; L261-F265 HydrophobicContact CD2-CD2 4.31Å; L261-F265 HydrophobicContact CD2-CE2 3.88Å; L261-F265 WeakPolarHBondContact O-CD2 3.4Å; L261-F265 PolarHBondContact O-N 2.95Å |
| 262 | W | 88.2 | Confident | 85.5 | Confident | 119 Ų | 119 | 52 Ų | 52 | 45% | 0.451 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -57.9 | -46.2 | 174.5 | -168.8 | -26.8 | 0 | 0 | 0 | 109.8 | L258 V259 S264 G266 T270 I271 | L258-W262 PolarHBondContact O-N 2.91Å; V259-W262 PolarHBondContact O-N 3.46Å; W262-S264 PolarHBondContact O-N 2.74Å; W262-G266 CarbonylContact O-C 3.45Å; W262-G266 VanDerWaalsContact O-CA 3.23Å; W262-G266 WeakPolarHBondContact O-CA 3.39Å; W262-G266 PolarHBondContact O-N 2.72Å; W262-T270 PolarHBondContact NE1-OG1 2.92Å; W262-I271 HydrophobicContact CD2-CG1 4.3Å; W262-I271 HydrophobicContact CG-CD1 4.49Å; W262-I271 HydrophobicContact CG-CG1 4.07Å |
| 263 | A | 84.6 | Confident | 84.8 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64 | -28.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114 | W179 N182 F186 V259 C260 L261 I271 | W179-A263 HydrophobicContact CB-CB 4.08Å; W179-A263 HydrophobicContact CE3-CB 3.73Å; N182-A263 PolarHBondContact ND2-O 3.03Å; F186-A263 HydrophobicContact CE1-CB 4.4Å; F186-A263 HydrophobicContact CZ-CB 4.23Å; V259-A263 WeakPolarHBondContact O-CB 3.46Å; V259-A263 PolarHBondContact O-N 3.36Å; C260-A263 PolarHBondContact O-N 2.97Å; L261-A263 VanDerWaalsContact C-N 3.29Å; L261-A263 PolarHBondContact O-N 3.49Å; A263-I271 HydrophobicContact CB-CD1 3.7Å |
| 264 | S | 84.9 | Confident | 84.3 | Confident | 5 Ų | 5 | 55.8 Ų | 55.8 | 4% | 0.035 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -81.3 | -40.4 | -179.3 | -57.5 | 0 | 0 | 0 | 0 | 112.7 | T190 C260 L261 W262 | T190-S264 WeakPolarHBondContact CG2-OG 2.97Å; C260-S264 WeakPolarHBondContact O-CB 3.32Å; C260-S264 PolarHBondContact O-N 3.08Å; C260-S264 PolarHBondContact O-OG 3.48Å; L261-S264 PolarHBondContact O-N 2.63Å; L261-S264 VanDerWaalsContact O-N 3.1Å; W262-S264 PolarHBondContact O-N 2.74Å |
| 265 | F | 85.4 | Confident | 83.9 | Confident | 147 Ų | 147 | 58 Ų | 58 | 65% | 0.645 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -105.9 | -17.8 | -173.9 | -66.3 | -70.4 | 0 | 0 | 0 | 114.6 | M191 L261 | M191-F265 HydrophobicContact CE-CE2 4Å; M191-F265 HydrophobicContact CE-CZ 3.77Å; M191-F265 HydrophobicContact CG-CZ 4.32Å; M191-F265 HydrophobicContact SD-CE2 3.41Å; M191-F265 WeakPolarHBondContact SD-CE2 2.95Å; M191-F265 HydrophobicContact SD-CZ 3.49Å; M191-F265 WeakPolarHBondContact SD-CZ 3.45Å; L261-F265 HydrophobicContact CD2-CD2 4.31Å; L261-F265 HydrophobicContact CD2-CE2 3.88Å; L261-F265 WeakPolarHBondContact O-CD2 3.4Å; L261-F265 PolarHBondContact O-N 2.95Å |
| 266 | G | 82.1 | Confident | 83.2 | Confident | 30 Ų | 30 | 56.6 Ų | 56.6 | 31% | 0.309 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -109.7 | -175.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | N182 W262 P268 | N182-G266 PolarHBondContact ND2-O 2.92Å; W262-G266 CarbonylContact O-C 3.45Å; W262-G266 VanDerWaalsContact O-CA 3.23Å; W262-G266 WeakPolarHBondContact O-CA 3.39Å; W262-G266 PolarHBondContact O-N 2.72Å; G266-P268 WeakPolarHBondContact O-CD 3.45Å |
| 267 | D | 77.8 | Confident | 82.8 | Confident | 83 Ų | 83 | 55.6 Ų | 55.6 | 44% | 0.444 | 30% | 0.297 | S | S | . | . | trans | -80.9 | 117.8 | 172.3 | -178.2 | -4.8 | 0 | 0 | 0 | 109.6 | K269 T270 | D267-K269 PolarHBondContact O-N 3.49Å; D267-K269 WeakPolarHBondContact OD1-CB 3.21Å; D267-K269 WeakPolarHBondContact OD1-CG 3.3Å; D267-K269 PolarHBondContact OD1-N 3.07Å; D267-T270 HydrophobicContact CB-CG2 4Å; D267-T270 WeakPolarHBondContact O-CB 3.19Å; D267-T270 PolarHBondContact O-N 3Å; D267-T270 PolarHBondContact O-OG1 2.72Å | ||
| 268 | P | 75.4 | Confident | 82.6 | Confident | 32 Ų | 32 | 58.6 Ų | 58.6 | 21% | 0.208 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -54.2 | -25.7 | 177.3 | -25.2 | 33.9 | 0 | 0 | 0 | 113.8 | W179 N182 G266 T270 I271 | W179-P268 WeakPolarHBondContact O-CG 3.46Å; N182-P268 HydrophobicContact CB-CG 4.1Å; G266-P268 WeakPolarHBondContact O-CD 3.45Å; P268-T270 PolarHBondContact O-N 3.44Å; P268-I271 WeakPolarHBondContact O-CB 3.46Å; P268-I271 WeakPolarHBondContact O-CG1 3.4Å; P268-I271 PolarHBondContact O-N 2.9Å |
| 269 | K | 75.6 | Confident | 82.5 | Confident | 185 Ų | 185 | 53.2 Ų | 53.2 | 80% | 0.804 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | -69.7 | -19.1 | 178.3 | -60.9 | 176 | -176.3 | 175.4 | 0 | 113.4 | D267 I271 | D267-K269 PolarHBondContact O-N 3.49Å; D267-K269 WeakPolarHBondContact OD1-CB 3.21Å; D267-K269 WeakPolarHBondContact OD1-CG 3.3Å; D267-K269 PolarHBondContact OD1-N 3.07Å; K269-I271 VanDerWaalsContact C-N 3.31Å |
| 270 | T | 81.8 | Confident | 82.4 | Confident | 78 Ų | 78 | 54.1 Ų | 54.1 | 48% | 0.479 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -83.6 | -9.4 | 178.1 | 63.2 | 0 | 0 | 0 | 0 | 113.1 | W262 D267 P268 P272 | W262-T270 PolarHBondContact NE1-OG1 2.92Å; D267-T270 HydrophobicContact CB-CG2 4Å; D267-T270 WeakPolarHBondContact O-CB 3.19Å; D267-T270 PolarHBondContact O-N 3Å; D267-T270 PolarHBondContact O-OG1 2.72Å; P268-T270 PolarHBondContact O-N 3.44Å; T270-P272 VanDerWaalsContact O-CD 3.31Å; T270-P272 WeakPolarHBondContact O-CD 3.36Å |
| 271 | I | 81.2 | Confident | 82.5 | Confident | 21 Ų | 21 | 54.8 Ų | 54.8 | 11% | 0.108 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -71.5 | 120.5 | -179.8 | -60.2 | 175.7 | 0 | 0 | 0 | 108.7 | W179 V259 W262 A263 P268 K269 A273 | W179-I271 HydrophobicContact CE3-CD1 3.93Å; W179-I271 HydrophobicContact CZ3-CD1 3.7Å; W179-I271 HydrophobicContact CZ3-CG2 4.29Å; V259-I271 HydrophobicContact CG1-CG2 4.41Å; W262-I271 HydrophobicContact CD2-CG1 4.3Å; W262-I271 HydrophobicContact CG-CD1 4.49Å; W262-I271 HydrophobicContact CG-CG1 4.07Å; A263-I271 HydrophobicContact CB-CD1 3.7Å; P268-I271 WeakPolarHBondContact O-CB 3.46Å; P268-I271 WeakPolarHBondContact O-CG1 3.4Å; P268-I271 PolarHBondContact O-N 2.9Å; K269-I271 VanDerWaalsContact C-N 3.31Å; I271-A273 PolarHBondContact O-N 3.02Å |
