| 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 | 31.6 | Very low | 38.6 | Very low | 241 Ų | 241 | 113.9 Ų | 113.9 | 100% | 1.187 | 76% | 0.757 | S | S | * | * | 0 | 108 | 0 | -83.1 | 171.9 | 171.4 | 0 | 0 | 107.4 | |||||
| 2 | E | 33 | Very low | 38.1 | Very low | 154 Ų | 154 | 110.5 Ų | 110.5 | 72% | 0.72 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 149.2 | -176.6 | -67.9 | -162 | 119.6 | 0 | 0 | 111.6 | ||
| 3 | P | 40.2 | Very low | 38.1 | Very low | 83 Ų | 83 | 109.2 Ų | 109.2 | 54% | 0.539 | 77% | 0.772 | S | S | . | * | P | Polyproline II helix | trans | -69.3 | 134.4 | 173.4 | 26.4 | -30.5 | 0 | 0 | 0 | 111.5 | ||
| 4 | W | 40.7 | Very low | 37.9 | Very low | 148 Ų | 148 | 106.1 Ų | 106.1 | 56% | 0.561 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -56.7 | 152.2 | 170 | -90.5 | 68.7 | 0 | 0 | 0 | 112.3 | ||
| 5 | P | 47.7 | Very low | 38.2 | Very low | 44 Ų | 44 | 109.4 Ų | 109.4 | 29% | 0.286 | 78% | 0.778 | S | S | . | * | P | Polyproline II helix | cis | -95.8 | 148 | 7.9 | 30 | -18.9 | 0 | 0 | 0 | 113.6 | Y63 | P5-Y63 HydrophobicContact CB-CE1 4.5Å; P5-Y63 VanDerWaalsContact CB-OH 3.29Å; P5-Y63 WeakPolarHBondContact CB-OH 3.42Å; P5-Y63 WeakPolarHBondContact CG-OH 3.29Å |
| 6 | C | 43.2 | Very low | 39.1 | Very low | 97 Ų | 97 | 117.4 Ų | 117.4 | 66% | 0.655 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -99.8 | 127.3 | 175.7 | -75 | 0 | 0 | 0 | 0 | 111.4 | ||
| 7 | S | 45.3 | Very low | 40.3 | Very low | 123 Ų | 123 | 114.3 Ų | 114.3 | 86% | 0.86 | 77% | 0.771 | S | S | * | * | -153.4 | 133.3 | 125.4 | 65.5 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 8 | A | 43.3 | Very low | 42.5 | Very low | 109 Ų | 109 | 118.3 Ų | 118.3 | 90% | 0.901 | 77% | 0.767 | S | S | * | * | trans | -86.4 | 163.2 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 9 | G | 32.5 | Very low | 44.5 | Very low | 84 Ų | 84 | 117.3 Ų | 117.3 | 87% | 0.866 | 75% | 0.751 | S | S | * | * | trans | 146.5 | 113.1 | 149.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 10 | G | 30 | Very low | 46.6 | Very low | 81 Ų | 81 | 111.6 Ų | 111.6 | 84% | 0.835 | 71% | 0.714 | S | S | * | * | trans | 119.9 | 100.2 | 152.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 11 | G | 37.6 | Very low | 48.7 | Very low | 89 Ų | 89 | 108.3 Ų | 108.3 | 92% | 0.918 | 69% | 0.691 | S | S | * | * | trans | -64.2 | 153.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 12 | G | 32.1 | Very low | 51.4 | Low | 73 Ų | 73 | 96.8 Ų | 96.8 | 75% | 0.753 | 63% | 0.634 | S | S | * | * | trans | 148.6 | 118.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 13 | G | 38.1 | Very low | 54.1 | Low | 93 Ų | 93 | 89.9 Ų | 89.9 | 96% | 0.959 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -56.8 | 138 | -168 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 14 | G | 35.6 | Very low | 56.5 | Low | 66 Ų | 66 | 86 Ų | 86 | 68% | 0.68 | 58% | 0.576 | S | S | * | * | trans | 142.1 | 108.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | R16 | G14-R16 PolarHBondContact O-N 2.85Š| ||
| 15 | T | 42.2 | Very low | 58.6 | Low | 156 Ų | 156 | 80.3 Ų | 80.3 | 96% | 0.957 | 56% | 0.564 | S | S | * | * | trans | -64 | 78.2 | 175.7 | 36 | 0 | 0 | 0 | 0 | 110.8 | A17 | T15-A17 PolarHBondContact O-N 3.04Š| ||
| 16 | R | 51.9 | Low | 60.4 | Low | 238 Ų | 238 | 80.9 Ų | 80.9 | 90% | 0.898 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 122 | 170.4 | -90.8 | -178.5 | 170.1 | 172.5 | -1.9 | 108.5 | G14 R18 | G14-R16 PolarHBondContact O-N 2.85Å; R16-R18 PolarHBondContact O-N 2.9Å |
| 17 | A | 60.3 | Low | 62.4 | Low | 64 Ų | 64 | 77.2 Ų | 77.2 | 53% | 0.529 | 55% | 0.553 | S | S | . | * | P | Polyproline II helix | trans | -57.7 | 121.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109 | T15 H19 | T15-A17 PolarHBondContact O-N 3.04Å; A17-H19 PolarHBondContact O-CD2 3.37Å; A17-H19 PolarHBondContact O-N 3.39Å; A17-H19 PolarHBondContact O-NE2 3.42Å |
| 18 | R | 79.6 | Confident | 64.5 | Low | 187 Ų | 187 | 78 Ų | 78 | 71% | 0.706 | 54% | 0.538 | S | S | * | . | P | Polyproline II helix | trans | -62.9 | 133.2 | 173.2 | -70.9 | -178.2 | 175.3 | 177.5 | -2.1 | 108.8 | R16 W33 | R16-R18 PolarHBondContact O-N 2.9Å; R18-W33 HydrophobicContact CB-CB 3.88Å; R18-W33 WeakPolarHBondContact O-CB 3.4Å; R18-W33 PolarHBondContact O-N 3.35Å |
| 19 | H | 81.4 | Confident | 66.6 | Low | 98 Ų | 98 | 73.3 Ų | 73.3 | 45% | 0.454 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 153.3 | -179.1 | -72.1 | -73.4 | 0 | 0 | 0 | 111.2 | A17 R30 L31 | A17-H19 PolarHBondContact O-CD2 3.37Å; A17-H19 PolarHBondContact O-N 3.39Å; A17-H19 PolarHBondContact O-NE2 3.42Å; H19-R30 HydrophobicContact CB-CG 3.97Å; H19-L31 CarbonylContact C-O 3.59Å; H19-L31 VanDerWaalsContact CA-O 3.26Å; H19-L31 WeakPolarHBondContact CA-O 3.29Å; H19-L31 PolarHBondContact ND1-O 3.5Å |
| 20 | V | 86.7 | Confident | 69.2 | Low | 3 Ų | 3 | 78 Ų | 78 | 2% | 0.018 | 49% | 0.489 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 142.4 | 174.9 | 176.7 | 0 | 0 | 0 | 0 | 109.5 | I22 R30 L31 W33 L36 F70 | V20-I22 HydrophobicContact CG1-CG1 4.17Å; V20-R30 WeakPolarHBondContact O-CA 3.43Å; V20-L31 PolarHBondContact N-O 3.43Å; V20-L31 PolarHBondContact O-N 3.02Å; V20-W33 HydrophobicContact CG2-CD2 4.14Å; V20-W33 HydrophobicContact CG2-CE3 3.04Å; V20-W33 HydrophobicContact CG2-CZ3 3.36Å; V20-L36 HydrophobicContact CG2-CD1 4.12Å; V20-F70 HydrophobicContact CG1-CD2 3.4Å; V20-F70 VanDerWaalsContact CG1-CD2 3.4Å; V20-F70 HydrophobicContact CG1-CE2 3.46Å; V20-F70 VanDerWaalsContact CG1-CE2 3.46Å |
| 21 | I | 88.8 | Confident | 71.7 | Confident | 43 Ų | 43 | 75.4 Ų | 75.4 | 22% | 0.221 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 122.3 | 172.7 | -56.4 | 176.6 | 0 | 0 | 0 | 109 | E69 F70 | I21-E69 HydrophobicContact CB-CB 3.97Å; I21-E69 HydrophobicContact CG2-CB 3.78Å; I21-E69 WeakPolarHBondContact O-CA 3.32Å; I21-F70 PolarHBondContact O-N 3.47Å |
| 22 | I | 89.1 | Confident | 73.8 | Confident | 0 Ų | 0 | 72.7 Ų | 72.7 | 0% | 0 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 119.3 | 174.3 | -59.2 | 174.8 | 0 | 0 | 0 | 107.5 | V20 V24 R28 V29 L31 L44 F72 F79 | V20-I22 HydrophobicContact CG1-CG1 4.17Å; I22-V24 HydrophobicContact CG2-CG2 3.87Å; I22-R28 CarbonylContact O-C 3.56Å; I22-R28 WeakPolarHBondContact O-CA 3.34Å; I22-V29 PolarHBondContact N-O 2.98Å; I22-V29 PolarHBondContact O-N 2.95Å; I22-L31 HydrophobicContact CD1-CD1 3.6Å; I22-L31 HydrophobicContact CD1-CG 4.4Å; I22-L44 HydrophobicContact CD1-CD1 3.56Å; I22-L44 HydrophobicContact CD1-CD2 3.66Å; I22-L44 HydrophobicContact CD1-CG 4.2Å; I22-L44 HydrophobicContact CG2-CD2 4.44Å; I22-F72 HydrophobicContact CG2-CD2 3.9Å; I22-F72 HydrophobicContact CG2-CE2 3.78Å; I22-F79 HydrophobicContact CG2-CZ 4.02Å |
| 23 | N | 90.7 | Very high | 76.1 | Confident | 9 Ų | 9 | 72 Ų | 72 | 5% | 0.048 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 111.2 | 179.1 | -175.1 | 0.1 | 0 | 0 | 0 | 109.5 | G26 R28 E69 F70 F71 F72 | N23-G26 WeakPolarHBondContact OD1-CA 3.41Å; N23-G26 PolarHBondContact OD1-N 2.91Å; N23-R28 HydrophobicContact CB-CG 4.15Å; N23-E69 PolarHBondContact ND2-OE1 3.42Å; N23-F70 PolarHBondContact N-O 3.49Å; N23-F71 HydrophobicContact CB-CD2 4.14Å; N23-F71 CarbonylContact O-C 3.57Å; N23-F71 VanDerWaalsContact O-CA 3.32Å; N23-F71 WeakPolarHBondContact O-CA 3.31Å; N23-F72 PolarHBondContact O-N 2.94Å |
| 24 | V | 90.3 | Very high | 78 | Confident | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 105.2 | 178.4 | -173.5 | 0 | 0 | 0 | 0 | 109.6 | I22 G26 C27 F72 R74 F79 W109 | I22-V24 HydrophobicContact CG2-CG2 3.87Å; V24-G26 PolarHBondContact O-N 2.97Å; V24-G26 VanDerWaalsContact O-N 3.12Å; V24-C27 PolarHBondContact N-O 3.47Å; V24-C27 VanDerWaalsContact O-CB 3.27Å; V24-C27 WeakPolarHBondContact O-CB 3.38Å; V24-C27 PolarHBondContact O-N 3.44Å; V24-F72 CarbonylContact C-O 3.53Å; V24-F72 WeakPolarHBondContact CA-O 3.4Å; V24-F72 HydrophobicContact CB-CB 4.45Å; V24-F72 HydrophobicContact CG1-CB 4.24Å; V24-F72 HydrophobicContact CG2-CB 4.08Å; V24-F72 HydrophobicContact CG2-CD2 4.21Å; V24-F72 HydrophobicContact CG2-CG 4.41Å; V24-R74 HydrophobicContact CG1-CB 3.78Å; V24-F79 HydrophobicContact CB-CB 4.04Å; V24-F79 HydrophobicContact CB-CD1 3.58Å; V24-F79 HydrophobicContact CB-CD2 4.19Å; V24-F79 HydrophobicContact CB-CE1 4Å; V24-F79 HydrophobicContact CB-CG 3.67Å; V24-F79 HydrophobicContact CB-CZ 4.49Å; V24-F79 HydrophobicContact CG1-CB 3.84Å; V24-F79 HydrophobicContact CG1-CD1 4.31Å; V24-F79 HydrophobicContact CG1-CD2 4.25Å; V24-F79 HydrophobicContact CG1-CG 3.89Å; V24-F79 HydrophobicContact CG2-CB 4.48Å; V24-F79 HydrophobicContact CG2-CD1 3.49Å; V24-F79 VanDerWaalsContact CG2-CD1 3.49Å; V24-F79 HydrophobicContact CG2-CD2 3.71Å; V24-F79 HydrophobicContact CG2-CE1 3.41Å; V24-F79 VanDerWaalsContact CG2-CE1 3.41Å; V24-F79 HydrophobicContact CG2-CE2 3.65Å; V24-F79 HydrophobicContact CG2-CG 3.63Å; V24-F79 HydrophobicContact CG2-CZ 3.5Å; V24-F79 VanDerWaalsContact CG2-CZ 3.5Å; V24-W109 HydrophobicContact CG1-CH2 4.5Å; V24-W109 HydrophobicContact CG1-CZ2 3.91Å; V24-W109 HydrophobicContact CG2-CH2 3.7Å; V24-W109 HydrophobicContact CG2-CZ2 3.87Å |
| 25 | G | 84.6 | Confident | 79.8 | Confident | 30 Ų | 30 | 70.4 Ų | 70.4 | 31% | 0.309 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | 35.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | F72 | G25-F72 PolarHBondContact N-O 3.34Š|
| 26 | G | 84.4 | Confident | 81.4 | Confident | 56 Ų | 56 | 63 Ų | 63 | 58% | 0.577 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.8 | -7.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | N23 V24 R28 | N23-G26 WeakPolarHBondContact OD1-CA 3.41Å; N23-G26 PolarHBondContact OD1-N 2.91Å; V24-G26 PolarHBondContact O-N 2.97Å; V24-G26 VanDerWaalsContact O-N 3.12Å; G26-R28 PolarHBondContact O-N 3.02Å |
| 27 | C | 86.3 | Confident | 82.2 | Confident | 20 Ų | 20 | 53.8 Ų | 53.8 | 14% | 0.135 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 101.7 | 173.2 | -172.1 | 0 | 0 | 0 | 0 | 110.5 | V24 P76 F79 | V24-C27 PolarHBondContact N-O 3.47Å; V24-C27 VanDerWaalsContact O-CB 3.27Å; V24-C27 WeakPolarHBondContact O-CB 3.38Å; V24-C27 PolarHBondContact O-N 3.44Å; C27-P76 HydrophobicContact CB-CB 3.92Å; C27-F79 HydrophobicContact CB-CD1 4.3Å |
| 28 | R | 89 | Confident | 82.6 | Confident | 140 Ų | 140 | 61.7 Ų | 61.7 | 53% | 0.528 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 130.7 | 179.9 | -65.3 | 179.5 | 170.6 | 146.9 | 3.2 | 112.5 | I22 N23 G26 E69 | I22-R28 CarbonylContact O-C 3.56Å; I22-R28 WeakPolarHBondContact O-CA 3.34Å; N23-R28 HydrophobicContact CB-CG 4.15Å; G26-R28 PolarHBondContact O-N 3.02Å; R28-E69 IonicContact CZ-OE2 3.76Å; R28-E69 IonicContact NE-OE2 3.56Å; R28-E69 PolarHBondContact NE-OE2 2.87Å; R28-E69 IonicContact NH2-OE1 3.42Å; R28-E69 IonicContact NH2-OE2 3.53Å; R28-E69 PolarHBondContact NH2-OE2 3.44Å |
| 29 | V | 87 | Confident | 82.3 | Confident | 9 Ų | 9 | 53.3 Ų | 53.3 | 6% | 0.055 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 128.1 | 176.1 | -179.5 | 0 | 0 | 0 | 0 | 109.6 | I22 L31 F79 V83 | I22-V29 PolarHBondContact N-O 2.98Å; I22-V29 PolarHBondContact O-N 2.95Å; V29-L31 HydrophobicContact CG1-CD2 3.93Å; V29-L31 HydrophobicContact CG1-CG 4.09Å; V29-F79 HydrophobicContact CB-CE1 4.33Å; V29-F79 HydrophobicContact CG2-CD1 4.44Å; V29-F79 HydrophobicContact CG2-CE1 3.67Å; V29-F79 HydrophobicContact CG2-CZ 4.49Å; V29-V83 HydrophobicContact CG1-CG1 4.42Å; V29-V83 HydrophobicContact CG2-CG1 4.16Å; V29-V83 HydrophobicContact CG2-CG2 3.61Å |
| 30 | R | 87 | Confident | 81.7 | Confident | 182 Ų | 182 | 51 Ų | 51 | 69% | 0.687 | 28% | 0.279 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 121.7 | 174 | -169.8 | 176.7 | -67.4 | 155.5 | -0.2 | 109.5 | H19 V20 | H19-R30 HydrophobicContact CB-CG 3.97Å; V20-R30 WeakPolarHBondContact O-CA 3.43Å |
| 31 | L | 82.2 | Confident | 81.4 | Confident | 28 Ų | 28 | 50.8 Ų | 50.8 | 15% | 0.147 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 148.2 | 175.5 | -63.2 | 179.8 | 0 | 0 | 0 | 109.8 | H19 V20 I22 V29 L36 L44 L86 | H19-L31 CarbonylContact C-O 3.59Å; H19-L31 VanDerWaalsContact CA-O 3.26Å; H19-L31 WeakPolarHBondContact CA-O 3.29Å; H19-L31 PolarHBondContact ND1-O 3.5Å; V20-L31 PolarHBondContact N-O 3.43Å; V20-L31 PolarHBondContact O-N 3.02Å; I22-L31 HydrophobicContact CD1-CD1 3.6Å; I22-L31 HydrophobicContact CD1-CG 4.4Å; V29-L31 HydrophobicContact CG1-CD2 3.93Å; V29-L31 HydrophobicContact CG1-CG 4.09Å; L31-L36 HydrophobicContact CD1-CD2 4.31Å; L31-L44 HydrophobicContact CD1-CD1 4.46Å; L31-L86 HydrophobicContact CD1-CD1 4.33Å; L31-L86 HydrophobicContact CD2-CD1 4.3Å |
| 32 | A | 83.1 | Confident | 81 | Confident | 31 Ų | 31 | 51.1 Ų | 51.1 | 26% | 0.256 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 139.2 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | A34 A35 L36 | A32-A34 PolarHBondContact O-N 3.37Å; A32-A35 HydrophobicContact CB-CB 4.12Å; A32-A35 WeakPolarHBondContact O-CA 3.4Å; A32-A35 VanDerWaalsContact O-CB 3.28Å; A32-A35 WeakPolarHBondContact O-CB 3.49Å; A32-A35 PolarHBondContact O-N 2.91Å; A32-L36 PolarHBondContact O-N 3.49Å |
| 33 | W | 80.4 | Confident | 80.8 | Confident | 60 Ų | 60 | 54.6 Ų | 54.6 | 23% | 0.227 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -56 | -37.9 | 177.9 | -171.1 | -88.3 | 0 | 0 | 0 | 111.4 | R18 V20 A35 L36 R48 | R18-W33 HydrophobicContact CB-CB 3.88Å; R18-W33 WeakPolarHBondContact O-CB 3.4Å; R18-W33 PolarHBondContact O-N 3.35Å; V20-W33 HydrophobicContact CG2-CD2 4.14Å; V20-W33 HydrophobicContact CG2-CE3 3.04Å; V20-W33 HydrophobicContact CG2-CZ3 3.36Å; W33-A35 VanDerWaalsContact C-N 3.29Å; W33-A35 PolarHBondContact O-N 3.35Å; W33-L36 HydrophobicContact CD2-CD1 4.33Å; W33-L36 HydrophobicContact CE3-CD1 4.29Å; W33-L36 HydrophobicContact CZ3-CD1 4.47Å; W33-L36 WeakPolarHBondContact O-CB 3.35Å; W33-L36 PolarHBondContact O-N 3.08Å; W33-R48 HydrophobicContact CZ2-CG 4.44Å |
| 34 | A | 77.7 | Confident | 80.4 | Confident | 80 Ų | 80 | 54.1 Ų | 54.1 | 66% | 0.661 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -65.6 | -28.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | A32 L36 A37 | A32-A34 PolarHBondContact O-N 3.37Å; A34-L36 VanDerWaalsContact C-N 3.28Å; A34-L36 PolarHBondContact O-N 2.96Å; A34-A37 PolarHBondContact O-N 3.46Å |
| 35 | A | 73.6 | Confident | 80 | Confident | 45 Ų | 45 | 59 Ų | 59 | 37% | 0.372 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -74.1 | -18.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | A32 W33 A37 R38 C39 | A32-A35 HydrophobicContact CB-CB 4.12Å; A32-A35 WeakPolarHBondContact O-CA 3.4Å; A32-A35 VanDerWaalsContact O-CB 3.28Å; A32-A35 WeakPolarHBondContact O-CB 3.49Å; A32-A35 PolarHBondContact O-N 2.91Å; W33-A35 VanDerWaalsContact C-N 3.29Å; W33-A35 PolarHBondContact O-N 3.35Å; A35-A37 VanDerWaalsContact C-N 3.26Å; A35-A37 PolarHBondContact O-N 3.47Å; A35-R38 CarbonylContact O-C 3.53Å; A35-R38 PolarHBondContact O-N 2.89Å; A35-C39 PolarHBondContact O-N 2.9Å; A35-C39 VanDerWaalsContact O-N 3.08Å |
| 36 | L | 76.1 | Confident | 79.8 | Confident | 1 Ų | 1 | 64.5 Ų | 64.5 | 1% | 0.005 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.6 | -34 | 173.8 | -67.7 | 173.2 | 0 | 0 | 0 | 112 | V20 L31 A32 W33 A34 R38 C39 L44 | V20-L36 HydrophobicContact CG2-CD1 4.12Å; L31-L36 HydrophobicContact CD1-CD2 4.31Å; A32-L36 PolarHBondContact O-N 3.49Å; W33-L36 HydrophobicContact CD2-CD1 4.33Å; W33-L36 HydrophobicContact CE3-CD1 4.29Å; W33-L36 HydrophobicContact CZ3-CD1 4.47Å; W33-L36 WeakPolarHBondContact O-CB 3.35Å; W33-L36 PolarHBondContact O-N 3.08Å; A34-L36 VanDerWaalsContact C-N 3.28Å; A34-L36 PolarHBondContact O-N 2.96Å; L36-R38 PolarHBondContact O-N 2.87Å; L36-C39 VanDerWaalsContact O-CB 3.23Å; L36-C39 WeakPolarHBondContact O-CB 3.41Å; L36-C39 PolarHBondContact O-N 3.41Å; L36-L44 HydrophobicContact CD2-CB 4.31Å |
| 37 | A | 69.1 | Low | 79.7 | Confident | 44 Ų | 44 | 62.2 Ų | 62.2 | 36% | 0.364 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -20.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | A34 A35 | A34-A37 PolarHBondContact O-N 3.46Å; A35-A37 VanDerWaalsContact C-N 3.26Å; A35-A37 PolarHBondContact O-N 3.47Å |
| 38 | R | 68.5 | Low | 79.2 | Confident | 229 Ų | 229 | 68.1 Ų | 68.1 | 86% | 0.864 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.5 | 12.5 | 177 | -61.4 | 177.4 | 67.2 | -173 | 1.8 | 110.9 | A35 L36 P40 | A35-R38 CarbonylContact O-C 3.53Å; A35-R38 PolarHBondContact O-N 2.89Å; L36-R38 PolarHBondContact O-N 2.87Å; R38-P40 WeakPolarHBondContact O-CD 3.25Å |
| 39 | C | 71.6 | Confident | 78.4 | Confident | 12 Ų | 12 | 64.7 Ų | 64.7 | 8% | 0.081 | 33% | 0.328 | C | S | . | . | trans | -74.4 | 125.2 | -174.8 | -163.6 | 0 | 0 | 0 | 0 | 108.3 | A35 L36 L41 | A35-C39 PolarHBondContact O-N 2.9Å; A35-C39 VanDerWaalsContact O-N 3.08Å; L36-C39 VanDerWaalsContact O-CB 3.23Å; L36-C39 WeakPolarHBondContact O-CB 3.41Å; L36-C39 PolarHBondContact O-N 3.41Å; C39-L41 PolarHBondContact O-N 2.89Å | ||
| 40 | P | 70.1 | Confident | 78 | Confident | 48 Ų | 48 | 65 Ų | 65 | 31% | 0.312 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -75.4 | 18.2 | 178.2 | 36.2 | -40.4 | 0 | 0 | 0 | 112.9 | R38 L86 R115 | R38-P40 WeakPolarHBondContact O-CD 3.25Å; P40-L86 HydrophobicContact CG-CD2 3.69Å; P40-R115 VanDerWaalsContact CB-NH2 3.33Å |
| 41 | L | 80.8 | Confident | 77.3 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 33% | 0.331 | C | S | . | . | trans | -113.2 | 96 | -179.4 | -55.5 | 177.5 | 0 | 0 | 0 | 107.2 | C39 R43 L44 E45 I82 L86 W109 I111 | C39-L41 PolarHBondContact O-N 2.89Å; L41-R43 PolarHBondContact O-N 3.42Å; L41-R43 VanDerWaalsContact O-N 3.09Å; L41-L44 HydrophobicContact CB-CB 4.13Å; L41-L44 HydrophobicContact CB-CD1 4.06Å; L41-L44 HydrophobicContact CB-CG 4.14Å; L41-L44 HydrophobicContact CD1-CD1 3.46Å; L41-L44 VanDerWaalsContact CD1-CD1 3.46Å; L41-L44 HydrophobicContact CD1-CG 4.36Å; L41-L44 HydrophobicContact CG-CD1 4.35Å; L41-L44 PolarHBondContact O-N 3.12Å; L41-E45 PolarHBondContact O-N 3.36Å; L41-E45 VanDerWaalsContact O-N 3.11Å; L41-I82 HydrophobicContact CD1-CG2 3.78Å; L41-I82 HydrophobicContact CD2-CG2 3.56Å; L41-I82 HydrophobicContact CG-CG2 4.35Å; L41-L86 HydrophobicContact CD1-CD1 3.86Å; L41-L86 HydrophobicContact CD1-CD2 3.94Å; L41-L86 HydrophobicContact CD1-CG 4.16Å; L41-L86 HydrophobicContact CG-CD2 4.15Å; L41-W109 CarbonylContact C-O 3.6Å; L41-W109 WeakPolarHBondContact CA-O 3.4Å; L41-W109 HydrophobicContact CD2-CB 4.13Å; L41-I111 HydrophobicContact CD2-CD1 3.35Å; L41-I111 HydrophobicContact CD2-CG1 3.4Å | ||
| 42 | A | 79.9 | Confident | 76.8 | Confident | 49 Ų | 49 | 65.2 Ų | 65.2 | 41% | 0.405 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -56.1 | -31.5 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | R46 W109 | A42-R46 WeakPolarHBondContact O-CG 3.44Å; A42-R46 PolarHBondContact O-N 3.09Å; A42-W109 PolarHBondContact N-O 3.48Å |
| 43 | R | 84.4 | Confident | 76.4 | Confident | 73 Ų | 73 | 68.3 Ų | 68.3 | 28% | 0.275 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -68.8 | -40 | 176.4 | -172.9 | 175.9 | -68.6 | -126.5 | 1 | 113 | L41 R46 V59 Y108 | L41-R43 PolarHBondContact O-N 3.42Å; L41-R43 VanDerWaalsContact O-N 3.09Å; R43-R46 WeakPolarHBondContact O-CB 3.45Å; R43-R46 PolarHBondContact O-N 3.14Å; R43-V59 HydrophobicContact CG-CG1 4.06Å; R43-V59 WeakPolarHBondContact O-CG1 3.41Å; R43-Y108 VanDerWaalsContact CZ-CD2 3.45Å; R43-Y108 VanDerWaalsContact CZ-CZ 3.48Å; R43-Y108 PolarHBondContact NE-O 2.83Å; R43-Y108 PolarHBondContact NH1-OH 3.43Å; R43-Y108 PolarHBondContact NH2-O 3.37Å |
| 44 | L | 82.9 | Confident | 76 | Confident | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -75.3 | -29.5 | 179.5 | -67.6 | -178.1 | 0 | 0 | 0 | 112.4 | I22 L31 L36 L41 R46 L47 F72 W109 | I22-L44 HydrophobicContact CD1-CD1 3.56Å; I22-L44 HydrophobicContact CD1-CD2 3.66Å; I22-L44 HydrophobicContact CD1-CG 4.2Å; I22-L44 HydrophobicContact CG2-CD2 4.44Å; L31-L44 HydrophobicContact CD1-CD1 4.46Å; L36-L44 HydrophobicContact CD2-CB 4.31Å; L41-L44 HydrophobicContact CB-CB 4.13Å; L41-L44 HydrophobicContact CB-CD1 4.06Å; L41-L44 HydrophobicContact CB-CG 4.14Å; L41-L44 HydrophobicContact CD1-CD1 3.46Å; L41-L44 VanDerWaalsContact CD1-CD1 3.46Å; L41-L44 HydrophobicContact CD1-CG 4.36Å; L41-L44 HydrophobicContact CG-CD1 4.35Å; L41-L44 PolarHBondContact O-N 3.12Å; L44-R46 PolarHBondContact O-N 2.83Å; L44-L47 HydrophobicContact CD2-CD1 3.76Å; L44-L47 WeakPolarHBondContact O-CB 3.38Å; L44-L47 PolarHBondContact O-N 3.38Å; L44-F72 HydrophobicContact CD2-CE2 4.18Å; L44-F72 HydrophobicContact CD2-CZ 3.84Å; L44-W109 HydrophobicContact CD1-CZ3 4.4Å; L44-W109 HydrophobicContact CD2-CE3 4.48Å; L44-W109 HydrophobicContact CD2-CZ3 3.77Å; L44-W109 HydrophobicContact CG-CE3 4.21Å; L44-W109 HydrophobicContact CG-CZ3 3.97Å |
| 45 | E | 81.1 | Confident | 76 | Confident | 102 Ų | 102 | 71.8 Ų | 71.8 | 48% | 0.477 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.4 | -38.8 | 171.7 | -172.3 | -175.3 | 173.3 | 0 | 0 | 111.3 | L41 L47 R48 | L41-E45 PolarHBondContact O-N 3.36Å; L41-E45 VanDerWaalsContact O-N 3.11Å; E45-L47 PolarHBondContact O-N 3.32Å; E45-R48 WeakPolarHBondContact O-CB 3.21Å; E45-R48 PolarHBondContact O-N 3.14Å; E45-R48 VanDerWaalsContact O-N 3.12Å |
| 46 | R | 81.7 | Confident | 76.3 | Confident | 146 Ų | 146 | 70.7 Ų | 70.7 | 55% | 0.551 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -61.2 | -25.1 | 179 | -73 | 177.1 | 57.4 | 179 | -6.1 | 114 | A42 R43 L44 R48 A49 C50 V59 | A42-R46 WeakPolarHBondContact O-CG 3.44Å; A42-R46 PolarHBondContact O-N 3.09Å; R43-R46 WeakPolarHBondContact O-CB 3.45Å; R43-R46 PolarHBondContact O-N 3.14Å; L44-R46 PolarHBondContact O-N 2.83Å; R46-R48 PolarHBondContact O-N 2.72Å; R46-R48 VanDerWaalsContact O-N 3.17Å; R46-A49 WeakPolarHBondContact O-CB 3.35Å; R46-A49 PolarHBondContact O-N 2.87Å; R46-C50 PolarHBondContact O-N 2.97Å; R46-C50 PolarHBondContact O-SG 2.88Å; R46-C50 VanDerWaalsContact O-SG 3.37Å; R46-V59 HydrophobicContact CB-CG1 4.39Å; R46-V59 HydrophobicContact CB-CG2 4.23Å |
| 47 | L | 80.6 | Confident | 76.4 | Confident | 7 Ų | 7 | 74.3 Ų | 74.3 | 4% | 0.037 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -29.9 | 176.2 | -69.4 | 171 | 0 | 0 | 0 | 112.2 | L44 E45 A49 L56 V59 F70 F72 | L44-L47 HydrophobicContact CD2-CD1 3.76Å; L44-L47 WeakPolarHBondContact O-CB 3.38Å; L44-L47 PolarHBondContact O-N 3.38Å; E45-L47 PolarHBondContact O-N 3.32Å; L47-A49 VanDerWaalsContact C-N 3.3Å; L47-A49 PolarHBondContact O-N 3.3Å; L47-L56 HydrophobicContact CD2-CD1 4.03Å; L47-V59 HydrophobicContact CD2-CB 3.99Å; L47-V59 HydrophobicContact CD2-CG1 3.53Å; L47-V59 HydrophobicContact CG-CG1 3.84Å; L47-F70 HydrophobicContact CD2-CD1 4.19Å; L47-F70 HydrophobicContact CD2-CE1 4.46Å; L47-F72 HydrophobicContact CD1-CZ 4.37Å |
| 48 | R | 75.6 | Confident | 76.8 | Confident | 144 Ų | 144 | 81.4 Ų | 81.4 | 54% | 0.543 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -26.5 | 177.7 | -172.3 | -179.2 | 172.6 | -165.9 | -0.6 | 112.9 | W33 E45 R46 | W33-R48 HydrophobicContact CZ2-CG 4.44Å; E45-R48 WeakPolarHBondContact O-CB 3.21Å; E45-R48 PolarHBondContact O-N 3.14Å; E45-R48 VanDerWaalsContact O-N 3.12Å; R46-R48 PolarHBondContact O-N 2.72Å; R46-R48 VanDerWaalsContact O-N 3.17Å |
| 49 | A | 73.8 | Confident | 77.4 | Confident | 69 Ų | 69 | 70.8 Ų | 70.8 | 57% | 0.57 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -18.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | R46 L47 R51 | R46-A49 WeakPolarHBondContact O-CB 3.35Å; R46-A49 PolarHBondContact O-N 2.87Å; L47-A49 VanDerWaalsContact C-N 3.3Å; L47-A49 PolarHBondContact O-N 3.3Å; A49-R51 PolarHBondContact O-N 2.96Å |
| 50 | C | 78.4 | Confident | 78 | Confident | 14 Ų | 14 | 70.2 Ų | 70.2 | 10% | 0.095 | 34% | 0.337 | C | S | . | . | trans | -67.8 | 127.3 | 179.8 | -61 | 0 | 0 | 0 | 0 | 110.9 | R46 E55 L56 | R46-C50 PolarHBondContact O-N 2.97Å; R46-C50 PolarHBondContact O-SG 2.88Å; R46-C50 VanDerWaalsContact O-SG 3.37Å; C50-E55 HydrophobicContact CB-CB 4.18Å; C50-E55 PolarHBondContact SG-O 3.18Å; C50-E55 VanDerWaalsContact SG-O 3.35Å; C50-L56 HydrophobicContact CB-CD1 4.24Å | ||
| 51 | R | 71.5 | Confident | 78.7 | Confident | 187 Ų | 187 | 72.1 Ų | 72.1 | 71% | 0.706 | 34% | 0.344 | S | S | * | . | trans | -115.3 | -8.9 | 179.4 | -63.7 | -173.9 | 179.5 | -158.2 | 0.4 | 113.7 | A49 E55 | A49-R51 PolarHBondContact O-N 2.96Å; R51-E55 PolarHBondContact N-OE2 2.9Å | ||
| 52 | G | 72.8 | Confident | 78.8 | Confident | 29 Ų | 29 | 76.4 Ų | 76.4 | 30% | 0.299 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -141.6 | 163.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | D54 E55 L56 | G52-D54 VanDerWaalsContact C-N 3.33Å; G52-D54 PolarHBondContact O-N 3.13Å; G52-E55 PolarHBondContact O-N 3.13Å; G52-L56 PolarHBondContact O-N 3.4Å; G52-L56 VanDerWaalsContact O-N 3.13Å |
| 53 | H | 72.8 | Confident | 79 | Confident | 95 Ų | 95 | 75.1 Ų | 75.1 | 44% | 0.44 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.4 | -39.5 | -177.3 | -170.3 | 72.8 | 0 | 0 | 0 | 112.5 | E55 L56 L57 | H53-E55 VanDerWaalsContact C-N 3.32Å; H53-E55 PolarHBondContact O-N 3.1Å; H53-L56 VanDerWaalsContact O-CB 3.29Å; H53-L56 WeakPolarHBondContact O-CB 3.4Å; H53-L56 PolarHBondContact O-N 3.38Å; H53-L56 VanDerWaalsContact O-N 3.1Å; H53-L57 PolarHBondContact O-N 3.04Å |
| 54 | D | 73.1 | Confident | 79 | Confident | 124 Ų | 124 | 73.8 Ų | 73.8 | 66% | 0.663 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -65.5 | -32.5 | 177.1 | -67.8 | -19.2 | 0 | 0 | 0 | 113.4 | G52 L56 R58 | G52-D54 VanDerWaalsContact C-N 3.33Å; G52-D54 PolarHBondContact O-N 3.13Å; D54-L56 VanDerWaalsContact C-N 3.32Å; D54-R58 WeakPolarHBondContact O-CG 3.43Å |
| 55 | E | 77 | Confident | 78.8 | Confident | 90 Ų | 90 | 79.2 Ų | 79.2 | 42% | 0.421 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -75.6 | -27.3 | 175.1 | -65.5 | -178 | 160.1 | 0 | 0 | 111.7 | C50 R51 G52 H53 | C50-E55 HydrophobicContact CB-CB 4.18Å; C50-E55 PolarHBondContact SG-O 3.18Å; C50-E55 VanDerWaalsContact SG-O 3.35Å; R51-E55 PolarHBondContact N-OE2 2.9Å; G52-E55 PolarHBondContact O-N 3.13Å; H53-E55 VanDerWaalsContact C-N 3.32Å; H53-E55 PolarHBondContact O-N 3.1Å |
| 56 | L | 79.6 | Confident | 78.7 | Confident | 21 Ų | 21 | 79.3 Ų | 79.3 | 11% | 0.11 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -71.7 | -46.3 | 178.2 | -166.6 | 74.7 | 0 | 0 | 0 | 111.1 | L47 C50 G52 H53 D54 R58 V59 C60 Y63 F70 | L47-L56 HydrophobicContact CD2-CD1 4.03Å; C50-L56 HydrophobicContact CB-CD1 4.24Å; G52-L56 PolarHBondContact O-N 3.4Å; G52-L56 VanDerWaalsContact O-N 3.13Å; H53-L56 VanDerWaalsContact O-CB 3.29Å; H53-L56 WeakPolarHBondContact O-CB 3.4Å; H53-L56 PolarHBondContact O-N 3.38Å; H53-L56 VanDerWaalsContact O-N 3.1Å; D54-L56 VanDerWaalsContact C-N 3.32Å; L56-R58 PolarHBondContact O-N 3.39Å; L56-R58 VanDerWaalsContact O-N 3.13Å; L56-V59 PolarHBondContact O-N 2.92Å; L56-C60 PolarHBondContact O-N 3.3Å; L56-C60 PolarHBondContact O-SG 3.25Å; L56-C60 VanDerWaalsContact O-SG 3.35Å; L56-Y63 HydrophobicContact CD2-CD1 4.01Å; L56-Y63 HydrophobicContact CD2-CD2 4.35Å; L56-Y63 HydrophobicContact CD2-CG 3.74Å; L56-F70 HydrophobicContact CD1-CD1 3.98Å; L56-F70 HydrophobicContact CD1-CE1 3.37Å; L56-F70 HydrophobicContact CD1-CZ 4.33Å; L56-F70 HydrophobicContact CD2-CD1 4.31Å; L56-F70 HydrophobicContact CD2-CE1 3.81Å; L56-F70 HydrophobicContact CG-CD1 4.36Å; L56-F70 HydrophobicContact CG-CE1 4Å |
| 57 | L | 78.4 | Confident | 78.5 | Confident | 77 Ų | 77 | 79.3 Ų | 79.3 | 40% | 0.403 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -13.5 | 175.6 | -67.5 | 174.2 | 0 | 0 | 0 | 113.6 | H53 V59 C60 | H53-L57 PolarHBondContact O-N 3.04Å; L57-V59 VanDerWaalsContact C-N 3.32Å; L57-C60 CarbonylContact C-O 3.58Å; L57-C60 WeakPolarHBondContact CA-O 3.28Å |
| 58 | R | 78.9 | Confident | 78.6 | Confident | 194 Ų | 194 | 82.2 Ų | 82.2 | 73% | 0.732 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -13.3 | 170.1 | -72.3 | 175.4 | 179.3 | -176.2 | 0.4 | 113.4 | D54 L56 | D54-R58 WeakPolarHBondContact O-CG 3.43Å; L56-R58 PolarHBondContact O-N 3.39Å; L56-R58 VanDerWaalsContact O-N 3.13Å |