| 272 | P | 82.2 | Confident | 82.5 | Confident | 58 Ų | 58 | 55.9 Ų | 55.9 | 38% | 0.377 | 29% | 0.294 | S | S | . | . | trans | -61.4 | 134.9 | 178.8 | -23 | 33.8 | 0 | 0 | 0 | 111.3 | T270 P274 M275 A276 | T270-P272 VanDerWaalsContact O-CD 3.31Å; T270-P272 WeakPolarHBondContact O-CD 3.36Å; P272-P274 VanDerWaalsContact C-CD 3.47Å; P272-P274 VanDerWaalsContact C-N 3.31Å; P272-M275 HydrophobicContact CB-CB 4.47Å; P272-M275 HydrophobicContact CB-CG 4.28Å; P272-M275 HydrophobicContact CG-CG 4.37Å; P272-M275 WeakPolarHBondContact O-CB 3.11Å; P272-M275 PolarHBondContact O-N 2.75Å; P272-A276 PolarHBondContact O-N 3.41Å | ||
| 273 | A | 75.9 | Confident | 82.5 | Confident | 38 Ų | 38 | 50.8 Ų | 50.8 | 31% | 0.314 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -47 | -44.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | F20 I271 M275 A276 I277 | F20-A273 HydrophobicContact CE1-CB 3.72Å; F20-A273 HydrophobicContact CE2-CB 4.37Å; F20-A273 HydrophobicContact CZ-CB 3.47Å; F20-A273 VanDerWaalsContact CZ-CB 3.47Å; F20-A273 WeakPolarHBondContact CZ-O 3.34Å; I271-A273 PolarHBondContact O-N 3.02Å; A273-M275 VanDerWaalsContact C-N 3.33Å; A273-M275 PolarHBondContact O-N 2.9Å; A273-A276 WeakPolarHBondContact O-CB 3.23Å; A273-A276 PolarHBondContact O-N 3.15Å; A273-I277 PolarHBondContact O-N 3.19Å |
| 274 | P | 78.8 | Confident | 82.6 | Confident | 71 Ų | 71 | 51.9 Ų | 51.9 | 46% | 0.461 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.5 | -36.1 | 175.9 | -25.3 | 35.3 | 0 | 0 | 0 | 114 | P272 A276 I277 I278 | P272-P274 VanDerWaalsContact C-CD 3.47Å; P272-P274 VanDerWaalsContact C-N 3.31Å; P274-A276 VanDerWaalsContact C-N 3.32Å; P274-A276 PolarHBondContact O-N 3.23Å; P274-I277 PolarHBondContact O-N 3.23Å; P274-I278 HydrophobicContact CB-CD1 4.26Å; P274-I278 WeakPolarHBondContact O-CB 3.34Å; P274-I278 WeakPolarHBondContact O-CD1 3.36Å; P274-I278 WeakPolarHBondContact O-CG1 3.37Å; P274-I278 PolarHBondContact O-N 3.49Å |
| 275 | M | 81.5 | Confident | 82.8 | Confident | 74 Ų | 74 | 51.7 Ų | 51.7 | 37% | 0.365 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -69 | -33.8 | 179.1 | -72.5 | -60.7 | -63.8 | 0 | 0 | 111.8 | V259 P272 A273 I277 A279 | V259-M275 HydrophobicContact CG2-CB 4.45Å; V259-M275 HydrophobicContact CG2-CE 4.13Å; P272-M275 HydrophobicContact CB-CB 4.47Å; P272-M275 HydrophobicContact CB-CG 4.28Å; P272-M275 HydrophobicContact CG-CG 4.37Å; P272-M275 WeakPolarHBondContact O-CB 3.11Å; P272-M275 PolarHBondContact O-N 2.75Å; A273-M275 VanDerWaalsContact C-N 3.33Å; A273-M275 PolarHBondContact O-N 2.9Å; M275-I277 PolarHBondContact O-N 3.12Å; M275-A279 VanDerWaalsContact O-CB 3.27Å; M275-A279 WeakPolarHBondContact O-CB 3.23Å; M275-A279 PolarHBondContact O-N 3.34Å; M275-A279 VanDerWaalsContact O-N 3.14Å |
| 276 | A | 77.8 | Confident | 82.9 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.008 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.7 | -23.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | P170 W179 P272 A273 P274 P280 | P170-A276 HydrophobicContact CB-CB 4.34Å; P170-A276 HydrophobicContact CG-CB 3.98Å; W179-A276 HydrophobicContact CH2-CB 3.62Å; W179-A276 HydrophobicContact CZ2-CB 4Å; P272-A276 PolarHBondContact O-N 3.41Å; A273-A276 WeakPolarHBondContact O-CB 3.23Å; A273-A276 PolarHBondContact O-N 3.15Å; P274-A276 VanDerWaalsContact C-N 3.32Å; P274-A276 PolarHBondContact O-N 3.23Å; A276-P280 WeakPolarHBondContact O-CD 3.15Å; A276-P280 VanDerWaalsContact O-CG 3.25Å; A276-P280 WeakPolarHBondContact O-CG 3.29Å |
| 277 | I | 80.8 | Confident | 83.1 | Confident | 27 Ų | 27 | 43.8 Ų | 43.8 | 14% | 0.138 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -87.8 | -55.8 | 172.7 | -67.5 | 164 | 0 | 0 | 0 | 111.2 | F20 V28 T171 A273 P274 M275 A279 P280 L281 | F20-I277 HydrophobicContact CD1-CD1 3.72Å; F20-I277 HydrophobicContact CE1-CD1 3.16Å; F20-I277 HydrophobicContact CE1-CG1 4.2Å; F20-I277 HydrophobicContact CE2-CD1 4.15Å; F20-I277 HydrophobicContact CG-CD1 4.39Å; F20-I277 HydrophobicContact CZ-CD1 3.38Å; F20-I277 HydrophobicContact CZ-CG1 3.94Å; V28-I277 HydrophobicContact CG2-CG2 4.06Å; T171-I277 HydrophobicContact CG2-CB 4.47Å; T171-I277 HydrophobicContact CG2-CD1 3.84Å; T171-I277 HydrophobicContact CG2-CG1 3.18Å; A273-I277 PolarHBondContact O-N 3.19Å; P274-I277 PolarHBondContact O-N 3.23Å; M275-I277 PolarHBondContact O-N 3.12Å; I277-A279 VanDerWaalsContact C-N 3.29Å; I277-A279 PolarHBondContact O-N 3.44Å; I277-P280 VanDerWaalsContact O-CD 3.26Å; I277-P280 WeakPolarHBondContact O-CD 3.45Å; I277-L281 HydrophobicContact CG2-CD1 3.54Å; I277-L281 HydrophobicContact CG2-CG 4.09Å; I277-L281 WeakPolarHBondContact O-CG 3.35Å; I277-L281 PolarHBondContact O-N 3.22Å; I277-L281 VanDerWaalsContact O-N 3.15Å |
| 278 | I | 85.9 | Confident | 83 | Confident | 74 Ų | 74 | 41.1 Ų | 41.1 | 38% | 0.379 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -62.2 | -42.4 | -166.7 | -70.4 | 167.6 | 0 | 0 | 0 | 109.6 | P274 L281 F282 | P274-I278 HydrophobicContact CB-CD1 4.26Å; P274-I278 WeakPolarHBondContact O-CB 3.34Å; P274-I278 WeakPolarHBondContact O-CD1 3.36Å; P274-I278 WeakPolarHBondContact O-CG1 3.37Å; P274-I278 PolarHBondContact O-N 3.49Å; I278-L281 PolarHBondContact O-N 3.39Å; I278-L281 VanDerWaalsContact O-N 3.12Å; I278-F282 HydrophobicContact CG2-CD2 3.53Å; I278-F282 HydrophobicContact CG2-CE2 3.51Å; I278-F282 WeakPolarHBondContact O-CD2 3.31Å; I278-F282 PolarHBondContact O-N 3.49Å |
| 279 | A | 88.1 | Confident | 83.1 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.8 | -49.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | P255 V259 M275 I277 L281 F282 A283 | P255-A279 HydrophobicContact CB-CB 3.99Å; V259-A279 HydrophobicContact CB-CB 4.25Å; V259-A279 HydrophobicContact CG2-CB 3.72Å; M275-A279 VanDerWaalsContact O-CB 3.27Å; M275-A279 WeakPolarHBondContact O-CB 3.23Å; M275-A279 PolarHBondContact O-N 3.34Å; M275-A279 VanDerWaalsContact O-N 3.14Å; I277-A279 VanDerWaalsContact C-N 3.29Å; I277-A279 PolarHBondContact O-N 3.44Å; A279-L281 VanDerWaalsContact C-N 3.31Å; A279-L281 PolarHBondContact O-N 2.92Å; A279-F282 PolarHBondContact O-N 2.8Å; A279-A283 PolarHBondContact O-N 3.16Å; A279-A283 VanDerWaalsContact O-N 3.16Å |
| 280 | P | 86.2 | Confident | 83.3 | Confident | 22 Ų | 22 | 34.5 Ų | 34.5 | 14% | 0.143 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59 | -36.4 | 169.9 | -27.7 | 33.4 | 0 | 0 | 0 | 114.4 | Y256 A276 I277 A283 K284 | Y256-P280 HydrophobicContact CD2-CB 4.49Å; Y256-P280 HydrophobicContact CD2-CG 4.01Å; Y256-P280 HydrophobicContact CE2-CG 4.07Å; A276-P280 WeakPolarHBondContact O-CD 3.15Å; A276-P280 VanDerWaalsContact O-CG 3.25Å; A276-P280 WeakPolarHBondContact O-CG 3.29Å; I277-P280 VanDerWaalsContact O-CD 3.26Å; I277-P280 WeakPolarHBondContact O-CD 3.45Å; P280-A283 PolarHBondContact O-N 3.04Å; P280-K284 WeakPolarHBondContact O-CB 3.5Å; P280-K284 VanDerWaalsContact O-CG 3.31Å; P280-K284 WeakPolarHBondContact O-CG 3.5Å; P280-K284 PolarHBondContact O-N 2.89Å |
| 281 | L | 88.6 | Confident | 82.9 | Confident | 30 Ų | 30 | 31.1 Ų | 31.1 | 16% | 0.157 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.3 | -38.2 | 178.5 | -67.8 | -178.7 | 0 | 0 | 0 | 112 | V28 Y31 L32 I277 I278 A279 K284 S285 | V28-L281 HydrophobicContact CG1-CD1 4.45Å; V28-L281 HydrophobicContact CG1-CD2 4.36Å; Y31-L281 HydrophobicContact CD1-CD1 4.29Å; Y31-L281 HydrophobicContact CD1-CD2 3.98Å; Y31-L281 HydrophobicContact CE1-CB 4.26Å; Y31-L281 HydrophobicContact CE1-CD1 4.44Å; Y31-L281 HydrophobicContact CE1-CD2 3.89Å; Y31-L281 HydrophobicContact CE1-CG 4.42Å; L32-L281 HydrophobicContact CD2-CD2 3.89Å; L32-L281 HydrophobicContact CG-CD2 4.39Å; I277-L281 HydrophobicContact CG2-CD1 3.54Å; I277-L281 HydrophobicContact CG2-CG 4.09Å; I277-L281 WeakPolarHBondContact O-CG 3.35Å; I277-L281 PolarHBondContact O-N 3.22Å; I277-L281 VanDerWaalsContact O-N 3.15Å; I278-L281 PolarHBondContact O-N 3.39Å; I278-L281 VanDerWaalsContact O-N 3.12Å; A279-L281 VanDerWaalsContact C-N 3.31Å; A279-L281 PolarHBondContact O-N 2.92Å; L281-K284 PolarHBondContact O-N 3.21Å; L281-S285 WeakPolarHBondContact O-CB 3.29Å; L281-S285 PolarHBondContact O-N 3.41Å |
| 282 | F | 89.8 | Confident | 82.3 | Confident | 79 Ų | 79 | 33.3 Ų | 33.3 | 35% | 0.346 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -64.5 | -39.7 | 172.4 | -91.9 | -92.2 | 0 | 0 | 0 | 112.2 | V251 A252 P255 I278 A279 K284 S285 | V251-F282 HydrophobicContact CG1-CD1 3.88Å; V251-F282 HydrophobicContact CG1-CE1 3.83Å; V251-F282 WeakPolarHBondContact O-CD1 3.21Å; A252-F282 WeakPolarHBondContact CA-O 3.36Å; A252-F282 CarbonylContact O-C 3.57Å; A252-F282 VanDerWaalsContact O-C 3.27Å; P255-F282 HydrophobicContact CB-CB 4.43Å; P255-F282 HydrophobicContact CG-CB 4.16Å; P255-F282 HydrophobicContact CG-CD1 4.5Å; P255-F282 HydrophobicContact CG-CG 4.26Å; I278-F282 HydrophobicContact CG2-CD2 3.53Å; I278-F282 HydrophobicContact CG2-CE2 3.51Å; I278-F282 WeakPolarHBondContact O-CD2 3.31Å; I278-F282 PolarHBondContact O-N 3.49Å; A279-F282 PolarHBondContact O-N 2.8Å; F282-K284 VanDerWaalsContact C-N 3.34Å; F282-S285 PolarHBondContact O-N 3.2Å; F282-S285 PolarHBondContact O-OG 3.45Å |
| 283 | A | 88 | Confident | 81.5 | Confident | 11 Ų | 11 | 31 Ų | 31 | 9% | 0.091 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.5 | -44.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | A252 W253 Y256 A279 P280 S285 S286 | A252-A283 WeakPolarHBondContact O-CA 3.4Å; A252-A283 PolarHBondContact O-N 3.47Å; A252-A283 VanDerWaalsContact O-N 3.12Å; W253-A283 HydrophobicContact CE3-CB 4.1Å; W253-A283 HydrophobicContact CZ3-CB 4.11Å; Y256-A283 HydrophobicContact CG-CB 4.48Å; A279-A283 PolarHBondContact O-N 3.16Å; A279-A283 VanDerWaalsContact O-N 3.16Å; P280-A283 PolarHBondContact O-N 3.04Å; A283-S285 VanDerWaalsContact C-N 3.33Å; A283-S285 PolarHBondContact O-N 3.3Å; A283-S286 WeakPolarHBondContact O-CB 3.5Å; A283-S286 PolarHBondContact O-N 3.06Å; A283-S286 PolarHBondContact O-OG 3.11Å |
| 284 | K | 87.7 | Confident | 81 | Confident | 23 Ų | 23 | 29.8 Ų | 29.8 | 10% | 0.1 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.1 | -41.8 | 174.6 | -77.2 | 174.8 | -170.9 | -66.9 | 0 | 111.5 | L32 Y79 Y101 N105 P280 L281 F282 S286 T287 | L32-K284 HydrophobicContact CD2-CD 4.27Å; Y79-K284 HydrophobicContact CD1-CD 4.32Å; Y79-K284 HydrophobicContact CE1-CB 3.69Å; Y79-K284 HydrophobicContact CE1-CD 3.91Å; Y79-K284 HydrophobicContact CE1-CG 3.84Å; Y79-K284 PolarHBondContact OH-O 3.25Å; Y101-K284 PolarHBondContact OH-NZ 2.98Å; N105-K284 PolarHBondContact OD1-NZ 3.1Å; P280-K284 WeakPolarHBondContact O-CB 3.5Å; P280-K284 VanDerWaalsContact O-CG 3.31Å; P280-K284 WeakPolarHBondContact O-CG 3.5Å; P280-K284 PolarHBondContact O-N 2.89Å; L281-K284 PolarHBondContact O-N 3.21Å; F282-K284 VanDerWaalsContact C-N 3.34Å; K284-S286 PolarHBondContact O-N 3.1Å; K284-T287 WeakPolarHBondContact O-CG2 3.4Å; K284-T287 PolarHBondContact O-N 2.96Å; K284-T287 VanDerWaalsContact O-N 3.12Å; K284-T287 PolarHBondContact O-OG1 2.93Å |