| 59 | V | 80.3 | Confident | 79.2 | Confident | 5 Ų | 5 | 76 Ų | 76 | 3% | 0.03 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.3 | -45.5 | -175.1 | -177.5 | 0 | 0 | 0 | 0 | 111.1 | R43 R46 L47 L56 L57 F72 | R43-V59 HydrophobicContact CG-CG1 4.06Å; R43-V59 WeakPolarHBondContact O-CG1 3.41Å; R46-V59 HydrophobicContact CB-CG1 4.39Å; R46-V59 HydrophobicContact CB-CG2 4.23Å; L47-V59 HydrophobicContact CD2-CB 3.99Å; L47-V59 HydrophobicContact CD2-CG1 3.53Å; L47-V59 HydrophobicContact CG-CG1 3.84Å; L56-V59 PolarHBondContact O-N 2.92Å; L57-V59 VanDerWaalsContact C-N 3.32Å; V59-F72 VanDerWaalsContact O-CE1 3.25Å; V59-F72 WeakPolarHBondContact O-CE1 3.4Å |
| 60 | C | 84.1 | Confident | 79.9 | Confident | 1 Ų | 1 | 73 Ų | 73 | 1% | 0.007 | 36% | 0.362 | C | S | . | . | trans | -113.3 | 159.5 | 174.1 | 64 | 0 | 0 | 0 | 0 | 111.4 | L56 L57 F70 F72 | L56-C60 PolarHBondContact O-N 3.3Å; L56-C60 PolarHBondContact O-SG 3.25Å; L56-C60 VanDerWaalsContact O-SG 3.35Å; L57-C60 CarbonylContact C-O 3.58Å; L57-C60 WeakPolarHBondContact CA-O 3.28Å; C60-F70 HydrophobicContact CB-CB 4.45Å; C60-F72 HydrophobicContact CB-CD1 4.36Å; C60-F72 HydrophobicContact CB-CE1 3.87Å; C60-F72 HydrophobicContact CB-CE2 4.08Å; C60-F72 HydrophobicContact CB-CZ 3.7Å | ||
| 61 | D | 84.3 | Confident | 80.4 | Confident | 87 Ų | 87 | 75.3 Ų | 75.3 | 47% | 0.465 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -81.7 | -32 | -177.2 | -59 | -55.8 | 0 | 0 | 0 | 111.6 | F71 F72 D73 | D61-F71 PolarHBondContact N-O 3.37Å; D61-F72 WeakPolarHBondContact OD2-CA 3.39Å; D61-D73 PolarHBondContact OD2-N 2.84Å |
| 62 | D | 84 | Confident | 81.3 | Confident | 90 Ų | 90 | 66.4 Ų | 66.4 | 48% | 0.481 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 159.8 | 174.4 | -164.3 | 8.7 | 0 | 0 | 0 | 111.4 | F71 | D62-F71 HydrophobicContact CB-CB 4.1Å; D62-F71 HydrophobicContact CB-CD1 4.26Å; D62-F71 PolarHBondContact N-O 2.7Å; D62-F71 PolarHBondContact O-N 3.48Å |
| 63 | Y | 84 | Confident | 82.1 | Confident | 22 Ų | 22 | 70.7 Ų | 70.7 | 9% | 0.086 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 111.8 | 174 | 175 | -110.4 | 0 | 0 | 0 | 110.7 | P5 L56 V65 D68 E69 F70 | P5-Y63 HydrophobicContact CB-CE1 4.5Å; P5-Y63 VanDerWaalsContact CB-OH 3.29Å; P5-Y63 WeakPolarHBondContact CB-OH 3.42Å; P5-Y63 WeakPolarHBondContact CG-OH 3.29Å; L56-Y63 HydrophobicContact CD2-CD1 4.01Å; L56-Y63 HydrophobicContact CD2-CD2 4.35Å; L56-Y63 HydrophobicContact CD2-CG 3.74Å; Y63-V65 HydrophobicContact CD1-CG2 4Å; Y63-V65 HydrophobicContact CE1-CG2 3.94Å; Y63-V65 PolarHBondContact O-N 2.83Å; Y63-D68 PolarHBondContact OH-OD1 2.91Å; Y63-E69 WeakPolarHBondContact CD2-O 3.5Å; Y63-F70 AromaticContact CD2-CD1 3.47Å; Y63-F70 HydrophobicContact CD2-CD1 3.47Å; Y63-F70 VanDerWaalsContact CD2-CD1 3.47Å; Y63-F70 HydrophobicContact CD2-CD2 4.35Å; Y63-F70 AromaticContact CD2-CE1 3.37Å; Y63-F70 HydrophobicContact CD2-CE1 3.37Å; Y63-F70 HydrophobicContact CD2-CE2 4.3Å; Y63-F70 AromaticContact CD2-CG 3.98Å; Y63-F70 HydrophobicContact CD2-CG 3.98Å; Y63-F70 AromaticContact CD2-CZ 3.85Å; Y63-F70 HydrophobicContact CD2-CZ 3.85Å; Y63-F70 HydrophobicContact CE2-CD1 4.11Å; Y63-F70 HydrophobicContact CE2-CD2 4.37Å; Y63-F70 AromaticContact CE2-CE1 3.66Å; Y63-F70 HydrophobicContact CE2-CE1 3.66Å; Y63-F70 AromaticContact CE2-CE2 3.98Å; Y63-F70 HydrophobicContact CE2-CE2 3.98Å; Y63-F70 HydrophobicContact CE2-CG 4.44Å; Y63-F70 AromaticContact CE2-CZ 3.61Å; Y63-F70 HydrophobicContact CE2-CZ 3.61Å; Y63-F70 HydrophobicContact CG-CD1 4.26Å; Y63-F70 HydrophobicContact CG-CE1 4.13Å |
| 64 | D | 83.3 | Confident | 82.8 | Confident | 45 Ų | 45 | 70.1 Ų | 70.1 | 24% | 0.241 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 104 | 178.5 | -177.3 | -6.3 | 0 | 0 | 0 | 109.9 | S66 R67 D68 E69 | D64-S66 PolarHBondContact O-N 3.07Å; D64-S66 WeakPolarHBondContact OD1-CB 3.26Å; D64-S66 PolarHBondContact OD1-N 2.58Å; D64-S66 PolarHBondContact OD1-OG 3.11Å; D64-S66 PolarHBondContact OD2-OG 3.22Å; D64-R67 HydrophobicContact CB-CB 4.45Å; D64-R67 PolarHBondContact O-N 3.48Å; D64-R67 PolarHBondContact OD1-N 2.64Å; D64-R67 VanDerWaalsContact OD2-CD 3.31Å; D64-R67 WeakPolarHBondContact OD2-CD 3.23Å; D64-R67 WeakPolarHBondContact OD2-CG 3.18Å; D64-D68 WeakPolarHBondContact O-CA 3.42Å; D64-D68 PolarHBondContact O-N 3.3Å; D64-E69 HydrophobicContact CB-CG 3.88Å; D64-E69 PolarHBondContact N-O 3.08Å; D64-E69 PolarHBondContact O-N 3.24Å |
| 65 | V | 79.9 | Confident | 83.4 | Confident | 115 Ų | 115 | 66.3 Ų | 66.3 | 70% | 0.697 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -30.7 | 178.8 | -174 | 0 | 0 | 0 | 0 | 111.9 | Y63 R67 | Y63-V65 HydrophobicContact CD1-CG2 4Å; Y63-V65 HydrophobicContact CE1-CG2 3.94Å; Y63-V65 PolarHBondContact O-N 2.83Å; V65-R67 VanDerWaalsContact C-N 3.33Å |
| 66 | S | 78.7 | Confident | 83.8 | Confident | 104 Ų | 104 | 64.1 Ų | 64.1 | 73% | 0.727 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -28.6 | -177.3 | 74.7 | 0 | 0 | 0 | 0 | 112.5 | D64 | D64-S66 PolarHBondContact O-N 3.07Å; D64-S66 WeakPolarHBondContact OD1-CB 3.26Å; D64-S66 PolarHBondContact OD1-N 2.58Å; D64-S66 PolarHBondContact OD1-OG 3.11Å; D64-S66 PolarHBondContact OD2-OG 3.22Å |
| 67 | R | 77.3 | Confident | 83.9 | Confident | 146 Ų | 146 | 66.4 Ų | 66.4 | 55% | 0.551 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.1 | -3.9 | -177.9 | -67.9 | -177.6 | 177.4 | 171.7 | 0.3 | 113.9 | D64 V65 E69 | D64-R67 HydrophobicContact CB-CB 4.45Å; D64-R67 PolarHBondContact O-N 3.48Å; D64-R67 PolarHBondContact OD1-N 2.64Å; D64-R67 VanDerWaalsContact OD2-CD 3.31Å; D64-R67 WeakPolarHBondContact OD2-CD 3.23Å; D64-R67 WeakPolarHBondContact OD2-CG 3.18Å; V65-R67 VanDerWaalsContact C-N 3.33Å; R67-E69 HydrophobicContact CB-CB 4.48Å; R67-E69 HydrophobicContact CB-CG 3.95Å; R67-E69 PolarHBondContact O-N 2.89Å |
| 68 | D | 82.9 | Confident | 84.1 | Confident | 67 Ų | 67 | 62.9 Ų | 62.9 | 36% | 0.358 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.6 | 45.1 | -172.6 | -167.1 | 29.5 | 0 | 0 | 0 | 111.6 | Y63 D64 | Y63-D68 PolarHBondContact OH-OD1 2.91Å; D64-D68 WeakPolarHBondContact O-CA 3.42Å; D64-D68 PolarHBondContact O-N 3.3Å |
| 69 | E | 87.1 | Confident | 84.4 | Confident | 15 Ų | 15 | 53.7 Ų | 53.7 | 7% | 0.07 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 131.9 | -179.2 | 71.4 | 174.3 | -154.1 | 0 | 0 | 112.7 | I21 N23 R28 Y63 D64 R67 | I21-E69 HydrophobicContact CB-CB 3.97Å; I21-E69 HydrophobicContact CG2-CB 3.78Å; I21-E69 WeakPolarHBondContact O-CA 3.32Å; N23-E69 PolarHBondContact ND2-OE1 3.42Å; R28-E69 IonicContact CZ-OE2 3.76Å; R28-E69 IonicContact NE-OE2 3.56Å; R28-E69 PolarHBondContact NE-OE2 2.87Å; R28-E69 IonicContact NH2-OE1 3.42Å; R28-E69 IonicContact NH2-OE2 3.53Å; R28-E69 PolarHBondContact NH2-OE2 3.44Å; Y63-E69 WeakPolarHBondContact CD2-O 3.5Å; D64-E69 HydrophobicContact CB-CG 3.88Å; D64-E69 PolarHBondContact N-O 3.08Å; D64-E69 PolarHBondContact O-N 3.24Å; R67-E69 HydrophobicContact CB-CB 4.48Å; R67-E69 HydrophobicContact CB-CG 3.95Å; R67-E69 PolarHBondContact O-N 2.89Å |
| 70 | F | 88.7 | Confident | 84.6 | Confident | 6 Ų | 6 | 61.1 Ų | 61.1 | 3% | 0.026 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 121.4 | 171.2 | -61.4 | -83.9 | 0 | 0 | 0 | 109.3 | V20 I21 N23 L47 L56 C60 Y63 F72 | V20-F70 HydrophobicContact CG1-CD2 3.4Å; V20-F70 VanDerWaalsContact CG1-CD2 3.4Å; V20-F70 HydrophobicContact CG1-CE2 3.46Å; V20-F70 VanDerWaalsContact CG1-CE2 3.46Å; I21-F70 PolarHBondContact O-N 3.47Å; N23-F70 PolarHBondContact N-O 3.49Å; L47-F70 HydrophobicContact CD2-CD1 4.19Å; L47-F70 HydrophobicContact CD2-CE1 4.46Å; L56-F70 HydrophobicContact CD1-CD1 3.98Å; L56-F70 HydrophobicContact CD1-CE1 3.37Å; L56-F70 HydrophobicContact CD1-CZ 4.33Å; L56-F70 HydrophobicContact CD2-CD1 4.31Å; L56-F70 HydrophobicContact CD2-CE1 3.81Å; L56-F70 HydrophobicContact CG-CD1 4.36Å; L56-F70 HydrophobicContact CG-CE1 4Å; C60-F70 HydrophobicContact CB-CB 4.45Å; Y63-F70 AromaticContact CD2-CD1 3.47Å; Y63-F70 HydrophobicContact CD2-CD1 3.47Å; Y63-F70 VanDerWaalsContact CD2-CD1 3.47Å; Y63-F70 HydrophobicContact CD2-CD2 4.35Å; Y63-F70 AromaticContact CD2-CE1 3.37Å; Y63-F70 HydrophobicContact CD2-CE1 3.37Å; Y63-F70 HydrophobicContact CD2-CE2 4.3Å; Y63-F70 AromaticContact CD2-CG 3.98Å; Y63-F70 HydrophobicContact CD2-CG 3.98Å; Y63-F70 AromaticContact CD2-CZ 3.85Å; Y63-F70 HydrophobicContact CD2-CZ 3.85Å; Y63-F70 HydrophobicContact CE2-CD1 4.11Å; Y63-F70 HydrophobicContact CE2-CD2 4.37Å; Y63-F70 AromaticContact CE2-CE1 3.66Å; Y63-F70 HydrophobicContact CE2-CE1 3.66Å; Y63-F70 AromaticContact CE2-CE2 3.98Å; Y63-F70 HydrophobicContact CE2-CE2 3.98Å; Y63-F70 HydrophobicContact CE2-CG 4.44Å; Y63-F70 AromaticContact CE2-CZ 3.61Å; Y63-F70 HydrophobicContact CE2-CZ 3.61Å; Y63-F70 HydrophobicContact CG-CD1 4.26Å; Y63-F70 HydrophobicContact CG-CE1 4.13Å; F70-F72 HydrophobicContact CB-CE2 3.99Å |
| 71 | F | 89.4 | Confident | 84.3 | Confident | 61 Ų | 61 | 61.1 Ų | 61.1 | 27% | 0.268 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 138.3 | -177.6 | -176.1 | -102.2 | 0 | 0 | 0 | 112.2 | N23 D61 D62 D73 | N23-F71 HydrophobicContact CB-CD2 4.14Å; N23-F71 CarbonylContact O-C 3.57Å; N23-F71 VanDerWaalsContact O-CA 3.32Å; N23-F71 WeakPolarHBondContact O-CA 3.31Å; D61-F71 PolarHBondContact N-O 3.37Å; D62-F71 HydrophobicContact CB-CB 4.1Å; D62-F71 HydrophobicContact CB-CD1 4.26Å; D62-F71 PolarHBondContact N-O 2.7Å; D62-F71 PolarHBondContact O-N 3.48Å; F71-D73 HydrophobicContact CE1-CB 3.99Å |
| 72 | F | 90.7 | Very high | 84.2 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 121.5 | 175.6 | -61.8 | -97.7 | 0 | 0 | 0 | 109.4 | I22 N23 V24 G25 L44 L47 V59 C60 D61 F70 R74 Y108 W109 | I22-F72 HydrophobicContact CG2-CD2 3.9Å; I22-F72 HydrophobicContact CG2-CE2 3.78Å; N23-F72 PolarHBondContact O-N 2.94Å; V24-F72 CarbonylContact C-O 3.53Å; V24-F72 WeakPolarHBondContact CA-O 3.4Å; V24-F72 HydrophobicContact CB-CB 4.45Å; V24-F72 HydrophobicContact CG1-CB 4.24Å; V24-F72 HydrophobicContact CG2-CB 4.08Å; V24-F72 HydrophobicContact CG2-CD2 4.21Å; V24-F72 HydrophobicContact CG2-CG 4.41Å; G25-F72 PolarHBondContact N-O 3.34Å; L44-F72 HydrophobicContact CD2-CE2 4.18Å; L44-F72 HydrophobicContact CD2-CZ 3.84Å; L47-F72 HydrophobicContact CD1-CZ 4.37Å; V59-F72 VanDerWaalsContact O-CE1 3.25Å; V59-F72 WeakPolarHBondContact O-CE1 3.4Å; C60-F72 HydrophobicContact CB-CD1 4.36Å; C60-F72 HydrophobicContact CB-CE1 3.87Å; C60-F72 HydrophobicContact CB-CE2 4.08Å; C60-F72 HydrophobicContact CB-CZ 3.7Å; D61-F72 WeakPolarHBondContact OD2-CA 3.39Å; F70-F72 HydrophobicContact CB-CE2 3.99Å; F72-R74 VanDerWaalsContact C-N 3.25Å; F72-R74 HydrophobicContact CB-CG 4.37Å; F72-R74 PolarHBondContact O-N 3.48Å; F72-Y108 HydrophobicContact CD1-CE1 4.35Å; F72-Y108 WeakPolarHBondContact CD1-OH 3.39Å; F72-W109 HydrophobicContact CB-CH2 4.17Å; F72-W109 AromaticContact CD1-CH2 3.83Å; F72-W109 HydrophobicContact CD1-CH2 3.83Å; F72-W109 HydrophobicContact CD1-CZ3 4.27Å; F72-W109 HydrophobicContact CD2-CH2 4.16Å; F72-W109 HydrophobicContact CE1-CH2 4.2Å; F72-W109 HydrophobicContact CE1-CZ3 4.19Å; F72-W109 AromaticContact CG-CH2 3.79Å; F72-W109 HydrophobicContact CG-CH2 3.79Å; F72-W109 HydrophobicContact CZ-CZ3 4.44Å |
| 73 | D | 88.7 | Confident | 84 | Confident | 119 Ų | 119 | 53 Ų | 53 | 64% | 0.636 | 27% | 0.272 | S | S | * | . | trans | -82.9 | 68.9 | 179 | -169.1 | 20.3 | 0 | 0 | 0 | 110.8 | D61 F71 | D61-D73 PolarHBondContact OD2-N 2.84Å; F71-D73 HydrophobicContact CE1-CB 3.99Å | ||
| 74 | R | 88.6 | Confident | 83.7 | Confident | 83 Ų | 83 | 53.9 Ų | 53.9 | 31% | 0.313 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -134.3 | 169.9 | -176.9 | -51.7 | -64.9 | -85.6 | -172.5 | -4.1 | 111.5 | V24 F72 P76 E105 Y108 | V24-R74 HydrophobicContact CG1-CB 3.78Å; F72-R74 VanDerWaalsContact C-N 3.25Å; F72-R74 HydrophobicContact CB-CG 4.37Å; F72-R74 PolarHBondContact O-N 3.48Å; R74-P76 VanDerWaalsContact O-CD 3.28Å; R74-P76 WeakPolarHBondContact O-CD 3.48Å; R74-E105 IonicContact NE-OE1 3.24Å; R74-E105 IonicContact NE-OE2 3.34Å; R74-Y108 HydrophobicContact CG-CD1 4.41Å; R74-Y108 HydrophobicContact CG-CE1 3.85Å; R74-Y108 HydrophobicContact CG-CE2 4.38Å |
| 75 | S | 84.8 | Confident | 83.2 | Confident | 45 Ų | 45 | 51.8 Ų | 51.8 | 32% | 0.315 | 27% | 0.273 | S | S | . | . | trans | -64.4 | 117.3 | -174.2 | -176.8 | 0 | 0 | 0 | 0 | 112.4 | C77 A78 F79 | S75-C77 PolarHBondContact O-N 3.23Å; S75-A78 PolarHBondContact O-N 3.33Å; S75-F79 PolarHBondContact O-N 3.04Å | ||
| 76 | P | 86.4 | Confident | 82.8 | Confident | 43 Ų | 43 | 48.7 Ų | 48.7 | 28% | 0.279 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -65.5 | -30.5 | 177.9 | 25.5 | -33.6 | 0 | 0 | 0 | 111.6 | C27 R74 F79 R80 | C27-P76 HydrophobicContact CB-CB 3.92Å; R74-P76 VanDerWaalsContact O-CD 3.28Å; R74-P76 WeakPolarHBondContact O-CD 3.48Å; P76-F79 PolarHBondContact O-N 2.7Å; P76-R80 VanDerWaalsContact O-CG 3.3Å; P76-R80 WeakPolarHBondContact O-CG 3.46Å; P76-R80 PolarHBondContact O-N 3.19Å |
| 77 | C | 81.4 | Confident | 82.6 | Confident | 70 Ų | 70 | 52.1 Ų | 52.1 | 47% | 0.473 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -66.8 | -42 | 177.8 | -64.9 | 0 | 0 | 0 | 0 | 112.4 | S75 | S75-C77 PolarHBondContact O-N 3.23Å |
| 78 | A | 82 | Confident | 82.3 | Confident | 2 Ų | 2 | 48.7 Ų | 48.7 | 2% | 0.017 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -69.4 | -41.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | S75 R80 A81 I82 F102 E105 | S75-A78 PolarHBondContact O-N 3.33Å; A78-R80 VanDerWaalsContact C-N 3.31Å; A78-R80 PolarHBondContact O-N 2.85Å; A78-A81 VanDerWaalsContact O-CB 3.31Å; A78-A81 WeakPolarHBondContact O-CB 3.45Å; A78-A81 PolarHBondContact O-N 3.32Å; A78-I82 PolarHBondContact O-N 3.43Å; A78-F102 HydrophobicContact CB-CD2 3.97Å; A78-F102 HydrophobicContact CB-CE2 4.33Å; A78-E105 HydrophobicContact CB-CB 4.06Å; A78-E105 HydrophobicContact CB-CG 3.64Å |
| 79 | F | 85.8 | Confident | 81.5 | Confident | 2 Ų | 2 | 48.2 Ų | 48.2 | 1% | 0.009 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.8 | -36.8 | 178.6 | -168.3 | -115 | 0 | 0 | 0 | 112.7 | I22 V24 C27 V29 S75 P76 A81 I82 V83 W109 | I22-F79 HydrophobicContact CG2-CZ 4.02Å; V24-F79 HydrophobicContact CB-CB 4.04Å; V24-F79 HydrophobicContact CB-CD1 3.58Å; V24-F79 HydrophobicContact CB-CD2 4.19Å; V24-F79 HydrophobicContact CB-CE1 4Å; V24-F79 HydrophobicContact CB-CG 3.67Å; V24-F79 HydrophobicContact CB-CZ 4.49Å; V24-F79 HydrophobicContact CG1-CB 3.84Å; V24-F79 HydrophobicContact CG1-CD1 4.31Å; V24-F79 HydrophobicContact CG1-CD2 4.25Å; V24-F79 HydrophobicContact CG1-CG 3.89Å; V24-F79 HydrophobicContact CG2-CB 4.48Å; V24-F79 HydrophobicContact CG2-CD1 3.49Å; V24-F79 VanDerWaalsContact CG2-CD1 3.49Å; V24-F79 HydrophobicContact CG2-CD2 3.71Å; V24-F79 HydrophobicContact CG2-CE1 3.41Å; V24-F79 VanDerWaalsContact CG2-CE1 3.41Å; V24-F79 HydrophobicContact CG2-CE2 3.65Å; V24-F79 HydrophobicContact CG2-CG 3.63Å; V24-F79 HydrophobicContact CG2-CZ 3.5Å; V24-F79 VanDerWaalsContact CG2-CZ 3.5Å; C27-F79 HydrophobicContact CB-CD1 4.3Å; V29-F79 HydrophobicContact CB-CE1 4.33Å; V29-F79 HydrophobicContact CG2-CD1 4.44Å; V29-F79 HydrophobicContact CG2-CE1 3.67Å; V29-F79 HydrophobicContact CG2-CZ 4.49Å; S75-F79 PolarHBondContact O-N 3.04Å; P76-F79 PolarHBondContact O-N 2.7Å; F79-A81 PolarHBondContact O-N 2.52Å; F79-I82 HydrophobicContact CD2-CB 4.46Å; F79-I82 CarbonylContact O-C 3.54Å; F79-I82 WeakPolarHBondContact O-CA 3.24Å; F79-I82 WeakPolarHBondContact O-CB 3.39Å; F79-I82 PolarHBondContact O-N 2.9Å; F79-V83 HydrophobicContact CD1-CG2 3.77Å; F79-V83 HydrophobicContact CE1-CG2 3.57Å; F79-V83 HydrophobicContact CE2-CG2 4.46Å; F79-V83 HydrophobicContact CG-CG2 4.32Å; F79-V83 HydrophobicContact CZ-CG2 3.95Å; F79-V83 VanDerWaalsContact O-CG2 3.25Å; F79-V83 WeakPolarHBondContact O-CG2 3.3Å; F79-V83 PolarHBondContact O-N 2.99Å; F79-W109 HydrophobicContact CD2-CD2 4.45Å; F79-W109 AromaticContact CD2-CE2 3.8Å; F79-W109 HydrophobicContact CD2-CH2 4.1Å; F79-W109 AromaticContact CD2-CZ2 3.61Å; F79-W109 HydrophobicContact CD2-CZ2 3.61Å; F79-W109 HydrophobicContact CE2-CD2 4.42Å; F79-W109 HydrophobicContact CE2-CE3 4.41Å; F79-W109 AromaticContact CE2-CH2 3.8Å; F79-W109 HydrophobicContact CE2-CH2 3.8Å; F79-W109 AromaticContact CE2-CZ2 3.81Å; F79-W109 HydrophobicContact CE2-CZ2 3.81Å; F79-W109 HydrophobicContact CE2-CZ3 4.12Å |
| 80 | R | 84.4 | Confident | 80.6 | Confident | 161 Ų | 161 | 53.4 Ų | 53.4 | 61% | 0.608 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -55.7 | -36.8 | 172.8 | -76.1 | 173.4 | -176.7 | -170 | 2.5 | 113.3 | P76 A78 A84 | P76-R80 VanDerWaalsContact O-CG 3.3Å; P76-R80 WeakPolarHBondContact O-CG 3.46Å; P76-R80 PolarHBondContact O-N 3.19Å; A78-R80 VanDerWaalsContact C-N 3.31Å; A78-R80 PolarHBondContact O-N 2.85Å; R80-A84 PolarHBondContact O-N 2.79Å; R80-A84 VanDerWaalsContact O-N 3.13Å |
| 81 | A | 78.4 | Confident | 79.8 | Confident | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.008 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -68 | -39.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | A78 F79 V83 A84 L85 L91 L94 F102 | A78-A81 VanDerWaalsContact O-CB 3.31Å; A78-A81 WeakPolarHBondContact O-CB 3.45Å; A78-A81 PolarHBondContact O-N 3.32Å; F79-A81 PolarHBondContact O-N 2.52Å; A81-V83 VanDerWaalsContact C-N 3.35Å; A81-A84 WeakPolarHBondContact O-CB 3.34Å; A81-A84 PolarHBondContact O-N 3.42Å; A81-L85 PolarHBondContact O-N 3.41Å; A81-L91 WeakPolarHBondContact O-CD1 3.34Å; A81-L94 VanDerWaalsContact CA-CD1 3.41Å; A81-L94 HydrophobicContact CB-CD1 3.28Å; A81-F102 HydrophobicContact CB-CE2 3.64Å; A81-F102 HydrophobicContact CB-CZ 3.81Å |
| 82 | I | 81.4 | Confident | 78.9 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -68.4 | -36.5 | 177.8 | -66.2 | 164.5 | 0 | 0 | 0 | 110.9 | L41 A78 F79 A84 L85 L86 F102 W109 I111 | L41-I82 HydrophobicContact CD1-CG2 3.78Å; L41-I82 HydrophobicContact CD2-CG2 3.56Å; L41-I82 HydrophobicContact CG-CG2 4.35Å; A78-I82 PolarHBondContact O-N 3.43Å; F79-I82 HydrophobicContact CD2-CB 4.46Å; F79-I82 CarbonylContact O-C 3.54Å; F79-I82 WeakPolarHBondContact O-CA 3.24Å; F79-I82 WeakPolarHBondContact O-CB 3.39Å; F79-I82 PolarHBondContact O-N 2.9Å; I82-A84 VanDerWaalsContact C-N 3.32Å; I82-A84 PolarHBondContact O-N 2.9Å; I82-L85 VanDerWaalsContact O-CB 3.27Å; I82-L85 WeakPolarHBondContact O-CB 3.26Å; I82-L85 PolarHBondContact O-N 3Å; I82-L85 VanDerWaalsContact O-N 3.16Å; I82-L86 PolarHBondContact O-N 3.07Å; I82-F102 HydrophobicContact CG1-CE2 4.49Å; I82-W109 HydrophobicContact CD1-CB 4.41Å; I82-W109 HydrophobicContact CD1-CG 3.84Å; I82-I111 HydrophobicContact CB-CD1 4.44Å; I82-I111 HydrophobicContact CD1-CD1 4.32Å; I82-I111 HydrophobicContact CG1-CD1 3.91Å; I82-I111 HydrophobicContact CG2-CD1 3.83Å |
| 83 | V | 80.1 | Confident | 77.8 | Confident | 5 Ų | 5 | 58.4 Ų | 58.4 | 3% | 0.03 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -67.1 | -35.3 | 174.4 | 176.4 | 0 | 0 | 0 | 0 | 111.2 | V29 F79 A81 L85 L86 R87 | V29-V83 HydrophobicContact CG1-CG1 4.42Å; V29-V83 HydrophobicContact CG2-CG1 4.16Å; V29-V83 HydrophobicContact CG2-CG2 3.61Å; F79-V83 HydrophobicContact CD1-CG2 3.77Å; F79-V83 HydrophobicContact CE1-CG2 3.57Å; F79-V83 HydrophobicContact CE2-CG2 4.46Å; F79-V83 HydrophobicContact CG-CG2 4.32Å; F79-V83 HydrophobicContact CZ-CG2 3.95Å; F79-V83 VanDerWaalsContact O-CG2 3.25Å; F79-V83 WeakPolarHBondContact O-CG2 3.3Å; F79-V83 PolarHBondContact O-N 2.99Å; A81-V83 VanDerWaalsContact C-N 3.35Å; V83-L85 PolarHBondContact O-N 2.78Å; V83-L86 WeakPolarHBondContact O-CB 3.32Å; V83-L86 PolarHBondContact O-N 2.83Å; V83-L86 VanDerWaalsContact O-N 3.11Å; V83-R87 VanDerWaalsContact CG1-CZ 3.48Å; V83-R87 PolarHBondContact O-N 3.33Å; V83-R87 VanDerWaalsContact O-N 3.08Å |
| 84 | A | 76.9 | Confident | 76.5 | Confident | 41 Ų | 41 | 56.8 Ų | 56.8 | 34% | 0.339 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.6 | -34.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112 | R80 A81 I82 R87 A88 | R80-A84 PolarHBondContact O-N 2.79Å; R80-A84 VanDerWaalsContact O-N 3.13Å; A81-A84 WeakPolarHBondContact O-CB 3.34Å; A81-A84 PolarHBondContact O-N 3.42Å; I82-A84 VanDerWaalsContact C-N 3.32Å; I82-A84 PolarHBondContact O-N 2.9Å; A84-R87 PolarHBondContact O-N 3.4Å; A84-A88 WeakPolarHBondContact O-CB 3.12Å; A84-A88 PolarHBondContact O-N 2.96Å |
| 85 | L | 73.9 | Confident | 75.1 | Confident | 2 Ų | 2 | 64.5 Ų | 64.5 | 1% | 0.01 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.7 | -40.9 | 171.4 | 165.2 | 70.4 | 0 | 0 | 0 | 112.2 | A81 I82 V83 R87 G89 L91 I111 | A81-L85 PolarHBondContact O-N 3.41Å; I82-L85 VanDerWaalsContact O-CB 3.27Å; I82-L85 WeakPolarHBondContact O-CB 3.26Å; I82-L85 PolarHBondContact O-N 3Å; I82-L85 VanDerWaalsContact O-N 3.16Å; V83-L85 PolarHBondContact O-N 2.78Å; L85-R87 VanDerWaalsContact C-N 3.27Å; L85-R87 PolarHBondContact O-N 2.87Å; L85-G89 VanDerWaalsContact O-CA 3.28Å; L85-G89 WeakPolarHBondContact O-CA 3.48Å; L85-G89 PolarHBondContact O-N 3Å; L85-L91 HydrophobicContact CB-CB 4.19Å; L85-L91 HydrophobicContact CB-CD1 3.72Å; L85-L91 HydrophobicContact CD1-CB 4.02Å; L85-L91 HydrophobicContact CD2-CB 4.32Å; L85-L91 HydrophobicContact CD2-CD1 4.06Å; L85-L91 HydrophobicContact CG-CB 4.4Å; L85-L91 HydrophobicContact CG-CD1 4.43Å; L85-I111 HydrophobicContact CD2-CD1 3.98Å; L85-I111 HydrophobicContact CD2-CG1 4.5Å; L85-I111 HydrophobicContact CD2-CG2 4.28Å |
| 86 | L | 72.3 | Confident | 73.9 | Confident | 49 Ų | 49 | 65.5 Ų | 65.5 | 26% | 0.257 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.8 | -34.2 | 176 | -64.1 | 178.6 | 0 | 0 | 0 | 112.5 | L31 P40 L41 I82 V83 | L31-L86 HydrophobicContact CD1-CD1 4.33Å; L31-L86 HydrophobicContact CD2-CD1 4.3Å; P40-L86 HydrophobicContact CG-CD2 3.69Å; L41-L86 HydrophobicContact CD1-CD1 3.86Å; L41-L86 HydrophobicContact CD1-CD2 3.94Å; L41-L86 HydrophobicContact CD1-CG 4.16Å; L41-L86 HydrophobicContact CG-CD2 4.15Å; I82-L86 PolarHBondContact O-N 3.07Å; V83-L86 WeakPolarHBondContact O-CB 3.32Å; V83-L86 PolarHBondContact O-N 2.83Å; V83-L86 VanDerWaalsContact O-N 3.11Å |
| 87 | R | 73 | Confident | 72.7 | Confident | 177 Ų | 177 | 65 Ų | 65 | 67% | 0.668 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -87.5 | -43 | -178 | -66.5 | -173.5 | -174.8 | 125.9 | 0.4 | 114 | V83 A84 L85 | V83-R87 VanDerWaalsContact CG1-CZ 3.48Å; V83-R87 PolarHBondContact O-N 3.33Å; V83-R87 VanDerWaalsContact O-N 3.08Å; A84-R87 PolarHBondContact O-N 3.4Å; L85-R87 VanDerWaalsContact C-N 3.27Å; L85-R87 PolarHBondContact O-N 2.87Å |
| 88 | A | 71.3 | Confident | 72.2 | Confident | 74 Ų | 74 | 65.4 Ų | 65.4 | 61% | 0.612 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -105.5 | -7 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | A84 K90 | A84-A88 WeakPolarHBondContact O-CB 3.12Å; A84-A88 PolarHBondContact O-N 2.96Å; A88-K90 PolarHBondContact O-N 3.5Å |
| 89 | G | 67.1 | Low | 71.8 | Confident | 56 Ų | 56 | 65.9 Ų | 65.9 | 58% | 0.577 | 35% | 0.345 | S | S | * | . | S | Bend | trans | 71.1 | 3.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115 | L85 | L85-G89 VanDerWaalsContact O-CA 3.28Å; L85-G89 WeakPolarHBondContact O-CA 3.48Å; L85-G89 PolarHBondContact O-N 3Å |
| 90 | K | 68.4 | Low | 71.3 | Confident | 125 Ų | 125 | 67.8 Ų | 67.8 | 54% | 0.543 | 36% | 0.355 | S | S | . | . | trans | -129.3 | 130.3 | -179.2 | -63.2 | -178.7 | -176.7 | 176.7 | 0 | 110.4 | A88 E117 | A88-K90 PolarHBondContact O-N 3.5Å; K90-E117 WeakPolarHBondContact CD-OE1 3.46Å | ||
| 91 | L | 70.9 | Confident | 71 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 35% | 0.345 | C | S | . | . | B | Isolated β-bridge | trans | -95 | 119.6 | 178.1 | -171.1 | 69.2 | 0 | 0 | 0 | 110 | A81 L85 F102 L106 I111 L116 E117 | A81-L91 WeakPolarHBondContact O-CD1 3.34Å; L85-L91 HydrophobicContact CB-CB 4.19Å; L85-L91 HydrophobicContact CB-CD1 3.72Å; L85-L91 HydrophobicContact CD1-CB 4.02Å; L85-L91 HydrophobicContact CD2-CB 4.32Å; L85-L91 HydrophobicContact CD2-CD1 4.06Å; L85-L91 HydrophobicContact CG-CB 4.4Å; L85-L91 HydrophobicContact CG-CD1 4.43Å; L91-F102 HydrophobicContact CD1-CZ 4.16Å; L91-F102 HydrophobicContact CD2-CE1 4.41Å; L91-F102 HydrophobicContact CD2-CZ 4.48Å; L91-F102 HydrophobicContact CG-CZ 4.48Å; L91-L106 HydrophobicContact CD2-CD1 4.33Å; L91-L106 HydrophobicContact CD2-CD2 3.5Å; L91-I111 HydrophobicContact CD2-CG2 4.23Å; L91-L116 HydrophobicContact CD2-CD1 3.49Å; L91-L116 VanDerWaalsContact CD2-CD1 3.49Å; L91-L116 HydrophobicContact CD2-CG 3.78Å; L91-L116 HydrophobicContact CG-CD1 4.47Å; L91-L116 HydrophobicContact CG-CG 4.25Å; L91-E117 PolarHBondContact O-N 2.77Å |
| 92 | R | 70.4 | Confident | 71.2 | Confident | 144 Ų | 144 | 62.4 Ų | 62.4 | 54% | 0.543 | 35% | 0.345 | S | S | . | . | trans | -115.6 | 135.9 | 174.5 | -68.8 | -176.9 | 176.2 | 165.6 | 6.3 | 109.9 | L94 E117 | R92-L94 PolarHBondContact O-N 3.44Å; R92-L94 VanDerWaalsContact O-N 3.15Å; R92-E117 IonicContact CZ-OE1 3.26Å; R92-E117 IonicContact CZ-OE2 3.27Å; R92-E117 IonicContact NE-OE1 3.34Å; R92-E117 PolarHBondContact NE-OE1 3.01Å; R92-E117 IonicContact NE-OE2 2.77Å; R92-E117 PolarHBondContact NE-OE2 3.17Å; R92-E117 IonicContact NH2-OE1 2.95Å; R92-E117 PolarHBondContact NH2-OE1 2.97Å; R92-E117 IonicContact NH2-OE2 3.43Å | ||
| 93 | L | 68.7 | Low | 71.3 | Confident | 27 Ų | 27 | 65.8 Ų | 65.8 | 14% | 0.141 | 36% | 0.358 | C | S | . | . | trans | -70.5 | 108.4 | 172.2 | -174.2 | 69.2 | 0 | 0 | 0 | 108.5 | A99 F102 C120 | L93-A99 HydrophobicContact CD2-CB 4.31Å; L93-F102 HydrophobicContact CD1-CB 3.89Å; L93-F102 HydrophobicContact CD1-CD1 3.25Å; L93-F102 HydrophobicContact CD1-CD2 4.47Å; L93-F102 HydrophobicContact CD1-CE1 3.83Å; L93-F102 HydrophobicContact CD1-CG 3.6Å; L93-C120 HydrophobicContact CB-CB 4.15Å; L93-C120 PolarHBondContact N-SG 3.45Å; L93-C120 VanDerWaalsContact N-SG 3.45Å | ||
| 94 | L | 60.8 | Low | 71.5 | Confident | 85 Ų | 85 | 69.4 Ų | 69.4 | 45% | 0.445 | 38% | 0.377 | S | S | . | . | trans | -67.4 | 147.2 | 176.4 | -87 | 104.3 | 0 | 0 | 0 | 110.9 | A81 R92 G96 | A81-L94 VanDerWaalsContact CA-CD1 3.41Å; A81-L94 HydrophobicContact CB-CD1 3.28Å; R92-L94 PolarHBondContact O-N 3.44Å; R92-L94 VanDerWaalsContact O-N 3.15Å; L94-G96 VanDerWaalsContact C-N 3.34Å; L94-G96 PolarHBondContact O-N 3.29Å | ||
| 95 | R | 58.1 | Low | 72 | Confident | 245 Ų | 245 | 68.4 Ų | 68.4 | 93% | 0.925 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -67.1 | 92 | 168.5 | -77 | 178.2 | 169.6 | 174.4 | -4 | 108.1 | ||
| 96 | G | 59.5 | Low | 72.5 | Confident | 67 Ų | 67 | 68.4 Ų | 68.4 | 69% | 0.691 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -177.5 | -72.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L94 | L94-G96 VanDerWaalsContact C-N 3.34Å; L94-G96 PolarHBondContact O-N 3.29Å |
| 97 | P | 61.6 | Low | 73.2 | Confident | 31 Ų | 31 | 69.7 Ų | 69.7 | 20% | 0.201 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -75.6 | 149.9 | -178.8 | 28.4 | -32.4 | 0 | 0 | 0 | 112.5 | A99 F102 | P97-A99 PolarHBondContact O-N 2.91Å; P97-F102 HydrophobicContact CG-CB 4.36Å; P97-F102 HydrophobicContact CG-CD2 4.2Å |
| 98 | C | 70.5 | Confident | 73.9 | Confident | 80 Ų | 80 | 62.5 Ų | 62.5 | 54% | 0.541 | 36% | 0.356 | S | S | . | . | trans | -54.3 | 133.2 | 165.9 | 179 | 0 | 0 | 0 | 0 | 109.1 | L100 A101 F102 | C98-L100 PolarHBondContact O-N 3.47Å; C98-A101 HydrophobicContact CB-CB 4.04Å; C98-A101 PolarHBondContact O-N 2.9Å; C98-A101 VanDerWaalsContact O-N 3.1Å; C98-F102 PolarHBondContact O-N 3.23Å | ||
| 99 | A | 74.4 | Confident | 74.6 | Confident | 11 Ų | 11 | 59 Ų | 59 | 9% | 0.091 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -55.6 | -36 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L93 P97 F102 R103 L124 R127 | L93-A99 HydrophobicContact CD2-CB 4.31Å; P97-A99 PolarHBondContact O-N 2.91Å; A99-F102 PolarHBondContact O-N 3.49Å; A99-R103 PolarHBondContact O-N 3.35Å; A99-R103 VanDerWaalsContact O-N 3.1Å; A99-L124 HydrophobicContact CB-CD1 3.93Å; A99-L124 WeakPolarHBondContact O-CD1 3.44Å; A99-R127 HydrophobicContact CB-CB 3.94Å; A99-R127 HydrophobicContact CB-CG 3.96Å |
| 100 | L | 74.8 | Confident | 75.3 | Confident | 43 Ų | 43 | 58.2 Ų | 58.2 | 23% | 0.225 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -69.9 | -45.2 | 177.3 | -58.5 | 173.2 | 0 | 0 | 0 | 112 | C98 F102 R103 D104 E128 A131 | C98-L100 PolarHBondContact O-N 3.47Å; L100-F102 VanDerWaalsContact C-N 3.25Å; L100-F102 PolarHBondContact O-N 2.94Å; L100-R103 WeakPolarHBondContact O-CB 3.32Å; L100-R103 PolarHBondContact O-N 2.97Å; L100-R103 VanDerWaalsContact O-N 3.12Å; L100-D104 PolarHBondContact O-N 2.71Å; L100-D104 VanDerWaalsContact O-N 3.14Å; L100-E128 HydrophobicContact CD2-CG 3.94Å; L100-A131 HydrophobicContact CD1-CB 3.63Å; L100-A131 HydrophobicContact CD2-CB 4.21Å |