| 285 | S | 87.5 | Confident | 80.3 | Confident | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.007 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.3 | -12.9 | -176.6 | 75.4 | 0 | 0 | 0 | 0 | 115.3 | Y31 L281 F282 A283 T287 F288 Y289 | Y31-S285 WeakPolarHBondContact OH-CB 3.33Å; L281-S285 WeakPolarHBondContact O-CB 3.29Å; L281-S285 PolarHBondContact O-N 3.41Å; F282-S285 PolarHBondContact O-N 3.2Å; F282-S285 PolarHBondContact O-OG 3.45Å; A283-S285 VanDerWaalsContact C-N 3.33Å; A283-S285 PolarHBondContact O-N 3.3Å; S285-T287 PolarHBondContact O-N 2.66Å; S285-T287 VanDerWaalsContact O-N 3.13Å; S285-F288 VanDerWaalsContact CA-CD2 3.48Å; S285-F288 WeakPolarHBondContact O-CB 3.12Å; S285-F288 WeakPolarHBondContact O-CD2 3.28Å; S285-F288 PolarHBondContact O-N 3.26Å; S285-Y289 WeakPolarHBondContact O-CD2 3.35Å; S285-Y289 WeakPolarHBondContact O-CE2 3.47Å; S285-Y289 WeakPolarHBondContact OG-CE2 3.43Å; S285-Y289 PolarHBondContact OG-OH 2.92Å |
| 286 | S | 88.6 | Confident | 79.1 | Confident | 8 Ų | 8 | 28.9 Ų | 28.9 | 6% | 0.056 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -50.8 | -32.3 | 168.5 | 62.3 | 0 | 0 | 0 | 0 | 114 | A283 K284 F288 Y289 N290 | A283-S286 WeakPolarHBondContact O-CB 3.5Å; A283-S286 PolarHBondContact O-N 3.06Å; A283-S286 PolarHBondContact O-OG 3.11Å; K284-S286 PolarHBondContact O-N 3.1Å; S286-F288 PolarHBondContact O-N 2.84Å; S286-F288 VanDerWaalsContact O-N 3.12Å; S286-Y289 PolarHBondContact O-N 3.14Å; S286-Y289 VanDerWaalsContact O-N 3.09Å; S286-N290 WeakPolarHBondContact O-CB 3.35Å; S286-N290 PolarHBondContact O-N 3.48Å; S286-N290 PolarHBondContact O-ND2 3.42Å; S286-N290 PolarHBondContact O-OD1 3.33Å |
| 287 | T | 86.6 | Confident | 78.1 | Confident | 3 Ų | 3 | 30.8 Ų | 30.8 | 2% | 0.018 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -67.5 | -12.1 | -179.7 | 73.2 | 0 | 0 | 0 | 0 | 114.1 | S39 N43 D71 V74 Y79 K284 S285 P291 | S39-T287 WeakPolarHBondContact CB-OG1 3.49Å; S39-T287 WeakPolarHBondContact OG-CB 3.21Å; S39-T287 PolarHBondContact OG-O 3.02Å; S39-T287 VanDerWaalsContact OG-O 3.12Å; S39-T287 PolarHBondContact OG-OG1 3.33Å; N43-T287 PolarHBondContact ND2-O 2.84Å; D71-T287 HydrophobicContact CB-CG2 4.17Å; V74-T287 HydrophobicContact CB-CG2 4.01Å; V74-T287 HydrophobicContact CG1-CG2 4.06Å; V74-T287 HydrophobicContact CG2-CG2 4.49Å; Y79-T287 PolarHBondContact OH-OG1 2.88Å; K284-T287 WeakPolarHBondContact O-CG2 3.4Å; K284-T287 PolarHBondContact O-N 2.96Å; K284-T287 VanDerWaalsContact O-N 3.12Å; K284-T287 PolarHBondContact O-OG1 2.93Å; S285-T287 PolarHBondContact O-N 2.66Å; S285-T287 VanDerWaalsContact O-N 3.13Å; T287-P291 WeakPolarHBondContact O-CD 3.38Å |
| 288 | F | 76.3 | Confident | 77.3 | Confident | 27 Ų | 27 | 31.5 Ų | 31.5 | 12% | 0.118 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -92.8 | -37 | 171.5 | -50.9 | -58.7 | 0 | 0 | 0 | 112.3 | A35 I38 Y79 S285 S286 | A35-F288 VanDerWaalsContact CA-CZ 3.43Å; A35-F288 HydrophobicContact CB-CE1 4Å; A35-F288 HydrophobicContact CB-CE2 3.68Å; A35-F288 HydrophobicContact CB-CZ 3.23Å; A35-F288 WeakPolarHBondContact O-CE1 3.42Å; A35-F288 WeakPolarHBondContact O-CZ 3.43Å; I38-F288 HydrophobicContact CB-CD1 4.27Å; I38-F288 HydrophobicContact CB-CE1 4.39Å; I38-F288 HydrophobicContact CG2-CD1 4.06Å; Y79-F288 HydrophobicContact CE2-CE1 4.32Å; Y79-F288 HydrophobicContact CE2-CE2 4.46Å; Y79-F288 AromaticContact CE2-CZ 3.58Å; Y79-F288 HydrophobicContact CE2-CZ 3.58Å; Y79-F288 AromaticContact CZ-CZ 3.94Å; S285-F288 VanDerWaalsContact CA-CD2 3.48Å; S285-F288 WeakPolarHBondContact O-CB 3.12Å; S285-F288 WeakPolarHBondContact O-CD2 3.28Å; S285-F288 PolarHBondContact O-N 3.26Å; S286-F288 PolarHBondContact O-N 2.84Å; S286-F288 VanDerWaalsContact O-N 3.12Å |
| 289 | Y | 76.6 | Confident | 76.3 | Confident | 75 Ų | 75 | 29.8 Ų | 29.8 | 29% | 0.294 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -71.2 | -42.7 | -175.5 | -53.8 | -35.3 | 0 | 0 | 0 | 109.8 | S285 S286 C292 I293 | S285-Y289 WeakPolarHBondContact O-CD2 3.35Å; S285-Y289 WeakPolarHBondContact O-CE2 3.47Å; S285-Y289 WeakPolarHBondContact OG-CE2 3.43Å; S285-Y289 PolarHBondContact OG-OH 2.92Å; S286-Y289 PolarHBondContact O-N 3.14Å; S286-Y289 VanDerWaalsContact O-N 3.09Å; Y289-C292 CarbonylContact O-C 3.44Å; Y289-C292 WeakPolarHBondContact O-CA 3.32Å; Y289-C292 VanDerWaalsContact O-CB 3.26Å; Y289-C292 WeakPolarHBondContact O-CB 3.21Å; Y289-C292 PolarHBondContact O-N 3.02Å; Y289-I293 WeakPolarHBondContact O-CG1 3.45Å; Y289-I293 PolarHBondContact O-N 3.13Å |
| 290 | N | 78.9 | Confident | 75.2 | Confident | 4 Ų | 4 | 34.8 Ų | 34.8 | 2% | 0.021 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -45.3 | -60.3 | -179.7 | -76.2 | -7.8 | 0 | 0 | 0 | 113.2 | L67 D71 S112 S286 C292 I293 Y294 | L67-N290 HydrophobicContact CD2-CB 3.79Å; D71-N290 PolarHBondContact OD1-ND2 2.9Å; D71-N290 VanDerWaalsContact OD1-ND2 3.07Å; D71-N290 WeakPolarHBondContact OD2-CB 3.3Å; D71-N290 PolarHBondContact OD2-ND2 3.48Å; S112-N290 PolarHBondContact OG-ND2 3.19Å; S286-N290 WeakPolarHBondContact O-CB 3.35Å; S286-N290 PolarHBondContact O-N 3.48Å; S286-N290 PolarHBondContact O-ND2 3.42Å; S286-N290 PolarHBondContact O-OD1 3.33Å; N290-C292 VanDerWaalsContact C-N 3.33Å; N290-C292 PolarHBondContact O-N 3.45Å; N290-I293 WeakPolarHBondContact O-CA 3.43Å; N290-I293 VanDerWaalsContact O-CB 3.23Å; N290-I293 WeakPolarHBondContact O-CB 2.87Å; N290-I293 WeakPolarHBondContact O-CG1 3.45Å; N290-I293 PolarHBondContact O-N 2.92Å; N290-Y294 HydrophobicContact CB-CE2 4.15Å; N290-Y294 WeakPolarHBondContact O-CD2 3.42Å; N290-Y294 WeakPolarHBondContact O-CE2 3.23Å; N290-Y294 PolarHBondContact O-N 3.23Å |
| 291 | P | 74.7 | Confident | 74.3 | Confident | 6 Ų | 6 | 33.8 Ų | 33.8 | 4% | 0.039 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -53.9 | -43.2 | 174.3 | -29.5 | 35.3 | 0 | 0 | 0 | 114.6 | N43 V46 T287 I293 Y294 V295 | N43-P291 WeakPolarHBondContact ND2-CG 3.12Å; N43-P291 WeakPolarHBondContact OD1-CG 3.39Å; V46-P291 HydrophobicContact CG2-CB 4.34Å; T287-P291 WeakPolarHBondContact O-CD 3.38Å; P291-I293 VanDerWaalsContact C-N 3.26Å; P291-I293 PolarHBondContact O-N 3.3Å; P291-Y294 PolarHBondContact O-N 3.49Å; P291-V295 WeakPolarHBondContact O-CB 3.24Å; P291-V295 VanDerWaalsContact O-CG2 3.29Å; P291-V295 WeakPolarHBondContact O-CG2 3.19Å; P291-V295 PolarHBondContact O-N 3.23Å |
| 292 | C | 67.3 | Low | 73.5 | Confident | 68 Ų | 68 | 37.4 Ų | 37.4 | 46% | 0.459 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -60.8 | -38.8 | 177.5 | -66.6 | 0 | 0 | 0 | 0 | 110.9 | Y289 N290 Y294 I296 | Y289-C292 CarbonylContact O-C 3.44Å; Y289-C292 WeakPolarHBondContact O-CA 3.32Å; Y289-C292 VanDerWaalsContact O-CB 3.26Å; Y289-C292 WeakPolarHBondContact O-CB 3.21Å; Y289-C292 PolarHBondContact O-N 3.02Å; N290-C292 VanDerWaalsContact C-N 3.33Å; N290-C292 PolarHBondContact O-N 3.45Å; C292-Y294 PolarHBondContact O-N 2.86Å; C292-I296 HydrophobicContact CB-CD1 4.24Å; C292-I296 VanDerWaalsContact O-CB 3.24Å; C292-I296 WeakPolarHBondContact O-CB 3.23Å; C292-I296 WeakPolarHBondContact O-CD1 3.49Å; C292-I296 WeakPolarHBondContact O-CG1 3.31Å; C292-I296 PolarHBondContact O-N 3.26Å |
| 293 | I | 66.1 | Low | 72.6 | Confident | 8 Ų | 8 | 39.7 Ų | 39.7 | 4% | 0.041 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -56.4 | -53.3 | 174.5 | -42.5 | -164.5 | 0 | 0 | 0 | 110.3 | M245 M248 Y289 N290 P291 I296 A297 | M245-I293 HydrophobicContact CE-CG2 3.88Å; M245-I293 HydrophobicContact CG-CD1 4.34Å; M245-I293 HydrophobicContact CG-CG2 3.2Å; M245-I293 HydrophobicContact SD-CG2 3.57Å; M245-I293 VanDerWaalsContact SD-CG2 3.57Å; M248-I293 HydrophobicContact CE-CB 4.14Å; M248-I293 HydrophobicContact CE-CD1 3.32Å; M248-I293 HydrophobicContact CE-CG1 3.26Å; M248-I293 HydrophobicContact CE-CG2 4.17Å; M248-I293 HydrophobicContact SD-CD1 4.21Å; M248-I293 HydrophobicContact SD-CG1 4Å; Y289-I293 WeakPolarHBondContact O-CG1 3.45Å; Y289-I293 PolarHBondContact O-N 3.13Å; N290-I293 WeakPolarHBondContact O-CA 3.43Å; N290-I293 VanDerWaalsContact O-CB 3.23Å; N290-I293 WeakPolarHBondContact O-CB 2.87Å; N290-I293 WeakPolarHBondContact O-CG1 3.45Å; N290-I293 PolarHBondContact O-N 2.92Å; P291-I293 VanDerWaalsContact C-N 3.26Å; P291-I293 PolarHBondContact O-N 3.3Å; I293-I296 PolarHBondContact O-N 2.81Å; I293-A297 WeakPolarHBondContact O-CA 2.91Å; I293-A297 WeakPolarHBondContact O-CB 3.3Å; I293-A297 PolarHBondContact O-N 2.92Å |
| 294 | Y | 65.3 | Low | 71.6 | Confident | 14 Ų | 14 | 39.4 Ų | 39.4 | 6% | 0.055 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -70.3 | -38.8 | -173.1 | -56.3 | -61.7 | 0 | 0 | 0 | 113 | I64 L67 L116 V119 N290 P291 C292 N298 | I64-Y294 HydrophobicContact CD1-CD1 3.75Å; I64-Y294 HydrophobicContact CD1-CE1 4.48Å; I64-Y294 HydrophobicContact CD1-CG 4.22Å; I64-Y294 HydrophobicContact CG1-CD1 3.76Å; I64-Y294 HydrophobicContact CG1-CE1 4.05Å; I64-Y294 HydrophobicContact CG1-CG 4.27Å; I64-Y294 HydrophobicContact CG2-CD1 4.13Å; I64-Y294 HydrophobicContact CG2-CD2 3.9Å; I64-Y294 HydrophobicContact CG2-CE2 4.49Å; I64-Y294 HydrophobicContact CG2-CG 3.76Å; L67-Y294 HydrophobicContact CD2-CD2 4.43Å; L67-Y294 HydrophobicContact CD2-CE2 3.2Å; L67-Y294 WeakPolarHBondContact CD2-OH 3.27Å; L116-Y294 WeakPolarHBondContact CD2-OH 3.46Å; V119-Y294 HydrophobicContact CG2-CE1 4.37Å; N290-Y294 HydrophobicContact CB-CE2 4.15Å; N290-Y294 WeakPolarHBondContact O-CD2 3.42Å; N290-Y294 WeakPolarHBondContact O-CE2 3.23Å; N290-Y294 PolarHBondContact O-N 3.23Å; P291-Y294 PolarHBondContact O-N 3.49Å; C292-Y294 PolarHBondContact O-N 2.86Å; Y294-N298 WeakPolarHBondContact O-CB 3.39Å; Y294-N298 PolarHBondContact O-N 2.85Å; Y294-N298 VanDerWaalsContact O-N 3.1Å |
| 295 | V | 63.5 | Low | 70.9 | Confident | 36 Ų | 36 | 39.8 Ų | 39.8 | 22% | 0.218 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.6 | -42.1 | 178.8 | 171 | 0 | 0 | 0 | 0 | 111.2 | P291 I305 | P291-V295 WeakPolarHBondContact O-CB 3.24Å; P291-V295 VanDerWaalsContact O-CG2 3.29Å; P291-V295 WeakPolarHBondContact O-CG2 3.19Å; P291-V295 PolarHBondContact O-N 3.23Å; V295-I305 HydrophobicContact CB-CD1 4.04Å; V295-I305 HydrophobicContact CG1-CD1 3.56Å; V295-I305 HydrophobicContact CG2-CD1 3.28Å |
| 296 | I | 57.8 | Low | 70.3 | Confident | 90 Ų | 90 | 43.4 Ų | 43.4 | 46% | 0.462 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -78.6 | -35.7 | 179.8 | -55.3 | 168.1 | 0 | 0 | 0 | 110 | M241 C292 I293 N298 | M241-I296 HydrophobicContact CE-CB 4.36Å; M241-I296 HydrophobicContact CE-CG2 3.31Å; M241-I296 VanDerWaalsContact SD-C 3.51Å; M241-I296 HydrophobicContact SD-CB 3.86Å; M241-I296 HydrophobicContact SD-CG2 3.42Å; M241-I296 WeakPolarHBondContact SD-CG2 3.43Å; C292-I296 HydrophobicContact CB-CD1 4.24Å; C292-I296 VanDerWaalsContact O-CB 3.24Å; C292-I296 WeakPolarHBondContact O-CB 3.23Å; C292-I296 WeakPolarHBondContact O-CD1 3.49Å; C292-I296 WeakPolarHBondContact O-CG1 3.31Å; C292-I296 PolarHBondContact O-N 3.26Å; I293-I296 PolarHBondContact O-N 2.81Å; I296-N298 PolarHBondContact O-N 3.18Å |
| 297 | A | 55.3 | Low | 69.3 | Low | 40 Ų | 40 | 43.1 Ų | 43.1 | 33% | 0.331 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -74.8 | -21.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | M241 I293 | M241-A297 HydrophobicContact CB-CB 3.95Å; M241-A297 HydrophobicContact CG-CB 3.94Å; M241-A297 VanDerWaalsContact SD-CA 3.57Å; M241-A297 HydrophobicContact SD-CB 3.99Å; I293-A297 WeakPolarHBondContact O-CA 2.91Å; I293-A297 WeakPolarHBondContact O-CB 3.3Å; I293-A297 PolarHBondContact O-N 2.92Å |