| 101 | A | 78.6 | Confident | 76 | Confident | 49 Ų | 49 | 52.7 Ų | 52.7 | 41% | 0.405 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63 | -35.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | C98 R103 D104 E105 | C98-A101 HydrophobicContact CB-CB 4.04Å; C98-A101 PolarHBondContact O-N 2.9Å; C98-A101 VanDerWaalsContact O-N 3.1Å; A101-R103 VanDerWaalsContact C-N 3.34Å; A101-D104 PolarHBondContact O-N 3.29Å; A101-E105 WeakPolarHBondContact O-CG 3.23Å; A101-E105 PolarHBondContact O-N 3.37Å; A101-E105 VanDerWaalsContact O-N 3.13Å |
| 102 | F | 82.1 | Confident | 76.6 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.4 | -36.8 | 174.8 | -172 | -110.6 | 0 | 0 | 0 | 112.4 | A78 A81 I82 L91 L93 P97 C98 A99 L100 E105 L106 | A78-F102 HydrophobicContact CB-CD2 3.97Å; A78-F102 HydrophobicContact CB-CE2 4.33Å; A81-F102 HydrophobicContact CB-CE2 3.64Å; A81-F102 HydrophobicContact CB-CZ 3.81Å; I82-F102 HydrophobicContact CG1-CE2 4.49Å; L91-F102 HydrophobicContact CD1-CZ 4.16Å; L91-F102 HydrophobicContact CD2-CE1 4.41Å; L91-F102 HydrophobicContact CD2-CZ 4.48Å; L91-F102 HydrophobicContact CG-CZ 4.48Å; L93-F102 HydrophobicContact CD1-CB 3.89Å; L93-F102 HydrophobicContact CD1-CD1 3.25Å; L93-F102 HydrophobicContact CD1-CD2 4.47Å; L93-F102 HydrophobicContact CD1-CE1 3.83Å; L93-F102 HydrophobicContact CD1-CG 3.6Å; P97-F102 HydrophobicContact CG-CB 4.36Å; P97-F102 HydrophobicContact CG-CD2 4.2Å; C98-F102 PolarHBondContact O-N 3.23Å; A99-F102 PolarHBondContact O-N 3.49Å; L100-F102 VanDerWaalsContact C-N 3.25Å; L100-F102 PolarHBondContact O-N 2.94Å; F102-E105 WeakPolarHBondContact O-CB 3.4Å; F102-E105 PolarHBondContact O-N 3.42Å; F102-L106 HydrophobicContact CD1-CD1 4.03Å; F102-L106 HydrophobicContact CD1-CG 4.16Å; F102-L106 HydrophobicContact CE1-CD1 3.87Å; F102-L106 HydrophobicContact CE1-CD2 3.85Å; F102-L106 HydrophobicContact CE1-CG 3.95Å; F102-L106 HydrophobicContact CZ-CD2 3.88Å; F102-L106 HydrophobicContact CZ-CG 4.37Å; F102-L106 WeakPolarHBondContact O-CG 3.49Å; F102-L106 PolarHBondContact O-N 3.25Å |
| 103 | R | 83.9 | Confident | 77.1 | Confident | 71 Ų | 71 | 53.8 Ų | 53.8 | 27% | 0.268 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.1 | -44 | 173.4 | -174.9 | -163.3 | 68.2 | -177.1 | 2.3 | 111.9 | A99 L100 A101 E105 L106 A107 E113 L124 E128 | A99-R103 PolarHBondContact O-N 3.35Å; A99-R103 VanDerWaalsContact O-N 3.1Å; L100-R103 WeakPolarHBondContact O-CB 3.32Å; L100-R103 PolarHBondContact O-N 2.97Å; L100-R103 VanDerWaalsContact O-N 3.12Å; A101-R103 VanDerWaalsContact C-N 3.34Å; R103-E105 PolarHBondContact O-N 3.42Å; R103-L106 WeakPolarHBondContact O-CB 3.42Å; R103-L106 PolarHBondContact O-N 3.05Å; R103-A107 PolarHBondContact O-N 3.38Å; R103-E113 WeakPolarHBondContact CG-OE1 3.46Å; R103-L124 HydrophobicContact CB-CD1 4.32Å; R103-E128 WeakPolarHBondContact CD-OE1 3.35Å; R103-E128 IonicContact CZ-OE1 2.71Å; R103-E128 IonicContact NE-OE1 2.8Å; R103-E128 IonicContact NH1-OE1 3.69Å; R103-E128 PolarHBondContact NH1-OE1 2.88Å |
| 104 | D | 83.6 | Confident | 77.5 | Confident | 81 Ų | 81 | 55.9 Ų | 55.9 | 43% | 0.433 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.5 | -32.3 | 178.5 | -58.5 | -22.1 | 0 | 0 | 0 | 110.9 | L100 A101 Y108 | L100-D104 PolarHBondContact O-N 2.71Å; L100-D104 VanDerWaalsContact O-N 3.14Å; A101-D104 PolarHBondContact O-N 3.29Å; D104-Y108 WeakPolarHBondContact O-CB 3.25Å; D104-Y108 PolarHBondContact O-N 2.86Å |
| 105 | E | 87.3 | Confident | 78.3 | Confident | 20 Ų | 20 | 56.2 Ų | 56.2 | 9% | 0.093 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -67.7 | -46.5 | 168.7 | -67.2 | -71 | 165.8 | 0 | 0 | 112 | R74 A78 A101 F102 R103 A107 Y108 W109 | R74-E105 IonicContact NE-OE1 3.24Å; R74-E105 IonicContact NE-OE2 3.34Å; A78-E105 HydrophobicContact CB-CB 4.06Å; A78-E105 HydrophobicContact CB-CG 3.64Å; A101-E105 WeakPolarHBondContact O-CG 3.23Å; A101-E105 PolarHBondContact O-N 3.37Å; A101-E105 VanDerWaalsContact O-N 3.13Å; F102-E105 WeakPolarHBondContact O-CB 3.4Å; F102-E105 PolarHBondContact O-N 3.42Å; R103-E105 PolarHBondContact O-N 3.42Å; E105-A107 VanDerWaalsContact C-N 3.28Å; E105-A107 PolarHBondContact O-N 2.92Å; E105-Y108 WeakPolarHBondContact O-CB 3.38Å; E105-Y108 PolarHBondContact O-N 2.83Å; E105-Y108 VanDerWaalsContact O-N 3.08Å; E105-W109 PolarHBondContact O-N 3.36Å; E105-W109 PolarHBondContact OE2-NE1 3.07Å; E105-W109 VanDerWaalsContact OE2-NE1 3.09Å |
| 106 | L | 86 | Confident | 79.2 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -56 | -43.9 | 175.7 | -64.3 | 176.9 | 0 | 0 | 0 | 112 | L91 F102 R103 W109 G110 I111 L116 | L91-L106 HydrophobicContact CD2-CD1 4.33Å; L91-L106 HydrophobicContact CD2-CD2 3.5Å; F102-L106 HydrophobicContact CD1-CD1 4.03Å; F102-L106 HydrophobicContact CD1-CG 4.16Å; F102-L106 HydrophobicContact CE1-CD1 3.87Å; F102-L106 HydrophobicContact CE1-CD2 3.85Å; F102-L106 HydrophobicContact CE1-CG 3.95Å; F102-L106 HydrophobicContact CZ-CD2 3.88Å; F102-L106 HydrophobicContact CZ-CG 4.37Å; F102-L106 WeakPolarHBondContact O-CG 3.49Å; F102-L106 PolarHBondContact O-N 3.25Å; R103-L106 WeakPolarHBondContact O-CB 3.42Å; R103-L106 PolarHBondContact O-N 3.05Å; L106-W109 PolarHBondContact O-N 3.17Å; L106-G110 PolarHBondContact O-N 3.45Å; L106-I111 HydrophobicContact CB-CB 4.41Å; L106-I111 HydrophobicContact CD2-CB 4.08Å; L106-I111 HydrophobicContact CD2-CD1 3.79Å; L106-I111 HydrophobicContact CD2-CG2 4.15Å; L106-I111 PolarHBondContact O-N 2.85Å; L106-L116 HydrophobicContact CD1-CD1 3.7Å |
| 107 | A | 86.2 | Confident | 80.2 | Confident | 77 Ų | 77 | 44.3 Ų | 44.3 | 64% | 0.636 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -63.4 | -43.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | R103 E105 W109 G110 | R103-A107 PolarHBondContact O-N 3.38Å; E105-A107 VanDerWaalsContact C-N 3.28Å; E105-A107 PolarHBondContact O-N 2.92Å; A107-W109 PolarHBondContact O-N 2.78Å; A107-G110 PolarHBondContact O-N 3.35Å |
| 108 | Y | 87.3 | Confident | 81 | Confident | 26 Ų | 26 | 52.8 Ų | 52.8 | 10% | 0.102 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.9 | -47 | 176.6 | 179.1 | -89.2 | 0 | 0 | 0 | 112 | R43 F72 R74 D104 E105 G110 | R43-Y108 VanDerWaalsContact CZ-CD2 3.45Å; R43-Y108 VanDerWaalsContact CZ-CZ 3.48Å; R43-Y108 PolarHBondContact NE-O 2.83Å; R43-Y108 PolarHBondContact NH1-OH 3.43Å; R43-Y108 PolarHBondContact NH2-O 3.37Å; F72-Y108 HydrophobicContact CD1-CE1 4.35Å; F72-Y108 WeakPolarHBondContact CD1-OH 3.39Å; R74-Y108 HydrophobicContact CG-CD1 4.41Å; R74-Y108 HydrophobicContact CG-CE1 3.85Å; R74-Y108 HydrophobicContact CG-CE2 4.38Å; D104-Y108 WeakPolarHBondContact O-CB 3.25Å; D104-Y108 PolarHBondContact O-N 2.86Å; E105-Y108 WeakPolarHBondContact O-CB 3.38Å; E105-Y108 PolarHBondContact O-N 2.83Å; E105-Y108 VanDerWaalsContact O-N 3.08Å; Y108-G110 VanDerWaalsContact C-N 3.27Å; Y108-G110 PolarHBondContact O-N 3.46Å |
| 109 | W | 86.9 | Confident | 81.4 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -79.4 | -7.3 | -179.8 | -63.8 | 103.8 | 0 | 0 | 0 | 113.7 | V24 L41 A42 L44 F72 F79 I82 E105 L106 A107 I111 | V24-W109 HydrophobicContact CG1-CH2 4.5Å; V24-W109 HydrophobicContact CG1-CZ2 3.91Å; V24-W109 HydrophobicContact CG2-CH2 3.7Å; V24-W109 HydrophobicContact CG2-CZ2 3.87Å; L41-W109 CarbonylContact C-O 3.6Å; L41-W109 WeakPolarHBondContact CA-O 3.4Å; L41-W109 HydrophobicContact CD2-CB 4.13Å; A42-W109 PolarHBondContact N-O 3.48Å; L44-W109 HydrophobicContact CD1-CZ3 4.4Å; L44-W109 HydrophobicContact CD2-CE3 4.48Å; L44-W109 HydrophobicContact CD2-CZ3 3.77Å; L44-W109 HydrophobicContact CG-CE3 4.21Å; L44-W109 HydrophobicContact CG-CZ3 3.97Å; F72-W109 HydrophobicContact CB-CH2 4.17Å; F72-W109 AromaticContact CD1-CH2 3.83Å; F72-W109 HydrophobicContact CD1-CH2 3.83Å; F72-W109 HydrophobicContact CD1-CZ3 4.27Å; F72-W109 HydrophobicContact CD2-CH2 4.16Å; F72-W109 HydrophobicContact CE1-CH2 4.2Å; F72-W109 HydrophobicContact CE1-CZ3 4.19Å; F72-W109 AromaticContact CG-CH2 3.79Å; F72-W109 HydrophobicContact CG-CH2 3.79Å; F72-W109 HydrophobicContact CZ-CZ3 4.44Å; F79-W109 HydrophobicContact CD2-CD2 4.45Å; F79-W109 AromaticContact CD2-CE2 3.8Å; F79-W109 HydrophobicContact CD2-CH2 4.1Å; F79-W109 AromaticContact CD2-CZ2 3.61Å; F79-W109 HydrophobicContact CD2-CZ2 3.61Å; F79-W109 HydrophobicContact CE2-CD2 4.42Å; F79-W109 HydrophobicContact CE2-CE3 4.41Å; F79-W109 AromaticContact CE2-CH2 3.8Å; F79-W109 HydrophobicContact CE2-CH2 3.8Å; F79-W109 AromaticContact CE2-CZ2 3.81Å; F79-W109 HydrophobicContact CE2-CZ2 3.81Å; F79-W109 HydrophobicContact CE2-CZ3 4.12Å; I82-W109 HydrophobicContact CD1-CB 4.41Å; I82-W109 HydrophobicContact CD1-CG 3.84Å; E105-W109 PolarHBondContact O-N 3.36Å; E105-W109 PolarHBondContact OE2-NE1 3.07Å; E105-W109 VanDerWaalsContact OE2-NE1 3.09Å; L106-W109 PolarHBondContact O-N 3.17Å; A107-W109 PolarHBondContact O-N 2.78Å; W109-I111 HydrophobicContact CB-CD1 4.21Å; W109-I111 HydrophobicContact CB-CG1 4.3Å |
| 110 | G | 81.3 | Confident | 81.6 | Confident | 40 Ų | 40 | 52.7 Ų | 52.7 | 41% | 0.412 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.5 | 33.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | L106 A107 Y108 | L106-G110 PolarHBondContact O-N 3.45Å; A107-G110 PolarHBondContact O-N 3.35Å; Y108-G110 VanDerWaalsContact C-N 3.27Å; Y108-G110 PolarHBondContact O-N 3.46Å |
| 111 | I | 84.1 | Confident | 82 | Confident | 9 Ų | 9 | 51.8 Ų | 51.8 | 5% | 0.046 | 29% | 0.286 | C | S | . | . | trans | -95.1 | 123.6 | 178.3 | -58.8 | 166.8 | 0 | 0 | 0 | 109.4 | L41 I82 L85 L91 L106 W109 E113 | L41-I111 HydrophobicContact CD2-CD1 3.35Å; L41-I111 HydrophobicContact CD2-CG1 3.4Å; I82-I111 HydrophobicContact CB-CD1 4.44Å; I82-I111 HydrophobicContact CD1-CD1 4.32Å; I82-I111 HydrophobicContact CG1-CD1 3.91Å; I82-I111 HydrophobicContact CG2-CD1 3.83Å; L85-I111 HydrophobicContact CD2-CD1 3.98Å; L85-I111 HydrophobicContact CD2-CG1 4.5Å; L85-I111 HydrophobicContact CD2-CG2 4.28Å; L91-I111 HydrophobicContact CD2-CG2 4.23Å; L106-I111 HydrophobicContact CB-CB 4.41Å; L106-I111 HydrophobicContact CD2-CB 4.08Å; L106-I111 HydrophobicContact CD2-CD1 3.79Å; L106-I111 HydrophobicContact CD2-CG2 4.15Å; L106-I111 PolarHBondContact O-N 2.85Å; W109-I111 HydrophobicContact CB-CD1 4.21Å; W109-I111 HydrophobicContact CB-CG1 4.3Å; I111-E113 PolarHBondContact O-N 3.41Å | ||
| 112 | D | 82.3 | Confident | 82.1 | Confident | 108 Ų | 108 | 58 Ų | 58 | 58% | 0.578 | 30% | 0.299 | S | S | * | . | trans | -65.1 | 129.9 | 169.8 | -168.4 | -27.5 | 0 | 0 | 0 | 111 | A114 R115 | D112-A114 PolarHBondContact O-N 3.37Å; D112-A114 VanDerWaalsContact O-N 3.17Å; D112-A114 WeakPolarHBondContact OD1-CB 3.12Å; D112-A114 PolarHBondContact OD1-N 3.4Å; D112-R115 WeakPolarHBondContact O-CB 3.28Å; D112-R115 PolarHBondContact O-N 2.9Å | ||
| 113 | E | 80.6 | Confident | 82 | Confident | 58 Ų | 58 | 64.8 Ų | 64.8 | 27% | 0.271 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -58 | -25.2 | 176.7 | -62 | 179.8 | -167 | 0 | 0 | 112.9 | R103 I111 R115 L116 L121 L124 | R103-E113 WeakPolarHBondContact CG-OE1 3.46Å; I111-E113 PolarHBondContact O-N 3.41Å; E113-R115 PolarHBondContact O-N 3.32Å; E113-L116 HydrophobicContact CB-CD1 4.48Å; E113-L116 WeakPolarHBondContact O-CB 3.3Å; E113-L116 WeakPolarHBondContact O-CD1 3.48Å; E113-L116 PolarHBondContact O-N 3.04Å; E113-L116 VanDerWaalsContact O-N 3.08Å; E113-L121 HydrophobicContact CB-CD1 4.32Å; E113-L124 HydrophobicContact CG-CD2 4.5Å |
| 114 | A | 77.3 | Confident | 81.8 | Confident | 72 Ų | 72 | 61.5 Ų | 61.5 | 60% | 0.595 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -59.4 | -18.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | D112 L116 | D112-A114 PolarHBondContact O-N 3.37Å; D112-A114 VanDerWaalsContact O-N 3.17Å; D112-A114 WeakPolarHBondContact OD1-CB 3.12Å; D112-A114 PolarHBondContact OD1-N 3.4Å; A114-L116 VanDerWaalsContact C-N 3.3Å; A114-L116 PolarHBondContact O-N 2.59Å |
| 115 | R | 77.4 | Confident | 81.8 | Confident | 92 Ų | 92 | 64.1 Ų | 64.1 | 35% | 0.347 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | -80.7 | -6.3 | 178.6 | -59.7 | -178.5 | 67.2 | -132.8 | 3 | 113.7 | P40 D112 E113 | P40-R115 VanDerWaalsContact CB-NH2 3.33Å; D112-R115 WeakPolarHBondContact O-CB 3.28Å; D112-R115 PolarHBondContact O-N 2.9Å; E113-R115 PolarHBondContact O-N 3.32Å |
| 116 | L | 78.4 | Confident | 81.3 | Confident | 10 Ų | 10 | 68.7 Ų | 68.7 | 5% | 0.052 | 33% | 0.332 | C | S | . | . | B | Isolated β-bridge | trans | -72.7 | 144.6 | 172.4 | -79.9 | 84.4 | 0 | 0 | 0 | 111.2 | L91 L106 E113 A114 C120 L121 L124 | L91-L116 HydrophobicContact CD2-CD1 3.49Å; L91-L116 VanDerWaalsContact CD2-CD1 3.49Å; L91-L116 HydrophobicContact CD2-CG 3.78Å; L91-L116 HydrophobicContact CG-CD1 4.47Å; L91-L116 HydrophobicContact CG-CG 4.25Å; L106-L116 HydrophobicContact CD1-CD1 3.7Å; E113-L116 HydrophobicContact CB-CD1 4.48Å; E113-L116 WeakPolarHBondContact O-CB 3.3Å; E113-L116 WeakPolarHBondContact O-CD1 3.48Å; E113-L116 PolarHBondContact O-N 3.04Å; E113-L116 VanDerWaalsContact O-N 3.08Å; A114-L116 VanDerWaalsContact C-N 3.3Å; A114-L116 PolarHBondContact O-N 2.59Å; L116-C120 HydrophobicContact CB-CB 4.27Å; L116-C120 HydrophobicContact CD2-CB 3.88Å; L116-L121 HydrophobicContact CB-CB 4.18Å; L116-L124 HydrophobicContact CD2-CD2 4.34Å |
| 117 | E | 79.1 | Confident | 81 | Confident | 52 Ų | 52 | 75.1 Ų | 75.1 | 24% | 0.243 | 36% | 0.356 | C | S | . | . | trans | -57.5 | 146.1 | 168.9 | -74.9 | -176.6 | 168.5 | 0 | 0 | 110.8 | K90 L91 R92 C119 C120 L121 | K90-E117 WeakPolarHBondContact CD-OE1 3.46Å; L91-E117 PolarHBondContact O-N 2.77Å; R92-E117 IonicContact CZ-OE1 3.26Å; R92-E117 IonicContact CZ-OE2 3.27Å; R92-E117 IonicContact NE-OE1 3.34Å; R92-E117 PolarHBondContact NE-OE1 3.01Å; R92-E117 IonicContact NE-OE2 2.77Å; R92-E117 PolarHBondContact NE-OE2 3.17Å; R92-E117 IonicContact NH2-OE1 2.95Å; R92-E117 PolarHBondContact NH2-OE1 2.97Å; R92-E117 IonicContact NH2-OE2 3.43Å; E117-C119 PolarHBondContact O-N 2.87Å; E117-C120 WeakPolarHBondContact O-CA 3.14Å; E117-C120 PolarHBondContact O-N 3.2Å; E117-L121 PolarHBondContact O-N 2.94Å | ||
| 118 | R | 78.6 | Confident | 80.6 | Confident | 209 Ų | 209 | 73.6 Ų | 73.6 | 79% | 0.789 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -51.8 | -28.9 | -175.9 | -67.9 | -179.1 | -179.3 | 179 | -0.2 | 114.6 | R122 | R118-R122 WeakPolarHBondContact O-CB 3.45Å; R118-R122 WeakPolarHBondContact O-CG 3.45Å; R118-R122 PolarHBondContact O-N 3.48Å; R118-R122 PolarHBondContact O-NE 3.41Å; R118-R122 VanDerWaalsContact O-NE 3.15Å |
| 119 | C | 79.4 | Confident | 80 | Confident | 74 Ų | 74 | 78 Ų | 78 | 50% | 0.5 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -73.4 | -40 | 175.9 | 59.5 | 0 | 0 | 0 | 0 | 112.2 | E117 R123 | E117-C119 PolarHBondContact O-N 2.87Å; C119-R123 WeakPolarHBondContact O-CB 3.27Å; C119-R123 PolarHBondContact O-N 3.08Å |
| 120 | C | 79.2 | Confident | 79.2 | Confident | 14 Ų | 14 | 81 Ų | 81 | 10% | 0.095 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -75.7 | -40.7 | -179.4 | -62.3 | 0 | 0 | 0 | 0 | 111 | L93 L116 E117 R123 L124 | L93-C120 HydrophobicContact CB-CB 4.15Å; L93-C120 PolarHBondContact N-SG 3.45Å; L93-C120 VanDerWaalsContact N-SG 3.45Å; L116-C120 HydrophobicContact CB-CB 4.27Å; L116-C120 HydrophobicContact CD2-CB 3.88Å; E117-C120 WeakPolarHBondContact O-CA 3.14Å; E117-C120 PolarHBondContact O-N 3.2Å; C120-R123 PolarHBondContact O-N 3.19Å; C120-L124 WeakPolarHBondContact O-CB 3.2Å; C120-L124 PolarHBondContact O-N 3.35Å |
| 121 | L | 82.9 | Confident | 78.7 | Confident | 25 Ų | 25 | 80.1 Ų | 80.1 | 13% | 0.131 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.5 | -45.3 | 175 | -176.3 | 63.2 | 0 | 0 | 0 | 111.8 | E113 L116 E117 R123 L124 R125 | E113-L121 HydrophobicContact CB-CD1 4.32Å; L116-L121 HydrophobicContact CB-CB 4.18Å; E117-L121 PolarHBondContact O-N 2.94Å; L121-R123 VanDerWaalsContact C-N 3.29Å; L121-R123 PolarHBondContact O-N 2.89Å; L121-L124 PolarHBondContact O-N 3.21Å; L121-R125 HydrophobicContact CD1-CG 4.5Å; L121-R125 WeakPolarHBondContact O-CG 3.42Å; L121-R125 PolarHBondContact O-N 3.45Å |
| 122 | R | 81.4 | Confident | 78.1 | Confident | 178 Ų | 178 | 82.4 Ų | 82.4 | 67% | 0.672 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -60.1 | -40 | 174.5 | -83 | -173.1 | -81.8 | -169.5 | -3.1 | 112.2 | R118 R126 | R118-R122 WeakPolarHBondContact O-CB 3.45Å; R118-R122 WeakPolarHBondContact O-CG 3.45Å; R118-R122 PolarHBondContact O-N 3.48Å; R118-R122 PolarHBondContact O-NE 3.41Å; R118-R122 VanDerWaalsContact O-NE 3.15Å; R122-R126 VanDerWaalsContact O-CB 3.31Å; R122-R126 WeakPolarHBondContact O-CB 3.34Å; R122-R126 PolarHBondContact O-N 3.03Å; R122-R126 VanDerWaalsContact O-N 3.12Å |
| 123 | R | 79.1 | Confident | 77.4 | Confident | 144 Ų | 144 | 84 Ų | 84 | 54% | 0.543 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -67.8 | -39 | 177.6 | -171.6 | -178.9 | -124.9 | -132.9 | -1 | 112.1 | C119 C120 L121 R127 | C119-R123 WeakPolarHBondContact O-CB 3.27Å; C119-R123 PolarHBondContact O-N 3.08Å; C120-R123 PolarHBondContact O-N 3.19Å; L121-R123 VanDerWaalsContact C-N 3.29Å; L121-R123 PolarHBondContact O-N 2.89Å; R123-R127 VanDerWaalsContact O-CG 3.31Å; R123-R127 WeakPolarHBondContact O-CG 3.5Å; R123-R127 PolarHBondContact O-N 3.17Å |
| 124 | L | 80.4 | Confident | 76.6 | Confident | 1 Ų | 1 | 84.4 Ų | 84.4 | 1% | 0.005 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -64.6 | -55.5 | 177.1 | -177.6 | 61 | 0 | 0 | 0 | 110.6 | A99 R103 E113 L116 C120 L121 R126 R127 E128 | A99-L124 HydrophobicContact CB-CD1 3.93Å; A99-L124 WeakPolarHBondContact O-CD1 3.44Å; R103-L124 HydrophobicContact CB-CD1 4.32Å; E113-L124 HydrophobicContact CG-CD2 4.5Å; L116-L124 HydrophobicContact CD2-CD2 4.34Å; C120-L124 WeakPolarHBondContact O-CB 3.2Å; C120-L124 PolarHBondContact O-N 3.35Å; L121-L124 PolarHBondContact O-N 3.21Å; L124-R126 VanDerWaalsContact C-N 3.32Å; L124-R126 PolarHBondContact O-N 3.45Å; L124-R127 WeakPolarHBondContact O-CA 3.42Å; L124-R127 WeakPolarHBondContact O-CB 3.31Å; L124-R127 PolarHBondContact O-N 2.95Å; L124-E128 PolarHBondContact O-N 3.4Å |
| 125 | R | 82.3 | Confident | 75.9 | Confident | 136 Ų | 136 | 90.1 Ų | 90.1 | 51% | 0.513 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -55.4 | -44.8 | 178.9 | -71.8 | -179.6 | -179.7 | 177.2 | -1.7 | 112.9 | L121 R127 E128 E129 | L121-R125 HydrophobicContact CD1-CG 4.5Å; L121-R125 WeakPolarHBondContact O-CG 3.42Å; L121-R125 PolarHBondContact O-N 3.45Å; R125-R127 VanDerWaalsContact C-N 3.27Å; R125-R127 PolarHBondContact O-N 3.25Å; R125-E128 WeakPolarHBondContact O-CB 3.31Å; R125-E128 PolarHBondContact O-N 3.06Å; R125-E128 VanDerWaalsContact O-N 3.08Å; R125-E129 WeakPolarHBondContact O-CG 3.31Å; R125-E129 PolarHBondContact O-N 2.95Å |
| 126 | R | 77.8 | Confident | 75 | Confident | 117 Ų | 117 | 88.1 Ų | 88.1 | 44% | 0.442 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -58 | -40.5 | 175.4 | -178.8 | -176.8 | 167.5 | 157.2 | 17.5 | 112.3 | R122 L124 E128 E130 | R122-R126 VanDerWaalsContact O-CB 3.31Å; R122-R126 WeakPolarHBondContact O-CB 3.34Å; R122-R126 PolarHBondContact O-N 3.03Å; R122-R126 VanDerWaalsContact O-N 3.12Å; L124-R126 VanDerWaalsContact C-N 3.32Å; L124-R126 PolarHBondContact O-N 3.45Å; R126-E128 VanDerWaalsContact C-N 3.32Å; R126-E130 IonicContact CZ-OE1 3.9Å; R126-E130 IonicContact NE-OE1 3.03Å; R126-E130 PolarHBondContact NE-OE1 3.33Å; R126-E130 IonicContact NH2-OE1 3.26Å; R126-E130 PolarHBondContact NH2-OE1 2.87Å; R126-E130 WeakPolarHBondContact O-CB 3.43Å; R126-E130 VanDerWaalsContact O-CG 3.23Å; R126-E130 WeakPolarHBondContact O-CG 3.5Å; R126-E130 PolarHBondContact O-N 3.27Å |
| 127 | R | 78.4 | Confident | 73.8 | Confident | 135 Ų | 135 | 88.9 Ų | 88.9 | 51% | 0.509 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -70.6 | -30.6 | 177.9 | -73.6 | -71 | -172.4 | 162.2 | 1.7 | 112.1 | A99 R123 L124 R125 E130 A131 | A99-R127 HydrophobicContact CB-CB 3.94Å; A99-R127 HydrophobicContact CB-CG 3.96Å; R123-R127 VanDerWaalsContact O-CG 3.31Å; R123-R127 WeakPolarHBondContact O-CG 3.5Å; R123-R127 PolarHBondContact O-N 3.17Å; L124-R127 WeakPolarHBondContact O-CA 3.42Å; L124-R127 WeakPolarHBondContact O-CB 3.31Å; L124-R127 PolarHBondContact O-N 2.95Å; R125-R127 VanDerWaalsContact C-N 3.27Å; R125-R127 PolarHBondContact O-N 3.25Å; R127-E130 WeakPolarHBondContact CD-OE2 3.37Å; R127-E130 IonicContact NE-OE2 3.8Å; R127-E130 IonicContact NH1-OE2 3.49Å; R127-A131 VanDerWaalsContact O-CB 3.24Å; R127-A131 WeakPolarHBondContact O-CB 3.29Å; R127-A131 PolarHBondContact O-N 3.31Å |
| 128 | E | 77.9 | Confident | 72.4 | Confident | 46 Ų | 46 | 92.3 Ų | 92.3 | 22% | 0.215 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -69.6 | -45.8 | 172.5 | -65.3 | -175.9 | 123.8 | 0 | 0 | 111.8 | L100 R103 L124 R125 R126 A131 A132 | L100-E128 HydrophobicContact CD2-CG 3.94Å; R103-E128 WeakPolarHBondContact CD-OE1 3.35Å; R103-E128 IonicContact CZ-OE1 2.71Å; R103-E128 IonicContact NE-OE1 2.8Å; R103-E128 IonicContact NH1-OE1 3.69Å; R103-E128 PolarHBondContact NH1-OE1 2.88Å; L124-E128 PolarHBondContact O-N 3.4Å; R125-E128 WeakPolarHBondContact O-CB 3.31Å; R125-E128 PolarHBondContact O-N 3.06Å; R125-E128 VanDerWaalsContact O-N 3.08Å; R126-E128 VanDerWaalsContact C-N 3.32Å; E128-A131 CarbonylContact O-C 3.52Å; E128-A131 PolarHBondContact O-N 3.33Å; E128-A131 VanDerWaalsContact O-N 3.16Å; E128-A132 VanDerWaalsContact O-CB 3.27Å; E128-A132 WeakPolarHBondContact O-CB 3.32Å; E128-A132 PolarHBondContact O-N 3.43Å |
| 129 | E | 75.8 | Confident | 71 | Confident | 118 Ų | 118 | 85.6 Ų | 85.6 | 55% | 0.551 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -57.1 | -50.3 | 173.6 | -71 | 166.7 | -177.2 | 0 | 0 | 110.3 | R125 A131 A132 E133 | R125-E129 WeakPolarHBondContact O-CG 3.31Å; R125-E129 PolarHBondContact O-N 2.95Å; E129-A131 VanDerWaalsContact C-N 3.26Å; E129-A131 PolarHBondContact O-N 3Å; E129-A132 PolarHBondContact O-N 3.23Å; E129-E133 WeakPolarHBondContact O-CB 3.5Å; E129-E133 VanDerWaalsContact O-CG 3.31Å; E129-E133 WeakPolarHBondContact O-CG 3.28Å; E129-E133 PolarHBondContact O-N 3Å |
| 130 | E | 70.7 | Confident | 69.1 | Low | 64 Ų | 64 | 88.7 Ų | 88.7 | 30% | 0.299 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -58.5 | -35.7 | 176.3 | -74.5 | 170.7 | -172.7 | 0 | 0 | 112.4 | R126 R127 A134 | R126-E130 IonicContact CZ-OE1 3.9Å; R126-E130 IonicContact NE-OE1 3.03Å; R126-E130 PolarHBondContact NE-OE1 3.33Å; R126-E130 IonicContact NH2-OE1 3.26Å; R126-E130 PolarHBondContact NH2-OE1 2.87Å; R126-E130 WeakPolarHBondContact O-CB 3.43Å; R126-E130 VanDerWaalsContact O-CG 3.23Å; R126-E130 WeakPolarHBondContact O-CG 3.5Å; R126-E130 PolarHBondContact O-N 3.27Å; R127-E130 WeakPolarHBondContact CD-OE2 3.37Å; R127-E130 IonicContact NE-OE2 3.8Å; R127-E130 IonicContact NH1-OE2 3.49Å; E130-A134 VanDerWaalsContact O-CB 3.31Å; E130-A134 WeakPolarHBondContact O-CB 3.49Å; E130-A134 PolarHBondContact O-N 3.37Å |
| 131 | A | 70.4 | Confident | 67.4 | Low | 21 Ų | 21 | 95.1 Ų | 95.1 | 17% | 0.174 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -79.4 | -35.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L100 R127 E128 E129 A134 R135 | L100-A131 HydrophobicContact CD1-CB 3.63Å; L100-A131 HydrophobicContact CD2-CB 4.21Å; R127-A131 VanDerWaalsContact O-CB 3.24Å; R127-A131 WeakPolarHBondContact O-CB 3.29Å; R127-A131 PolarHBondContact O-N 3.31Å; E128-A131 CarbonylContact O-C 3.52Å; E128-A131 PolarHBondContact O-N 3.33Å; E128-A131 VanDerWaalsContact O-N 3.16Å; E129-A131 VanDerWaalsContact C-N 3.26Å; E129-A131 PolarHBondContact O-N 3Å; A131-A134 PolarHBondContact O-N 2.94Å; A131-R135 WeakPolarHBondContact O-CB 3.41Å; A131-R135 VanDerWaalsContact O-CG 3.3Å; A131-R135 WeakPolarHBondContact O-CG 3.48Å; A131-R135 PolarHBondContact O-N 3.37Å |
| 132 | A | 71.6 | Confident | 65.5 | Low | 56 Ų | 56 | 96.3 Ų | 96.3 | 46% | 0.463 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.2 | -43.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110 | E128 E129 A134 R135 A136 | E128-A132 VanDerWaalsContact O-CB 3.27Å; E128-A132 WeakPolarHBondContact O-CB 3.32Å; E128-A132 PolarHBondContact O-N 3.43Å; E129-A132 PolarHBondContact O-N 3.23Å; A132-A134 VanDerWaalsContact C-N 3.34Å; A132-A134 PolarHBondContact O-N 2.9Å; A132-R135 PolarHBondContact O-N 2.91Å; A132-A136 VanDerWaalsContact O-CB 3.22Å; A132-A136 WeakPolarHBondContact O-CB 3.35Å; A132-A136 PolarHBondContact O-N 3.49Å |
| 133 | E | 67.3 | Low | 63.3 | Low | 141 Ų | 141 | 91.6 Ų | 91.6 | 66% | 0.659 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.7 | -40.3 | 171.8 | -73.2 | 177.6 | -177.7 | 0 | 0 | 111.9 | E129 R135 A136 G137 | E129-E133 WeakPolarHBondContact O-CB 3.5Å; E129-E133 VanDerWaalsContact O-CG 3.31Å; E129-E133 WeakPolarHBondContact O-CG 3.28Å; E129-E133 PolarHBondContact O-N 3Å; E133-R135 VanDerWaalsContact C-N 3.33Å; E133-R135 PolarHBondContact O-N 3.24Å; E133-A136 CarbonylContact O-C 3.54Å; E133-A136 PolarHBondContact O-N 3.44Å; E133-G137 PolarHBondContact O-N 3.18Å |
| 134 | A | 63.4 | Low | 61.1 | Low | 68 Ų | 68 | 94.3 Ų | 94.3 | 56% | 0.562 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66 | -34.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | E130 A131 A132 | E130-A134 VanDerWaalsContact O-CB 3.31Å; E130-A134 WeakPolarHBondContact O-CB 3.49Å; E130-A134 PolarHBondContact O-N 3.37Å; A131-A134 PolarHBondContact O-N 2.94Å; A132-A134 VanDerWaalsContact C-N 3.34Å; A132-A134 PolarHBondContact O-N 2.9Å |
| 135 | R | 63.3 | Low | 59 | Low | 192 Ų | 192 | 97.1 Ų | 97.1 | 73% | 0.725 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -75.2 | -36 | 174 | -73.5 | 174.5 | -180 | -177 | -0.6 | 112.4 | A131 A132 E133 G137 | A131-R135 WeakPolarHBondContact O-CB 3.41Å; A131-R135 VanDerWaalsContact O-CG 3.3Å; A131-R135 WeakPolarHBondContact O-CG 3.48Å; A131-R135 PolarHBondContact O-N 3.37Å; A132-R135 PolarHBondContact O-N 2.91Å; E133-R135 VanDerWaalsContact C-N 3.33Å; E133-R135 PolarHBondContact O-N 3.24Å; R135-G137 VanDerWaalsContact C-N 3.3Å |
| 136 | A | 58 | Low | 56.6 | Low | 50 Ų | 50 | 96.1 Ų | 96.1 | 41% | 0.413 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -80.1 | -8.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | A132 E133 | A132-A136 VanDerWaalsContact O-CB 3.22Å; A132-A136 WeakPolarHBondContact O-CB 3.35Å; A132-A136 PolarHBondContact O-N 3.49Å; E133-A136 CarbonylContact O-C 3.54Å; E133-A136 PolarHBondContact O-N 3.44Å |
| 137 | G | 53.3 | Low | 55 | Low | 25 Ų | 25 | 96.4 Ų | 96.4 | 26% | 0.258 | 57% | 0.57 | S | S | . | * | S | Bend | trans | -51.2 | 169.2 | 163.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | E133 R135 A139 E140 | E133-G137 PolarHBondContact O-N 3.18Å; R135-G137 VanDerWaalsContact C-N 3.3Å; G137-A139 WeakPolarHBondContact O-CA 3.42Å; G137-A139 PolarHBondContact O-N 2.88Å; G137-E140 PolarHBondContact O-N 3.26Å |
| 138 | P | 50.2 | Low | 53.5 | Low | 125 Ų | 125 | 94.4 Ų | 94.4 | 81% | 0.812 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.5 | -2.8 | -144.6 | 18.4 | -33.6 | 0 | 0 | 0 | 120.2 | ||
| 139 | A | 47.4 | Very low | 51.5 | Low | 68 Ų | 68 | 104.3 Ų | 104.3 | 56% | 0.562 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.3 | -37 | 166.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | G137 G142 A143 | G137-A139 WeakPolarHBondContact O-CA 3.42Å; G137-A139 PolarHBondContact O-N 2.88Å; A139-G142 PolarHBondContact O-N 3.43Å; A139-G142 VanDerWaalsContact O-N 3.08Å; A139-A143 WeakPolarHBondContact O-CB 3.39Å; A139-A143 PolarHBondContact O-N 2.96Å; A139-A143 VanDerWaalsContact O-N 3.07Å |
| 140 | E | 41.1 | Very low | 49.6 | Very low | 138 Ų | 138 | 103.4 Ų | 103.4 | 65% | 0.645 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | -22.9 | -175.7 | -71.4 | -152.6 | 144 | 0 | 0 | 115.1 | G137 G142 | G137-E140 PolarHBondContact O-N 3.26Å; E140-G142 PolarHBondContact O-N 3.39Å |
| 141 | L | 42.6 | Very low | 48.4 | Very low | 149 Ų | 149 | 109.1 Ų | 109.1 | 78% | 0.78 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | -10.3 | 166.3 | -103.7 | 92.1 | 0 | 0 | 0 | 112.9 | ||
| 142 | G | 42.4 | Very low | 47.3 | Very low | 51 Ų | 51 | 109.5 Ų | 109.5 | 53% | 0.526 | 67% | 0.668 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -103.4 | -17 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | A139 E140 | A139-G142 PolarHBondContact O-N 3.43Å; A139-G142 VanDerWaalsContact O-N 3.08Å; E140-G142 PolarHBondContact O-N 3.39Å |
| 143 | A | 37 | Very low | 46.5 | Very low | 79 Ų | 79 | 111.8 Ų | 111.8 | 65% | 0.653 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98 | 6 | -165.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | A139 G145 | A139-A143 WeakPolarHBondContact O-CB 3.39Å; A139-A143 PolarHBondContact O-N 2.96Å; A139-A143 VanDerWaalsContact O-N 3.07Å; A143-G145 PolarHBondContact O-N 3.1Å |
| 144 | Q | 32.7 | Very low | 45.9 | Very low | 200 Ų | 200 | 115.5 Ų | 115.5 | 94% | 0.935 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | 10.9 | 167.8 | -85.6 | -176.5 | 12.9 | 0 | 0 | 114.1 | ||
| 145 | G | 36.4 | Very low | 45.7 | Very low | 60 Ų | 60 | 114 Ų | 114 | 62% | 0.619 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -97.4 | 103.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | A143 | A143-G145 PolarHBondContact O-N 3.1Š|
| 146 | S | 31.3 | Very low | 46 | Very low | 116 Ų | 116 | 114.3 Ų | 114.3 | 81% | 0.811 | 68% | 0.678 | S | S | * | * | trans | -43 | 146.1 | 168.5 | -77.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 147 | P | 44.4 | Very low | 46.6 | Very low | 122 Ų | 122 | 117.7 Ų | 117.7 | 79% | 0.792 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -71.1 | 137.8 | 179.3 | 31.1 | -31.9 | 0 | 0 | 0 | 110.1 | ||
| 148 | A | 45.4 | Very low | 47.5 | Very low | 94 Ų | 94 | 121.9 Ų | 121.9 | 78% | 0.777 | 70% | 0.701 | S | S | * | * | trans | 49.5 | 88.4 | 156.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 149 | R | 36 | Very low | 48.7 | Very low | 254 Ų | 254 | 124.5 Ų | 124.5 | 96% | 0.958 | 70% | 0.695 | S | S | * | * | trans | -157.3 | 129.9 | 140.7 | -111.4 | 165.5 | -175.8 | 172.5 | 1.3 | 112 | ||||
| 150 | A | 37 | Very low | 50 | Low | 99 Ų | 99 | 123.1 Ų | 123.1 | 82% | 0.818 | 69% | 0.688 | S | S | * | * | trans | 78.1 | 101.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 118.4 | G152 | A150-G152 PolarHBondContact O-N 3.41Š| ||
| 151 | L | 45.1 | Very low | 51.8 | Low | 183 Ų | 183 | 123 Ų | 123 | 96% | 0.958 | 68% | 0.681 | S | S | * | * | trans | -70.2 | 71.8 | 166.3 | -140.8 | 85.7 | 0 | 0 | 0 | 110.6 | ||||
| 152 | G | 47.1 | Very low | 53.4 | Low | 29 Ų | 29 | 123.5 Ų | 123.5 | 30% | 0.299 | 67% | 0.673 | S | S | . | * | trans | -83.2 | 165.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | A150 R154 G155 | A150-G152 PolarHBondContact O-N 3.41Å; G152-R154 PolarHBondContact O-N 2.61Å; G152-G155 PolarHBondContact O-N 2.95Å | ||
| 153 | P | 54.9 | Low | 55 | Low | 105 Ų | 105 | 129.7 Ų | 129.7 | 68% | 0.682 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -54.8 | -23.4 | 172.9 | 18.2 | -29.2 | 0 | 0 | 0 | 113.6 | G155 R156 L157 | P153-G155 VanDerWaalsContact C-N 3.31Å; P153-G155 PolarHBondContact O-N 3.47Å; P153-R156 PolarHBondContact O-N 3.36Å; P153-L157 PolarHBondContact O-N 2.96Å |
| 154 | R | 54.7 | Low | 57.1 | Low | 218 Ų | 218 | 129.3 Ų | 129.3 | 82% | 0.823 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -60.9 | -32.6 | 170.2 | -79.2 | -179 | 163.8 | 156.3 | -3.6 | 113.6 | G152 Q158 | G152-R154 PolarHBondContact O-N 2.61Å; R154-Q158 VanDerWaalsContact O-CB 3.29Å; R154-Q158 WeakPolarHBondContact O-CB 3.32Å; R154-Q158 PolarHBondContact O-N 2.87Å |
| 155 | G | 60.3 | Low | 59.4 | Low | 36 Ų | 36 | 124.3 Ų | 124.3 | 37% | 0.371 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -70.1 | -34.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | G152 P153 R159 | G152-G155 PolarHBondContact O-N 2.95Å; P153-G155 VanDerWaalsContact C-N 3.31Å; P153-G155 PolarHBondContact O-N 3.47Å; G155-R159 VanDerWaalsContact O-CB 3.31Å; G155-R159 WeakPolarHBondContact O-CB 3.36Å; G155-R159 PolarHBondContact O-N 2.96Å |
| 156 | R | 68.8 | Low | 61.3 | Low | 200 Ų | 200 | 124.8 Ų | 124.8 | 76% | 0.755 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -69.1 | -43.8 | 174.3 | -79.1 | -170.8 | -83.2 | -122.2 | 0.1 | 111.7 | P153 Q158 R159 G160 | P153-R156 PolarHBondContact O-N 3.36Å; R156-Q158 VanDerWaalsContact C-N 3.35Å; R156-Q158 PolarHBondContact O-N 2.84Å; R156-R159 PolarHBondContact O-N 2.81Å; R156-G160 PolarHBondContact O-N 2.9Å |
| 157 | L | 71.3 | Confident | 63.7 | Low | 120 Ų | 120 | 121.2 Ų | 121.2 | 63% | 0.628 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -63.8 | -41 | 176.4 | -164.8 | 74.5 | 0 | 0 | 0 | 111.6 | P153 G160 R161 | P153-L157 PolarHBondContact O-N 2.96Å; L157-G160 PolarHBondContact O-N 3.5Å; L157-R161 WeakPolarHBondContact O-CG 3.29Å; L157-R161 PolarHBondContact O-N 3.47Å |
| 158 | Q | 71.8 | Confident | 65.5 | Low | 113 Ų | 113 | 116 Ų | 116 | 53% | 0.528 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -67.8 | -38.3 | 177.9 | -163.8 | 173.4 | 13.6 | 0 | 0 | 112.1 | R154 R156 R161 R162 | R154-Q158 VanDerWaalsContact O-CB 3.29Å; R154-Q158 WeakPolarHBondContact O-CB 3.32Å; R154-Q158 PolarHBondContact O-N 2.87Å; R156-Q158 VanDerWaalsContact C-N 3.35Å; R156-Q158 PolarHBondContact O-N 2.84Å; Q158-R161 PolarHBondContact O-N 3.14Å; Q158-R162 WeakPolarHBondContact O-CG 3.43Å; Q158-R162 PolarHBondContact O-N 2.99Å |
| 159 | R | 74.6 | Confident | 67 | Low | 181 Ų | 181 | 115 Ų | 115 | 68% | 0.683 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -66.2 | -38.7 | 173 | -167.7 | 178 | -82.6 | -168.6 | -5.6 | 111.9 | G155 R156 R162 R163 | G155-R159 VanDerWaalsContact O-CB 3.31Å; G155-R159 WeakPolarHBondContact O-CB 3.36Å; G155-R159 PolarHBondContact O-N 2.96Å; R156-R159 PolarHBondContact O-N 2.81Å; R159-R162 PolarHBondContact O-N 2.55Å; R159-R163 PolarHBondContact O-N 2.75Å |
| 160 | G | 75.4 | Confident | 68.7 | Low | 39 Ų | 39 | 106.8 Ų | 106.8 | 40% | 0.402 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.8 | -45.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | R156 L157 R162 R163 L164 | R156-G160 PolarHBondContact O-N 2.9Å; L157-G160 PolarHBondContact O-N 3.5Å; G160-R162 PolarHBondContact O-N 2.86Å; G160-R163 PolarHBondContact O-N 3.32Å; G160-L164 WeakPolarHBondContact O-CB 3.42Å; G160-L164 PolarHBondContact O-N 2.78Å |
| 161 | R | 78.3 | Confident | 70.4 | Confident | 135 Ų | 135 | 104.7 Ų | 104.7 | 51% | 0.509 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63 | -38.4 | 175.3 | -73 | 178.7 | 91.3 | 178.7 | 5.7 | 112.5 | L157 Q158 L164 R165 L239 | L157-R161 WeakPolarHBondContact O-CG 3.29Å; L157-R161 PolarHBondContact O-N 3.47Å; Q158-R161 PolarHBondContact O-N 3.14Å; R161-L164 PolarHBondContact O-N 3.48Å; R161-R165 WeakPolarHBondContact O-CB 3.1Å; R161-R165 PolarHBondContact O-N 2.93Å; R161-L239 PolarHBondContact NH2-O 2.81Å |
| 162 | R | 76 | Confident | 71.5 | Confident | 159 Ų | 159 | 100.8 Ų | 100.8 | 60% | 0.6 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -63.7 | -49.4 | 174 | -76.4 | -177.8 | -177.7 | -170 | 0.9 | 111.6 | Q158 R159 G160 L164 R165 D166 | Q158-R162 WeakPolarHBondContact O-CG 3.43Å; Q158-R162 PolarHBondContact O-N 2.99Å; R159-R162 PolarHBondContact O-N 2.55Å; G160-R162 PolarHBondContact O-N 2.86Å; R162-L164 VanDerWaalsContact C-N 3.31Å; R162-L164 PolarHBondContact O-N 3.22Å; R162-R165 WeakPolarHBondContact O-CA 3.3Å; R162-R165 WeakPolarHBondContact O-CB 3.43Å; R162-R165 PolarHBondContact O-N 2.74Å; R162-R165 VanDerWaalsContact O-N 3.08Å; R162-D166 VanDerWaalsContact O-CG 3.28Å; R162-D166 PolarHBondContact O-N 3.34Å |
| 163 | R | 77 | Confident | 72.6 | Confident | 182 Ų | 182 | 102 Ų | 102 | 69% | 0.687 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -58.6 | -41.8 | 175.6 | -78.5 | -171.9 | -179.6 | -93.7 | 2.7 | 112.6 | R159 G160 R165 D166 V167 | R159-R163 PolarHBondContact O-N 2.75Å; G160-R163 PolarHBondContact O-N 3.32Å; R163-R165 VanDerWaalsContact C-N 3.32Å; R163-D166 PolarHBondContact O-N 2.98Å; R163-V167 WeakPolarHBondContact O-CG2 3.41Å; R163-V167 PolarHBondContact O-N 2.71Å |
| 164 | L | 79.9 | Confident | 73.8 | Confident | 71 Ų | 71 | 98.5 Ų | 98.5 | 37% | 0.372 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.4 | -39.9 | 176.2 | -175.7 | 66.2 | 0 | 0 | 0 | 111.6 | G160 R161 R162 V167 V168 L236 | G160-L164 WeakPolarHBondContact O-CB 3.42Å; G160-L164 PolarHBondContact O-N 2.78Å; R161-L164 PolarHBondContact O-N 3.48Å; R162-L164 VanDerWaalsContact C-N 3.31Å; R162-L164 PolarHBondContact O-N 3.22Å; L164-V167 PolarHBondContact O-N 2.83Å; L164-V168 HydrophobicContact CD1-CG2 4.17Å; L164-V168 HydrophobicContact CG-CG2 4.41Å; L164-V168 WeakPolarHBondContact O-CB 3.39Å; L164-V168 VanDerWaalsContact O-CG2 3.28Å; L164-V168 WeakPolarHBondContact O-CG2 3.49Å; L164-V168 PolarHBondContact O-N 3.23Å; L164-L236 HydrophobicContact CD2-CD2 4.42Å |
| 165 | R | 81.2 | Confident | 75.3 | Confident | 94 Ų | 94 | 95.5 Ų | 95.5 | 36% | 0.355 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62 | -45 | 174.3 | -168.3 | -177.7 | -72.8 | -164.3 | 3 | 112.5 | R161 R162 R163 V167 V168 D169 Q240 | R161-R165 WeakPolarHBondContact O-CB 3.1Å; R161-R165 PolarHBondContact O-N 2.93Å; R162-R165 WeakPolarHBondContact O-CA 3.3Å; R162-R165 WeakPolarHBondContact O-CB 3.43Å; R162-R165 PolarHBondContact O-N 2.74Å; R162-R165 VanDerWaalsContact O-N 3.08Å; R163-R165 VanDerWaalsContact C-N 3.32Å; R165-V167 VanDerWaalsContact C-N 3.29Å; R165-V167 PolarHBondContact O-N 2.74Å; R165-V168 PolarHBondContact O-N 2.8Å; R165-D169 WeakPolarHBondContact CG-OD2 3.43Å; R165-D169 WeakPolarHBondContact O-CB 3.41Å; R165-D169 PolarHBondContact O-N 3.48Å; R165-Q240 PolarHBondContact NH2-O 3.04Å |
| 166 | D | 76.1 | Confident | 76.4 | Confident | 70 Ų | 70 | 96.3 Ų | 96.3 | 37% | 0.374 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63.1 | -38.2 | 177.3 | -61.9 | -31.2 | 0 | 0 | 0 | 111.4 | R162 R163 N170 S173 | R162-D166 VanDerWaalsContact O-CG 3.28Å; R162-D166 PolarHBondContact O-N 3.34Å; R163-D166 PolarHBondContact O-N 2.98Å; D166-N170 CarbonylContact O-C 3.58Å; D166-N170 WeakPolarHBondContact O-CA 3.31Å; D166-N170 VanDerWaalsContact O-CB 3.25Å; D166-N170 WeakPolarHBondContact O-CB 3.36Å; D166-N170 PolarHBondContact O-N 3.37Å; D166-N170 VanDerWaalsContact O-N 3.14Å; D166-S173 WeakPolarHBondContact O-CB 3.45Å; D166-S173 PolarHBondContact O-OG 2.75Å |
| 167 | V | 82.9 | Confident | 77.2 | Confident | 42 Ų | 42 | 86.8 Ų | 86.8 | 26% | 0.255 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -69.7 | -39.6 | 177.2 | 172.3 | 0 | 0 | 0 | 0 | 112.5 | R163 L164 R165 A176 F180 | R163-V167 WeakPolarHBondContact O-CG2 3.41Å; R163-V167 PolarHBondContact O-N 2.71Å; L164-V167 PolarHBondContact O-N 2.83Å; R165-V167 VanDerWaalsContact C-N 3.29Å; R165-V167 PolarHBondContact O-N 2.74Å; V167-A176 HydrophobicContact CG1-CB 4.23Å; V167-A176 HydrophobicContact CG2-CB 4.14Å; V167-F180 HydrophobicContact CG1-CB 4.37Å |
| 168 | V | 82.8 | Confident | 78 | Confident | 11 Ų | 11 | 87.1 Ų | 87.1 | 7% | 0.067 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -83.9 | -37.4 | -173.2 | 173.2 | 0 | 0 | 0 | 0 | 113.1 | L164 R165 F180 L236 R237 | L164-V168 HydrophobicContact CD1-CG2 4.17Å; L164-V168 HydrophobicContact CG-CG2 4.41Å; L164-V168 WeakPolarHBondContact O-CB 3.39Å; L164-V168 VanDerWaalsContact O-CG2 3.28Å; L164-V168 WeakPolarHBondContact O-CG2 3.49Å; L164-V168 PolarHBondContact O-N 3.23Å; R165-V168 PolarHBondContact O-N 2.8Å; V168-F180 HydrophobicContact CB-CE1 4.33Å; V168-F180 HydrophobicContact CG1-CE1 4.05Å; V168-F180 HydrophobicContact CG1-CZ 4.28Å; V168-F180 HydrophobicContact CG2-CE1 4.3Å; V168-F180 HydrophobicContact CG2-CZ 4.19Å; V168-L236 HydrophobicContact CG2-CD1 4.25Å; V168-R237 HydrophobicContact CG1-CG 3.59Å |
| 169 | D | 76.5 | Confident | 78.9 | Confident | 73 Ų | 73 | 87.1 Ų | 87.1 | 39% | 0.39 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -98.6 | -29.8 | -174.8 | -68.4 | -26.8 | 0 | 0 | 0 | 112.9 | R165 P171 | R165-D169 WeakPolarHBondContact CG-OD2 3.43Å; R165-D169 WeakPolarHBondContact O-CB 3.41Å; R165-D169 PolarHBondContact O-N 3.48Å; D169-P171 WeakPolarHBondContact O-CD 3.22Å |
| 170 | N | 72 | Confident | 79.6 | Confident | 83 Ų | 83 | 79.8 Ų | 79.8 | 44% | 0.444 | 41% | 0.405 | S | S | . | . | trans | -106.7 | 102.1 | -179.4 | -73.8 | -37.2 | 0 | 0 | 0 | 111.6 | D166 H172 S173 | D166-N170 CarbonylContact O-C 3.58Å; D166-N170 WeakPolarHBondContact O-CA 3.31Å; D166-N170 VanDerWaalsContact O-CB 3.25Å; D166-N170 WeakPolarHBondContact O-CB 3.36Å; D166-N170 PolarHBondContact O-N 3.37Å; D166-N170 VanDerWaalsContact O-N 3.14Å; N170-H172 PolarHBondContact O-N 3.33Å; N170-S173 WeakPolarHBondContact O-CB 3.24Å; N170-S173 PolarHBondContact O-N 3.43Å; N170-S173 VanDerWaalsContact O-N 3.14Å; N170-S173 PolarHBondContact O-OG 3.21Å | ||
| 171 | P | 71.7 | Confident | 80.2 | Confident | 54 Ų | 54 | 78.8 Ų | 78.8 | 35% | 0.351 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -14.3 | 177.4 | 24.6 | -32.5 | 0 | 0 | 0 | 113.4 | D169 K178 A181 | D169-P171 WeakPolarHBondContact O-CD 3.22Å; P171-K178 VanDerWaalsContact O-CG 3.24Å; P171-K178 WeakPolarHBondContact O-CG 3.38Å; P171-K178 PolarHBondContact O-N 3.47Å; P171-A181 HydrophobicContact CB-CB 3.8Å |
| 172 | H | 67.8 | Low | 80.8 | Confident | 101 Ų | 101 | 75.9 Ų | 75.9 | 47% | 0.468 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | 1.9 | 179.8 | -59.4 | -66.3 | 0 | 0 | 0 | 114.3 | N170 G174 Q420 T424 | N170-H172 PolarHBondContact O-N 3.33Å; H172-G174 PolarHBondContact O-N 3.47Å; H172-G174 VanDerWaalsContact O-N 3.09Å; H172-Q420 PolarHBondContact NE2-NE2 3.13Å; H172-Q420 VanDerWaalsContact NE2-NE2 3.17Å; H172-T424 HydrophobicContact CB-CG2 4.39Å |
| 173 | S | 70 | Confident | 81.5 | Confident | 54 Ų | 54 | 70.4 Ų | 70.4 | 38% | 0.378 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -67.5 | -7.9 | -176.7 | 59.9 | 0 | 0 | 0 | 0 | 115 | D166 N170 | D166-S173 WeakPolarHBondContact O-CB 3.45Å; D166-S173 PolarHBondContact O-OG 2.75Å; N170-S173 WeakPolarHBondContact O-CB 3.24Å; N170-S173 PolarHBondContact O-N 3.43Å; N170-S173 VanDerWaalsContact O-N 3.14Å; N170-S173 PolarHBondContact O-OG 3.21Å |
| 174 | G | 81.8 | Confident | 82.2 | Confident | 32 Ų | 32 | 61.8 Ų | 61.8 | 33% | 0.33 | 34% | 0.344 | S | S | . | . | S | Bend | trans | 151.1 | -167.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | H172 A176 G177 K178 | H172-G174 PolarHBondContact O-N 3.47Å; H172-G174 VanDerWaalsContact O-N 3.09Å; G174-A176 VanDerWaalsContact C-N 3.31Å; G174-A176 PolarHBondContact O-N 3.17Å; G174-G177 PolarHBondContact O-N 3.42Å; G174-K178 WeakPolarHBondContact O-CG 3.48Å; G174-K178 PolarHBondContact O-N 3.19Å; G174-K178 VanDerWaalsContact O-N 3.12Å |
| 175 | L | 84.5 | Confident | 82.7 | Confident | 155 Ų | 155 | 61 Ų | 61 | 81% | 0.812 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -59.8 | -41.9 | 177.2 | -166.5 | 92.6 | 0 | 0 | 0 | 111.7 | K178 L179 | L175-K178 PolarHBondContact O-N 3.26Å; L175-L179 WeakPolarHBondContact O-CB 3.45Å; L175-L179 PolarHBondContact O-N 2.97Å |
| 176 | A | 85.2 | Confident | 83.2 | Confident | 54 Ų | 54 | 59.5 Ų | 59.5 | 45% | 0.446 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.3 | -42.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | V167 G174 L179 F180 | V167-A176 HydrophobicContact CG1-CB 4.23Å; V167-A176 HydrophobicContact CG2-CB 4.14Å; G174-A176 VanDerWaalsContact C-N 3.31Å; G174-A176 PolarHBondContact O-N 3.17Å; A176-L179 PolarHBondContact O-N 3.38Å; A176-F180 WeakPolarHBondContact O-CB 3.37Å; A176-F180 PolarHBondContact O-N 3.41Å |
| 177 | G | 85.6 | Confident | 84 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.8 | -40.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | G174 F180 A181 | G174-G177 PolarHBondContact O-N 3.42Å; G177-F180 PolarHBondContact O-N 3.12Å; G177-A181 WeakPolarHBondContact O-CB 3.41Å; G177-A181 PolarHBondContact O-N 3.4Å |
| 178 | K | 87.4 | Confident | 84.5 | Confident | 127 Ų | 127 | 56.8 Ų | 56.8 | 55% | 0.552 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -62.4 | -45.4 | 173.7 | -70.8 | 177.3 | -176.8 | 178.7 | 0 | 111.9 | P171 G174 L175 A181 C182 | P171-K178 VanDerWaalsContact O-CG 3.24Å; P171-K178 WeakPolarHBondContact O-CG 3.38Å; P171-K178 PolarHBondContact O-N 3.47Å; G174-K178 WeakPolarHBondContact O-CG 3.48Å; G174-K178 PolarHBondContact O-N 3.19Å; G174-K178 VanDerWaalsContact O-N 3.12Å; L175-K178 PolarHBondContact O-N 3.26Å; K178-A181 PolarHBondContact O-N 2.92Å; K178-C182 VanDerWaalsContact O-CB 3.26Å; K178-C182 WeakPolarHBondContact O-CB 3.39Å; K178-C182 PolarHBondContact O-N 3.48Å |
| 179 | L | 90 | Very high | 84.9 | Confident | 112 Ų | 112 | 58.8 Ų | 58.8 | 59% | 0.586 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -62.9 | -47.7 | 178.1 | -178.7 | 65.3 | 0 | 0 | 0 | 110.9 | L175 A176 A181 C182 V183 | L175-L179 WeakPolarHBondContact O-CB 3.45Å; L175-L179 PolarHBondContact O-N 2.97Å; A176-L179 PolarHBondContact O-N 3.38Å; L179-A181 PolarHBondContact O-N 3.45Å; L179-C182 WeakPolarHBondContact O-CB 3.31Å; L179-C182 PolarHBondContact O-N 2.76Å; L179-V183 HydrophobicContact CD1-CG2 4.38Å; L179-V183 VanDerWaalsContact O-CG2 3.3Å; L179-V183 WeakPolarHBondContact O-CG2 3.49Å; L179-V183 PolarHBondContact O-N 3.3Å |
| 180 | F | 90.2 | Very high | 85.7 | Confident | 28 Ų | 28 | 58 Ų | 58 | 12% | 0.123 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -58.4 | -49 | 177.7 | -176.2 | -96 | 0 | 0 | 0 | 111.3 | V167 V168 A176 G177 C182 V183 S184 W229 E233 | V167-F180 HydrophobicContact CG1-CB 4.37Å; V168-F180 HydrophobicContact CB-CE1 4.33Å; V168-F180 HydrophobicContact CG1-CE1 4.05Å; V168-F180 HydrophobicContact CG1-CZ 4.28Å; V168-F180 HydrophobicContact CG2-CE1 4.3Å; V168-F180 HydrophobicContact CG2-CZ 4.19Å; A176-F180 WeakPolarHBondContact O-CB 3.37Å; A176-F180 PolarHBondContact O-N 3.41Å; G177-F180 PolarHBondContact O-N 3.12Å; F180-C182 VanDerWaalsContact C-N 3.34Å; F180-C182 PolarHBondContact O-N 3.2Å; F180-V183 PolarHBondContact O-N 3.44Å; F180-S184 PolarHBondContact O-N 3.48Å; F180-S184 PolarHBondContact O-OG 2.98Å; F180-W229 HydrophobicContact CD2-CH2 4.39Å; F180-W229 HydrophobicContact CD2-CZ2 4.27Å; F180-W229 HydrophobicContact CE2-CH2 4.19Å; F180-W229 AromaticContact CE2-CZ2 3.97Å; F180-W229 HydrophobicContact CE2-CZ2 3.97Å; F180-E233 HydrophobicContact CZ-CG 3.92Å |
| 181 | A | 87.6 | Confident | 86.5 | Confident | 17 Ų | 17 | 54.8 Ų | 54.8 | 14% | 0.14 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.7 | -38.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | P171 G177 K178 L179 S184 V185 | P171-A181 HydrophobicContact CB-CB 3.8Å; G177-A181 WeakPolarHBondContact O-CB 3.41Å; G177-A181 PolarHBondContact O-N 3.4Å; K178-A181 PolarHBondContact O-N 2.92Å; L179-A181 PolarHBondContact O-N 3.45Å; A181-S184 PolarHBondContact O-N 3.27Å; A181-V185 WeakPolarHBondContact O-CG2 3.33Å; A181-V185 PolarHBondContact O-N 3.01Å |
| 182 | C | 89.8 | Confident | 87.4 | Confident | 75 Ų | 75 | 53.5 Ų | 53.5 | 51% | 0.507 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.2 | -49.6 | 175.3 | -172.7 | 0 | 0 | 0 | 0 | 110.8 | K178 L179 F180 S184 V185 S186 | K178-C182 VanDerWaalsContact O-CB 3.26Å; K178-C182 WeakPolarHBondContact O-CB 3.39Å; K178-C182 PolarHBondContact O-N 3.48Å; L179-C182 WeakPolarHBondContact O-CB 3.31Å; L179-C182 PolarHBondContact O-N 2.76Å; F180-C182 VanDerWaalsContact C-N 3.34Å; F180-C182 PolarHBondContact O-N 3.2Å; C182-S184 PolarHBondContact O-N 3.31Å; C182-V185 PolarHBondContact O-N 3.32Å; C182-S186 PolarHBondContact O-N 3.48Å; C182-S186 PolarHBondContact O-OG 3.42Å; C182-S186 VanDerWaalsContact O-OG 3.08Å |
| 183 | V | 92 | Very high | 88.5 | Confident | 44 Ų | 44 | 52.9 Ų | 52.9 | 27% | 0.267 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -58.9 | -47.6 | 176.9 | 173 | 0 | 0 | 0 | 0 | 110.8 | L179 F180 V185 S186 F187 W229 | L179-V183 HydrophobicContact CD1-CG2 4.38Å; L179-V183 VanDerWaalsContact O-CG2 3.3Å; L179-V183 WeakPolarHBondContact O-CG2 3.49Å; L179-V183 PolarHBondContact O-N 3.3Å; F180-V183 PolarHBondContact O-N 3.44Å; V183-V185 VanDerWaalsContact C-N 3.33Å; V183-V185 PolarHBondContact O-N 3.44Å; V183-S186 WeakPolarHBondContact O-CB 3.44Å; V183-S186 PolarHBondContact O-N 3.19Å; V183-F187 HydrophobicContact CG1-CD2 3.63Å; V183-F187 HydrophobicContact CG1-CE2 3.6Å; V183-F187 VanDerWaalsContact O-CD2 3.31Å; V183-F187 WeakPolarHBondContact O-CD2 3.28Å; V183-F187 PolarHBondContact O-N 2.96Å; V183-W229 HydrophobicContact CB-CZ2 4.26Å; V183-W229 HydrophobicContact CG1-CH2 3.85Å; V183-W229 HydrophobicContact CG1-CZ2 3.46Å; V183-W229 VanDerWaalsContact CG1-CZ2 3.46Å |
| 184 | S | 90.6 | Very high | 89.4 | Confident | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.007 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -53.8 | -47.1 | 175.7 | -60.3 | 0 | 0 | 0 | 0 | 112.6 | F180 A181 C182 F187 V188 E233 | F180-S184 PolarHBondContact O-N 3.48Å; F180-S184 PolarHBondContact O-OG 2.98Å; A181-S184 PolarHBondContact O-N 3.27Å; C182-S184 PolarHBondContact O-N 3.31Å; S184-F187 PolarHBondContact O-N 3.03Å; S184-V188 WeakPolarHBondContact O-CG2 3.47Å; S184-V188 PolarHBondContact O-N 3.37Å; S184-V188 VanDerWaalsContact O-N 3.1Å; S184-E233 WeakPolarHBondContact CB-OE1 3.43Å; S184-E233 PolarHBondContact OG-OE1 3.22Å |
| 185 | V | 90.9 | Very high | 89.7 | Confident | 55 Ų | 55 | 51.1 Ų | 51.1 | 33% | 0.333 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -67.2 | -40.3 | 179.1 | 171.9 | 0 | 0 | 0 | 0 | 111.5 | A181 C182 V183 F187 V188 A189 L302 H305 | A181-V185 WeakPolarHBondContact O-CG2 3.33Å; A181-V185 PolarHBondContact O-N 3.01Å; C182-V185 PolarHBondContact O-N 3.32Å; V183-V185 VanDerWaalsContact C-N 3.33Å; V183-V185 PolarHBondContact O-N 3.44Å; V185-F187 PolarHBondContact O-N 3.38Å; V185-V188 PolarHBondContact O-N 3.42Å; V185-A189 PolarHBondContact O-N 3.15Å; V185-L302 HydrophobicContact CG1-CD1 4.44Å; V185-H305 HydrophobicContact CG2-CB 3.62Å |
| 186 | S | 92.3 | Very high | 89.8 | Confident | 61 Ų | 61 | 47.5 Ų | 47.5 | 43% | 0.427 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60 | -44.5 | 174.9 | -61.3 | 0 | 0 | 0 | 0 | 111.7 | C182 V183 V188 A189 V190 | C182-S186 PolarHBondContact O-N 3.48Å; C182-S186 PolarHBondContact O-OG 3.42Å; C182-S186 VanDerWaalsContact O-OG 3.08Å; V183-S186 WeakPolarHBondContact O-CB 3.44Å; V183-S186 PolarHBondContact O-N 3.19Å; S186-V188 VanDerWaalsContact C-N 3.34Å; S186-V188 PolarHBondContact O-N 3.48Å; S186-A189 PolarHBondContact O-N 3.4Å; S186-V190 VanDerWaalsContact O-CG2 3.31Å; S186-V190 WeakPolarHBondContact O-CG2 3.38Å; S186-V190 PolarHBondContact O-N 3.36Å |
| 187 | F | 93.1 | Very high | 89.9 | Confident | 48 Ų | 48 | 47.9 Ų | 47.9 | 21% | 0.211 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.1 | -40.2 | 175.6 | -87.8 | -79.2 | 0 | 0 | 0 | 112.2 | V183 S184 V185 V190 T191 V225 C226 W229 F230 | V183-F187 HydrophobicContact CG1-CD2 3.63Å; V183-F187 HydrophobicContact CG1-CE2 3.6Å; V183-F187 VanDerWaalsContact O-CD2 3.31Å; V183-F187 WeakPolarHBondContact O-CD2 3.28Å; V183-F187 PolarHBondContact O-N 2.96Å; S184-F187 PolarHBondContact O-N 3.03Å; V185-F187 PolarHBondContact O-N 3.38Å; F187-V190 PolarHBondContact O-N 3.38Å; F187-T191 WeakPolarHBondContact O-CG2 3.47Å; F187-T191 PolarHBondContact O-N 3.12Å; F187-T191 PolarHBondContact O-OG1 3.04Å; F187-V225 HydrophobicContact CE1-CG1 4.12Å; F187-C226 HydrophobicContact CD1-CB 4.21Å; F187-W229 HydrophobicContact CD1-CB 4.19Å; F187-W229 HydrophobicContact CD1-CG 4.27Å; F187-W229 HydrophobicContact CD2-CB 4.47Å; F187-W229 AromaticContact CD2-CD1 3.5Å; F187-W229 VanDerWaalsContact CD2-CD1 3.5Å; F187-W229 HydrophobicContact CD2-CD2 4.02Å; F187-W229 AromaticContact CD2-CG 3.75Å; F187-W229 HydrophobicContact CD2-CG 3.75Å; F187-W229 AromaticContact CD2-NE1 3.72Å; F187-W229 HydrophobicContact CE1-CB 4.15Å; F187-W229 HydrophobicContact CE1-CG 4.4Å; F187-W229 HydrophobicContact CE2-CB 4.42Å; F187-W229 AromaticContact CE2-CD2 3.88Å; F187-W229 HydrophobicContact CE2-CD2 3.88Å; F187-W229 HydrophobicContact CE2-CE3 4.33Å; F187-W229 AromaticContact CE2-CG 3.87Å; F187-W229 HydrophobicContact CE2-CG 3.87Å; F187-W229 HydrophobicContact CG-CB 4.37Å; F187-W229 AromaticContact CG-CD1 3.6Å; F187-W229 AromaticContact CG-CG 3.97Å; F187-W229 HydrophobicContact CG-CG 3.97Å; F187-W229 HydrophobicContact CZ-CB 4.27Å; F187-W229 HydrophobicContact CZ-CD2 4.45Å; F187-W229 HydrophobicContact CZ-CG 4.21Å; F187-F230 HydrophobicContact CB-CE1 3.63Å; F187-F230 HydrophobicContact CB-CZ 4.12Å |
| 188 | V | 92 | Very high | 89.7 | Confident | 7 Ų | 7 | 49.5 Ų | 49.5 | 4% | 0.042 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.7 | -45.2 | 173.3 | 173.7 | 0 | 0 | 0 | 0 | 111 | S184 V185 S186 T191 A192 F230 R301 L302 | S184-V188 WeakPolarHBondContact O-CG2 3.47Å; S184-V188 PolarHBondContact O-N 3.37Å; S184-V188 VanDerWaalsContact O-N 3.1Å; V185-V188 PolarHBondContact O-N 3.42Å; S186-V188 VanDerWaalsContact C-N 3.34Å; S186-V188 PolarHBondContact O-N 3.48Å; V188-T191 WeakPolarHBondContact CA-OG1 3.47Å; V188-T191 PolarHBondContact O-N 3Å; V188-T191 PolarHBondContact O-OG1 3.26Å; V188-A192 PolarHBondContact O-N 3Å; V188-F230 HydrophobicContact CG2-CE1 4.19Å; V188-F230 HydrophobicContact CG2-CZ 3.99Å; V188-R301 HydrophobicContact CG2-CB 4.31Å; V188-L302 HydrophobicContact CG1-CB 4.32Å |
| 189 | A | 91.8 | Very high | 89.6 | Confident | 53 Ų | 53 | 47.6 Ų | 47.6 | 44% | 0.438 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61.8 | -45.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V185 S186 T191 A192 V193 | V185-A189 PolarHBondContact O-N 3.15Å; S186-A189 PolarHBondContact O-N 3.4Å; A189-T191 VanDerWaalsContact C-N 3.32Å; A189-T191 PolarHBondContact O-N 3.42Å; A189-A192 WeakPolarHBondContact O-CB 3.46Å; A189-A192 PolarHBondContact O-N 2.93Å; A189-A192 VanDerWaalsContact O-N 3.15Å; A189-V193 WeakPolarHBondContact O-CG2 3.42Å; A189-V193 PolarHBondContact O-N 3.23Å |
| 190 | V | 92.8 | Very high | 89.3 | Confident | 57 Ų | 57 | 46.6 Ų | 46.6 | 35% | 0.345 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.5 | -42.2 | 175.4 | 170.8 | 0 | 0 | 0 | 0 | 111.1 | S186 F187 A192 V193 G194 L222 | S186-V190 VanDerWaalsContact O-CG2 3.31Å; S186-V190 WeakPolarHBondContact O-CG2 3.38Å; S186-V190 PolarHBondContact O-N 3.36Å; F187-V190 PolarHBondContact O-N 3.38Å; V190-A192 PolarHBondContact O-N 3.29Å; V190-V193 PolarHBondContact O-N 2.99Å; V190-G194 PolarHBondContact O-N 2.85Å; V190-L222 HydrophobicContact CG1-CD1 3.67Å; V190-L222 HydrophobicContact CG1-CD2 4.02Å; V190-L222 HydrophobicContact CG1-CG 4.04Å |
| 191 | T | 90.6 | Very high | 88.9 | Confident | 16 Ų | 16 | 49.8 Ų | 49.8 | 10% | 0.098 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.3 | -34.9 | 175.4 | 57.2 | 0 | 0 | 0 | 0 | 113.6 | F187 V188 A189 G194 L195 C226 F230 Y298 | F187-T191 WeakPolarHBondContact O-CG2 3.47Å; F187-T191 PolarHBondContact O-N 3.12Å; F187-T191 PolarHBondContact O-OG1 3.04Å; V188-T191 WeakPolarHBondContact CA-OG1 3.47Å; V188-T191 PolarHBondContact O-N 3Å; V188-T191 PolarHBondContact O-OG1 3.26Å; A189-T191 VanDerWaalsContact C-N 3.32Å; A189-T191 PolarHBondContact O-N 3.42Å; T191-G194 PolarHBondContact O-N 3.32Å; T191-L195 WeakPolarHBondContact O-CB 3.27Å; T191-L195 PolarHBondContact O-N 2.95Å; T191-C226 HydrophobicContact CG2-CB 3.29Å; T191-F230 HydrophobicContact CG2-CE2 3.59Å; T191-F230 HydrophobicContact CG2-CZ 3.79Å; T191-Y298 HydrophobicContact CG2-CD2 4.3Å |
| 192 | A | 90.4 | Very high | 88.5 | Confident | 27 Ų | 27 | 54.7 Ų | 54.7 | 22% | 0.223 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -65.7 | -45.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111 | V188 A189 V190 L195 C196 V299 | V188-A192 PolarHBondContact O-N 3Å; A189-A192 WeakPolarHBondContact O-CB 3.46Å; A189-A192 PolarHBondContact O-N 2.93Å; A189-A192 VanDerWaalsContact O-N 3.15Å; V190-A192 PolarHBondContact O-N 3.29Å; A192-L195 WeakPolarHBondContact O-CB 3.13Å; A192-L195 PolarHBondContact O-N 2.84Å; A192-C196 PolarHBondContact O-N 2.73Å; A192-C196 PolarHBondContact O-SG 3.3Å; A192-C196 VanDerWaalsContact O-SG 3.34Å; A192-V299 HydrophobicContact CB-CG2 3.98Å |
| 193 | V | 90.8 | Very high | 87.7 | Confident | 88 Ų | 88 | 52.4 Ų | 52.4 | 53% | 0.533 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.5 | -44.4 | 174.4 | 176.1 | 0 | 0 | 0 | 0 | 110.8 | A189 V190 L195 C196 L197 | A189-V193 WeakPolarHBondContact O-CG2 3.42Å; A189-V193 PolarHBondContact O-N 3.23Å; V190-V193 PolarHBondContact O-N 2.99Å; V193-L195 VanDerWaalsContact C-N 3.29Å; V193-L195 PolarHBondContact O-N 2.82Å; V193-C196 WeakPolarHBondContact O-CB 3.33Å; V193-C196 PolarHBondContact O-N 3.49Å; V193-C196 VanDerWaalsContact O-N 3.14Å; V193-L197 HydrophobicContact CG1-CD1 4.14Å; V193-L197 HydrophobicContact CG1-CG 4.36Å; V193-L197 WeakPolarHBondContact O-CG 3.41Å; V193-L197 PolarHBondContact O-N 2.95Å |