| 298 | N | 63.9 | Low | 68.5 | Low | 43 Ų | 43 | 44.7 Ų | 44.7 | 23% | 0.23 | 22% | 0.217 | C | C | . | . | trans | -124.5 | 106.9 | -176.9 | -163.6 | -32.5 | 0 | 0 | 0 | 112.1 | Y294 I296 K300 F301 R302 | Y294-N298 WeakPolarHBondContact O-CB 3.39Å; Y294-N298 PolarHBondContact O-N 2.85Å; Y294-N298 VanDerWaalsContact O-N 3.1Å; I296-N298 PolarHBondContact O-N 3.18Å; N298-K300 PolarHBondContact O-N 3.46Å; N298-K300 VanDerWaalsContact O-N 3.08Å; N298-K300 WeakPolarHBondContact OD1-CB 3.49Å; N298-K300 PolarHBondContact OD1-N 3.14Å; N298-F301 HydrophobicContact CB-CB 4.21Å; N298-F301 HydrophobicContact CB-CD2 3.42Å; N298-F301 VanDerWaalsContact CB-CD2 3.42Å; N298-F301 HydrophobicContact CB-CE2 4.11Å; N298-F301 HydrophobicContact CB-CG 4.15Å; N298-F301 WeakPolarHBondContact ND2-CD2 3.26Å; N298-F301 WeakPolarHBondContact ND2-CE2 3.48Å; N298-F301 WeakPolarHBondContact O-CA 3.33Å; N298-F301 WeakPolarHBondContact O-CB 3.45Å; N298-F301 PolarHBondContact O-N 3.06Å; N298-R302 PolarHBondContact O-N 3.18Å; N298-R302 VanDerWaalsContact O-N 3.08Å | ||
| 299 | K | 65.3 | Low | 68.5 | Low | 37 Ų | 37 | 49.7 Ų | 49.7 | 16% | 0.161 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -56.3 | -27.9 | 177.6 | -63.3 | -165.4 | -171.9 | 170.4 | 0 | 113.2 | D231 S233 D234 D237 R303 | D231-K299 IonicContact OD2-NZ 2.61Å; D231-K299 PolarHBondContact OD2-NZ 3.34Å; S233-K299 PolarHBondContact OG-NZ 3.49Å; D234-K299 WeakPolarHBondContact OD1-CD 3.39Å; D234-K299 WeakPolarHBondContact OD1-CE 3.38Å; D234-K299 IonicContact OD1-NZ 3.52Å; D234-K299 PolarHBondContact OD1-NZ 3.29Å; D237-K299 WeakPolarHBondContact OD2-CE 3.29Å; D237-K299 IonicContact OD2-NZ 2.97Å; K299-R303 WeakPolarHBondContact O-CG 3.48Å; K299-R303 PolarHBondContact O-N 2.9Å; K299-R303 VanDerWaalsContact O-N 3.1Å |
| 300 | K | 64.9 | Low | 68.5 | Low | 106 Ų | 106 | 54.4 Ų | 54.4 | 46% | 0.461 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -67.6 | -37.4 | 173.8 | -64.2 | -176 | 177.7 | -178 | 0 | 111.4 | L56 N298 A304 I319 | L56-K300 HydrophobicContact CD2-CB 4.11Å; N298-K300 PolarHBondContact O-N 3.46Å; N298-K300 VanDerWaalsContact O-N 3.08Å; N298-K300 WeakPolarHBondContact OD1-CB 3.49Å; N298-K300 PolarHBondContact OD1-N 3.14Å; K300-A304 WeakPolarHBondContact O-CB 3.41Å; K300-A304 PolarHBondContact O-N 2.95Å; K300-I319 HydrophobicContact CD-CD1 4.42Å |
| 301 | F | 68.2 | Low | 67.8 | Low | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68.7 | -45.5 | 175.5 | -77.6 | -106 | 0 | 0 | 0 | 111.3 | M49 F50 I64 N298 R303 A304 I305 | M49-F301 HydrophobicContact CE-CB 3.87Å; M49-F301 HydrophobicContact CE-CD1 3.26Å; M49-F301 HydrophobicContact CE-CE1 4.06Å; M49-F301 HydrophobicContact CE-CG 3.85Å; M49-F301 HydrophobicContact SD-CD1 4.33Å; F50-F301 AromaticContact CE1-CE1 3.71Å; F50-F301 HydrophobicContact CE1-CE1 3.71Å; F50-F301 AromaticContact CE1-CZ 3.49Å; F50-F301 HydrophobicContact CE1-CZ 3.49Å; F50-F301 VanDerWaalsContact CE1-CZ 3.49Å; F50-F301 AromaticContact CE2-CE1 3.91Å; F50-F301 HydrophobicContact CE2-CE1 3.91Å; F50-F301 HydrophobicContact CE2-CZ 4.34Å; F50-F301 AromaticContact CZ-CE1 3.27Å; F50-F301 HydrophobicContact CZ-CE1 3.27Å; F50-F301 AromaticContact CZ-CZ 3.29Å; F50-F301 HydrophobicContact CZ-CZ 3.29Å; I64-F301 HydrophobicContact CD1-CE2 4.29Å; I64-F301 HydrophobicContact CD1-CZ 3.85Å; N298-F301 HydrophobicContact CB-CB 4.21Å; N298-F301 HydrophobicContact CB-CD2 3.42Å; N298-F301 VanDerWaalsContact CB-CD2 3.42Å; N298-F301 HydrophobicContact CB-CE2 4.11Å; N298-F301 HydrophobicContact CB-CG 4.15Å; N298-F301 WeakPolarHBondContact ND2-CD2 3.26Å; N298-F301 WeakPolarHBondContact ND2-CE2 3.48Å; N298-F301 WeakPolarHBondContact O-CA 3.33Å; N298-F301 WeakPolarHBondContact O-CB 3.45Å; N298-F301 PolarHBondContact O-N 3.06Å; F301-R303 VanDerWaalsContact C-N 3.3Å; F301-R303 PolarHBondContact O-N 3.29Å; F301-A304 PolarHBondContact O-N 3.1Å; F301-A304 VanDerWaalsContact O-N 3.12Å; F301-I305 WeakPolarHBondContact O-CG1 3.27Å; F301-I305 PolarHBondContact O-N 3.46Å |
| 302 | R | 71 | Confident | 67.2 | Low | 107 Ų | 107 | 62.3 Ų | 62.3 | 40% | 0.404 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -55.4 | -45.1 | 175.2 | -172.5 | 170.2 | 65.9 | -156.3 | 1.7 | 112 | N298 I305 I306 | N298-R302 PolarHBondContact O-N 3.18Å; N298-R302 VanDerWaalsContact O-N 3.08Å; R302-I305 PolarHBondContact O-N 3.17Å; R302-I306 HydrophobicContact CG-CD1 4.19Å; R302-I306 VanDerWaalsContact O-CG1 3.31Å; R302-I306 WeakPolarHBondContact O-CG1 3.35Å; R302-I306 PolarHBondContact O-N 3.4Å |
| 303 | R | 70.8 | Confident | 66.5 | Low | 126 Ų | 126 | 64.7 Ų | 64.7 | 48% | 0.475 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63.5 | -43.3 | 175.7 | -76.3 | -173.4 | -74.5 | 177.1 | -7.1 | 112.6 | K299 F301 I306 G307 | K299-R303 WeakPolarHBondContact O-CG 3.48Å; K299-R303 PolarHBondContact O-N 2.9Å; K299-R303 VanDerWaalsContact O-N 3.1Å; F301-R303 VanDerWaalsContact C-N 3.3Å; F301-R303 PolarHBondContact O-N 3.29Å; R303-I306 PolarHBondContact O-N 3.17Å; R303-G307 PolarHBondContact O-N 3.16Å |
| 304 | A | 67.8 | Low | 65.7 | Low | 6 Ų | 6 | 73.5 Ų | 73.5 | 5% | 0.05 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.6 | -39.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | M49 F53 L56 K300 F301 G307 M308 | M49-A304 HydrophobicContact CE-CB 3.74Å; F53-A304 HydrophobicContact CD2-CB 3.79Å; F53-A304 HydrophobicContact CE2-CB 3.71Å; F53-A304 HydrophobicContact CG-CB 4.45Å; F53-A304 HydrophobicContact CZ-CB 4.34Å; L56-A304 HydrophobicContact CD1-CB 3.93Å; K300-A304 WeakPolarHBondContact O-CB 3.41Å; K300-A304 PolarHBondContact O-N 2.95Å; F301-A304 PolarHBondContact O-N 3.1Å; F301-A304 VanDerWaalsContact O-N 3.12Å; A304-G307 PolarHBondContact O-N 2.84Å; A304-M308 WeakPolarHBondContact O-CG 3.32Å; A304-M308 PolarHBondContact O-N 2.93Å |