| 194 | G | 88.6 | Confident | 86.9 | Confident | 12 Ų | 12 | 55.8 Ų | 55.8 | 12% | 0.124 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -58.2 | -39.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | V190 T191 L197 S198 | V190-G194 PolarHBondContact O-N 2.85Å; T191-G194 PolarHBondContact O-N 3.32Å; G194-L197 PolarHBondContact O-N 3.27Å; G194-S198 WeakPolarHBondContact O-CB 3.48Å; G194-S198 PolarHBondContact O-N 2.97Å |
| 195 | L | 86.6 | Confident | 86.1 | Confident | 37 Ų | 37 | 57.9 Ų | 57.9 | 19% | 0.194 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.3 | -47.5 | 173.6 | -178.3 | 63.6 | 0 | 0 | 0 | 111.1 | T191 A192 V193 L197 S198 T199 R295 V296 | T191-L195 WeakPolarHBondContact O-CB 3.27Å; T191-L195 PolarHBondContact O-N 2.95Å; A192-L195 WeakPolarHBondContact O-CB 3.13Å; A192-L195 PolarHBondContact O-N 2.84Å; V193-L195 VanDerWaalsContact C-N 3.29Å; V193-L195 PolarHBondContact O-N 2.82Å; L195-L197 PolarHBondContact O-N 2.91Å; L195-S198 PolarHBondContact O-N 2.96Å; L195-S198 PolarHBondContact O-OG 3.48Å; L195-T199 WeakPolarHBondContact O-CG2 3.41Å; L195-T199 PolarHBondContact O-N 3.17Å; L195-R295 HydrophobicContact CD1-CB 3.79Å; L195-V296 HydrophobicContact CD2-CB 4.28Å; L195-V296 HydrophobicContact CD2-CG2 4.4Å |
| 196 | C | 87.8 | Confident | 85.2 | Confident | 79 Ų | 79 | 58 Ų | 58 | 53% | 0.534 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -57.6 | -47 | 175.8 | -65.9 | 0 | 0 | 0 | 0 | 111.8 | A192 V193 S198 T199 | A192-C196 PolarHBondContact O-N 2.73Å; A192-C196 PolarHBondContact O-SG 3.3Å; A192-C196 VanDerWaalsContact O-SG 3.34Å; V193-C196 WeakPolarHBondContact O-CB 3.33Å; V193-C196 PolarHBondContact O-N 3.49Å; V193-C196 VanDerWaalsContact O-N 3.14Å; C196-S198 VanDerWaalsContact C-N 3.34Å; C196-S198 PolarHBondContact O-N 3.13Å; C196-T199 PolarHBondContact O-N 2.91Å; C196-T199 VanDerWaalsContact O-N 3.15Å; C196-T199 PolarHBondContact O-OG1 3.2Å |
| 197 | L | 88.1 | Confident | 84 | Confident | 62 Ų | 62 | 59.3 Ų | 59.3 | 33% | 0.325 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61 | -42.5 | 176.9 | -66.1 | 175.6 | 0 | 0 | 0 | 111.6 | V193 G194 L195 T199 M200 I203 L219 | V193-L197 HydrophobicContact CG1-CD1 4.14Å; V193-L197 HydrophobicContact CG1-CG 4.36Å; V193-L197 WeakPolarHBondContact O-CG 3.41Å; V193-L197 PolarHBondContact O-N 2.95Å; G194-L197 PolarHBondContact O-N 3.27Å; L195-L197 PolarHBondContact O-N 2.91Å; L197-T199 PolarHBondContact O-N 2.85Å; L197-T199 VanDerWaalsContact O-N 3.14Å; L197-M200 HydrophobicContact CD2-CE 3.87Å; L197-M200 HydrophobicContact CD2-SD 3.97Å; L197-M200 WeakPolarHBondContact O-CB 3.45Å; L197-M200 PolarHBondContact O-N 2.97Å; L197-I203 HydrophobicContact CB-CD1 4.44Å; L197-I203 WeakPolarHBondContact O-CD1 3.48Å; L197-L219 HydrophobicContact CB-CD2 4.14Å; L197-L219 HydrophobicContact CD1-CD2 4.23Å |
| 198 | S | 81.4 | Confident | 82.7 | Confident | 33 Ų | 33 | 63.9 Ų | 63.9 | 23% | 0.231 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -63 | -20.7 | 178.3 | 75 | 0 | 0 | 0 | 0 | 113.9 | G194 L195 C196 | G194-S198 WeakPolarHBondContact O-CB 3.48Å; G194-S198 PolarHBondContact O-N 2.97Å; L195-S198 PolarHBondContact O-N 2.96Å; L195-S198 PolarHBondContact O-OG 3.48Å; C196-S198 VanDerWaalsContact C-N 3.34Å; C196-S198 PolarHBondContact O-N 3.13Å |
| 199 | T | 83.5 | Confident | 81.4 | Confident | 87 Ų | 87 | 73.1 Ų | 73.1 | 53% | 0.534 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -9.3 | 177.1 | 59.7 | 0 | 0 | 0 | 0 | 114.1 | L195 C196 L197 | L195-T199 WeakPolarHBondContact O-CG2 3.41Å; L195-T199 PolarHBondContact O-N 3.17Å; C196-T199 PolarHBondContact O-N 2.91Å; C196-T199 VanDerWaalsContact O-N 3.15Å; C196-T199 PolarHBondContact O-OG1 3.2Å; L197-T199 PolarHBondContact O-N 2.85Å; L197-T199 VanDerWaalsContact O-N 3.14Å |
| 200 | M | 85.4 | Confident | 79.9 | Confident | 91 Ų | 91 | 73.7 Ų | 73.7 | 45% | 0.448 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -64.5 | 138.7 | -178.7 | -71 | -173.3 | 169.9 | 0 | 0 | 111.7 | L197 D202 I203 R204 | L197-M200 HydrophobicContact CD2-CE 3.87Å; L197-M200 HydrophobicContact CD2-SD 3.97Å; L197-M200 WeakPolarHBondContact O-CB 3.45Å; L197-M200 PolarHBondContact O-N 2.97Å; M200-D202 VanDerWaalsContact C-N 3.3Å; M200-D202 PolarHBondContact O-N 3.35Å; M200-I203 HydrophobicContact CB-CD1 4.3Å; M200-I203 PolarHBondContact O-N 3.36Å; M200-R204 WeakPolarHBondContact O-CG 3.36Å; M200-R204 PolarHBondContact O-N 3.29Å |
| 201 | P | 81.2 | Confident | 78.4 | Confident | 95 Ų | 95 | 77.3 Ų | 77.3 | 62% | 0.617 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -61.4 | -37.1 | -173.1 | 24.4 | -33.7 | 0 | 0 | 0 | 112.6 | I203 R204 A205 | P201-I203 PolarHBondContact O-N 3.43Å; P201-R204 PolarHBondContact O-N 3.38Å; P201-A205 VanDerWaalsContact O-CB 3.29Å; P201-A205 WeakPolarHBondContact O-CB 3.48Å; P201-A205 PolarHBondContact O-N 3.02Å |
| 202 | D | 78.4 | Confident | 77 | Confident | 120 Ų | 120 | 80.5 Ų | 80.5 | 64% | 0.642 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -62.2 | -44.5 | 179.1 | -57.7 | -22.8 | 0 | 0 | 0 | 111.5 | M200 A205 E206 | M200-D202 VanDerWaalsContact C-N 3.3Å; M200-D202 PolarHBondContact O-N 3.35Å; D202-A205 PolarHBondContact O-N 3.17Å; D202-E206 WeakPolarHBondContact O-CG 3.36Å; D202-E206 PolarHBondContact O-N 3.41Å; D202-E206 VanDerWaalsContact O-N 3.13Å |
| 203 | I | 74.6 | Confident | 76.1 | Confident | 27 Ų | 27 | 80.5 Ų | 80.5 | 14% | 0.138 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -70.7 | -37.4 | 179.6 | -65.5 | 166 | 0 | 0 | 0 | 110.5 | L197 M200 P201 E207 L219 | L197-I203 HydrophobicContact CB-CD1 4.44Å; L197-I203 WeakPolarHBondContact O-CD1 3.48Å; M200-I203 HydrophobicContact CB-CD1 4.3Å; M200-I203 PolarHBondContact O-N 3.36Å; P201-I203 PolarHBondContact O-N 3.43Å; I203-E207 WeakPolarHBondContact O-CB 3.4Å; I203-E207 PolarHBondContact O-N 2.94Å; I203-L219 HydrophobicContact CD1-CD1 3.9Å; I203-L219 HydrophobicContact CG2-CD1 4.02Å |
| 204 | R | 74.9 | Confident | 75.6 | Confident | 115 Ų | 115 | 81.1 Ų | 81.1 | 43% | 0.434 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -68.5 | -39 | 176.7 | -71.8 | -172.5 | 63.1 | -175.3 | -5.5 | 112.7 | M200 P201 E207 E208 | M200-R204 WeakPolarHBondContact O-CG 3.36Å; M200-R204 PolarHBondContact O-N 3.29Å; P201-R204 PolarHBondContact O-N 3.38Å; R204-E207 PolarHBondContact O-N 3.06Å; R204-E208 IonicContact NH2-OE1 3.71Å; R204-E208 WeakPolarHBondContact O-CB 3.1Å; R204-E208 WeakPolarHBondContact O-CG 3.22Å; R204-E208 PolarHBondContact O-N 3.32Å |
| 205 | A | 73.6 | Confident | 75.1 | Confident | 46 Ų | 46 | 86.8 Ų | 86.8 | 38% | 0.38 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -67.2 | -37.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | P201 D202 R209 | P201-A205 VanDerWaalsContact O-CB 3.29Å; P201-A205 WeakPolarHBondContact O-CB 3.48Å; P201-A205 PolarHBondContact O-N 3.02Å; D202-A205 PolarHBondContact O-N 3.17Å; A205-R209 WeakPolarHBondContact O-CG 3.43Å; A205-R209 PolarHBondContact O-N 2.77Å |
| 206 | E | 70.9 | Confident | 74.7 | Confident | 57 Ų | 57 | 86.7 Ų | 86.7 | 27% | 0.266 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.6 | -43.6 | 171.8 | -73.6 | -179.9 | -174.6 | 0 | 0 | 111.6 | D202 E208 R209 G210 S213 | D202-E206 WeakPolarHBondContact O-CG 3.36Å; D202-E206 PolarHBondContact O-N 3.41Å; D202-E206 VanDerWaalsContact O-N 3.13Å; E206-E208 PolarHBondContact O-N 2.95Å; E206-R209 PolarHBondContact O-N 3.34Å; E206-G210 PolarHBondContact O-N 3.26Å; E206-S213 WeakPolarHBondContact OE2-CB 3.47Å; E206-S213 PolarHBondContact OE2-OG 3.13Å |
| 207 | E | 67.1 | Low | 74.5 | Confident | 88 Ų | 88 | 90.7 Ų | 90.7 | 41% | 0.411 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.9 | -41.7 | 177.8 | -165.9 | -170.9 | 161.5 | 0 | 0 | 112.3 | I203 R204 R209 G210 R292 | I203-E207 WeakPolarHBondContact O-CB 3.4Å; I203-E207 PolarHBondContact O-N 2.94Å; R204-E207 PolarHBondContact O-N 3.06Å; E207-R209 VanDerWaalsContact C-N 3.32Å; E207-R209 PolarHBondContact O-N 3.28Å; E207-G210 PolarHBondContact O-N 3.43Å; E207-R292 IonicContact OE1-CZ 3.78Å; E207-R292 IonicContact OE1-NH1 3.07Å; E207-R292 IonicContact OE1-NH2 3.63Å; E207-R292 PolarHBondContact OE1-NH2 2.92Å |
| 208 | E | 66.8 | Low | 74.4 | Confident | 145 Ų | 145 | 91.4 Ų | 91.4 | 68% | 0.678 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -70.2 | -25.8 | 179.3 | -74 | 177.2 | -173.8 | 0 | 0 | 113.2 | R204 E206 G210 | R204-E208 IonicContact NH2-OE1 3.71Å; R204-E208 WeakPolarHBondContact O-CB 3.1Å; R204-E208 WeakPolarHBondContact O-CG 3.22Å; R204-E208 PolarHBondContact O-N 3.32Å; E206-E208 PolarHBondContact O-N 2.95Å; E208-G210 VanDerWaalsContact C-N 3.31Å |
| 209 | R | 64.4 | Low | 74.6 | Confident | 200 Ų | 200 | 91.4 Ų | 91.4 | 76% | 0.755 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -9.5 | 173.4 | -76.6 | 179.7 | -175.1 | -93.8 | -1.5 | 113.7 | A205 E206 E207 E211 | A205-R209 WeakPolarHBondContact O-CG 3.43Å; A205-R209 PolarHBondContact O-N 2.77Å; E206-R209 PolarHBondContact O-N 3.34Å; E207-R209 VanDerWaalsContact C-N 3.32Å; E207-R209 PolarHBondContact O-N 3.28Å; R209-E211 PolarHBondContact O-N 3.24Å |
| 210 | G | 60.8 | Low | 74.7 | Confident | 65 Ų | 65 | 92.6 Ų | 92.6 | 67% | 0.67 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.9 | 7.5 | -178 | 0 | 0 | 0 | 0 | 0 | 114.3 | E206 E207 E208 C212 | E206-G210 PolarHBondContact O-N 3.26Å; E207-G210 PolarHBondContact O-N 3.43Å; E208-G210 VanDerWaalsContact C-N 3.31Å; G210-C212 PolarHBondContact O-N 2.93Å |
| 211 | E | 61.1 | Low | 74.9 | Confident | 134 Ų | 134 | 92.1 Ų | 92.1 | 63% | 0.626 | 48% | 0.483 | S | S | * | . | trans | -84.1 | 101.9 | 175.7 | -69.7 | 179.4 | 176.8 | 0 | 0 | 108.5 | R209 S213 | R209-E211 PolarHBondContact O-N 3.24Å; E211-S213 PolarHBondContact O-N 3.38Å | ||
| 212 | C | 60.4 | Low | 75.3 | Confident | 83 Ų | 83 | 90.7 Ų | 90.7 | 56% | 0.561 | 47% | 0.469 | S | S | * | . | trans | -78.5 | 75 | -178 | -148.8 | 0 | 0 | 0 | 0 | 110.6 | G210 | G210-C212 PolarHBondContact O-N 2.93Š| ||
| 213 | S | 71.8 | Confident | 75.8 | Confident | 26 Ų | 26 | 86.5 Ų | 86.5 | 18% | 0.182 | 45% | 0.446 | C | S | . | . | trans | -49.5 | 148.5 | 171.6 | 169.5 | 0 | 0 | 0 | 0 | 111.3 | E206 E211 K215 C216 R217 | E206-S213 WeakPolarHBondContact OE2-CB 3.47Å; E206-S213 PolarHBondContact OE2-OG 3.13Å; E211-S213 PolarHBondContact O-N 3.38Å; S213-K215 PolarHBondContact O-N 3.17Å; S213-C216 WeakPolarHBondContact O-CB 3.27Å; S213-C216 PolarHBondContact O-N 3.13Å; S213-R217 PolarHBondContact O-N 2.95Å | ||
| 214 | P | 79.4 | Confident | 76.6 | Confident | 102 Ų | 102 | 87.4 Ų | 87.4 | 66% | 0.662 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -55.4 | -26.2 | 178.1 | 22.2 | -34.2 | 0 | 0 | 0 | 113.1 | S218 | P214-S218 WeakPolarHBondContact O-CB 3.07Å; P214-S218 PolarHBondContact O-N 2.91Å; P214-S218 PolarHBondContact O-OG 3.31Å |
| 215 | K | 79 | Confident | 77.5 | Confident | 131 Ų | 131 | 85.5 Ų | 85.5 | 57% | 0.57 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -66.7 | -45 | 174.6 | -65.6 | 178.1 | -177.7 | 170.7 | 0 | 112.3 | S213 R217 S218 L219 | S213-K215 PolarHBondContact O-N 3.17Å; K215-R217 VanDerWaalsContact C-N 3.35Å; K215-R217 PolarHBondContact O-N 3.1Å; K215-S218 PolarHBondContact O-N 3.13Å; K215-L219 WeakPolarHBondContact O-CG 3.36Å; K215-L219 PolarHBondContact O-N 3.34Å |
| 216 | C | 77.7 | Confident | 78.3 | Confident | 34 Ų | 34 | 83.4 Ų | 83.4 | 23% | 0.23 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -60.3 | -45.5 | 176.4 | -178.3 | 0 | 0 | 0 | 0 | 111 | S213 S218 L219 F220 | S213-C216 WeakPolarHBondContact O-CB 3.27Å; S213-C216 PolarHBondContact O-N 3.13Å; C216-S218 VanDerWaalsContact C-N 3.35Å; C216-S218 PolarHBondContact O-N 3.1Å; C216-L219 PolarHBondContact O-N 3.14Å; C216-F220 PolarHBondContact O-N 3.12Å |
| 217 | R | 83.2 | Confident | 79.4 | Confident | 163 Ų | 163 | 80.7 Ų | 80.7 | 62% | 0.615 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -60.6 | -43.4 | 175.3 | -171.4 | 178.4 | -61.6 | -179.7 | 2.4 | 112.1 | S213 K215 F220 V221 | S213-R217 PolarHBondContact O-N 2.95Å; K215-R217 VanDerWaalsContact C-N 3.35Å; K215-R217 PolarHBondContact O-N 3.1Å; R217-F220 PolarHBondContact O-N 3.36Å; R217-V221 VanDerWaalsContact O-CG2 3.29Å; R217-V221 WeakPolarHBondContact O-CG2 3.2Å; R217-V221 PolarHBondContact O-N 3.48Å |
| 218 | S | 87.1 | Confident | 80.6 | Confident | 78 Ų | 78 | 79.2 Ų | 79.2 | 55% | 0.545 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -64.5 | -40.7 | 179.1 | -58.5 | 0 | 0 | 0 | 0 | 112.1 | P214 K215 C216 V221 L222 | P214-S218 WeakPolarHBondContact O-CB 3.07Å; P214-S218 PolarHBondContact O-N 2.91Å; P214-S218 PolarHBondContact O-OG 3.31Å; K215-S218 PolarHBondContact O-N 3.13Å; C216-S218 VanDerWaalsContact C-N 3.35Å; C216-S218 PolarHBondContact O-N 3.1Å; S218-V221 PolarHBondContact O-N 3.09Å; S218-L222 WeakPolarHBondContact O-CB 3.39Å; S218-L222 PolarHBondContact O-N 2.91Å |
| 219 | L | 85.4 | Confident | 82 | Confident | 33 Ų | 33 | 75.1 Ų | 75.1 | 17% | 0.173 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -66.5 | -40.4 | 175.5 | -74.5 | 170.8 | 0 | 0 | 0 | 112.2 | L197 I203 K215 C216 L222 E223 | L197-L219 HydrophobicContact CB-CD2 4.14Å; L197-L219 HydrophobicContact CD1-CD2 4.23Å; I203-L219 HydrophobicContact CD1-CD1 3.9Å; I203-L219 HydrophobicContact CG2-CD1 4.02Å; K215-L219 WeakPolarHBondContact O-CG 3.36Å; K215-L219 PolarHBondContact O-N 3.34Å; C216-L219 PolarHBondContact O-N 3.14Å; L219-L222 WeakPolarHBondContact O-CB 3.38Å; L219-L222 PolarHBondContact O-N 3.33Å; L219-E223 WeakPolarHBondContact O-CB 3.44Å; L219-E223 PolarHBondContact O-N 3.02Å |
| 220 | F | 84.5 | Confident | 83.3 | Confident | 111 Ų | 111 | 65.7 Ų | 65.7 | 49% | 0.487 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64.4 | -42.2 | 174.9 | 179.6 | -99.3 | 0 | 0 | 0 | 112.3 | C216 R217 E223 T224 F263 | C216-F220 PolarHBondContact O-N 3.12Å; R217-F220 PolarHBondContact O-N 3.36Å; F220-E223 PolarHBondContact O-N 3.09Å; F220-T224 WeakPolarHBondContact O-CB 2.68Å; F220-T224 PolarHBondContact O-N 3.08Å; F220-T224 PolarHBondContact O-OG1 3.45Å; F220-F263 HydrophobicContact CE2-CE2 4.2Å; F220-F263 HydrophobicContact CZ-CE2 4.44Å |
| 221 | V | 89.6 | Confident | 84.9 | Confident | 81 Ų | 81 | 63.7 Ų | 63.7 | 49% | 0.491 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.4 | -45.8 | 174.4 | 170.5 | 0 | 0 | 0 | 0 | 110.4 | R217 S218 E223 T224 V225 | R217-V221 VanDerWaalsContact O-CG2 3.29Å; R217-V221 WeakPolarHBondContact O-CG2 3.2Å; R217-V221 PolarHBondContact O-N 3.48Å; S218-V221 PolarHBondContact O-N 3.09Å; V221-E223 PolarHBondContact O-N 2.92Å; V221-T224 WeakPolarHBondContact O-CB 3.34Å; V221-T224 PolarHBondContact O-N 3.26Å; V221-V225 HydrophobicContact CG1-CG2 4.38Å; V221-V225 WeakPolarHBondContact O-CG2 3.45Å; V221-V225 PolarHBondContact O-N 3.29Å |
| 222 | L | 90.1 | Very high | 86.5 | Confident | 65 Ų | 65 | 62 Ų | 62 | 34% | 0.34 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -57.1 | -50.7 | 176.3 | -174.7 | 70.9 | 0 | 0 | 0 | 111.2 | V190 S218 L219 T224 V225 C226 | V190-L222 HydrophobicContact CG1-CD1 3.67Å; V190-L222 HydrophobicContact CG1-CD2 4.02Å; V190-L222 HydrophobicContact CG1-CG 4.04Å; S218-L222 WeakPolarHBondContact O-CB 3.39Å; S218-L222 PolarHBondContact O-N 2.91Å; L219-L222 WeakPolarHBondContact O-CB 3.38Å; L219-L222 PolarHBondContact O-N 3.33Å; L222-T224 VanDerWaalsContact C-N 3.31Å; L222-T224 PolarHBondContact O-N 3.41Å; L222-V225 PolarHBondContact O-N 2.83Å; L222-C226 PolarHBondContact O-N 3.48Å; L222-C226 PolarHBondContact O-SG 3.15Å |
| 223 | E | 89.3 | Confident | 88 | Confident | 33 Ų | 33 | 58 Ų | 58 | 15% | 0.154 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -57.3 | -45.2 | 177.2 | -173.8 | 177.5 | 172.8 | 0 | 0 | 111 | L219 F220 V221 V225 C226 V227 F263 R295 | L219-E223 WeakPolarHBondContact O-CB 3.44Å; L219-E223 PolarHBondContact O-N 3.02Å; F220-E223 PolarHBondContact O-N 3.09Å; V221-E223 PolarHBondContact O-N 2.92Å; E223-V225 PolarHBondContact O-N 3.18Å; E223-C226 PolarHBondContact O-N 3.32Å; E223-V227 HydrophobicContact CG-CG2 4.37Å; E223-V227 WeakPolarHBondContact O-CB 3.3Å; E223-V227 VanDerWaalsContact O-CG2 3.3Å; E223-V227 WeakPolarHBondContact O-CG2 3.46Å; E223-V227 PolarHBondContact O-N 3.41Å; E223-F263 HydrophobicContact CG-CD2 4.25Å; E223-R295 VanDerWaalsContact CD-NH1 3.34Å; E223-R295 IonicContact OE1-CZ 2.72Å; E223-R295 IonicContact OE1-NE 3.67Å; E223-R295 PolarHBondContact OE1-NE 3.46Å; E223-R295 IonicContact OE1-NH1 3.6Å; E223-R295 PolarHBondContact OE1-NH1 3.4Å; E223-R295 IonicContact OE1-NH2 2.84Å; E223-R295 PolarHBondContact OE1-NH2 2.94Å; E223-R295 IonicContact OE2-CZ 3.26Å; E223-R295 VanDerWaalsContact OE2-CZ 3.27Å; E223-R295 IonicContact OE2-NH1 2.93Å; E223-R295 PolarHBondContact OE2-NH1 3.31Å; E223-R295 IonicContact OE2-NH2 3.46Å; E223-R295 PolarHBondContact OE2-NH2 3.38Å |
| 224 | T | 90.5 | Very high | 88.9 | Confident | 46 Ų | 46 | 58.4 Ų | 58.4 | 28% | 0.282 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61 | -45.3 | 178.6 | -58.5 | 0 | 0 | 0 | 0 | 111.9 | F220 V221 L222 V227 A228 F263 | F220-T224 WeakPolarHBondContact O-CB 2.68Å; F220-T224 PolarHBondContact O-N 3.08Å; F220-T224 PolarHBondContact O-OG1 3.45Å; V221-T224 WeakPolarHBondContact O-CB 3.34Å; V221-T224 PolarHBondContact O-N 3.26Å; L222-T224 VanDerWaalsContact C-N 3.31Å; L222-T224 PolarHBondContact O-N 3.41Å; T224-V227 PolarHBondContact O-N 2.94Å; T224-A228 VanDerWaalsContact O-CB 3.23Å; T224-A228 WeakPolarHBondContact O-CB 3.38Å; T224-A228 PolarHBondContact O-N 3.25Å; T224-F263 HydrophobicContact CG2-CZ 4Å |
| 225 | V | 93.8 | Very high | 89.5 | Confident | 74 Ų | 74 | 58.1 Ų | 58.1 | 45% | 0.448 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.5 | -43.8 | 178.3 | 173.4 | 0 | 0 | 0 | 0 | 110.8 | F187 V221 L222 E223 A228 W229 | F187-V225 HydrophobicContact CE1-CG1 4.12Å; V221-V225 HydrophobicContact CG1-CG2 4.38Å; V221-V225 WeakPolarHBondContact O-CG2 3.45Å; V221-V225 PolarHBondContact O-N 3.29Å; L222-V225 PolarHBondContact O-N 2.83Å; E223-V225 PolarHBondContact O-N 3.18Å; V225-A228 PolarHBondContact O-N 3.16Å; V225-W229 PolarHBondContact O-N 3.45Å |
| 226 | C | 92.4 | Very high | 90 | Very high | 2 Ų | 2 | 53.1 Ų | 53.1 | 1% | 0.014 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.5 | -45.6 | 177.8 | -63.5 | 0 | 0 | 0 | 0 | 112.3 | F187 T191 L222 E223 A228 W229 F230 | F187-C226 HydrophobicContact CD1-CB 4.21Å; T191-C226 HydrophobicContact CG2-CB 3.29Å; L222-C226 PolarHBondContact O-N 3.48Å; L222-C226 PolarHBondContact O-SG 3.15Å; E223-C226 PolarHBondContact O-N 3.32Å; C226-A228 VanDerWaalsContact C-N 3.34Å; C226-A228 PolarHBondContact O-N 3.02Å; C226-W229 WeakPolarHBondContact O-CB 3.39Å; C226-W229 PolarHBondContact O-N 3.08Å; C226-F230 WeakPolarHBondContact O-CD1 3.18Å; C226-F230 WeakPolarHBondContact O-CD2 3.27Å; C226-F230 WeakPolarHBondContact O-CG 3.31Å; C226-F230 PolarHBondContact O-N 2.87Å |
| 227 | V | 92.3 | Very high | 90.5 | Very high | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.006 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.1 | -40.3 | 176.9 | 171.9 | 0 | 0 | 0 | 0 | 110.6 | E223 T224 W229 F230 S231 L260 F263 Y264 Y298 | E223-V227 HydrophobicContact CG-CG2 4.37Å; E223-V227 WeakPolarHBondContact O-CB 3.3Å; E223-V227 VanDerWaalsContact O-CG2 3.3Å; E223-V227 WeakPolarHBondContact O-CG2 3.46Å; E223-V227 PolarHBondContact O-N 3.41Å; T224-V227 PolarHBondContact O-N 2.94Å; V227-W229 VanDerWaalsContact C-N 3.34Å; V227-W229 PolarHBondContact O-N 2.99Å; V227-F230 PolarHBondContact O-N 2.98Å; V227-S231 WeakPolarHBondContact O-CB 3.4Å; V227-S231 PolarHBondContact O-N 3.34Å; V227-S231 PolarHBondContact O-OG 3.24Å; V227-S231 VanDerWaalsContact O-OG 3.14Å; V227-L260 HydrophobicContact CG1-CD2 3.95Å; V227-F263 HydrophobicContact CB-CD1 4.35Å; V227-F263 HydrophobicContact CB-CG 4.26Å; V227-F263 HydrophobicContact CG1-CB 4.08Å; V227-F263 HydrophobicContact CG1-CD1 3.7Å; V227-F263 HydrophobicContact CG1-CE1 4.33Å; V227-F263 HydrophobicContact CG1-CG 3.91Å; V227-F263 HydrophobicContact CG2-CB 4Å; V227-F263 HydrophobicContact CG2-CD2 4.26Å; V227-F263 HydrophobicContact CG2-CG 4.05Å; V227-Y264 HydrophobicContact CG1-CE2 4.02Å; V227-Y298 HydrophobicContact CG2-CE2 4.13Å |
| 228 | A | 94 | Very high | 90.8 | Very high | 56 Ų | 56 | 45.2 Ų | 45.2 | 46% | 0.463 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -59.7 | -44.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | T224 V225 C226 S231 F232 | T224-A228 VanDerWaalsContact O-CB 3.23Å; T224-A228 WeakPolarHBondContact O-CB 3.38Å; T224-A228 PolarHBondContact O-N 3.25Å; V225-A228 PolarHBondContact O-N 3.16Å; C226-A228 VanDerWaalsContact C-N 3.34Å; C226-A228 PolarHBondContact O-N 3.02Å; A228-S231 PolarHBondContact O-N 2.95Å; A228-F232 WeakPolarHBondContact O-CB 3.39Å; A228-F232 PolarHBondContact O-N 2.88Å |
| 229 | W | 94.4 | Very high | 90.8 | Very high | 60 Ų | 60 | 45.9 Ų | 45.9 | 23% | 0.227 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.2 | -44.8 | 173.6 | 179.1 | -101.1 | 0 | 0 | 0 | 111.7 | F180 V183 F187 V225 C226 V227 F232 E233 | F180-W229 HydrophobicContact CD2-CH2 4.39Å; F180-W229 HydrophobicContact CD2-CZ2 4.27Å; F180-W229 HydrophobicContact CE2-CH2 4.19Å; F180-W229 AromaticContact CE2-CZ2 3.97Å; F180-W229 HydrophobicContact CE2-CZ2 3.97Å; V183-W229 HydrophobicContact CB-CZ2 4.26Å; V183-W229 HydrophobicContact CG1-CH2 3.85Å; V183-W229 HydrophobicContact CG1-CZ2 3.46Å; V183-W229 VanDerWaalsContact CG1-CZ2 3.46Å; F187-W229 HydrophobicContact CD1-CB 4.19Å; F187-W229 HydrophobicContact CD1-CG 4.27Å; F187-W229 HydrophobicContact CD2-CB 4.47Å; F187-W229 AromaticContact CD2-CD1 3.5Å; F187-W229 VanDerWaalsContact CD2-CD1 3.5Å; F187-W229 HydrophobicContact CD2-CD2 4.02Å; F187-W229 AromaticContact CD2-CG 3.75Å; F187-W229 HydrophobicContact CD2-CG 3.75Å; F187-W229 AromaticContact CD2-NE1 3.72Å; F187-W229 HydrophobicContact CE1-CB 4.15Å; F187-W229 HydrophobicContact CE1-CG 4.4Å; F187-W229 HydrophobicContact CE2-CB 4.42Å; F187-W229 AromaticContact CE2-CD2 3.88Å; F187-W229 HydrophobicContact CE2-CD2 3.88Å; F187-W229 HydrophobicContact CE2-CE3 4.33Å; F187-W229 AromaticContact CE2-CG 3.87Å; F187-W229 HydrophobicContact CE2-CG 3.87Å; F187-W229 HydrophobicContact CG-CB 4.37Å; F187-W229 AromaticContact CG-CD1 3.6Å; F187-W229 AromaticContact CG-CG 3.97Å; F187-W229 HydrophobicContact CG-CG 3.97Å; F187-W229 HydrophobicContact CZ-CB 4.27Å; F187-W229 HydrophobicContact CZ-CD2 4.45Å; F187-W229 HydrophobicContact CZ-CG 4.21Å; V225-W229 PolarHBondContact O-N 3.45Å; C226-W229 WeakPolarHBondContact O-CB 3.39Å; C226-W229 PolarHBondContact O-N 3.08Å; V227-W229 VanDerWaalsContact C-N 3.34Å; V227-W229 PolarHBondContact O-N 2.99Å; W229-F232 HydrophobicContact CE3-CD1 4.34Å; W229-F232 HydrophobicContact CZ3-CD1 4.27Å; W229-F232 HydrophobicContact CZ3-CE1 4.37Å; W229-F232 WeakPolarHBondContact O-CB 3.44Å; W229-F232 PolarHBondContact O-N 2.89Å; W229-E233 PolarHBondContact NE1-OE1 2.97Å; W229-E233 WeakPolarHBondContact O-CG 3.45Å; W229-E233 PolarHBondContact O-N 3.44Å |
| 230 | F | 92.9 | Very high | 90.8 | Very high | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.009 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.8 | -41.4 | 179.5 | -62.9 | -17.6 | 0 | 0 | 0 | 113.3 | F187 V188 T191 C226 V227 F232 E233 F234 L260 Y298 | F187-F230 HydrophobicContact CB-CE1 3.63Å; F187-F230 HydrophobicContact CB-CZ 4.12Å; V188-F230 HydrophobicContact CG2-CE1 4.19Å; V188-F230 HydrophobicContact CG2-CZ 3.99Å; T191-F230 HydrophobicContact CG2-CE2 3.59Å; T191-F230 HydrophobicContact CG2-CZ 3.79Å; C226-F230 WeakPolarHBondContact O-CD1 3.18Å; C226-F230 WeakPolarHBondContact O-CD2 3.27Å; C226-F230 WeakPolarHBondContact O-CG 3.31Å; C226-F230 PolarHBondContact O-N 2.87Å; V227-F230 PolarHBondContact O-N 2.98Å; F230-F232 VanDerWaalsContact C-N 3.31Å; F230-E233 PolarHBondContact O-N 3.03Å; F230-F234 WeakPolarHBondContact O-CB 3.4Å; F230-F234 PolarHBondContact O-N 3.09Å; F230-L260 HydrophobicContact CB-CD2 3.76Å; F230-Y298 HydrophobicContact CE2-CD2 4.38Å |
| 231 | S | 94 | Very high | 90.7 | Very high | 23 Ų | 23 | 40.4 Ų | 40.4 | 16% | 0.161 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.7 | -39.9 | 172.6 | -67.9 | 0 | 0 | 0 | 0 | 111.5 | V227 A228 F234 L235 L260 Y264 | V227-S231 WeakPolarHBondContact O-CB 3.4Å; V227-S231 PolarHBondContact O-N 3.34Å; V227-S231 PolarHBondContact O-OG 3.24Å; V227-S231 VanDerWaalsContact O-OG 3.14Å; A228-S231 PolarHBondContact O-N 2.95Å; S231-F234 PolarHBondContact O-N 3.11Å; S231-L235 VanDerWaalsContact O-CB 3.26Å; S231-L235 WeakPolarHBondContact O-CB 3.35Å; S231-L235 PolarHBondContact O-N 2.9Å; S231-L260 WeakPolarHBondContact OG-CD2 3.01Å; S231-Y264 WeakPolarHBondContact CB-OH 3.25Å; S231-Y264 WeakPolarHBondContact OG-CE2 3.4Å; S231-Y264 PolarHBondContact OG-OH 3.35Å |
| 232 | F | 93.8 | Very high | 90.3 | Very high | 97 Ų | 97 | 43.5 Ų | 43.5 | 43% | 0.425 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.9 | -48.8 | 174.3 | 171.8 | -105.8 | 0 | 0 | 0 | 111.6 | A228 W229 F230 F234 L235 L236 | A228-F232 WeakPolarHBondContact O-CB 3.39Å; A228-F232 PolarHBondContact O-N 2.88Å; W229-F232 HydrophobicContact CE3-CD1 4.34Å; W229-F232 HydrophobicContact CZ3-CD1 4.27Å; W229-F232 HydrophobicContact CZ3-CE1 4.37Å; W229-F232 WeakPolarHBondContact O-CB 3.44Å; W229-F232 PolarHBondContact O-N 2.89Å; F230-F232 VanDerWaalsContact C-N 3.31Å; F232-F234 VanDerWaalsContact C-N 3.34Å; F232-F234 PolarHBondContact O-N 3.49Å; F232-L235 PolarHBondContact O-N 3.08Å; F232-L236 HydrophobicContact CD1-CD1 4.06Å; F232-L236 HydrophobicContact CD2-CG 4.38Å; F232-L236 HydrophobicContact CE1-CD1 3.42Å; F232-L236 VanDerWaalsContact CE1-CD1 3.42Å; F232-L236 HydrophobicContact CE1-CG 4.16Å; F232-L236 HydrophobicContact CE2-CD1 4.07Å; F232-L236 HydrophobicContact CE2-CD2 4.11Å; F232-L236 HydrophobicContact CE2-CG 3.99Å; F232-L236 HydrophobicContact CZ-CD1 3.44Å; F232-L236 VanDerWaalsContact CZ-CD1 3.44Å; F232-L236 HydrophobicContact CZ-CD2 4.15Å; F232-L236 HydrophobicContact CZ-CG 3.89Å; F232-L236 WeakPolarHBondContact O-CG 3.37Å; F232-L236 PolarHBondContact O-N 2.94Å |
| 233 | E | 92.4 | Very high | 90.1 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.9 | -43.9 | 176 | -67.1 | -171.6 | 176.8 | 0 | 0 | 112.7 | F180 S184 W229 F230 L235 L236 R237 R301 | F180-E233 HydrophobicContact CZ-CG 3.92Å; S184-E233 WeakPolarHBondContact CB-OE1 3.43Å; S184-E233 PolarHBondContact OG-OE1 3.22Å; W229-E233 PolarHBondContact NE1-OE1 2.97Å; W229-E233 WeakPolarHBondContact O-CG 3.45Å; W229-E233 PolarHBondContact O-N 3.44Å; F230-E233 PolarHBondContact O-N 3.03Å; E233-L235 VanDerWaalsContact C-N 3.34Å; E233-L236 PolarHBondContact O-N 3.49Å; E233-R237 WeakPolarHBondContact O-CG 3.36Å; E233-R237 PolarHBondContact O-N 3.41Å; E233-R237 IonicContact OE2-CZ 3.69Å; E233-R237 IonicContact OE2-NH1 2.94Å; E233-R237 PolarHBondContact OE2-NH1 3Å; E233-R237 IonicContact OE2-NH2 3.49Å; E233-R237 PolarHBondContact OE2-NH2 3.45Å; E233-R301 IonicContact OE2-CZ 3.66Å; E233-R301 IonicContact OE2-NH2 3.59Å; E233-R301 PolarHBondContact OE2-NH2 3.03Å |
| 234 | F | 91.4 | Very high | 90 | Very high | 33 Ų | 33 | 46.2 Ų | 46.2 | 15% | 0.145 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -62.7 | -42.8 | 178.4 | 178.4 | -95.8 | 0 | 0 | 0 | 111.1 | F230 S231 F232 R237 S238 F247 L248 D256 I257 L260 | F230-F234 WeakPolarHBondContact O-CB 3.4Å; F230-F234 PolarHBondContact O-N 3.09Å; S231-F234 PolarHBondContact O-N 3.11Å; F232-F234 VanDerWaalsContact C-N 3.34Å; F232-F234 PolarHBondContact O-N 3.49Å; F234-R237 PolarHBondContact O-N 2.99Å; F234-S238 VanDerWaalsContact O-CB 3.28Å; F234-S238 WeakPolarHBondContact O-CB 3.32Å; F234-S238 PolarHBondContact O-N 3.46Å; F234-F247 HydrophobicContact CD2-CE1 4.31Å; F234-F247 AromaticContact CE2-CE1 3.72Å; F234-F247 HydrophobicContact CE2-CE1 3.72Å; F234-F247 HydrophobicContact CE2-CZ 4.33Å; F234-F247 AromaticContact CZ-CE1 3.98Å; F234-F247 HydrophobicContact CZ-CE1 3.98Å; F234-L248 HydrophobicContact CZ-CD2 3.76Å; F234-D256 HydrophobicContact CD2-CB 4.08Å; F234-I257 HydrophobicContact CE2-CD1 4.13Å; F234-I257 HydrophobicContact CE2-CG1 3.66Å; F234-I257 HydrophobicContact CZ-CD1 3.96Å; F234-I257 HydrophobicContact CZ-CG1 3.64Å; F234-L260 HydrophobicContact CB-CD1 4.25Å; F234-L260 HydrophobicContact CG-CD1 4.36Å |