| 305 | I | 73.3 | Confident | 64.8 | Low | 30 Ų | 30 | 81.3 Ų | 81.3 | 15% | 0.154 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -63 | -47.8 | 174.7 | -71.8 | 175.3 | 0 | 0 | 0 | 111.1 | M49 V295 F301 R302 G307 M308 I309 | M49-I305 HydrophobicContact CE-CD1 4.46Å; M49-I305 HydrophobicContact CE-CG1 3.94Å; M49-I305 HydrophobicContact CG-CG1 4.46Å; M49-I305 HydrophobicContact SD-CD1 3.75Å; M49-I305 HydrophobicContact SD-CG1 3.29Å; M49-I305 WeakPolarHBondContact SD-CG1 3.33Å; V295-I305 HydrophobicContact CB-CD1 4.04Å; V295-I305 HydrophobicContact CG1-CD1 3.56Å; V295-I305 HydrophobicContact CG2-CD1 3.28Å; F301-I305 WeakPolarHBondContact O-CG1 3.27Å; F301-I305 PolarHBondContact O-N 3.46Å; R302-I305 PolarHBondContact O-N 3.17Å; I305-G307 PolarHBondContact O-N 3.42Å; I305-M308 HydrophobicContact CG1-CE 4.36Å; I305-M308 PolarHBondContact O-N 3.15Å; I305-M308 VanDerWaalsContact O-N 3.07Å; I305-I309 HydrophobicContact CG2-CD1 3.69Å; I305-I309 HydrophobicContact CG2-CG1 4.32Å; I305-I309 WeakPolarHBondContact O-CG1 3.44Å; I305-I309 PolarHBondContact O-N 2.97Å |
| 306 | I | 73.8 | Confident | 64 | Low | 77 Ų | 77 | 89.6 Ų | 89.6 | 40% | 0.395 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -59 | -40.3 | 175.8 | -67 | 165.9 | 0 | 0 | 0 | 110.4 | R302 R303 M308 I309 R310 | R302-I306 HydrophobicContact CG-CD1 4.19Å; R302-I306 VanDerWaalsContact O-CG1 3.31Å; R302-I306 WeakPolarHBondContact O-CG1 3.35Å; R302-I306 PolarHBondContact O-N 3.4Å; R303-I306 PolarHBondContact O-N 3.17Å; I306-M308 PolarHBondContact O-N 2.85Å; I306-I309 PolarHBondContact O-N 2.97Å; I306-R310 HydrophobicContact CG2-CG 4.33Å; I306-R310 VanDerWaalsContact O-CB 3.29Å; I306-R310 WeakPolarHBondContact O-CB 3.48Å; I306-R310 WeakPolarHBondContact O-CG 3.48Å; I306-R310 PolarHBondContact O-N 3.26Å |
| 307 | G | 67.5 | Low | 63.6 | Low | 2 Ų | 2 | 87.5 Ų | 87.5 | 2% | 0.021 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -62.8 | -36.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | R303 A304 I305 C311 Q312 | R303-G307 PolarHBondContact O-N 3.16Å; A304-G307 PolarHBondContact O-N 2.84Å; I305-G307 PolarHBondContact O-N 3.42Å; G307-C311 PolarHBondContact O-N 2.97Å; G307-Q312 PolarHBondContact O-N 3.4Å |
| 308 | M | 70.8 | Confident | 63 | Low | 36 Ų | 36 | 91.3 Ų | 91.3 | 18% | 0.177 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -70 | -46.5 | 173.9 | -68.5 | -164.8 | -53.1 | 0 | 0 | 112.5 | V45 M49 K52 F53 A304 I305 I306 R310 C311 | V45-M308 HydrophobicContact CG1-CE 3.77Å; M49-M308 HydrophobicContact CB-CE 4.44Å; M49-M308 HydrophobicContact CG-CE 3.15Å; M49-M308 HydrophobicContact CG-SD 3.74Å; M49-M308 HydrophobicContact SD-CE 4Å; K52-M308 HydrophobicContact CD-CG 4.04Å; K52-M308 HydrophobicContact CD-SD 4.23Å; F53-M308 HydrophobicContact CE2-CG 3.71Å; F53-M308 HydrophobicContact CE2-SD 4.19Å; F53-M308 HydrophobicContact CZ-CG 4.09Å; A304-M308 WeakPolarHBondContact O-CG 3.32Å; A304-M308 PolarHBondContact O-N 2.93Å; I305-M308 HydrophobicContact CG1-CE 4.36Å; I305-M308 PolarHBondContact O-N 3.15Å; I305-M308 VanDerWaalsContact O-N 3.07Å; I306-M308 PolarHBondContact O-N 2.85Å; M308-R310 VanDerWaalsContact C-N 3.28Å; M308-R310 PolarHBondContact O-N 3.5Å; M308-C311 PolarHBondContact O-N 3.27Å |
| 309 | I | 75.5 | Confident | 62.3 | Low | 132 Ų | 132 | 91.5 Ų | 91.5 | 68% | 0.677 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -63.1 | -37.4 | 179.5 | -66.5 | 171.6 | 0 | 0 | 0 | 110.7 | I305 I306 C311 | I305-I309 HydrophobicContact CG2-CD1 3.69Å; I305-I309 HydrophobicContact CG2-CG1 4.32Å; I305-I309 WeakPolarHBondContact O-CG1 3.44Å; I305-I309 PolarHBondContact O-N 2.97Å; I306-I309 PolarHBondContact O-N 2.97Å; I309-C311 PolarHBondContact O-N 3.42Å |
| 310 | R | 76.4 | Confident | 60.9 | Low | 174 Ų | 174 | 94 Ų | 94 | 66% | 0.657 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | 10 | 176.5 | -67.6 | -175.7 | 174.6 | -172.1 | -2.5 | 113.9 | I306 M308 Q312 | I306-R310 HydrophobicContact CG2-CG 4.33Å; I306-R310 VanDerWaalsContact O-CB 3.29Å; I306-R310 WeakPolarHBondContact O-CB 3.48Å; I306-R310 WeakPolarHBondContact O-CG 3.48Å; I306-R310 PolarHBondContact O-N 3.26Å; M308-R310 VanDerWaalsContact C-N 3.28Å; M308-R310 PolarHBondContact O-N 3.5Å; R310-Q312 HydrophobicContact CB-CG 3.94Å; R310-Q312 PolarHBondContact O-N 3.44Å |
| 311 | C | 64.9 | Low | 59.6 | Low | 107 Ų | 107 | 95.4 Ų | 95.4 | 72% | 0.723 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.2 | 34 | -177.3 | -70.7 | 0 | 0 | 0 | 0 | 113.8 | G307 M308 I309 T313 | G307-C311 PolarHBondContact O-N 2.97Å; M308-C311 PolarHBondContact O-N 3.27Å; I309-C311 PolarHBondContact O-N 3.42Å; C311-T313 PolarHBondContact O-N 2.93Å |
| 312 | Q | 61.6 | Low | 57.9 | Low | 70 Ų | 70 | 103.6 Ų | 103.6 | 33% | 0.327 | 51% | 0.505 | S | S | . | . | trans | -73.3 | 120.5 | -177.2 | -69.9 | -175.2 | -21.4 | 0 | 0 | 109.6 | G307 R310 | G307-Q312 PolarHBondContact O-N 3.4Å; R310-Q312 HydrophobicContact CB-CG 3.94Å; R310-Q312 PolarHBondContact O-N 3.44Å | ||
| 313 | T | 53.3 | Low | 56.4 | Low | 118 Ų | 118 | 104.3 Ų | 104.3 | 72% | 0.724 | 52% | 0.521 | S | S | * | . | trans | -63.3 | 143.4 | 174.9 | -46.2 | 0 | 0 | 0 | 0 | 110 | C311 Q315 R316 | C311-T313 PolarHBondContact O-N 2.93Å; T313-Q315 PolarHBondContact O-N 3.06Å; T313-R316 PolarHBondContact O-N 3.3Å | ||
| 314 | R | 49.9 | Very low | 54.6 | Low | 192 Ų | 192 | 103.4 Ų | 103.4 | 73% | 0.725 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -40.6 | -15.8 | -170.5 | -162.3 | 177.4 | -179.6 | -155.2 | -1.5 | 118.3 | ||
| 315 | Q | 46.1 | Very low | 53.1 | Low | 178 Ų | 178 | 111.1 Ų | 111.1 | 83% | 0.832 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | -10.6 | -171.6 | -78.6 | 177.6 | -27.1 | 0 | 0 | 115.8 | T313 | T313-Q315 PolarHBondContact O-N 3.06Š|