| 235 | L | 91.4 | Very high | 89.9 | Confident | 96 Ų | 96 | 48.1 Ų | 48.1 | 50% | 0.503 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.1 | -46.1 | 176.5 | -178.6 | 62.3 | 0 | 0 | 0 | 111.2 | S231 F232 E233 R237 S238 L239 | S231-L235 VanDerWaalsContact O-CB 3.26Å; S231-L235 WeakPolarHBondContact O-CB 3.35Å; S231-L235 PolarHBondContact O-N 2.9Å; F232-L235 PolarHBondContact O-N 3.08Å; E233-L235 VanDerWaalsContact C-N 3.34Å; L235-R237 VanDerWaalsContact C-N 3.31Å; L235-R237 PolarHBondContact O-N 2.98Å; L235-S238 PolarHBondContact O-N 3.36Å; L235-L239 HydrophobicContact CD1-CD1 4.27Å; L235-L239 HydrophobicContact CD1-CD2 4.48Å; L235-L239 HydrophobicContact CD1-CG 4.09Å; L235-L239 HydrophobicContact CG-CD1 4.02Å; L235-L239 HydrophobicContact CG-CG 4.29Å; L235-L239 WeakPolarHBondContact O-CB 3.39Å; L235-L239 VanDerWaalsContact O-CG 3.23Å; L235-L239 WeakPolarHBondContact O-CG 3.26Å; L235-L239 PolarHBondContact O-N 2.99Å |
| 236 | L | 89.8 | Confident | 89.6 | Confident | 26 Ų | 26 | 47.2 Ų | 47.2 | 14% | 0.136 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -55.7 | -46.5 | 176.1 | -75.4 | -176.8 | 0 | 0 | 0 | 111.6 | L164 V168 F232 E233 Q240 | L164-L236 HydrophobicContact CD2-CD2 4.42Å; V168-L236 HydrophobicContact CG2-CD1 4.25Å; F232-L236 HydrophobicContact CD1-CD1 4.06Å; F232-L236 HydrophobicContact CD2-CG 4.38Å; F232-L236 HydrophobicContact CE1-CD1 3.42Å; F232-L236 VanDerWaalsContact CE1-CD1 3.42Å; F232-L236 HydrophobicContact CE1-CG 4.16Å; F232-L236 HydrophobicContact CE2-CD1 4.07Å; F232-L236 HydrophobicContact CE2-CD2 4.11Å; F232-L236 HydrophobicContact CE2-CG 3.99Å; F232-L236 HydrophobicContact CZ-CD1 3.44Å; F232-L236 VanDerWaalsContact CZ-CD1 3.44Å; F232-L236 HydrophobicContact CZ-CD2 4.15Å; F232-L236 HydrophobicContact CZ-CG 3.89Å; F232-L236 WeakPolarHBondContact O-CG 3.37Å; F232-L236 PolarHBondContact O-N 2.94Å; E233-L236 PolarHBondContact O-N 3.49Å; L236-Q240 WeakPolarHBondContact O-CG 3.49Å; L236-Q240 PolarHBondContact O-N 2.95Å; L236-Q240 PolarHBondContact O-NE2 2.94Å |
| 237 | R | 88.7 | Confident | 89.4 | Confident | 8 Ų | 8 | 48.6 Ų | 48.6 | 3% | 0.03 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.6 | -43.4 | 178.5 | -69.1 | 178.9 | -173.6 | 110.8 | 7.1 | 111.9 | V168 E233 F234 L235 L239 Q240 A241 F247 | V168-R237 HydrophobicContact CG1-CG 3.59Å; E233-R237 WeakPolarHBondContact O-CG 3.36Å; E233-R237 PolarHBondContact O-N 3.41Å; E233-R237 IonicContact OE2-CZ 3.69Å; E233-R237 IonicContact OE2-NH1 2.94Å; E233-R237 PolarHBondContact OE2-NH1 3Å; E233-R237 IonicContact OE2-NH2 3.49Å; E233-R237 PolarHBondContact OE2-NH2 3.45Å; F234-R237 PolarHBondContact O-N 2.99Å; L235-R237 VanDerWaalsContact C-N 3.31Å; L235-R237 PolarHBondContact O-N 2.98Å; R237-L239 PolarHBondContact O-N 2.88Å; R237-Q240 PolarHBondContact O-N 3.22Å; R237-Q240 VanDerWaalsContact O-N 3.17Å; R237-A241 PolarHBondContact O-N 2.98Å; R237-F247 HydrophobicContact CB-CE2 3.85Å; R237-F247 HydrophobicContact CB-CZ 3.68Å |
| 238 | S | 88.4 | Confident | 89.2 | Confident | 23 Ų | 23 | 52.1 Ų | 52.1 | 16% | 0.161 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.4 | -47.9 | 176.5 | 179.2 | 0 | 0 | 0 | 0 | 110.8 | F234 L235 Q240 A241 K244 | F234-S238 VanDerWaalsContact O-CB 3.28Å; F234-S238 WeakPolarHBondContact O-CB 3.32Å; F234-S238 PolarHBondContact O-N 3.46Å; L235-S238 PolarHBondContact O-N 3.36Å; S238-Q240 PolarHBondContact O-N 3.34Å; S238-A241 WeakPolarHBondContact O-CB 3.46Å; S238-A241 PolarHBondContact O-N 3.12Å; S238-A241 VanDerWaalsContact O-N 3.11Å; S238-K244 WeakPolarHBondContact O-CE 3.35Å; S238-K244 PolarHBondContact O-NZ 3.42Å |
| 239 | L | 87.3 | Confident | 89 | Confident | 93 Ų | 93 | 59 Ų | 59 | 49% | 0.487 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60.4 | -30 | 178.7 | -71.4 | 173.9 | 0 | 0 | 0 | 113.2 | R161 L235 R237 | R161-L239 PolarHBondContact NH2-O 2.81Å; L235-L239 HydrophobicContact CD1-CD1 4.27Å; L235-L239 HydrophobicContact CD1-CD2 4.48Å; L235-L239 HydrophobicContact CD1-CG 4.09Å; L235-L239 HydrophobicContact CG-CD1 4.02Å; L235-L239 HydrophobicContact CG-CG 4.29Å; L235-L239 WeakPolarHBondContact O-CB 3.39Å; L235-L239 VanDerWaalsContact O-CG 3.23Å; L235-L239 WeakPolarHBondContact O-CG 3.26Å; L235-L239 PolarHBondContact O-N 2.99Å; R237-L239 PolarHBondContact O-N 2.88Å |
| 240 | Q | 84.8 | Confident | 88.7 | Confident | 11 Ų | 11 | 57.7 Ų | 57.7 | 5% | 0.051 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -82.4 | -25.4 | 178.6 | -66.7 | 171 | 55.7 | 0 | 0 | 112.9 | R165 L236 R237 S238 | R165-Q240 PolarHBondContact NH2-O 3.04Å; L236-Q240 WeakPolarHBondContact O-CG 3.49Å; L236-Q240 PolarHBondContact O-N 2.95Å; L236-Q240 PolarHBondContact O-NE2 2.94Å; R237-Q240 PolarHBondContact O-N 3.22Å; R237-Q240 VanDerWaalsContact O-N 3.17Å; S238-Q240 PolarHBondContact O-N 3.34Å |
| 241 | A | 83.4 | Confident | 88.4 | Confident | 18 Ų | 18 | 62.2 Ų | 62.2 | 15% | 0.149 | 33% | 0.334 | C | S | . | . | trans | -65.3 | 136.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | R237 S238 K244 F247 | R237-A241 PolarHBondContact O-N 2.98Å; S238-A241 WeakPolarHBondContact O-CB 3.46Å; S238-A241 PolarHBondContact O-N 3.12Å; S238-A241 VanDerWaalsContact O-N 3.11Å; A241-K244 PolarHBondContact O-NZ 2.82Å; A241-F247 HydrophobicContact CB-CB 3.73Å; A241-F247 HydrophobicContact CB-CD2 3.71Å; A241-F247 HydrophobicContact CB-CG 3.81Å | ||
| 242 | E | 80.9 | Confident | 88 | Confident | 145 Ų | 145 | 63.7 Ų | 63.7 | 68% | 0.678 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -73.2 | -43.5 | 179.4 | -66.5 | 176.9 | -171.1 | 0 | 0 | 111.4 | ||
| 243 | S | 86.3 | Confident | 87.9 | Confident | 69 Ų | 69 | 59.6 Ų | 59.6 | 48% | 0.483 | 32% | 0.322 | S | S | . | . | trans | -116.1 | 110.5 | 175.6 | 54.8 | 0 | 0 | 0 | 0 | 111 | C245 A246 F247 | S243-C245 VanDerWaalsContact C-N 3.35Å; S243-C245 PolarHBondContact O-N 3.03Å; S243-A246 PolarHBondContact O-N 3.42Å; S243-A246 WeakPolarHBondContact OG-CB 3.18Å; S243-F247 WeakPolarHBondContact O-CB 3.3Å; S243-F247 PolarHBondContact O-N 2.9Å | ||
| 244 | K | 87.1 | Confident | 87.8 | Confident | 87 Ų | 87 | 63 Ų | 63 | 38% | 0.378 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63.1 | -39.8 | -177.6 | -53.1 | -54 | -177.9 | -153.2 | 0 | 112.1 | S238 A241 F247 L248 | S238-K244 WeakPolarHBondContact O-CE 3.35Å; S238-K244 PolarHBondContact O-NZ 3.42Å; A241-K244 PolarHBondContact O-NZ 2.82Å; K244-F247 WeakPolarHBondContact O-CB 3.38Å; K244-F247 PolarHBondContact O-N 3.14Å; K244-L248 VanDerWaalsContact O-CG 3.27Å; K244-L248 WeakPolarHBondContact O-CG 3.38Å; K244-L248 PolarHBondContact O-N 3.37Å |
| 245 | C | 88.2 | Confident | 87.7 | Confident | 85 Ų | 85 | 63.5 Ų | 63.5 | 57% | 0.574 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -65.9 | -40.1 | 179 | -69.9 | 0 | 0 | 0 | 0 | 113 | S243 F247 L248 R249 | S243-C245 VanDerWaalsContact C-N 3.35Å; S243-C245 PolarHBondContact O-N 3.03Å; C245-F247 VanDerWaalsContact C-N 3.34Å; C245-L248 PolarHBondContact O-N 3.21Å; C245-R249 WeakPolarHBondContact O-CG 3.43Å; C245-R249 PolarHBondContact O-N 2.89Å |
| 246 | A | 87.7 | Confident | 87.6 | Confident | 56 Ų | 56 | 59 Ų | 59 | 46% | 0.463 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -68.5 | -39.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | S243 R249 A250 | S243-A246 PolarHBondContact O-N 3.42Å; S243-A246 WeakPolarHBondContact OG-CB 3.18Å; A246-R249 PolarHBondContact O-N 3.49Å; A246-A250 PolarHBondContact O-N 2.83Å |
| 247 | F | 88.5 | Confident | 87.7 | Confident | 31 Ų | 31 | 60.7 Ų | 60.7 | 14% | 0.136 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -58.4 | -48.9 | 173.7 | 178.3 | -94.3 | 0 | 0 | 0 | 111.9 | F234 R237 A241 S243 K244 C245 R249 A250 N253 | F234-F247 HydrophobicContact CD2-CE1 4.31Å; F234-F247 AromaticContact CE2-CE1 3.72Å; F234-F247 HydrophobicContact CE2-CE1 3.72Å; F234-F247 HydrophobicContact CE2-CZ 4.33Å; F234-F247 AromaticContact CZ-CE1 3.98Å; F234-F247 HydrophobicContact CZ-CE1 3.98Å; R237-F247 HydrophobicContact CB-CE2 3.85Å; R237-F247 HydrophobicContact CB-CZ 3.68Å; A241-F247 HydrophobicContact CB-CB 3.73Å; A241-F247 HydrophobicContact CB-CD2 3.71Å; A241-F247 HydrophobicContact CB-CG 3.81Å; S243-F247 WeakPolarHBondContact O-CB 3.3Å; S243-F247 PolarHBondContact O-N 2.9Å; K244-F247 WeakPolarHBondContact O-CB 3.38Å; K244-F247 PolarHBondContact O-N 3.14Å; C245-F247 VanDerWaalsContact C-N 3.34Å; F247-R249 VanDerWaalsContact C-N 3.26Å; F247-R249 PolarHBondContact O-N 3.02Å; F247-A250 WeakPolarHBondContact O-CB 3.41Å; F247-A250 PolarHBondContact O-N 3.44Å; F247-N253 WeakPolarHBondContact CD2-ND2 3.01Å; F247-N253 HydrophobicContact CE1-CB 4.4Å; F247-N253 WeakPolarHBondContact CE2-ND2 3.42Å; F247-N253 HydrophobicContact CZ-CB 4.47Å; F247-N253 WeakPolarHBondContact CZ-ND2 3.46Å; F247-N253 WeakPolarHBondContact O-CB 3.28Å; F247-N253 PolarHBondContact O-ND2 2.87Å |
| 248 | L | 88.8 | Confident | 87.7 | Confident | 75 Ų | 75 | 63.5 Ų | 63.5 | 39% | 0.393 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -65.8 | -26.8 | -179.4 | -67.3 | 173.1 | 0 | 0 | 0 | 113.4 | F234 K244 C245 I254 I257 | F234-L248 HydrophobicContact CZ-CD2 3.76Å; K244-L248 VanDerWaalsContact O-CG 3.27Å; K244-L248 WeakPolarHBondContact O-CG 3.38Å; K244-L248 PolarHBondContact O-N 3.37Å; C245-L248 PolarHBondContact O-N 3.21Å; L248-I254 WeakPolarHBondContact O-CG1 3.31Å; L248-I257 HydrophobicContact CD2-CD1 3.62Å |
| 249 | R | 88.9 | Confident | 87.7 | Confident | 199 Ų | 199 | 62.4 Ų | 62.4 | 75% | 0.751 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -82.6 | -9.6 | 177.5 | -72 | 178.9 | -174.1 | 155.6 | 1.4 | 113.9 | C245 A246 F247 | C245-R249 WeakPolarHBondContact O-CG 3.43Å; C245-R249 PolarHBondContact O-N 2.89Å; A246-R249 PolarHBondContact O-N 3.49Å; F247-R249 VanDerWaalsContact C-N 3.26Å; F247-R249 PolarHBondContact O-N 3.02Å |
| 250 | A | 87.5 | Confident | 87.9 | Confident | 33 Ų | 33 | 58.8 Ų | 58.8 | 27% | 0.273 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -69.9 | 135.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | A246 F247 L252 N253 I254 | A246-A250 PolarHBondContact O-N 2.83Å; F247-A250 WeakPolarHBondContact O-CB 3.41Å; F247-A250 PolarHBondContact O-N 3.44Å; A250-L252 VanDerWaalsContact C-N 3.35Å; A250-L252 PolarHBondContact O-N 3.43Å; A250-N253 HydrophobicContact CB-CB 4.37Å; A250-N253 WeakPolarHBondContact O-CA 3.47Å; A250-N253 WeakPolarHBondContact O-CB 3.41Å; A250-N253 PolarHBondContact O-N 3.06Å; A250-I254 PolarHBondContact O-N 3.42Å |
| 251 | P | 86.6 | Confident | 88.1 | Confident | 98 Ų | 98 | 61.3 Ų | 61.3 | 64% | 0.636 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -60.2 | -39.3 | -169.2 | 21.7 | -33.3 | 0 | 0 | 0 | 113.7 | N253 I254 I255 | P251-N253 VanDerWaalsContact C-N 3.29Å; P251-N253 PolarHBondContact O-N 3.31Å; P251-I254 PolarHBondContact O-N 3.4Å; P251-I255 WeakPolarHBondContact O-CG1 3.16Å; P251-I255 PolarHBondContact O-N 3.13Å; P251-I255 VanDerWaalsContact O-N 3.15Å |
| 252 | L | 87 | Confident | 88.4 | Confident | 53 Ų | 53 | 60.4 Ų | 60.4 | 28% | 0.277 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -66.8 | -30.8 | 176.6 | -63.5 | 176.5 | 0 | 0 | 0 | 112.6 | A250 D256 A303 | A250-L252 VanDerWaalsContact C-N 3.35Å; A250-L252 PolarHBondContact O-N 3.43Å; L252-D256 PolarHBondContact O-N 3.18Å; L252-A303 HydrophobicContact CD2-CB 4.26Å |
| 253 | N | 90.1 | Very high | 88.7 | Confident | 11 Ų | 11 | 54.4 Ų | 54.4 | 6% | 0.059 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -79.7 | -30.4 | 178.3 | -62.4 | -20.5 | 0 | 0 | 0 | 111.4 | F247 A250 P251 D256 I257 R304 | F247-N253 WeakPolarHBondContact CD2-ND2 3.01Å; F247-N253 HydrophobicContact CE1-CB 4.4Å; F247-N253 WeakPolarHBondContact CE2-ND2 3.42Å; F247-N253 HydrophobicContact CZ-CB 4.47Å; F247-N253 WeakPolarHBondContact CZ-ND2 3.46Å; F247-N253 WeakPolarHBondContact O-CB 3.28Å; F247-N253 PolarHBondContact O-ND2 2.87Å; A250-N253 HydrophobicContact CB-CB 4.37Å; A250-N253 WeakPolarHBondContact O-CA 3.47Å; A250-N253 WeakPolarHBondContact O-CB 3.41Å; A250-N253 PolarHBondContact O-N 3.06Å; P251-N253 VanDerWaalsContact C-N 3.29Å; P251-N253 PolarHBondContact O-N 3.31Å; N253-D256 PolarHBondContact O-N 2.85Å; N253-I257 WeakPolarHBondContact O-CD1 3.3Å; N253-I257 VanDerWaalsContact O-CG1 3.28Å; N253-I257 WeakPolarHBondContact O-CG1 3.5Å; N253-I257 PolarHBondContact O-N 3.49Å; N253-R304 PolarHBondContact OD1-NH2 3.3Å |
| 254 | I | 90.4 | Very high | 88.9 | Confident | 73 Ų | 73 | 56.1 Ų | 56.1 | 37% | 0.374 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.8 | -44.6 | 169.8 | -64.8 | 171 | 0 | 0 | 0 | 110.2 | L248 A250 P251 D256 I257 L258 | L248-I254 WeakPolarHBondContact O-CG1 3.31Å; A250-I254 PolarHBondContact O-N 3.42Å; P251-I254 PolarHBondContact O-N 3.4Å; I254-D256 VanDerWaalsContact C-N 3.32Å; I254-D256 PolarHBondContact O-N 3.26Å; I254-I257 PolarHBondContact O-N 2.87Å; I254-L258 HydrophobicContact CG2-CD1 3.88Å; I254-L258 HydrophobicContact CG2-CG 4.25Å; I254-L258 WeakPolarHBondContact O-CB 3.35Å; I254-L258 WeakPolarHBondContact O-CG 3.36Å; I254-L258 PolarHBondContact O-N 3.36Å |
| 255 | I | 89.9 | Confident | 89 | Confident | 44 Ų | 44 | 54.5 Ų | 54.5 | 23% | 0.226 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.1 | -44.5 | 175.2 | -65.6 | 169.1 | 0 | 0 | 0 | 110.7 | P251 I257 L258 A259 M300 R301 | P251-I255 WeakPolarHBondContact O-CG1 3.16Å; P251-I255 PolarHBondContact O-N 3.13Å; P251-I255 VanDerWaalsContact O-N 3.15Å; I255-I257 VanDerWaalsContact C-N 3.35Å; I255-I257 PolarHBondContact O-N 3.19Å; I255-L258 PolarHBondContact O-N 3.33Å; I255-A259 WeakPolarHBondContact O-CB 3.45Å; I255-A259 PolarHBondContact O-N 3.41Å; I255-M300 HydrophobicContact CG2-CB 3.81Å; I255-R301 HydrophobicContact CG2-CG 4.4Å |
| 256 | D | 90.2 | Very high | 88.7 | Confident | 2 Ų | 2 | 52.3 Ų | 52.3 | 1% | 0.011 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.1 | -42.8 | 176.7 | -73 | -14 | 0 | 0 | 0 | 111.8 | F234 L252 N253 I254 A259 L260 R301 R304 | F234-D256 HydrophobicContact CD2-CB 4.08Å; L252-D256 PolarHBondContact O-N 3.18Å; N253-D256 PolarHBondContact O-N 2.85Å; I254-D256 VanDerWaalsContact C-N 3.32Å; I254-D256 PolarHBondContact O-N 3.26Å; D256-A259 PolarHBondContact O-N 3.08Å; D256-L260 WeakPolarHBondContact O-CG 3.31Å; D256-L260 PolarHBondContact O-N 3.2Å; D256-L260 VanDerWaalsContact O-N 3.09Å; D256-R301 WeakPolarHBondContact OD1-CG 3.5Å; D256-R301 IonicContact OD1-CZ 3.99Å; D256-R301 IonicContact OD1-NE 3.93Å; D256-R301 PolarHBondContact OD1-NE 3.43Å; D256-R301 IonicContact OD1-NH2 2.99Å; D256-R301 IonicContact OD2-NH2 3.62Å; D256-R304 IonicContact OD2-CZ 2.74Å; D256-R304 IonicContact OD2-NE 3.41Å; D256-R304 PolarHBondContact OD2-NE 3.48Å; D256-R304 IonicContact OD2-NH2 3.82Å; D256-R304 PolarHBondContact OD2-NH2 3.07Å |
| 257 | I | 91 | Very high | 88.6 | Confident | 60 Ų | 60 | 53.5 Ų | 53.5 | 31% | 0.308 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66.1 | -46.6 | 177.5 | -66.1 | 161.3 | 0 | 0 | 0 | 111.2 | F234 L248 N253 I254 I255 A259 L260 L261 | F234-I257 HydrophobicContact CE2-CD1 4.13Å; F234-I257 HydrophobicContact CE2-CG1 3.66Å; F234-I257 HydrophobicContact CZ-CD1 3.96Å; F234-I257 HydrophobicContact CZ-CG1 3.64Å; L248-I257 HydrophobicContact CD2-CD1 3.62Å; N253-I257 WeakPolarHBondContact O-CD1 3.3Å; N253-I257 VanDerWaalsContact O-CG1 3.28Å; N253-I257 WeakPolarHBondContact O-CG1 3.5Å; N253-I257 PolarHBondContact O-N 3.49Å; I254-I257 PolarHBondContact O-N 2.87Å; I255-I257 VanDerWaalsContact C-N 3.35Å; I255-I257 PolarHBondContact O-N 3.19Å; I257-A259 PolarHBondContact O-N 3.48Å; I257-L260 PolarHBondContact O-N 2.84Å; I257-L261 WeakPolarHBondContact O-CB 3.42Å; I257-L261 PolarHBondContact O-N 2.95Å |
| 258 | L | 89.8 | Confident | 88.4 | Confident | 67 Ų | 67 | 57.8 Ų | 57.8 | 35% | 0.351 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.3 | -31.1 | 178.7 | -72.9 | 174.5 | 0 | 0 | 0 | 112 | I254 I255 P262 L297 | I254-L258 HydrophobicContact CG2-CD1 3.88Å; I254-L258 HydrophobicContact CG2-CG 4.25Å; I254-L258 WeakPolarHBondContact O-CB 3.35Å; I254-L258 WeakPolarHBondContact O-CG 3.36Å; I254-L258 PolarHBondContact O-N 3.36Å; I255-L258 PolarHBondContact O-N 3.33Å; L258-P262 WeakPolarHBondContact O-CD 3.25Å; L258-L297 HydrophobicContact CB-CD1 3.83Å; L258-L297 HydrophobicContact CD1-CD1 4.36Å |
| 259 | A | 88.2 | Confident | 88.1 | Confident | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.008 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -71.2 | -36.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | I255 D256 I257 L261 P262 Y298 R301 | I255-A259 WeakPolarHBondContact O-CB 3.45Å; I255-A259 PolarHBondContact O-N 3.41Å; D256-A259 PolarHBondContact O-N 3.08Å; I257-A259 PolarHBondContact O-N 3.48Å; A259-L261 VanDerWaalsContact C-N 3.33Å; A259-L261 PolarHBondContact O-N 3.03Å; A259-P262 WeakPolarHBondContact O-CD 3.4Å; A259-Y298 HydrophobicContact CB-CD1 3.63Å; A259-Y298 HydrophobicContact CB-CE1 4.01Å; A259-Y298 HydrophobicContact CB-CG 4.32Å; A259-Y298 WeakPolarHBondContact O-CE1 3.44Å; A259-Y298 PolarHBondContact O-OH 2.86Å; A259-R301 HydrophobicContact CB-CG 4.22Å |
| 260 | L | 90.6 | Very high | 87.5 | Confident | 17 Ų | 17 | 48.3 Ų | 48.3 | 9% | 0.089 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -72.8 | -28.7 | 177.2 | -65.5 | 175.5 | 0 | 0 | 0 | 113 | V227 F230 S231 F234 D256 I257 F263 Y264 | V227-L260 HydrophobicContact CG1-CD2 3.95Å; F230-L260 HydrophobicContact CB-CD2 3.76Å; S231-L260 WeakPolarHBondContact OG-CD2 3.01Å; F234-L260 HydrophobicContact CB-CD1 4.25Å; F234-L260 HydrophobicContact CG-CD1 4.36Å; D256-L260 WeakPolarHBondContact O-CG 3.31Å; D256-L260 PolarHBondContact O-N 3.2Å; D256-L260 VanDerWaalsContact O-N 3.09Å; I257-L260 PolarHBondContact O-N 2.84Å; L260-F263 PolarHBondContact O-N 3.4Å; L260-Y264 HydrophobicContact CB-CD2 4.12Å; L260-Y264 HydrophobicContact CB-CE2 4.13Å; L260-Y264 HydrophobicContact CD2-CE2 4.44Å; L260-Y264 VanDerWaalsContact O-CD2 3.3Å; L260-Y264 WeakPolarHBondContact O-CD2 3.39Å; L260-Y264 PolarHBondContact O-N 3.4Å |
| 261 | L | 89.9 | Confident | 87.2 | Confident | 63 Ų | 63 | 52.8 Ų | 52.8 | 33% | 0.33 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -57.5 | -45.7 | -169.3 | -171.2 | 147.8 | 0 | 0 | 0 | 114.9 | I257 A259 F263 Y264 V265 L291 | I257-L261 WeakPolarHBondContact O-CB 3.42Å; I257-L261 PolarHBondContact O-N 2.95Å; A259-L261 VanDerWaalsContact C-N 3.33Å; A259-L261 PolarHBondContact O-N 3.03Å; L261-F263 PolarHBondContact O-N 2.95Å; L261-Y264 PolarHBondContact O-N 3.3Å; L261-V265 HydrophobicContact CD2-CG2 3.76Å; L261-V265 HydrophobicContact CG-CG2 3.87Å; L261-V265 WeakPolarHBondContact O-CB 3.32Å; L261-V265 VanDerWaalsContact O-CG2 3.26Å; L261-V265 WeakPolarHBondContact O-CG2 3.47Å; L261-V265 PolarHBondContact O-N 3.22Å; L261-L291 HydrophobicContact CD2-CD2 3.5Å; L261-L291 VanDerWaalsContact CD2-CD2 3.5Å |
| 262 | P | 88.3 | Confident | 86.7 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -53.3 | -48.2 | 179.6 | -31.1 | 37.9 | 0 | 0 | 0 | 114.3 | L258 A259 S266 L291 L294 R295 Y298 | L258-P262 WeakPolarHBondContact O-CD 3.25Å; A259-P262 WeakPolarHBondContact O-CD 3.4Å; P262-S266 WeakPolarHBondContact O-CB 3.45Å; P262-S266 PolarHBondContact O-N 2.95Å; P262-S266 PolarHBondContact O-OG 3.32Å; P262-S266 VanDerWaalsContact O-OG 3.08Å; P262-L291 HydrophobicContact CB-CB 4.26Å; P262-L291 WeakPolarHBondContact CB-O 3.23Å; P262-L291 WeakPolarHBondContact CG-O 3.45Å; P262-L294 HydrophobicContact CG-CB 3.72Å; P262-R295 HydrophobicContact CB-CG 4.15Å; P262-R295 HydrophobicContact CG-CG 4.5Å; P262-Y298 HydrophobicContact CG-CE1 4.41Å |
| 263 | F | 88.6 | Confident | 85.9 | Confident | 19 Ų | 19 | 49.4 Ų | 49.4 | 8% | 0.083 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.2 | -49.7 | -177.3 | -179.7 | -92 | 0 | 0 | 0 | 111.6 | F220 E223 T224 V227 L260 L261 V265 S266 L267 | F220-F263 HydrophobicContact CE2-CE2 4.2Å; F220-F263 HydrophobicContact CZ-CE2 4.44Å; E223-F263 HydrophobicContact CG-CD2 4.25Å; T224-F263 HydrophobicContact CG2-CZ 4Å; V227-F263 HydrophobicContact CB-CD1 4.35Å; V227-F263 HydrophobicContact CB-CG 4.26Å; V227-F263 HydrophobicContact CG1-CB 4.08Å; V227-F263 HydrophobicContact CG1-CD1 3.7Å; V227-F263 HydrophobicContact CG1-CE1 4.33Å; V227-F263 HydrophobicContact CG1-CG 3.91Å; V227-F263 HydrophobicContact CG2-CB 4Å; V227-F263 HydrophobicContact CG2-CD2 4.26Å; V227-F263 HydrophobicContact CG2-CG 4.05Å; L260-F263 PolarHBondContact O-N 3.4Å; L261-F263 PolarHBondContact O-N 2.95Å; F263-V265 PolarHBondContact O-N 2.83Å; F263-S266 PolarHBondContact O-N 2.82Å; F263-L267 HydrophobicContact CE1-CD2 4.39Å; F263-L267 WeakPolarHBondContact O-CB 3.31Å; F263-L267 PolarHBondContact O-N 3.23Å |
| 264 | Y | 90.2 | Very high | 84.6 | Confident | 104 Ų | 104 | 52.5 Ų | 52.5 | 41% | 0.408 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -68 | -36.4 | -177.8 | -73.3 | -68.9 | 0 | 0 | 0 | 112.9 | V227 S231 L260 L261 L267 L268 | V227-Y264 HydrophobicContact CG1-CE2 4.02Å; S231-Y264 WeakPolarHBondContact CB-OH 3.25Å; S231-Y264 WeakPolarHBondContact OG-CE2 3.4Å; S231-Y264 PolarHBondContact OG-OH 3.35Å; L260-Y264 HydrophobicContact CB-CD2 4.12Å; L260-Y264 HydrophobicContact CB-CE2 4.13Å; L260-Y264 HydrophobicContact CD2-CE2 4.44Å; L260-Y264 VanDerWaalsContact O-CD2 3.3Å; L260-Y264 WeakPolarHBondContact O-CD2 3.39Å; L260-Y264 PolarHBondContact O-N 3.4Å; L261-Y264 PolarHBondContact O-N 3.3Å; Y264-L267 PolarHBondContact O-N 3.06Å; Y264-L268 VanDerWaalsContact O-CB 3.31Å; Y264-L268 WeakPolarHBondContact O-CB 3.26Å; Y264-L268 PolarHBondContact O-N 3.09Å |
| 265 | V | 88.2 | Confident | 83.1 | Confident | 53 Ų | 53 | 54.4 Ų | 54.4 | 32% | 0.321 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -69.1 | -41.8 | 175.5 | 176.5 | 0 | 0 | 0 | 0 | 110.9 | L261 F263 L267 L268 L269 L291 | L261-V265 HydrophobicContact CD2-CG2 3.76Å; L261-V265 HydrophobicContact CG-CG2 3.87Å; L261-V265 WeakPolarHBondContact O-CB 3.32Å; L261-V265 VanDerWaalsContact O-CG2 3.26Å; L261-V265 WeakPolarHBondContact O-CG2 3.47Å; L261-V265 PolarHBondContact O-N 3.22Å; F263-V265 PolarHBondContact O-N 2.83Å; V265-L267 VanDerWaalsContact C-N 3.35Å; V265-L267 PolarHBondContact O-N 3.4Å; V265-L268 PolarHBondContact O-N 3.16Å; V265-L269 WeakPolarHBondContact O-CB 3.13Å; V265-L269 PolarHBondContact O-N 3Å; V265-L291 HydrophobicContact CB-CD1 3.87Å; V265-L291 HydrophobicContact CG1-CD1 3.47Å; V265-L291 VanDerWaalsContact CG1-CD1 3.47Å |
| 266 | S | 82.6 | Confident | 81.4 | Confident | 40 Ų | 40 | 55.6 Ų | 55.6 | 28% | 0.28 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.8 | -41.4 | 174 | -70.5 | 0 | 0 | 0 | 0 | 112.2 | P262 F263 G270 | P262-S266 WeakPolarHBondContact O-CB 3.45Å; P262-S266 PolarHBondContact O-N 2.95Å; P262-S266 PolarHBondContact O-OG 3.32Å; P262-S266 VanDerWaalsContact O-OG 3.08Å; F263-S266 PolarHBondContact O-N 2.82Å; S266-G270 PolarHBondContact O-N 3.47Å |
| 267 | L | 84.9 | Confident | 79.9 | Confident | 81 Ų | 81 | 56.6 Ų | 56.6 | 42% | 0.424 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.8 | -47.2 | 176 | -177.1 | 65.9 | 0 | 0 | 0 | 111.8 | F263 Y264 V265 L269 G270 L271 | F263-L267 HydrophobicContact CE1-CD2 4.39Å; F263-L267 WeakPolarHBondContact O-CB 3.31Å; F263-L267 PolarHBondContact O-N 3.23Å; Y264-L267 PolarHBondContact O-N 3.06Å; V265-L267 VanDerWaalsContact C-N 3.35Å; V265-L267 PolarHBondContact O-N 3.4Å; L267-L269 VanDerWaalsContact C-N 3.33Å; L267-L269 PolarHBondContact O-N 3.47Å; L267-G270 PolarHBondContact O-N 3.33Å; L267-L271 HydrophobicContact CG-CD1 4.4Å; L267-L271 WeakPolarHBondContact O-CG 3.4Å; L267-L271 PolarHBondContact O-N 3.5Å |
| 268 | L | 85.7 | Confident | 78.4 | Confident | 120 Ų | 120 | 59.1 Ų | 59.1 | 63% | 0.628 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -61.7 | -41.6 | 178.8 | -177 | 65.4 | 0 | 0 | 0 | 111.7 | Y264 V265 L271 A272 | Y264-L268 VanDerWaalsContact O-CB 3.31Å; Y264-L268 WeakPolarHBondContact O-CB 3.26Å; Y264-L268 PolarHBondContact O-N 3.09Å; V265-L268 PolarHBondContact O-N 3.16Å; L268-L271 PolarHBondContact O-N 3.19Å; L268-A272 WeakPolarHBondContact O-CB 3.27Å; L268-A272 PolarHBondContact O-N 3.06Å |
| 269 | L | 81.9 | Confident | 77.1 | Confident | 28 Ų | 28 | 63.8 Ų | 63.8 | 15% | 0.147 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -67.6 | -38 | 177.5 | -172.3 | 65.1 | 0 | 0 | 0 | 111.9 | V265 L267 A272 A273 L280 L281 A284 L288 | V265-L269 WeakPolarHBondContact O-CB 3.13Å; V265-L269 PolarHBondContact O-N 3Å; L267-L269 VanDerWaalsContact C-N 3.33Å; L267-L269 PolarHBondContact O-N 3.47Å; L269-A272 PolarHBondContact O-N 3.38Å; L269-A273 WeakPolarHBondContact O-CB 3.28Å; L269-A273 PolarHBondContact O-N 3.2Å; L269-L280 HydrophobicContact CD1-CD2 3.66Å; L269-L280 HydrophobicContact CD1-CG 4.07Å; L269-L281 HydrophobicContact CD2-CD1 4.47Å; L269-L281 HydrophobicContact CG-CD1 4.48Å; L269-A284 HydrophobicContact CD1-CB 4.43Å; L269-A284 HydrophobicContact CD2-CB 3.52Å; L269-L288 HydrophobicContact CD2-CD1 3.92Å; L269-L288 HydrophobicContact CD2-CD2 3.95Å; L269-L288 HydrophobicContact CD2-CG 3.98Å |
| 270 | G | 76.9 | Confident | 76 | Confident | 48 Ų | 48 | 68.1 Ų | 68.1 | 50% | 0.495 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -62.2 | -42.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112.7 | S266 L267 A273 G274 | S266-G270 PolarHBondContact O-N 3.47Å; L267-G270 PolarHBondContact O-N 3.33Å; G270-A273 PolarHBondContact O-N 3.02Å; G270-G274 PolarHBondContact O-N 3.36Å |
| 271 | L | 80.8 | Confident | 74.8 | Confident | 127 Ų | 127 | 71.5 Ų | 71.5 | 67% | 0.665 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -64.9 | -42.4 | 174.7 | -69.7 | 169.5 | 0 | 0 | 0 | 112.1 | L267 L268 G274 | L267-L271 HydrophobicContact CG-CD1 4.4Å; L267-L271 WeakPolarHBondContact O-CG 3.4Å; L267-L271 PolarHBondContact O-N 3.5Å; L268-L271 PolarHBondContact O-N 3.19Å; L271-G274 PolarHBondContact O-N 3Å |
| 272 | A | 76.5 | Confident | 73.6 | Confident | 49 Ų | 49 | 76.3 Ų | 76.3 | 41% | 0.405 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -68 | -33.7 | 179 | 0 | 0 | 0 | 0 | 0 | 113 | L268 L269 G274 S275 | L268-A272 WeakPolarHBondContact O-CB 3.27Å; L268-A272 PolarHBondContact O-N 3.06Å; L269-A272 PolarHBondContact O-N 3.38Å; A272-G274 VanDerWaalsContact C-N 3.31Å; A272-G274 PolarHBondContact O-N 3.48Å; A272-S275 PolarHBondContact O-N 3.33Å |
| 273 | A | 68.8 | Low | 72.6 | Confident | 31 Ų | 31 | 86.5 Ų | 86.5 | 26% | 0.256 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.2 | -29.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113 | L269 G270 S275 G276 G277 L281 | L269-A273 WeakPolarHBondContact O-CB 3.28Å; L269-A273 PolarHBondContact O-N 3.2Å; G270-A273 PolarHBondContact O-N 3.02Å; A273-S275 PolarHBondContact O-N 3.11Å; A273-S275 VanDerWaalsContact O-N 3.12Å; A273-G276 PolarHBondContact O-N 2.94Å; A273-G277 PolarHBondContact O-N 2.99Å; A273-L281 HydrophobicContact CB-CD1 4.25Å |
| 274 | G | 62.7 | Low | 71.8 | Confident | 75 Ų | 75 | 86.1 Ų | 86.1 | 77% | 0.773 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -14.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | G270 L271 A272 | G270-G274 PolarHBondContact O-N 3.36Å; L271-G274 PolarHBondContact O-N 3Å; A272-G274 VanDerWaalsContact C-N 3.31Å; A272-G274 PolarHBondContact O-N 3.48Å |
| 275 | S | 59.9 | Low | 71.1 | Confident | 113 Ų | 113 | 82.3 Ų | 82.3 | 79% | 0.79 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.5 | 16.9 | -179.6 | -168.5 | 0 | 0 | 0 | 0 | 114.5 | A272 A273 | A272-S275 PolarHBondContact O-N 3.33Å; A273-S275 PolarHBondContact O-N 3.11Å; A273-S275 VanDerWaalsContact O-N 3.12Å |
| 276 | G | 54.5 | Low | 70.5 | Confident | 70 Ų | 70 | 86 Ų | 86 | 72% | 0.722 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 105 | 19.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | A273 T278 | A273-G276 PolarHBondContact O-N 2.94Å; G276-T278 PolarHBondContact O-N 3.31Å |
| 277 | G | 57.4 | Low | 70.4 | Confident | 22 Ų | 22 | 87.8 Ų | 87.8 | 23% | 0.227 | 52% | 0.521 | C | S | . | . | trans | -95.5 | 42.9 | -171.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | A273 K279 L280 L281 | A273-G277 PolarHBondContact O-N 2.99Å; G277-K279 PolarHBondContact O-N 2.84Å; G277-L280 WeakPolarHBondContact O-CB 3.43Å; G277-L280 PolarHBondContact O-N 3.26Å; G277-L281 PolarHBondContact O-N 3.41Å | ||
| 278 | T | 59.7 | Low | 69.9 | Low | 114 Ų | 114 | 85.8 Ų | 85.8 | 70% | 0.699 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -58.7 | -32.9 | -177.4 | 53.7 | 0 | 0 | 0 | 0 | 113.5 | G276 L280 L281 E282 | G276-T278 PolarHBondContact O-N 3.31Å; T278-L280 VanDerWaalsContact C-N 3.33Å; T278-L280 PolarHBondContact O-N 2.72Å; T278-L281 PolarHBondContact O-N 2.79Å; T278-E282 PolarHBondContact O-N 3.18Å |