| 316 | R | 45.2 | Very low | 51.4 | Low | 211 Ų | 211 | 115.8 Ų | 115.8 | 80% | 0.796 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -105.2 | -0.3 | -174.3 | -127.6 | -171.8 | -155.5 | -157.5 | 7.5 | 116.6 | T313 T318 | T313-R316 PolarHBondContact O-N 3.3Å; R316-T318 VanDerWaalsContact C-N 3.3Å; R316-T318 PolarHBondContact O-N 2.77Å |
| 317 | I | 49.2 | Very low | 49.7 | Very low | 46 Ų | 46 | 118.3 Ų | 118.3 | 24% | 0.236 | 61% | 0.612 | C | S | . | * | trans | -98.1 | 60.3 | 172.3 | -57.6 | 162.3 | 0 | 0 | 0 | 107.8 | F53 I319 | F53-I317 HydrophobicContact CD1-CD1 4.4Å; F53-I317 HydrophobicContact CE1-CD1 3.53Å; F53-I317 HydrophobicContact CZ-CD1 3.96Å; I317-I319 VanDerWaalsContact C-N 3.34Å; I317-I319 HydrophobicContact CG2-CG1 4.05Å; I317-I319 PolarHBondContact O-N 2.83Å | ||
| 318 | T | 42.8 | Very low | 48.1 | Very low | 120 Ų | 120 | 122.8 Ų | 122.8 | 74% | 0.736 | 64% | 0.643 | S | S | * | * | trans | -74.6 | 100.1 | 155.5 | -44.2 | 0 | 0 | 0 | 0 | 104.5 | R316 S320 | R316-T318 VanDerWaalsContact C-N 3.3Å; R316-T318 PolarHBondContact O-N 2.77Å; T318-S320 VanDerWaalsContact C-N 3.34Å; T318-S320 PolarHBondContact O-N 3.26Å | ||
| 319 | I | 50.8 | Low | 46.5 | Very low | 46 Ų | 46 | 129.5 Ų | 129.5 | 24% | 0.236 | 67% | 0.674 | C | S | . | * | trans | -57.8 | 106.7 | 168.2 | -64 | 175.4 | 0 | 0 | 0 | 104.9 | K300 I317 T321 | K300-I319 HydrophobicContact CD-CD1 4.42Å; I317-I319 VanDerWaalsContact C-N 3.34Å; I317-I319 HydrophobicContact CG2-CG1 4.05Å; I317-I319 PolarHBondContact O-N 2.83Å; I319-T321 VanDerWaalsContact C-N 3.34Å; I319-T321 PolarHBondContact O-N 3.19Å | ||
| 320 | S | 34.2 | Very low | 44.5 | Very low | 91 Ų | 91 | 131.4 Ų | 131.4 | 64% | 0.636 | 68% | 0.68 | S | S | * | * | trans | -58.5 | 95.5 | -175 | -170.7 | 0 | 0 | 0 | 0 | 110.3 | T318 Q322 | T318-S320 VanDerWaalsContact C-N 3.34Å; T318-S320 PolarHBondContact O-N 3.26Å; S320-Q322 VanDerWaalsContact C-N 3.27Å | ||
| 321 | T | 39.1 | Very low | 42.6 | Very low | 135 Ų | 135 | 128.6 Ų | 128.6 | 83% | 0.828 | 68% | 0.684 | S | S | * | * | trans | -94.5 | 64.8 | 150.3 | 21.2 | 0 | 0 | 0 | 0 | 106.6 | I319 | I319-T321 VanDerWaalsContact C-N 3.34Å; I319-T321 PolarHBondContact O-N 3.19Å | ||
| 322 | Q | 31.8 | Very low | 41.3 | Very low | 171 Ų | 171 | 132 Ų | 132 | 80% | 0.799 | 69% | 0.694 | S | S | * | * | trans | -95.8 | 96.8 | 157.5 | -74.5 | -159.4 | -23.2 | 0 | 0 | 107.5 | S320 | S320-Q322 VanDerWaalsContact C-N 3.27Š| ||
| 323 | V | 39 | Very low | 40.3 | Very low | 122 Ų | 122 | 134.5 Ų | 134.5 | 74% | 0.739 | 71% | 0.714 | S | S | * | * | trans | -66.4 | 125.5 | 153.1 | -179.1 | 0 | 0 | 0 | 0 | 105.6 | M325 | V323-M325 PolarHBondContact O-N 3.15Å; V323-M325 VanDerWaalsContact O-N 3.07Å | ||
| 324 | P | 34.1 | Very low | 39.6 | Very low | 107 Ų | 107 | 141.5 Ų | 141.5 | 70% | 0.695 | 74% | 0.739 | S | S | * | * | trans | -69.9 | 107.3 | 170.6 | 25.4 | -24.7 | 0 | 0 | 0 | 107.5 | T326 | P324-T326 PolarHBondContact O-N 3.31Š| ||
| 325 | M | 35.9 | Very low | 39 | Very low | 168 Ų | 168 | 139 Ų | 139 | 83% | 0.828 | 74% | 0.739 | S | S | * | * | trans | -74.9 | 83.3 | 161.2 | -79.2 | -165.2 | -69.6 | 0 | 0 | 108 | V323 I327 | V323-M325 PolarHBondContact O-N 3.15Å; V323-M325 VanDerWaalsContact O-N 3.07Å; M325-I327 VanDerWaalsContact C-N 3.34Å; M325-I327 PolarHBondContact O-N 3Å | ||
| 326 | T | 38.5 | Very low | 38.7 | Very low | 129 Ų | 129 | 136.9 Ų | 136.9 | 79% | 0.791 | 73% | 0.734 | S | S | * | * | trans | -83.3 | 86.5 | 157.1 | 3.5 | 0 | 0 | 0 | 0 | 107.3 | P324 S328 | P324-T326 PolarHBondContact O-N 3.31Å; T326-S328 PolarHBondContact O-N 3.17Å | ||
| 327 | I | 36.6 | Very low | 38.3 | Very low | 130 Ų | 130 | 132.8 Ų | 132.8 | 67% | 0.667 | 73% | 0.731 | S | S | * | * | trans | -83.6 | 95.8 | 160.2 | -61.3 | 177.4 | 0 | 0 | 0 | 106 | M325 Q329 | M325-I327 VanDerWaalsContact C-N 3.34Å; M325-I327 PolarHBondContact O-N 3Å; I327-Q329 HydrophobicContact CG2-CG 3.99Å; I327-Q329 PolarHBondContact O-N 3.39Å; I327-Q329 VanDerWaalsContact O-N 3.17Å | ||
| 328 | S | 34.6 | Very low | 37.7 | Very low | 96 Ų | 96 | 137.9 Ų | 137.9 | 67% | 0.671 | 76% | 0.76 | S | S | * | * | trans | -69.2 | 96.4 | 161.2 | 160.3 | 0 | 0 | 0 | 0 | 107.9 | T326 Q330 | T326-S328 PolarHBondContact O-N 3.17Å; S328-Q330 PolarHBondContact O-N 3.07Å | ||
| 329 | Q | 36.1 | Very low | 37.3 | Very low | 177 Ų | 177 | 139 Ų | 139 | 83% | 0.827 | 76% | 0.762 | S | S | * | * | trans | -76.1 | 98.9 | 162 | -74.4 | -174.5 | -30.5 | 0 | 0 | 108.1 | I327 | I327-Q329 HydrophobicContact CG2-CG 3.99Å; I327-Q329 PolarHBondContact O-N 3.39Å; I327-Q329 VanDerWaalsContact O-N 3.17Å | ||
| 330 | Q | 34 | Very low | 36.5 | Very low | 172 Ų | 172 | 145.2 Ų | 145.2 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | -82 | 127.8 | 156.6 | -85.1 | 178.6 | -44.2 | 0 | 0 | 108.1 | S328 L332 | S328-Q330 PolarHBondContact O-N 3.07Å; Q330-L332 PolarHBondContact O-N 3.35Å | ||
| 331 | P | 36.3 | Very low | 36.6 | Very low | 115 Ų | 115 | 149.1 Ų | 149.1 | 75% | 0.747 | 81% | 0.808 | S | S | * | * | trans | -74.8 | 124.3 | 170 | 29 | -28.8 | 0 | 0 | 0 | 109.1 | T333 | P331-T333 PolarHBondContact O-N 3.39Š| ||
| 332 | L | 38.1 | Very low | 36.4 | Very low | 179 Ų | 179 | 150.2 Ų | 150.2 | 94% | 0.937 | 81% | 0.807 | S | S | * | * | trans | -65.9 | 108.2 | 165.5 | -85.2 | 154.3 | 0 | 0 | 0 | 108.4 | Q330 | Q330-L332 PolarHBondContact O-N 3.35Š| ||
| 333 | T | 41 | Very low | 36.8 | Very low | 121 Ų | 121 | 148.4 Ų | 148.4 | 74% | 0.742 | 81% | 0.807 | S | S | * | * | trans | -87.7 | 136.9 | 158.4 | 39.4 | 0 | 0 | 0 | 0 | 109.8 | P331 | P331-T333 PolarHBondContact O-N 3.39Š| ||
| 334 | Q | 37.5 | Very low | 36.6 | Very low | 265 Ų | 265 | 150.8 Ų | 150.8 | 100% | 1.238 | 81% | 0.813 | S | S | * | * | trans | 91.7 | 0 | 175.3 | -60.1 | -168.4 | -12.9 | 0 | 0 | 116.5 |
Retrieved 334 of 334 residues in 845.4 ms
(Link to these results)