| 279 | K | 62.6 | Low | 69.6 | Low | 165 Ų | 165 | 88.5 Ų | 88.5 | 72% | 0.717 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -69 | -25.4 | 175.6 | -65.9 | -179 | -179.6 | 177 | 0 | 114.1 | G277 R283 | G277-K279 PolarHBondContact O-N 2.84Å; K279-R283 PolarHBondContact O-N 2.85Å |
| 280 | L | 64.8 | Low | 69.6 | Low | 92 Ų | 92 | 92.5 Ų | 92.5 | 48% | 0.482 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -76.6 | -36.7 | 178.3 | -168.2 | 72.8 | 0 | 0 | 0 | 110.5 | L269 G277 T278 R283 A284 | L269-L280 HydrophobicContact CD1-CD2 3.66Å; L269-L280 HydrophobicContact CD1-CG 4.07Å; G277-L280 WeakPolarHBondContact O-CB 3.43Å; G277-L280 PolarHBondContact O-N 3.26Å; T278-L280 VanDerWaalsContact C-N 3.33Å; T278-L280 PolarHBondContact O-N 2.72Å; L280-R283 PolarHBondContact O-N 2.87Å; L280-A284 WeakPolarHBondContact O-CB 3.44Å; L280-A284 PolarHBondContact O-N 3.21Å |
| 281 | L | 65.2 | Low | 69.9 | Low | 87 Ų | 87 | 90.7 Ų | 90.7 | 46% | 0.455 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.1 | -41.9 | 179.9 | -156.4 | 85.3 | 0 | 0 | 0 | 112 | L269 A273 G277 T278 A284 G285 | L269-L281 HydrophobicContact CD2-CD1 4.47Å; L269-L281 HydrophobicContact CG-CD1 4.48Å; A273-L281 HydrophobicContact CB-CD1 4.25Å; G277-L281 PolarHBondContact O-N 3.41Å; T278-L281 PolarHBondContact O-N 2.79Å; L281-A284 CarbonylContact O-C 3.58Å; L281-A284 PolarHBondContact O-N 3.16Å; L281-G285 PolarHBondContact O-N 3.47Å; L281-G285 VanDerWaalsContact O-N 3.16Å |
| 282 | E | 66.1 | Low | 69.8 | Low | 164 Ų | 164 | 89.9 Ų | 89.9 | 77% | 0.766 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.8 | -45.6 | 175 | -80.6 | -171.6 | 147.3 | 0 | 0 | 112.3 | T278 A284 G285 | T278-E282 PolarHBondContact O-N 3.18Å; E282-A284 VanDerWaalsContact C-N 3.26Å; E282-A284 PolarHBondContact O-N 2.79Å; E282-G285 PolarHBondContact O-N 3.46Å |
| 283 | R | 66.6 | Low | 70.1 | Confident | 214 Ų | 214 | 90.5 Ų | 90.5 | 81% | 0.808 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -67.2 | -28.8 | 175.9 | -70.1 | -176 | 178.8 | 179 | -0.4 | 112.5 | K279 L280 G285 | K279-R283 PolarHBondContact O-N 2.85Å; L280-R283 PolarHBondContact O-N 2.87Å; R283-G285 VanDerWaalsContact C-N 3.32Å |
| 284 | A | 72.5 | Confident | 70.9 | Confident | 11 Ų | 11 | 91.2 Ų | 91.2 | 9% | 0.091 | 51% | 0.505 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -5.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | L269 L280 L281 E282 L286 V287 L288 | L269-A284 HydrophobicContact CD1-CB 4.43Å; L269-A284 HydrophobicContact CD2-CB 3.52Å; L280-A284 WeakPolarHBondContact O-CB 3.44Å; L280-A284 PolarHBondContact O-N 3.21Å; L281-A284 CarbonylContact O-C 3.58Å; L281-A284 PolarHBondContact O-N 3.16Å; E282-A284 VanDerWaalsContact C-N 3.26Å; E282-A284 PolarHBondContact O-N 2.79Å; A284-L286 VanDerWaalsContact C-N 3.32Å; A284-L286 PolarHBondContact O-N 3.19Å; A284-V287 CarbonylContact O-C 3.51Å; A284-V287 WeakPolarHBondContact O-CA 3.34Å; A284-V287 WeakPolarHBondContact O-CB 3.34Å; A284-V287 PolarHBondContact O-N 2.86Å; A284-L288 HydrophobicContact CB-CD1 4.49Å; A284-L288 WeakPolarHBondContact O-CB 3.39Å; A284-L288 WeakPolarHBondContact O-CG 3.3Å; A284-L288 PolarHBondContact O-N 3.39Å |
| 285 | G | 75.1 | Confident | 71.9 | Confident | 24 Ų | 24 | 90 Ų | 90 | 25% | 0.247 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -56.7 | -41.1 | -179 | 0 | 0 | 0 | 0 | 0 | 113.9 | L281 E282 R283 R289 | L281-G285 PolarHBondContact O-N 3.47Å; L281-G285 VanDerWaalsContact O-N 3.16Å; E282-G285 PolarHBondContact O-N 3.46Å; R283-G285 VanDerWaalsContact C-N 3.32Å; G285-R289 WeakPolarHBondContact O-CG 3.49Å; G285-R289 PolarHBondContact O-N 2.97Å; G285-R289 VanDerWaalsContact O-N 3.08Å |
| 286 | L | 75.8 | Confident | 73.1 | Confident | 131 Ų | 131 | 88.7 Ų | 88.7 | 69% | 0.686 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -66.2 | -41.9 | 173.7 | -73.6 | 170.7 | 0 | 0 | 0 | 112.1 | A284 R289 L290 | A284-L286 VanDerWaalsContact C-N 3.32Å; A284-L286 PolarHBondContact O-N 3.19Å; L286-R289 PolarHBondContact O-N 3.29Å; L286-L290 PolarHBondContact O-N 3.11Å |
| 287 | V | 79.6 | Confident | 74.6 | Confident | 77 Ų | 77 | 87.5 Ų | 87.5 | 47% | 0.467 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -64.8 | -45.6 | 178.5 | 178.2 | 0 | 0 | 0 | 0 | 110.1 | A284 R289 L290 L291 | A284-V287 CarbonylContact O-C 3.51Å; A284-V287 WeakPolarHBondContact O-CA 3.34Å; A284-V287 WeakPolarHBondContact O-CB 3.34Å; A284-V287 PolarHBondContact O-N 2.86Å; V287-R289 VanDerWaalsContact C-N 3.34Å; V287-R289 PolarHBondContact O-N 3.44Å; V287-L290 WeakPolarHBondContact O-CB 3.18Å; V287-L290 PolarHBondContact O-N 3.16Å; V287-L290 VanDerWaalsContact O-N 3.13Å; V287-L291 HydrophobicContact CG1-CD1 4.05Å; V287-L291 HydrophobicContact CG1-CG 4.2Å; V287-L291 VanDerWaalsContact O-CG 3.25Å; V287-L291 WeakPolarHBondContact O-CG 3.44Å; V287-L291 PolarHBondContact O-N 3.31Å |
| 288 | L | 75.7 | Confident | 76 | Confident | 39 Ų | 39 | 87 Ų | 87 | 20% | 0.204 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -60.8 | -39.8 | 176.4 | -74.3 | 170.8 | 0 | 0 | 0 | 112.2 | L269 A284 L291 R292 | L269-L288 HydrophobicContact CD2-CD1 3.92Å; L269-L288 HydrophobicContact CD2-CD2 3.95Å; L269-L288 HydrophobicContact CD2-CG 3.98Å; A284-L288 HydrophobicContact CB-CD1 4.49Å; A284-L288 WeakPolarHBondContact O-CB 3.39Å; A284-L288 WeakPolarHBondContact O-CG 3.3Å; A284-L288 PolarHBondContact O-N 3.39Å; L288-L291 HydrophobicContact CD2-CD1 4.38Å; L288-L291 PolarHBondContact O-N 3.39Å; L288-R292 WeakPolarHBondContact O-CG 3.48Å; L288-R292 PolarHBondContact O-N 3.12Å |
| 289 | R | 79.1 | Confident | 77.2 | Confident | 178 Ų | 178 | 84.3 Ų | 84.3 | 67% | 0.672 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -62.3 | -43.2 | 172.5 | -73.9 | 176.2 | -165.6 | 161.4 | 4.5 | 112 | G285 L286 V287 R292 A293 | G285-R289 WeakPolarHBondContact O-CG 3.49Å; G285-R289 PolarHBondContact O-N 2.97Å; G285-R289 VanDerWaalsContact O-N 3.08Å; L286-R289 PolarHBondContact O-N 3.29Å; V287-R289 VanDerWaalsContact C-N 3.34Å; V287-R289 PolarHBondContact O-N 3.44Å; R289-R292 PolarHBondContact O-N 3.3Å; R289-A293 PolarHBondContact O-N 3.26Å; R289-A293 VanDerWaalsContact O-N 3.15Å |
| 290 | L | 81.3 | Confident | 78.4 | Confident | 111 Ų | 111 | 80.7 Ų | 80.7 | 58% | 0.581 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -64.7 | -43.8 | 176.1 | -176.9 | 64.4 | 0 | 0 | 0 | 111.5 | L286 V287 R292 A293 L294 | L286-L290 PolarHBondContact O-N 3.11Å; V287-L290 WeakPolarHBondContact O-CB 3.18Å; V287-L290 PolarHBondContact O-N 3.16Å; V287-L290 VanDerWaalsContact O-N 3.13Å; L290-R292 VanDerWaalsContact C-N 3.3Å; L290-R292 PolarHBondContact O-N 2.97Å; L290-A293 WeakPolarHBondContact O-CB 3.17Å; L290-A293 PolarHBondContact O-N 2.93Å; L290-L294 WeakPolarHBondContact O-CG 3.4Å; L290-L294 PolarHBondContact O-N 3.18Å |
| 291 | L | 82.3 | Confident | 79.3 | Confident | 10 Ų | 10 | 76.7 Ų | 76.7 | 5% | 0.052 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -60.5 | -38.7 | 176.8 | -68.7 | 175.6 | 0 | 0 | 0 | 111.8 | L261 P262 V265 V287 L288 L294 R295 | L261-L291 HydrophobicContact CD2-CD2 3.5Å; L261-L291 VanDerWaalsContact CD2-CD2 3.5Å; P262-L291 HydrophobicContact CB-CB 4.26Å; P262-L291 WeakPolarHBondContact CB-O 3.23Å; P262-L291 WeakPolarHBondContact CG-O 3.45Å; V265-L291 HydrophobicContact CB-CD1 3.87Å; V265-L291 HydrophobicContact CG1-CD1 3.47Å; V265-L291 VanDerWaalsContact CG1-CD1 3.47Å; V287-L291 HydrophobicContact CG1-CD1 4.05Å; V287-L291 HydrophobicContact CG1-CG 4.2Å; V287-L291 VanDerWaalsContact O-CG 3.25Å; V287-L291 WeakPolarHBondContact O-CG 3.44Å; V287-L291 PolarHBondContact O-N 3.31Å; L288-L291 HydrophobicContact CD2-CD1 4.38Å; L288-L291 PolarHBondContact O-N 3.39Å; L291-L294 HydrophobicContact CD2-CD1 4.03Å; L291-L294 WeakPolarHBondContact O-CB 3.31Å; L291-L294 PolarHBondContact O-N 2.94Å; L291-R295 PolarHBondContact O-N 3.24Å |
| 292 | R | 79.9 | Confident | 80.2 | Confident | 111 Ų | 111 | 75.4 Ų | 75.4 | 42% | 0.419 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.8 | -44 | 171.9 | -72.3 | 178.2 | -166.2 | -167.1 | -5 | 111.5 | E207 L288 R289 L290 L294 R295 | E207-R292 IonicContact OE1-CZ 3.78Å; E207-R292 IonicContact OE1-NH1 3.07Å; E207-R292 IonicContact OE1-NH2 3.63Å; E207-R292 PolarHBondContact OE1-NH2 2.92Å; L288-R292 WeakPolarHBondContact O-CG 3.48Å; L288-R292 PolarHBondContact O-N 3.12Å; R289-R292 PolarHBondContact O-N 3.3Å; L290-R292 VanDerWaalsContact C-N 3.3Å; L290-R292 PolarHBondContact O-N 2.97Å; R292-L294 VanDerWaalsContact C-N 3.32Å; R292-L294 PolarHBondContact O-N 2.86Å; R292-R295 VanDerWaalsContact O-CB 3.25Å; R292-R295 WeakPolarHBondContact O-CB 3.44Å; R292-R295 WeakPolarHBondContact O-CG 3.25Å; R292-R295 PolarHBondContact O-N 3.08Å; R292-R295 VanDerWaalsContact O-N 3.16Å |
| 293 | A | 82 | Confident | 81.2 | Confident | 61 Ų | 61 | 68 Ų | 68 | 50% | 0.504 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.7 | -37.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | R289 L290 R295 V296 | R289-A293 PolarHBondContact O-N 3.26Å; R289-A293 VanDerWaalsContact O-N 3.15Å; L290-A293 WeakPolarHBondContact O-CB 3.17Å; L290-A293 PolarHBondContact O-N 2.93Å; A293-R295 PolarHBondContact O-N 3.32Å; A293-R295 VanDerWaalsContact O-N 3.11Å; A293-V296 WeakPolarHBondContact O-CB 3.42Å; A293-V296 WeakPolarHBondContact O-CG1 3.47Å; A293-V296 PolarHBondContact O-N 3.45Å; A293-V296 VanDerWaalsContact O-N 3.09Å |
| 294 | L | 85.3 | Confident | 81.9 | Confident | 47 Ų | 47 | 59.4 Ų | 59.4 | 25% | 0.246 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.4 | -17.8 | 175.9 | -68.6 | 178.3 | 0 | 0 | 0 | 113.5 | P262 L290 L291 R292 V296 L297 | P262-L294 HydrophobicContact CG-CB 3.72Å; L290-L294 WeakPolarHBondContact O-CG 3.4Å; L290-L294 PolarHBondContact O-N 3.18Å; L291-L294 HydrophobicContact CD2-CD1 4.03Å; L291-L294 WeakPolarHBondContact O-CB 3.31Å; L291-L294 PolarHBondContact O-N 2.94Å; R292-L294 VanDerWaalsContact C-N 3.32Å; R292-L294 PolarHBondContact O-N 2.86Å; L294-V296 PolarHBondContact O-N 3.46Å; L294-V296 VanDerWaalsContact O-N 3.16Å; L294-L297 HydrophobicContact CB-CD1 4.38Å; L294-L297 HydrophobicContact CD2-CD1 3.74Å; L294-L297 WeakPolarHBondContact O-CB 3.5Å; L294-L297 VanDerWaalsContact O-CG 3.3Å; L294-L297 WeakPolarHBondContact O-CG 3.23Å; L294-L297 PolarHBondContact O-N 3.27Å |
| 295 | R | 84.1 | Confident | 82.4 | Confident | 50 Ų | 50 | 61.6 Ų | 61.6 | 19% | 0.189 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -23.2 | 173.1 | -61.5 | 179.3 | -179 | -157.9 | -10.9 | 112.7 | L195 E223 P262 L291 R292 A293 L297 Y298 | L195-R295 HydrophobicContact CD1-CB 3.79Å; E223-R295 VanDerWaalsContact CD-NH1 3.34Å; E223-R295 IonicContact OE1-CZ 2.72Å; E223-R295 IonicContact OE1-NE 3.67Å; E223-R295 PolarHBondContact OE1-NE 3.46Å; E223-R295 IonicContact OE1-NH1 3.6Å; E223-R295 PolarHBondContact OE1-NH1 3.4Å; E223-R295 IonicContact OE1-NH2 2.84Å; E223-R295 PolarHBondContact OE1-NH2 2.94Å; E223-R295 IonicContact OE2-CZ 3.26Å; E223-R295 VanDerWaalsContact OE2-CZ 3.27Å; E223-R295 IonicContact OE2-NH1 2.93Å; E223-R295 PolarHBondContact OE2-NH1 3.31Å; E223-R295 IonicContact OE2-NH2 3.46Å; E223-R295 PolarHBondContact OE2-NH2 3.38Å; P262-R295 HydrophobicContact CB-CG 4.15Å; P262-R295 HydrophobicContact CG-CG 4.5Å; L291-R295 PolarHBondContact O-N 3.24Å; R292-R295 VanDerWaalsContact O-CB 3.25Å; R292-R295 WeakPolarHBondContact O-CB 3.44Å; R292-R295 WeakPolarHBondContact O-CG 3.25Å; R292-R295 PolarHBondContact O-N 3.08Å; R292-R295 VanDerWaalsContact O-N 3.16Å; A293-R295 PolarHBondContact O-N 3.32Å; A293-R295 VanDerWaalsContact O-N 3.11Å; R295-L297 PolarHBondContact O-N 3.24Å; R295-Y298 HydrophobicContact CB-CD1 4.45Å; R295-Y298 HydrophobicContact CB-CE1 4.23Å; R295-Y298 HydrophobicContact CG-CE1 4.33Å; R295-Y298 VanDerWaalsContact O-CB 3.22Å; R295-Y298 WeakPolarHBondContact O-CB 3.38Å; R295-Y298 WeakPolarHBondContact O-CD1 3.12Å; R295-Y298 PolarHBondContact O-N 3.4Å |
| 296 | V | 85.3 | Confident | 82.9 | Confident | 85 Ų | 85 | 62.3 Ų | 62.3 | 52% | 0.515 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -26.4 | 172.5 | 80 | 0 | 0 | 0 | 0 | 112.4 | L195 A293 L294 Y298 V299 | L195-V296 HydrophobicContact CD2-CB 4.28Å; L195-V296 HydrophobicContact CD2-CG2 4.4Å; A293-V296 WeakPolarHBondContact O-CB 3.42Å; A293-V296 WeakPolarHBondContact O-CG1 3.47Å; A293-V296 PolarHBondContact O-N 3.45Å; A293-V296 VanDerWaalsContact O-N 3.09Å; L294-V296 PolarHBondContact O-N 3.46Å; L294-V296 VanDerWaalsContact O-N 3.16Å; V296-Y298 PolarHBondContact O-N 3.39Å; V296-Y298 VanDerWaalsContact O-N 3.11Å; V296-V299 PolarHBondContact O-N 3.17Å |
| 297 | L | 86 | Confident | 83.3 | Confident | 45 Ų | 45 | 57.7 Ų | 57.7 | 24% | 0.236 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.6 | -14.5 | 176.3 | -59.5 | 178.8 | 0 | 0 | 0 | 112.7 | L258 L294 R295 V299 M300 | L258-L297 HydrophobicContact CB-CD1 3.83Å; L258-L297 HydrophobicContact CD1-CD1 4.36Å; L294-L297 HydrophobicContact CB-CD1 4.38Å; L294-L297 HydrophobicContact CD2-CD1 3.74Å; L294-L297 WeakPolarHBondContact O-CB 3.5Å; L294-L297 VanDerWaalsContact O-CG 3.3Å; L294-L297 WeakPolarHBondContact O-CG 3.23Å; L294-L297 PolarHBondContact O-N 3.27Å; R295-L297 PolarHBondContact O-N 3.24Å; L297-V299 PolarHBondContact O-N 3.06Å; L297-M300 HydrophobicContact CD2-CG 4.4Å; L297-M300 VanDerWaalsContact O-CB 3.32Å; L297-M300 WeakPolarHBondContact O-CB 3.33Å; L297-M300 PolarHBondContact O-N 3.47Å |
| 298 | Y | 86 | Confident | 83.4 | Confident | 11 Ų | 11 | 55 Ų | 55 | 4% | 0.043 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.2 | -38.1 | 177.3 | -70.2 | 30.2 | 0 | 0 | 0 | 109.8 | T191 V227 F230 A259 P262 R295 V296 M300 R301 | T191-Y298 HydrophobicContact CG2-CD2 4.3Å; V227-Y298 HydrophobicContact CG2-CE2 4.13Å; F230-Y298 HydrophobicContact CE2-CD2 4.38Å; A259-Y298 HydrophobicContact CB-CD1 3.63Å; A259-Y298 HydrophobicContact CB-CE1 4.01Å; A259-Y298 HydrophobicContact CB-CG 4.32Å; A259-Y298 WeakPolarHBondContact O-CE1 3.44Å; A259-Y298 PolarHBondContact O-OH 2.86Å; P262-Y298 HydrophobicContact CG-CE1 4.41Å; R295-Y298 HydrophobicContact CB-CD1 4.45Å; R295-Y298 HydrophobicContact CB-CE1 4.23Å; R295-Y298 HydrophobicContact CG-CE1 4.33Å; R295-Y298 VanDerWaalsContact O-CB 3.22Å; R295-Y298 WeakPolarHBondContact O-CB 3.38Å; R295-Y298 WeakPolarHBondContact O-CD1 3.12Å; R295-Y298 PolarHBondContact O-N 3.4Å; V296-Y298 PolarHBondContact O-N 3.39Å; V296-Y298 VanDerWaalsContact O-N 3.11Å; Y298-M300 VanDerWaalsContact C-N 3.25Å; Y298-M300 PolarHBondContact O-N 3.08Å; Y298-R301 VanDerWaalsContact O-CB 3.27Å; Y298-R301 WeakPolarHBondContact O-CB 3.4Å; Y298-R301 WeakPolarHBondContact O-CG 3.45Å; Y298-R301 PolarHBondContact O-N 3.06Å; Y298-R301 VanDerWaalsContact O-N 3.13Å |
| 299 | V | 86.7 | Confident | 83.9 | Confident | 57 Ų | 57 | 55.9 Ų | 55.9 | 35% | 0.345 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.8 | -33.8 | 176.2 | -176.6 | 0 | 0 | 0 | 0 | 110.9 | A192 V296 L297 R301 L302 | A192-V299 HydrophobicContact CB-CG2 3.98Å; V296-V299 PolarHBondContact O-N 3.17Å; L297-V299 PolarHBondContact O-N 3.06Å; V299-R301 PolarHBondContact O-N 3.42Å; V299-R301 VanDerWaalsContact O-N 3.13Å; V299-L302 WeakPolarHBondContact O-CB 3.4Å; V299-L302 PolarHBondContact O-N 3.45Å |
| 300 | M | 85.9 | Confident | 84.2 | Confident | 90 Ų | 90 | 52.1 Ų | 52.1 | 44% | 0.443 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.2 | -18.1 | 177.9 | -61.7 | -57.6 | -65.9 | 0 | 0 | 112.9 | I255 L297 Y298 L302 A303 | I255-M300 HydrophobicContact CG2-CB 3.81Å; L297-M300 HydrophobicContact CD2-CG 4.4Å; L297-M300 VanDerWaalsContact O-CB 3.32Å; L297-M300 WeakPolarHBondContact O-CB 3.33Å; L297-M300 PolarHBondContact O-N 3.47Å; Y298-M300 VanDerWaalsContact C-N 3.25Å; Y298-M300 PolarHBondContact O-N 3.08Å; M300-L302 PolarHBondContact O-N 3.34Å; M300-A303 WeakPolarHBondContact O-CB 3.49Å; M300-A303 PolarHBondContact O-N 3.02Å |
| 301 | R | 84.3 | Confident | 84.3 | Confident | 7 Ų | 7 | 46.9 Ų | 46.9 | 3% | 0.026 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -62.5 | -20.2 | 171.1 | -60.3 | -170.2 | 69.3 | -130 | -2.7 | 112.8 | V188 E233 I255 D256 A259 Y298 V299 A303 R304 | V188-R301 HydrophobicContact CG2-CB 4.31Å; E233-R301 IonicContact OE2-CZ 3.66Å; E233-R301 IonicContact OE2-NH2 3.59Å; E233-R301 PolarHBondContact OE2-NH2 3.03Å; I255-R301 HydrophobicContact CG2-CG 4.4Å; D256-R301 WeakPolarHBondContact OD1-CG 3.5Å; D256-R301 IonicContact OD1-CZ 3.99Å; D256-R301 IonicContact OD1-NE 3.93Å; D256-R301 PolarHBondContact OD1-NE 3.43Å; D256-R301 IonicContact OD1-NH2 2.99Å; D256-R301 IonicContact OD2-NH2 3.62Å; A259-R301 HydrophobicContact CB-CG 4.22Å; Y298-R301 VanDerWaalsContact O-CB 3.27Å; Y298-R301 WeakPolarHBondContact O-CB 3.4Å; Y298-R301 WeakPolarHBondContact O-CG 3.45Å; Y298-R301 PolarHBondContact O-N 3.06Å; Y298-R301 VanDerWaalsContact O-N 3.13Å; V299-R301 PolarHBondContact O-N 3.42Å; V299-R301 VanDerWaalsContact O-N 3.13Å; R301-A303 PolarHBondContact O-N 3.31Å; R301-A303 VanDerWaalsContact O-N 3.13Å; R301-R304 WeakPolarHBondContact O-CB 3.49Å; R301-R304 PolarHBondContact O-N 3.22Å |
| 302 | L | 85.3 | Confident | 84.5 | Confident | 61 Ų | 61 | 50.3 Ų | 50.3 | 32% | 0.319 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -58.3 | -23.9 | 170.1 | -169.3 | 64.9 | 0 | 0 | 0 | 112.1 | V185 V188 V299 M300 R304 H305 S306 L309 | V185-L302 HydrophobicContact CG1-CD1 4.44Å; V188-L302 HydrophobicContact CG1-CB 4.32Å; V299-L302 WeakPolarHBondContact O-CB 3.4Å; V299-L302 PolarHBondContact O-N 3.45Å; M300-L302 PolarHBondContact O-N 3.34Å; L302-R304 PolarHBondContact O-N 3.13Å; L302-H305 HydrophobicContact CD1-CB 4.5Å; L302-H305 CarbonylContact O-C 3.45Å; L302-H305 PolarHBondContact O-N 3.5Å; L302-S306 PolarHBondContact O-N 2.84Å; L302-L309 HydrophobicContact CB-CD1 4.04Å; L302-L309 HydrophobicContact CD2-CD1 4.15Å; L302-L309 HydrophobicContact CG-CD1 4.02Å |
| 303 | A | 85.3 | Confident | 84.8 | Confident | 9 Ų | 9 | 47.2 Ų | 47.2 | 7% | 0.074 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -58.6 | -26.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L252 M300 R301 H305 L309 R310 | L252-A303 HydrophobicContact CD2-CB 4.26Å; M300-A303 WeakPolarHBondContact O-CB 3.49Å; M300-A303 PolarHBondContact O-N 3.02Å; R301-A303 PolarHBondContact O-N 3.31Å; R301-A303 VanDerWaalsContact O-N 3.13Å; A303-H305 VanDerWaalsContact C-N 3.27Å; A303-H305 PolarHBondContact O-N 3.14Å; A303-L309 HydrophobicContact CB-CB 3.91Å; A303-L309 HydrophobicContact CB-CD1 4.39Å; A303-R310 WeakPolarHBondContact O-CG 3.46Å; A303-R310 PolarHBondContact O-NE 3.45Å; A303-R310 VanDerWaalsContact O-NE 3.13Å |
| 304 | R | 82.9 | Confident | 84.9 | Confident | 32 Ų | 32 | 47.1 Ų | 47.1 | 12% | 0.121 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -69.6 | -25.3 | 172.1 | -174.5 | 177.5 | -65.7 | -79.2 | 1 | 112.2 | N253 D256 R301 L302 R310 | N253-R304 PolarHBondContact OD1-NH2 3.3Å; D256-R304 IonicContact OD2-CZ 2.74Å; D256-R304 IonicContact OD2-NE 3.41Å; D256-R304 PolarHBondContact OD2-NE 3.48Å; D256-R304 IonicContact OD2-NH2 3.82Å; D256-R304 PolarHBondContact OD2-NH2 3.07Å; R301-R304 WeakPolarHBondContact O-CB 3.49Å; R301-R304 PolarHBondContact O-N 3.22Å; L302-R304 PolarHBondContact O-N 3.13Å; R304-R310 VanDerWaalsContact O-CZ 3.22Å; R304-R310 PolarHBondContact O-NE 3.04Å; R304-R310 PolarHBondContact O-NH2 3.21Å |
| 305 | H | 82.9 | Confident | 85 | Confident | 58 Ų | 58 | 45 Ų | 45 | 27% | 0.269 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | -13 | -176.1 | -61.5 | -78.2 | 0 | 0 | 0 | 113 | V185 L302 A303 | V185-H305 HydrophobicContact CG2-CB 3.62Å; L302-H305 HydrophobicContact CD1-CB 4.5Å; L302-H305 CarbonylContact O-C 3.45Å; L302-H305 PolarHBondContact O-N 3.5Å; A303-H305 VanDerWaalsContact C-N 3.27Å; A303-H305 PolarHBondContact O-N 3.14Å |
| 306 | S | 86.1 | Confident | 85.1 | Confident | 39 Ų | 39 | 46.4 Ų | 46.4 | 27% | 0.273 | 26% | 0.259 | S | S | . | . | trans | -108.2 | 116.4 | -179.7 | 175.4 | 0 | 0 | 0 | 0 | 112 | L302 G308 L309 R310 | L302-S306 PolarHBondContact O-N 2.84Å; S306-G308 PolarHBondContact O-N 3.15Å; S306-G308 PolarHBondContact OG-N 2.68Å; S306-L309 PolarHBondContact O-N 3.21Å; S306-L309 PolarHBondContact OG-N 3.02Å; S306-R310 WeakPolarHBondContact O-CG 3.4Å; S306-R310 PolarHBondContact O-N 2.7Å; S306-R310 VanDerWaalsContact O-N 3.17Å | ||
| 307 | L | 82.3 | Confident | 85.2 | Confident | 34 Ų | 34 | 49.1 Ų | 49.1 | 18% | 0.178 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -56.9 | -38.5 | 169.3 | -169.6 | 75.7 | 0 | 0 | 0 | 111.2 | R310 S311 Y413 L416 K417 Q420 | L307-R310 PolarHBondContact O-N 3.17Å; L307-S311 WeakPolarHBondContact O-CB 3.49Å; L307-S311 PolarHBondContact O-N 2.92Å; L307-Y413 HydrophobicContact CD2-CE2 4.01Å; L307-L416 HydrophobicContact CD1-CB 3.88Å; L307-L416 HydrophobicContact CG-CB 4.41Å; L307-K417 HydrophobicContact CD2-CB 4.17Å; L307-Q420 VanDerWaalsContact CD1-OE1 3.29Å |
| 308 | G | 83.3 | Confident | 85.3 | Confident | 21 Ų | 21 | 53.2 Ų | 53.2 | 22% | 0.216 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.5 | -47.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | S306 R310 S311 L312 | S306-G308 PolarHBondContact O-N 3.15Å; S306-G308 PolarHBondContact OG-N 2.68Å; G308-R310 PolarHBondContact O-N 2.89Å; G308-S311 WeakPolarHBondContact O-CB 3.38Å; G308-S311 PolarHBondContact O-N 3.47Å; G308-L312 WeakPolarHBondContact O-CG 3.38Å; G308-L312 PolarHBondContact O-N 3.26Å |
| 309 | L | 85.4 | Confident | 85.5 | Confident | 57 Ų | 57 | 52.7 Ų | 52.7 | 30% | 0.298 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -66.5 | -37 | 177.6 | -76.7 | 169.2 | 0 | 0 | 0 | 112.5 | L302 A303 S306 L312 G313 | L302-L309 HydrophobicContact CB-CD1 4.04Å; L302-L309 HydrophobicContact CD2-CD1 4.15Å; L302-L309 HydrophobicContact CG-CD1 4.02Å; A303-L309 HydrophobicContact CB-CB 3.91Å; A303-L309 HydrophobicContact CB-CD1 4.39Å; S306-L309 PolarHBondContact O-N 3.21Å; S306-L309 PolarHBondContact OG-N 3.02Å; L309-L312 HydrophobicContact CD2-CD1 4.3Å; L309-L312 PolarHBondContact O-N 3.15Å; L309-G313 PolarHBondContact O-N 3.13Å |
| 310 | R | 85 | Confident | 85.6 | Confident | 99 Ų | 99 | 52.7 Ų | 52.7 | 37% | 0.374 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.6 | -43.1 | 172.9 | -65.2 | 171.7 | 178.2 | -166.9 | -7.9 | 111.5 | A303 R304 S306 L307 G308 G313 L314 | A303-R310 WeakPolarHBondContact O-CG 3.46Å; A303-R310 PolarHBondContact O-NE 3.45Å; A303-R310 VanDerWaalsContact O-NE 3.13Å; R304-R310 VanDerWaalsContact O-CZ 3.22Å; R304-R310 PolarHBondContact O-NE 3.04Å; R304-R310 PolarHBondContact O-NH2 3.21Å; S306-R310 WeakPolarHBondContact O-CG 3.4Å; S306-R310 PolarHBondContact O-N 2.7Å; S306-R310 VanDerWaalsContact O-N 3.17Å; L307-R310 PolarHBondContact O-N 3.17Å; G308-R310 PolarHBondContact O-N 2.89Å; R310-G313 PolarHBondContact O-N 3.43Å; R310-L314 PolarHBondContact O-N 3.22Å |
| 311 | S | 83.3 | Confident | 85.8 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.5 | -43.8 | 175.2 | -176 | 0 | 0 | 0 | 0 | 111.2 | L307 G308 G313 L314 T315 Y413 | L307-S311 WeakPolarHBondContact O-CB 3.49Å; L307-S311 PolarHBondContact O-N 2.92Å; G308-S311 WeakPolarHBondContact O-CB 3.38Å; G308-S311 PolarHBondContact O-N 3.47Å; S311-G313 PolarHBondContact O-N 2.74Å; S311-L314 PolarHBondContact O-N 2.98Å; S311-T315 VanDerWaalsContact O-CB 3.31Å; S311-T315 WeakPolarHBondContact O-CB 3.35Å; S311-T315 WeakPolarHBondContact O-CG2 3.21Å; S311-T315 PolarHBondContact O-N 2.95Å; S311-T315 PolarHBondContact O-OG1 3.39Å; S311-Y413 VanDerWaalsContact OG-CA 3.28Å; S311-Y413 WeakPolarHBondContact OG-CA 3.48Å; S311-Y413 WeakPolarHBondContact OG-CB 3.2Å; S311-Y413 PolarHBondContact OG-N 2.99Å |
| 312 | L | 87.3 | Confident | 86.1 | Confident | 83 Ų | 83 | 60.5 Ų | 60.5 | 44% | 0.435 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -58.4 | -46.1 | 174.1 | -73.5 | 171 | 0 | 0 | 0 | 112 | G308 L309 L314 T315 V316 F409 | G308-L312 WeakPolarHBondContact O-CG 3.38Å; G308-L312 PolarHBondContact O-N 3.26Å; L309-L312 HydrophobicContact CD2-CD1 4.3Å; L309-L312 PolarHBondContact O-N 3.15Å; L312-L314 PolarHBondContact O-N 3.35Å; L312-T315 VanDerWaalsContact C-OG1 3.32Å; L312-T315 WeakPolarHBondContact CA-OG1 3.23Å; L312-T315 PolarHBondContact O-N 3.47Å; L312-T315 PolarHBondContact O-OG1 3.46Å; L312-V316 WeakPolarHBondContact O-CG2 3.31Å; L312-V316 PolarHBondContact O-N 2.79Å; L312-F409 HydrophobicContact CD2-CD2 3.68Å; L312-F409 HydrophobicContact CD2-CE2 3.54Å; L312-F409 HydrophobicContact CD2-CZ 4.35Å; L312-F409 HydrophobicContact CG-CD2 4.29Å; L312-F409 HydrophobicContact CG-CE2 3.76Å |
| 313 | G | 85.8 | Confident | 86.3 | Confident | 46 Ų | 46 | 61.3 Ų | 61.3 | 47% | 0.474 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.3 | -46.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L309 R310 S311 T315 V316 Q317 | L309-G313 PolarHBondContact O-N 3.13Å; R310-G313 PolarHBondContact O-N 3.43Å; S311-G313 PolarHBondContact O-N 2.74Å; G313-T315 VanDerWaalsContact C-N 3.27Å; G313-T315 PolarHBondContact O-N 2.84Å; G313-V316 PolarHBondContact O-N 3.45Å; G313-Q317 PolarHBondContact O-N 3.37Å; G313-Q317 VanDerWaalsContact O-N 3.09Å |
| 314 | L | 84.3 | Confident | 86.6 | Confident | 58 Ų | 58 | 62.8 Ų | 62.8 | 30% | 0.304 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.7 | -31.7 | 177.7 | -76.1 | 167.1 | 0 | 0 | 0 | 112.6 | R310 S311 L312 Q317 R318 L416 | R310-L314 PolarHBondContact O-N 3.22Å; S311-L314 PolarHBondContact O-N 2.98Å; L312-L314 PolarHBondContact O-N 3.35Å; L314-Q317 PolarHBondContact O-N 3.29Å; L314-R318 WeakPolarHBondContact O-CB 3.38Å; L314-R318 VanDerWaalsContact O-CG 3.25Å; L314-R318 WeakPolarHBondContact O-CG 3.49Å; L314-R318 PolarHBondContact O-N 3.08Å; L314-L416 HydrophobicContact CD1-CD1 3.72Å; L314-L416 HydrophobicContact CD1-CD2 3.85Å; L314-L416 HydrophobicContact CD1-CG 4.21Å |
| 315 | T | 87.3 | Confident | 87 | Confident | 4 Ų | 4 | 64.4 Ų | 64.4 | 3% | 0.025 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -77.9 | -37.5 | -179.2 | 48.1 | 0 | 0 | 0 | 0 | 111.7 | S311 L312 G313 Q317 R318 C319 F409 S412 | S311-T315 VanDerWaalsContact O-CB 3.31Å; S311-T315 WeakPolarHBondContact O-CB 3.35Å; S311-T315 WeakPolarHBondContact O-CG2 3.21Å; S311-T315 PolarHBondContact O-N 2.95Å; S311-T315 PolarHBondContact O-OG1 3.39Å; L312-T315 VanDerWaalsContact C-OG1 3.32Å; L312-T315 WeakPolarHBondContact CA-OG1 3.23Å; L312-T315 PolarHBondContact O-N 3.47Å; L312-T315 PolarHBondContact O-OG1 3.46Å; G313-T315 VanDerWaalsContact C-N 3.27Å; G313-T315 PolarHBondContact O-N 2.84Å; T315-Q317 VanDerWaalsContact C-N 3.28Å; T315-Q317 PolarHBondContact O-N 2.74Å; T315-R318 PolarHBondContact O-N 3.27Å; T315-C319 VanDerWaalsContact O-CB 3.24Å; T315-C319 WeakPolarHBondContact O-CB 3.04Å; T315-C319 PolarHBondContact O-N 2.86Å; T315-F409 VanDerWaalsContact CG2-CA 3.42Å; T315-F409 HydrophobicContact CG2-CB 4.16Å; T315-F409 HydrophobicContact CG2-CD2 4.1Å; T315-S412 VanDerWaalsContact CG2-OG 3.23Å; T315-S412 WeakPolarHBondContact CG2-OG 3.43Å |
| 316 | V | 87.1 | Confident | 87.4 | Confident | 78 Ų | 78 | 62.8 Ų | 62.8 | 47% | 0.473 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -57.9 | -43.9 | 167.1 | 171.6 | 0 | 0 | 0 | 0 | 110.7 | L312 G313 C319 A320 F323 | L312-V316 WeakPolarHBondContact O-CG2 3.31Å; L312-V316 PolarHBondContact O-N 2.79Å; G313-V316 PolarHBondContact O-N 3.45Å; V316-C319 CarbonylContact O-C 3.59Å; V316-A320 WeakPolarHBondContact O-CA 3.36Å; V316-A320 PolarHBondContact O-N 3.28Å; V316-F323 HydrophobicContact CG2-CE2 4.15Å; V316-F323 HydrophobicContact CG2-CZ 4.44Å |
| 317 | Q | 87.9 | Confident | 87.7 | Confident | 143 Ų | 143 | 66 Ų | 66 | 67% | 0.668 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -62.9 | -44.4 | 177.3 | -172.5 | -177.5 | 5.9 | 0 | 0 | 112.2 | G313 L314 T315 | G313-Q317 PolarHBondContact O-N 3.37Å; G313-Q317 VanDerWaalsContact O-N 3.09Å; L314-Q317 PolarHBondContact O-N 3.29Å; T315-Q317 VanDerWaalsContact C-N 3.28Å; T315-Q317 PolarHBondContact O-N 2.74Å |
| 318 | R | 87.5 | Confident | 88.2 | Confident | 131 Ų | 131 | 69 Ų | 69 | 49% | 0.494 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -71 | -35.9 | -179.8 | -72.2 | 170.1 | 177.7 | -167.8 | -6.3 | 112.7 | L314 T315 T408 S412 E415 | L314-R318 WeakPolarHBondContact O-CB 3.38Å; L314-R318 VanDerWaalsContact O-CG 3.25Å; L314-R318 WeakPolarHBondContact O-CG 3.49Å; L314-R318 PolarHBondContact O-N 3.08Å; T315-R318 PolarHBondContact O-N 3.27Å; R318-T408 HydrophobicContact CB-CG2 4Å; R318-S412 PolarHBondContact NH1-OG 3.4Å; R318-E415 IonicContact CZ-OE2 3.99Å; R318-E415 IonicContact NH1-OE2 3.52Å; R318-E415 PolarHBondContact NH1-OE2 2.87Å; R318-E415 IonicContact NH2-OE2 3.89Å; R318-E415 PolarHBondContact NH2-OE2 3.46Å |
| 319 | C | 89.9 | Confident | 88.6 | Confident | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 13.7 | 178.2 | -72.1 | 0 | 0 | 0 | 0 | 113.4 | T315 V316 R321 E322 F323 I405 T408 | T315-C319 VanDerWaalsContact O-CB 3.24Å; T315-C319 WeakPolarHBondContact O-CB 3.04Å; T315-C319 PolarHBondContact O-N 2.86Å; V316-C319 CarbonylContact O-C 3.59Å; C319-R321 PolarHBondContact O-N 3.36Å; C319-R321 VanDerWaalsContact O-N 3.08Å; C319-E322 HydrophobicContact CB-CB 4.25Å; C319-E322 WeakPolarHBondContact O-CA 3.4Å; C319-E322 WeakPolarHBondContact O-CB 3.45Å; C319-E322 PolarHBondContact O-N 3.11Å; C319-E322 PolarHBondContact SG-OE2 3.15Å; C319-F323 HydrophobicContact CB-CD2 3.9Å; C319-F323 HydrophobicContact CB-CE2 4.11Å; C319-F323 WeakPolarHBondContact O-CD2 3.46Å; C319-F323 PolarHBondContact O-N 3.25Å; C319-I405 HydrophobicContact CB-CG1 4.25Å; C319-T408 WeakPolarHBondContact SG-CB 3.49Å; C319-T408 WeakPolarHBondContact SG-CG2 3.31Å; C319-T408 PolarHBondContact SG-OG1 3.06Å; C319-T408 VanDerWaalsContact SG-OG1 3.34Å |
| 320 | A | 89.4 | Confident | 89 | Confident | 57 Ų | 57 | 71 Ų | 71 | 47% | 0.471 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -54.9 | -36.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | V316 G324 | V316-A320 WeakPolarHBondContact O-CA 3.36Å; V316-A320 PolarHBondContact O-N 3.28Å; A320-G324 PolarHBondContact O-N 3.4Å |
| 321 | R | 89.8 | Confident | 89.5 | Confident | 206 Ų | 206 | 69 Ų | 69 | 78% | 0.777 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -66 | -42.1 | 173.8 | -178.4 | -180 | 165 | -174.7 | -4 | 112.6 | C319 G324 L325 | C319-R321 PolarHBondContact O-N 3.36Å; C319-R321 VanDerWaalsContact O-N 3.08Å; R321-G324 PolarHBondContact O-N 2.95Å; R321-L325 HydrophobicContact CG-CD1 4.43Å; R321-L325 WeakPolarHBondContact O-CG 3.42Å; R321-L325 PolarHBondContact O-N 3.45Å |
| 322 | E | 90.8 | Very high | 90 | Very high | 54 Ų | 54 | 73.2 Ų | 73.2 | 25% | 0.252 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -68 | -42.9 | 179.6 | -64.2 | 170.7 | -164 | 0 | 0 | 111 | C319 G324 L325 L326 S404 | C319-E322 HydrophobicContact CB-CB 4.25Å; C319-E322 WeakPolarHBondContact O-CA 3.4Å; C319-E322 WeakPolarHBondContact O-CB 3.45Å; C319-E322 PolarHBondContact O-N 3.11Å; C319-E322 PolarHBondContact SG-OE2 3.15Å; E322-G324 VanDerWaalsContact C-N 3.34Å; E322-G324 PolarHBondContact O-N 2.83Å; E322-L325 PolarHBondContact O-N 2.92Å; E322-L326 PolarHBondContact O-N 3.09Å; E322-S404 PolarHBondContact OE1-OG 3.23Å; E322-S404 VanDerWaalsContact OE1-OG 3.13Å; E322-S404 VanDerWaalsContact OE2-CB 3.27Å; E322-S404 WeakPolarHBondContact OE2-CB 3.25Å; E322-S404 PolarHBondContact OE2-OG 3.41Å |
| 323 | F | 89.4 | Confident | 90.3 | Very high | 79 Ų | 79 | 69.6 Ų | 69.6 | 35% | 0.346 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -60.3 | -42.3 | 170.6 | -86.4 | -75.4 | 0 | 0 | 0 | 112 | V316 C319 L325 L326 L327 I405 | V316-F323 HydrophobicContact CG2-CE2 4.15Å; V316-F323 HydrophobicContact CG2-CZ 4.44Å; C319-F323 HydrophobicContact CB-CD2 3.9Å; C319-F323 HydrophobicContact CB-CE2 4.11Å; C319-F323 WeakPolarHBondContact O-CD2 3.46Å; C319-F323 PolarHBondContact O-N 3.25Å; F323-L325 VanDerWaalsContact C-N 3.35Å; F323-L325 PolarHBondContact O-N 2.94Å; F323-L326 PolarHBondContact O-N 3.21Å; F323-L327 WeakPolarHBondContact O-CB 3.44Å; F323-L327 PolarHBondContact O-N 3.18Å; F323-I405 HydrophobicContact CD1-CD1 3.97Å; F323-I405 HydrophobicContact CD2-CD1 4.06Å; F323-I405 HydrophobicContact CD2-CG1 4.22Å; F323-I405 HydrophobicContact CE1-CD1 3.72Å; F323-I405 HydrophobicContact CE2-CD1 3.81Å; F323-I405 HydrophobicContact CE2-CG1 3.88Å; F323-I405 HydrophobicContact CE2-CG2 3.85Å; F323-I405 HydrophobicContact CG-CD1 4.14Å; F323-I405 HydrophobicContact CZ-CD1 3.64Å; F323-I405 HydrophobicContact CZ-CG1 4.12Å; F323-I405 HydrophobicContact CZ-CG2 3.78Å |
| 324 | G | 91.4 | Very high | 90.7 | Very high | 40 Ų | 40 | 68.7 Ų | 68.7 | 41% | 0.412 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.5 | -41.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A320 R321 E322 L328 | A320-G324 PolarHBondContact O-N 3.4Å; R321-G324 PolarHBondContact O-N 2.95Å; E322-G324 VanDerWaalsContact C-N 3.34Å; E322-G324 PolarHBondContact O-N 2.83Å; G324-L328 VanDerWaalsContact O-CB 3.31Å; G324-L328 WeakPolarHBondContact O-CB 3.47Å; G324-L328 PolarHBondContact O-N 2.8Å |
| 325 | L | 90.8 | Very high | 91.2 | Very high | 66 Ų | 66 | 68.5 Ų | 68.5 | 35% | 0.346 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -67.2 | -41.3 | 175.1 | -71.2 | 172.3 | 0 | 0 | 0 | 112.2 | R321 E322 F323 L328 F329 | R321-L325 HydrophobicContact CG-CD1 4.43Å; R321-L325 WeakPolarHBondContact O-CG 3.42Å; R321-L325 PolarHBondContact O-N 3.45Å; E322-L325 PolarHBondContact O-N 2.92Å; F323-L325 VanDerWaalsContact C-N 3.35Å; F323-L325 PolarHBondContact O-N 2.94Å; L325-L328 PolarHBondContact O-N 2.95Å; L325-F329 HydrophobicContact CB-CE2 4.49Å; L325-F329 VanDerWaalsContact O-CD2 3.32Å; L325-F329 WeakPolarHBondContact O-CD2 3.49Å; L325-F329 WeakPolarHBondContact O-CG 3.48Å; L325-F329 PolarHBondContact O-N 3.41Å |
| 326 | L | 91.5 | Very high | 91.6 | Very high | 23 Ų | 23 | 72.9 Ų | 72.9 | 12% | 0.12 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -58.4 | -49.4 | 174.7 | 178.9 | 66.3 | 0 | 0 | 0 | 111.2 | E322 F323 L328 F329 L330 M398 P401 | E322-L326 PolarHBondContact O-N 3.09Å; F323-L326 PolarHBondContact O-N 3.21Å; L326-L328 VanDerWaalsContact C-N 3.34Å; L326-L328 PolarHBondContact O-N 2.96Å; L326-F329 PolarHBondContact O-N 3.08Å; L326-L330 WeakPolarHBondContact O-CB 3.28Å; L326-L330 PolarHBondContact O-N 3.41Å; L326-M398 HydrophobicContact CD1-CE 4.46Å; L326-M398 HydrophobicContact CD1-SD 3.61Å; L326-M398 HydrophobicContact CG-SD 4.37Å; L326-P401 HydrophobicContact CB-CB 3.88Å; L326-P401 HydrophobicContact CB-CG 4.07Å; L326-P401 HydrophobicContact CD1-CB 3.91Å; L326-P401 HydrophobicContact CD1-CG 3.74Å; L326-P401 HydrophobicContact CD2-CB 4.39Å; L326-P401 HydrophobicContact CG-CB 4.28Å; L326-P401 HydrophobicContact CG-CG 4.46Å |
| 327 | L | 92.3 | Very high | 92 | Very high | 108 Ų | 108 | 70.2 Ų | 70.2 | 57% | 0.565 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -63.1 | -41 | 178 | -176.7 | 62.9 | 0 | 0 | 0 | 111.5 | F323 L330 C331 | F323-L327 WeakPolarHBondContact O-CB 3.44Å; F323-L327 PolarHBondContact O-N 3.18Å; L327-L330 PolarHBondContact O-N 3.36Å; L327-C331 WeakPolarHBondContact O-CB 3.35Å; L327-C331 PolarHBondContact O-N 3.39Å; L327-C331 PolarHBondContact O-SG 2.77Å |
| 328 | L | 93.1 | Very high | 92.3 | Very high | 97 Ų | 97 | 63.4 Ų | 63.4 | 51% | 0.508 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -59.7 | -49.3 | 176.3 | 179 | 66 | 0 | 0 | 0 | 111.6 | G324 L325 L326 L330 C331 V332 | G324-L328 VanDerWaalsContact O-CB 3.31Å; G324-L328 WeakPolarHBondContact O-CB 3.47Å; G324-L328 PolarHBondContact O-N 2.8Å; L325-L328 PolarHBondContact O-N 2.95Å; L326-L328 VanDerWaalsContact C-N 3.34Å; L326-L328 PolarHBondContact O-N 2.96Å; L328-L330 VanDerWaalsContact C-N 3.35Å; L328-L330 PolarHBondContact O-N 3.32Å; L328-C331 PolarHBondContact O-N 3.47Å; L328-V332 HydrophobicContact CD1-CG2 4.47Å; L328-V332 WeakPolarHBondContact O-CG2 3.36Å; L328-V332 PolarHBondContact O-N 3.16Å |
| 329 | F | 92.3 | Very high | 92.7 | Very high | 92 Ų | 92 | 59.3 Ų | 59.3 | 40% | 0.404 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64.9 | -39.1 | 179 | -66.9 | -34.6 | 0 | 0 | 0 | 112.5 | L325 L326 V332 A333 L397 | L325-F329 HydrophobicContact CB-CE2 4.49Å; L325-F329 VanDerWaalsContact O-CD2 3.32Å; L325-F329 WeakPolarHBondContact O-CD2 3.49Å; L325-F329 WeakPolarHBondContact O-CG 3.48Å; L325-F329 PolarHBondContact O-N 3.41Å; L326-F329 PolarHBondContact O-N 3.08Å; F329-V332 PolarHBondContact O-N 3.13Å; F329-A333 VanDerWaalsContact O-CB 3.3Å; F329-A333 WeakPolarHBondContact O-CB 3.41Å; F329-A333 PolarHBondContact O-N 3.01Å; F329-L397 HydrophobicContact CB-CD1 4.49Å; F329-L397 HydrophobicContact CB-CD2 4.16Å; F329-L397 HydrophobicContact CG-CD2 4.38Å |
| 330 | L | 93.1 | Very high | 92.9 | Very high | 28 Ų | 28 | 63.1 Ų | 63.1 | 15% | 0.147 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.2 | -46.5 | 173.4 | -172.7 | 66.9 | 0 | 0 | 0 | 110.8 | L326 L327 L328 V332 A333 M334 M368 | L326-L330 WeakPolarHBondContact O-CB 3.28Å; L326-L330 PolarHBondContact O-N 3.41Å; L327-L330 PolarHBondContact O-N 3.36Å; L328-L330 VanDerWaalsContact C-N 3.35Å; L328-L330 PolarHBondContact O-N 3.32Å; L330-V332 PolarHBondContact O-N 3.49Å; L330-A333 PolarHBondContact O-N 3.24Å; L330-M334 HydrophobicContact CG-CE 4.09Å; L330-M334 HydrophobicContact CG-SD 4.36Å; L330-M334 WeakPolarHBondContact O-CB 3.48Å; L330-M334 VanDerWaalsContact O-CG 3.23Å; L330-M334 WeakPolarHBondContact O-CG 3.37Å; L330-M334 PolarHBondContact O-N 3.4Å; L330-M368 HydrophobicContact CD1-CB 4.2Å; L330-M368 HydrophobicContact CD1-CE 3.92Å; L330-M368 HydrophobicContact CD1-SD 4.07Å |
| 331 | C | 94.6 | Very high | 93.1 | Very high | 57 Ų | 57 | 60.4 Ų | 60.4 | 39% | 0.385 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60 | -45.3 | 176.9 | -73.7 | 0 | 0 | 0 | 0 | 113 | L327 L328 M334 A335 | L327-C331 WeakPolarHBondContact O-CB 3.35Å; L327-C331 PolarHBondContact O-N 3.39Å; L327-C331 PolarHBondContact O-SG 2.77Å; L328-C331 PolarHBondContact O-N 3.47Å; C331-M334 HydrophobicContact CB-CE 4.36Å; C331-M334 PolarHBondContact O-N 2.87Å; C331-A335 WeakPolarHBondContact O-CB 3.36Å; C331-A335 PolarHBondContact O-N 2.84Å |
| 332 | V | 94.9 | Very high | 93.2 | Very high | 88 Ų | 88 | 51.5 Ų | 51.5 | 53% | 0.533 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.5 | -45.5 | 177.5 | 170.5 | 0 | 0 | 0 | 0 | 111 | L328 F329 L330 A335 L336 | L328-V332 HydrophobicContact CD1-CG2 4.47Å; L328-V332 WeakPolarHBondContact O-CG2 3.36Å; L328-V332 PolarHBondContact O-N 3.16Å; F329-V332 PolarHBondContact O-N 3.13Å; L330-V332 PolarHBondContact O-N 3.49Å; V332-A335 PolarHBondContact O-N 3.49Å; V332-L336 PolarHBondContact O-N 3.27Å; V332-L336 VanDerWaalsContact O-N 3.08Å |
| 333 | A | 93.8 | Very high | 93.2 | Very high | 7 Ų | 7 | 53.6 Ų | 53.6 | 6% | 0.058 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66.3 | -40.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | F329 L330 L336 F337 M368 L397 | F329-A333 VanDerWaalsContact O-CB 3.3Å; F329-A333 WeakPolarHBondContact O-CB 3.41Å; F329-A333 PolarHBondContact O-N 3.01Å; L330-A333 PolarHBondContact O-N 3.24Å; A333-L336 PolarHBondContact O-N 3.04Å; A333-L336 VanDerWaalsContact O-N 3.17Å; A333-F337 HydrophobicContact CB-CD2 4.2Å; A333-F337 HydrophobicContact CB-CE2 4.28Å; A333-F337 WeakPolarHBondContact O-CD2 3.49Å; A333-F337 PolarHBondContact O-N 3.29Å; A333-M368 HydrophobicContact CB-CE 3.24Å; A333-M368 HydrophobicContact CB-SD 3.8Å; A333-L397 HydrophobicContact CB-CD1 3.85Å |
| 334 | M | 94.2 | Very high | 93.3 | Very high | 27 Ų | 27 | 50.2 Ų | 50.2 | 13% | 0.133 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.5 | -45.3 | 172.9 | -72.2 | -174.7 | -63.6 | 0 | 0 | 112 | L330 C331 L336 A338 Y361 A364 V365 M368 | L330-M334 HydrophobicContact CG-CE 4.09Å; L330-M334 HydrophobicContact CG-SD 4.36Å; L330-M334 WeakPolarHBondContact O-CB 3.48Å; L330-M334 VanDerWaalsContact O-CG 3.23Å; L330-M334 WeakPolarHBondContact O-CG 3.37Å; L330-M334 PolarHBondContact O-N 3.4Å; C331-M334 HydrophobicContact CB-CE 4.36Å; C331-M334 PolarHBondContact O-N 2.87Å; M334-L336 PolarHBondContact O-N 3.49Å; M334-A338 WeakPolarHBondContact O-CB 3.29Å; M334-A338 PolarHBondContact O-N 3.27Å; M334-Y361 HydrophobicContact CB-CD1 4.17Å; M334-Y361 WeakPolarHBondContact O-CE1 3.48Å; M334-A364 HydrophobicContact CG-CB 4.19Å; M334-V365 HydrophobicContact CE-CG2 4.45Å; M334-V365 HydrophobicContact CG-CG2 4.4Å; M334-V365 HydrophobicContact SD-CB 4.33Å; M334-V365 HydrophobicContact SD-CG2 3.12Å; M334-V365 WeakPolarHBondContact SD-CG2 3.41Å; M334-M368 HydrophobicContact CG-SD 4.29Å |
| 335 | A | 95 | Very high | 93.2 | Very high | 53 Ų | 53 | 48.7 Ų | 48.7 | 44% | 0.438 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.6 | -23.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | C331 V332 P339 | C331-A335 WeakPolarHBondContact O-CB 3.36Å; C331-A335 PolarHBondContact O-N 2.84Å; V332-A335 PolarHBondContact O-N 3.49Å; A335-P339 VanDerWaalsContact O-CD 3.23Å; A335-P339 WeakPolarHBondContact O-CD 3.33Å; A335-P339 VanDerWaalsContact O-CG 3.22Å; A335-P339 WeakPolarHBondContact O-CG 3.48Å |
| 336 | L | 95.6 | Very high | 92.9 | Very high | 96 Ų | 96 | 53.7 Ų | 53.7 | 50% | 0.503 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -90 | -50.9 | 177.7 | -173.2 | 131.7 | 0 | 0 | 0 | 112.7 | V332 A333 M334 L340 | V332-L336 PolarHBondContact O-N 3.27Å; V332-L336 VanDerWaalsContact O-N 3.08Å; A333-L336 PolarHBondContact O-N 3.04Å; A333-L336 VanDerWaalsContact O-N 3.17Å; M334-L336 PolarHBondContact O-N 3.49Å; L336-L340 HydrophobicContact CD2-CD1 4.07Å; L336-L340 HydrophobicContact CG-CD1 4.45Å; L336-L340 WeakPolarHBondContact O-CD1 3.24Å; L336-L340 VanDerWaalsContact O-CG 3.27Å; L336-L340 WeakPolarHBondContact O-CG 3.23Å |
| 337 | F | 94.9 | Very high | 92.5 | Very high | 22 Ų | 22 | 59 Ų | 59 | 10% | 0.096 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -81.1 | -31 | -172.8 | -68 | -65.4 | 0 | 0 | 0 | 113.9 | A333 L340 V341 V386 | A333-F337 HydrophobicContact CB-CD2 4.2Å; A333-F337 HydrophobicContact CB-CE2 4.28Å; A333-F337 WeakPolarHBondContact O-CD2 3.49Å; A333-F337 PolarHBondContact O-N 3.29Å; F337-L340 HydrophobicContact CD1-CD1 4.47Å; F337-L340 PolarHBondContact O-N 2.99Å; F337-V341 PolarHBondContact O-N 3.24Å; F337-V386 HydrophobicContact CD1-CG1 4.38Å |
| 338 | A | 94.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -67.5 | -41.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | M334 L340 V341 H342 S360 Y361 A364 | M334-A338 WeakPolarHBondContact O-CB 3.29Å; M334-A338 PolarHBondContact O-N 3.27Å; A338-L340 VanDerWaalsContact C-N 3.35Å; A338-V341 WeakPolarHBondContact O-CG1 3.46Å; A338-H342 VanDerWaalsContact O-CB 3.31Å; A338-H342 WeakPolarHBondContact O-CB 3.33Å; A338-H342 PolarHBondContact O-N 3.49Å; A338-H342 VanDerWaalsContact O-N 3.09Å; A338-S360 WeakPolarHBondContact O-CB 3.1Å; A338-Y361 HydrophobicContact CB-CD1 3.34Å; A338-Y361 HydrophobicContact CB-CE1 3.67Å; A338-Y361 HydrophobicContact CB-CG 4.39Å; A338-A364 HydrophobicContact CB-CB 4.12Å |
| 339 | P | 94.8 | Very high | 90.4 | Very high | 46 Ų | 46 | 56.3 Ų | 56.3 | 30% | 0.299 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65.5 | -36.5 | 171.3 | -20.2 | 31.8 | 0 | 0 | 0 | 113 | A335 H342 L343 V357 | A335-P339 VanDerWaalsContact O-CD 3.23Å; A335-P339 WeakPolarHBondContact O-CD 3.33Å; A335-P339 VanDerWaalsContact O-CG 3.22Å; A335-P339 WeakPolarHBondContact O-CG 3.48Å; P339-H342 PolarHBondContact O-N 3.41Å; P339-L343 WeakPolarHBondContact O-CB 3.47Å; P339-L343 PolarHBondContact O-N 3Å; P339-V357 HydrophobicContact CB-CG1 4.38Å; P339-V357 HydrophobicContact CB-CG2 4.47Å; P339-V357 HydrophobicContact CG-CG1 3.81Å |
| 340 | L | 93.7 | Very high | 88.8 | Confident | 80 Ų | 80 | 57.4 Ų | 57.4 | 42% | 0.419 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.8 | -45.4 | -179.8 | -72.1 | 173.4 | 0 | 0 | 0 | 112.1 | L336 F337 A338 L343 A344 V386 | L336-L340 HydrophobicContact CD2-CD1 4.07Å; L336-L340 HydrophobicContact CG-CD1 4.45Å; L336-L340 WeakPolarHBondContact O-CD1 3.24Å; L336-L340 VanDerWaalsContact O-CG 3.27Å; L336-L340 WeakPolarHBondContact O-CG 3.23Å; F337-L340 HydrophobicContact CD1-CD1 4.47Å; F337-L340 PolarHBondContact O-N 2.99Å; A338-L340 VanDerWaalsContact C-N 3.35Å; L340-L343 PolarHBondContact O-N 3.28Å; L340-A344 WeakPolarHBondContact O-CB 3.39Å; L340-A344 PolarHBondContact O-N 3.36Å; L340-V386 HydrophobicContact CB-CG1 3.85Å; L340-V386 HydrophobicContact CB-CG2 4.23Å |
| 341 | V | 93.6 | Very high | 87.4 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -69.1 | -37.1 | 176.4 | 75 | 0 | 0 | 0 | 0 | 111.1 | F337 A338 L343 A344 E345 F354 W363 P378 V386 | F337-V341 PolarHBondContact O-N 3.24Å; A338-V341 WeakPolarHBondContact O-CG1 3.46Å; V341-L343 VanDerWaalsContact C-N 3.33Å; V341-L343 PolarHBondContact O-N 3.25Å; V341-A344 PolarHBondContact O-N 2.93Å; V341-E345 HydrophobicContact CG2-CG 4.18Å; V341-E345 WeakPolarHBondContact O-CB 3.17Å; V341-E345 WeakPolarHBondContact O-CG 3.41Å; V341-E345 PolarHBondContact O-N 2.78Å; V341-F354 HydrophobicContact CG1-CD1 4.05Å; V341-F354 HydrophobicContact CG1-CE1 3.83Å; V341-F354 HydrophobicContact CG2-CE1 4.03Å; V341-F354 HydrophobicContact CG2-CZ 4.09Å; V341-W363 HydrophobicContact CB-CE3 4.33Å; V341-W363 HydrophobicContact CB-CH2 4.09Å; V341-W363 HydrophobicContact CB-CZ3 3.78Å; V341-W363 HydrophobicContact CG1-CD2 4.46Å; V341-W363 HydrophobicContact CG1-CE3 3.61Å; V341-W363 HydrophobicContact CG1-CH2 4.26Å; V341-W363 HydrophobicContact CG1-CZ3 3.49Å; V341-W363 VanDerWaalsContact CG1-CZ3 3.49Å; V341-W363 HydrophobicContact CG2-CE3 4.42Å; V341-W363 HydrophobicContact CG2-CH2 3.91Å; V341-W363 HydrophobicContact CG2-CZ2 4.3Å; V341-W363 HydrophobicContact CG2-CZ3 4Å; V341-P378 HydrophobicContact CG2-CB 3.83Å; V341-P378 HydrophobicContact CG2-CG 4.2Å; V341-V386 HydrophobicContact CB-CG1 4.02Å |
| 342 | H | 92.6 | Very high | 86.2 | Confident | 18 Ų | 18 | 71.1 Ų | 71.1 | 8% | 0.083 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -60.4 | -45.8 | 176.2 | 178.1 | 66.9 | 0 | 0 | 0 | 110.7 | A338 P339 R346 F354 V357 | A338-H342 VanDerWaalsContact O-CB 3.31Å; A338-H342 WeakPolarHBondContact O-CB 3.33Å; A338-H342 PolarHBondContact O-N 3.49Å; A338-H342 VanDerWaalsContact O-N 3.09Å; P339-H342 PolarHBondContact O-N 3.41Å; H342-R346 PolarHBondContact NE2-NH1 2.84Å; H342-R346 WeakPolarHBondContact O-CB 3.45Å; H342-R346 PolarHBondContact O-N 3.33Å; H342-F354 PolarHBondContact CE1-O 3.15Å; H342-F354 PolarHBondContact ND1-O 3.17Å; H342-V357 HydrophobicContact CB-CG2 4.39Å |
| 343 | L | 91.6 | Very high | 85.4 | Confident | 98 Ų | 98 | 70 Ų | 70 | 51% | 0.513 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.6 | -47.9 | 177 | -176.9 | 67.1 | 0 | 0 | 0 | 111.3 | P339 L340 V341 E345 R346 E347 | P339-L343 WeakPolarHBondContact O-CB 3.47Å; P339-L343 PolarHBondContact O-N 3Å; L340-L343 PolarHBondContact O-N 3.28Å; V341-L343 VanDerWaalsContact C-N 3.33Å; V341-L343 PolarHBondContact O-N 3.25Å; L343-E345 PolarHBondContact O-N 3.28Å; L343-R346 PolarHBondContact O-N 3.03Å; L343-E347 HydrophobicContact CD1-CG 3.61Å; L343-E347 HydrophobicContact CG-CG 4.33Å; L343-E347 WeakPolarHBondContact O-CB 3.49Å; L343-E347 WeakPolarHBondContact O-CG 3.32Å; L343-E347 PolarHBondContact O-N 2.92Å |
| 344 | A | 90.8 | Very high | 85 | Confident | 9 Ų | 9 | 70 Ų | 70 | 7% | 0.074 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -59.6 | -44.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L340 V341 L348 P382 | L340-A344 WeakPolarHBondContact O-CB 3.39Å; L340-A344 PolarHBondContact O-N 3.36Å; V341-A344 PolarHBondContact O-N 2.93Å; A344-L348 WeakPolarHBondContact O-CB 3.36Å; A344-L348 PolarHBondContact O-N 3.34Å; A344-L348 VanDerWaalsContact O-N 3.13Å; A344-P382 HydrophobicContact CB-CB 4.14Å; A344-P382 HydrophobicContact CB-CG 4.23Å |
| 345 | E | 89.8 | Confident | 84.7 | Confident | 7 Ų | 7 | 73 Ų | 73 | 3% | 0.033 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -79.3 | -27.6 | -179.4 | -67 | -64.9 | 132.6 | 0 | 0 | 113.1 | V341 L343 G349 F354 P378 R379 S380 | V341-E345 HydrophobicContact CG2-CG 4.18Å; V341-E345 WeakPolarHBondContact O-CB 3.17Å; V341-E345 WeakPolarHBondContact O-CG 3.41Å; V341-E345 PolarHBondContact O-N 2.78Å; L343-E345 PolarHBondContact O-N 3.28Å; E345-G349 WeakPolarHBondContact O-CA 3.09Å; E345-G349 PolarHBondContact O-N 3.44Å; E345-F354 HydrophobicContact CB-CB 4.37Å; E345-F354 HydrophobicContact CB-CD2 3.73Å; E345-F354 HydrophobicContact CB-CE2 4.36Å; E345-F354 HydrophobicContact CB-CG 4.21Å; E345-F354 HydrophobicContact CG-CD2 3.67Å; E345-F354 HydrophobicContact CG-CE2 3.78Å; E345-F354 HydrophobicContact CG-CG 4.38Å; E345-P378 VanDerWaalsContact CD-CA 3.45Å; E345-P378 HydrophobicContact CG-CB 3.89Å; E345-P378 WeakPolarHBondContact OE1-CA 3.23Å; E345-P378 VanDerWaalsContact OE1-CB 3.25Å; E345-P378 WeakPolarHBondContact OE1-CB 3.44Å; E345-R379 VanDerWaalsContact CD-N 3.29Å; E345-R379 PolarHBondContact OE1-N 3.5Å; E345-R379 PolarHBondContact OE2-N 3.1Å; E345-S380 VanDerWaalsContact OE1-CB 3.24Å; E345-S380 WeakPolarHBondContact OE1-CB 3.27Å; E345-S380 PolarHBondContact OE1-N 3.44Å; E345-S380 PolarHBondContact OE1-OG 3.26Å |
| 346 | R | 84.9 | Confident | 84.5 | Confident | 172 Ų | 172 | 72.6 Ų | 72.6 | 65% | 0.649 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -78.2 | -39.1 | 178.9 | -174.7 | 178.2 | 178.2 | 176.7 | -2.7 | 112.9 | H342 L343 | H342-R346 PolarHBondContact NE2-NH1 2.84Å; H342-R346 WeakPolarHBondContact O-CB 3.45Å; H342-R346 PolarHBondContact O-N 3.33Å; L343-R346 PolarHBondContact O-N 3.03Å |
| 347 | E | 81.2 | Confident | 84.3 | Confident | 135 Ų | 135 | 70 Ų | 70 | 63% | 0.631 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -88.2 | -32 | -177.4 | -63 | -69.6 | 153.5 | 0 | 0 | 112.3 | L343 | L343-E347 HydrophobicContact CD1-CG 3.61Å; L343-E347 HydrophobicContact CG-CG 4.33Å; L343-E347 WeakPolarHBondContact O-CB 3.49Å; L343-E347 WeakPolarHBondContact O-CG 3.32Å; L343-E347 PolarHBondContact O-N 2.92Å |
| 348 | L | 71.8 | Confident | 84.3 | Confident | 120 Ų | 120 | 73.3 Ų | 73.3 | 63% | 0.628 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -116.6 | -5 | -176.2 | -63.4 | 98.8 | 0 | 0 | 0 | 114.7 | A344 P382 | A344-L348 WeakPolarHBondContact O-CB 3.36Å; A344-L348 PolarHBondContact O-N 3.34Å; A344-L348 VanDerWaalsContact O-N 3.13Å; L348-P382 HydrophobicContact CB-CG 4.28Å; L348-P382 HydrophobicContact CD1-CG 4.07Å; L348-P382 HydrophobicContact CD2-CG 3.99Å; L348-P382 HydrophobicContact CG-CG 4.34Å |
| 349 | G | 70.3 | Confident | 84.1 | Confident | 27 Ų | 27 | 74.8 Ų | 74.8 | 28% | 0.278 | 40% | 0.399 | S | S | . | . | trans | -101.2 | 151 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | E345 | E345-G349 WeakPolarHBondContact O-CA 3.09Å; E345-G349 PolarHBondContact O-N 3.44Å | ||
| 350 | A | 58.8 | Low | 84 | Confident | 115 Ų | 115 | 72.6 Ų | 72.6 | 95% | 0.95 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -90.7 | -6.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 351 | R | 64.4 | Low | 84.1 | Confident | 138 Ų | 138 | 73.1 Ų | 73.1 | 52% | 0.521 | 38% | 0.382 | S | S | . | . | trans | -119.4 | 141.7 | -178.6 | -90.6 | -170.7 | 178.3 | -165.6 | -3.2 | 112.2 | D353 R379 | R351-D353 VanDerWaalsContact C-N 3.32Å; R351-D353 PolarHBondContact O-N 3.08Å; R351-R379 VanDerWaalsContact NH1-NH2 3.18Å | ||
| 352 | R | 68.9 | Low | 84.2 | Confident | 235 Ų | 235 | 79 Ų | 79 | 89% | 0.887 | 40% | 0.404 | S | S | * | . | trans | -92.2 | 29.5 | -178.8 | -70.6 | -177.6 | 166.8 | 169.3 | -3.2 | 113.9 | F354 | R352-F354 PolarHBondContact O-N 2.86Š| ||
| 353 | D | 78.4 | Confident | 84.3 | Confident | 64 Ų | 64 | 78.5 Ų | 78.5 | 34% | 0.342 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -61.2 | -32 | 179.3 | -59.3 | -17.3 | 0 | 0 | 0 | 110.1 | R351 S355 M376 | R351-D353 VanDerWaalsContact C-N 3.32Å; R351-D353 PolarHBondContact O-N 3.08Å; D353-S355 PolarHBondContact O-N 2.89Å; D353-M376 WeakPolarHBondContact O-CE 3.33Å |
| 354 | F | 84.6 | Confident | 84.4 | Confident | 9 Ų | 9 | 73.9 Ų | 73.9 | 4% | 0.039 | 38% | 0.377 | C | S | . | . | trans | -91.7 | 71.7 | 172.5 | -64.3 | -91.2 | 0 | 0 | 0 | 112 | V341 H342 E345 R352 S356 W363 M376 P378 | V341-F354 HydrophobicContact CG1-CD1 4.05Å; V341-F354 HydrophobicContact CG1-CE1 3.83Å; V341-F354 HydrophobicContact CG2-CE1 4.03Å; V341-F354 HydrophobicContact CG2-CZ 4.09Å; H342-F354 PolarHBondContact CE1-O 3.15Å; H342-F354 PolarHBondContact ND1-O 3.17Å; E345-F354 HydrophobicContact CB-CB 4.37Å; E345-F354 HydrophobicContact CB-CD2 3.73Å; E345-F354 HydrophobicContact CB-CE2 4.36Å; E345-F354 HydrophobicContact CB-CG 4.21Å; E345-F354 HydrophobicContact CG-CD2 3.67Å; E345-F354 HydrophobicContact CG-CE2 3.78Å; E345-F354 HydrophobicContact CG-CG 4.38Å; R352-F354 PolarHBondContact O-N 2.86Å; F354-S356 PolarHBondContact O-N 3.26Å; F354-W363 HydrophobicContact CE1-CB 3.93Å; F354-W363 AromaticContact CE1-CD2 3.9Å; F354-W363 HydrophobicContact CE1-CD2 3.9Å; F354-W363 HydrophobicContact CE1-CE3 4.27Å; F354-W363 AromaticContact CE1-CG 3.73Å; F354-W363 HydrophobicContact CE1-CG 3.73Å; F354-W363 HydrophobicContact CZ-CD2 4.19Å; F354-W363 AromaticContact CZ-CG 3.99Å; F354-W363 HydrophobicContact CZ-CG 3.99Å; F354-M376 HydrophobicContact CD1-CE 3.58Å; F354-M376 HydrophobicContact CE1-CE 3.74Å; F354-M376 HydrophobicContact CG-CE 4.08Å; F354-M376 HydrophobicContact CZ-CB 4.42Å; F354-M376 HydrophobicContact CZ-CE 4.33Å; F354-P378 HydrophobicContact CE2-CB 4.38Å; F354-P378 HydrophobicContact CZ-CB 4.38Å | ||
| 355 | S | 87.4 | Confident | 84.6 | Confident | 88 Ų | 88 | 75.8 Ų | 75.8 | 62% | 0.615 | 39% | 0.388 | S | S | * | . | trans | -66.7 | -33.6 | -174.5 | 63.1 | 0 | 0 | 0 | 0 | 114.8 | D353 | D353-S355 PolarHBondContact O-N 2.89Š| ||
| 356 | S | 91.1 | Very high | 84.9 | Confident | 45 Ų | 45 | 75.7 Ų | 75.7 | 32% | 0.315 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -153.1 | 162.1 | -177.7 | 65.3 | 0 | 0 | 0 | 0 | 111.6 | F354 A359 S360 | F354-S356 PolarHBondContact O-N 3.26Å; S356-A359 PolarHBondContact O-N 3.25Å; S356-A359 WeakPolarHBondContact OG-CB 3.31Å; S356-A359 PolarHBondContact OG-N 3.21Å; S356-S360 PolarHBondContact O-N 3.44Å; S356-S360 PolarHBondContact O-OG 2.86Å |
| 357 | V | 92.4 | Very high | 85.3 | Confident | 43 Ų | 43 | 68.2 Ų | 68.2 | 26% | 0.261 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -59.2 | -44.8 | 175.1 | 177.6 | 0 | 0 | 0 | 0 | 111.8 | P339 H342 A359 S360 Y361 | P339-V357 HydrophobicContact CB-CG1 4.38Å; P339-V357 HydrophobicContact CB-CG2 4.47Å; P339-V357 HydrophobicContact CG-CG1 3.81Å; H342-V357 HydrophobicContact CB-CG2 4.39Å; V357-A359 VanDerWaalsContact C-N 3.34Å; V357-A359 PolarHBondContact O-N 3.27Å; V357-S360 CarbonylContact O-C 3.59Å; V357-S360 WeakPolarHBondContact O-CA 3.39Å; V357-S360 VanDerWaalsContact O-CB 3.31Å; V357-S360 WeakPolarHBondContact O-CB 3.39Å; V357-S360 PolarHBondContact O-N 3.43Å; V357-Y361 HydrophobicContact CG1-CE1 4.17Å; V357-Y361 PolarHBondContact O-N 2.7Å; V357-Y361 VanDerWaalsContact O-N 3.12Å |
| 358 | P | 93.7 | Very high | 85.9 | Confident | 90 Ų | 90 | 61.9 Ų | 61.9 | 58% | 0.584 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -61.8 | -37.2 | 174.9 | -25.5 | 36.6 | 0 | 0 | 0 | 114 | S360 Y361 | P358-S360 PolarHBondContact O-N 3.46Å; P358-Y361 HydrophobicContact CB-CD2 4.39Å; P358-Y361 WeakPolarHBondContact O-CB 3.43Å; P358-Y361 PolarHBondContact O-N 3.13Å |
| 359 | A | 91.6 | Very high | 87 | Confident | 31 Ų | 31 | 58.2 Ų | 58.2 | 26% | 0.256 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.3 | -33.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | S356 V357 Y361 W362 | S356-A359 PolarHBondContact O-N 3.25Å; S356-A359 WeakPolarHBondContact OG-CB 3.31Å; S356-A359 PolarHBondContact OG-N 3.21Å; V357-A359 VanDerWaalsContact C-N 3.34Å; V357-A359 PolarHBondContact O-N 3.27Å; A359-Y361 VanDerWaalsContact C-N 3.28Å; A359-Y361 PolarHBondContact O-N 3.07Å; A359-W362 WeakPolarHBondContact O-CB 3.32Å; A359-W362 PolarHBondContact O-N 2.89Å |
| 360 | S | 93.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -71.2 | -20.3 | 176.9 | -49.8 | 0 | 0 | 0 | 0 | 112.9 | A338 S356 V357 P358 W362 W363 A364 | A338-S360 WeakPolarHBondContact O-CB 3.1Å; S356-S360 PolarHBondContact O-N 3.44Å; S356-S360 PolarHBondContact O-OG 2.86Å; V357-S360 CarbonylContact O-C 3.59Å; V357-S360 WeakPolarHBondContact O-CA 3.39Å; V357-S360 VanDerWaalsContact O-CB 3.31Å; V357-S360 WeakPolarHBondContact O-CB 3.39Å; V357-S360 PolarHBondContact O-N 3.43Å; P358-S360 PolarHBondContact O-N 3.46Å; S360-W362 VanDerWaalsContact C-N 3.31Å; S360-W362 PolarHBondContact O-N 3.34Å; S360-W363 PolarHBondContact O-N 3.49Å; S360-A364 PolarHBondContact O-N 3.28Å |
| 361 | Y | 95.3 | Very high | 89.9 | Confident | 91 Ų | 91 | 59.9 Ų | 59.9 | 36% | 0.357 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.5 | -36.6 | 170.9 | -66.4 | -36 | 0 | 0 | 0 | 112.2 | M334 A338 V357 P358 A359 W363 A364 V365 | M334-Y361 HydrophobicContact CB-CD1 4.17Å; M334-Y361 WeakPolarHBondContact O-CE1 3.48Å; A338-Y361 HydrophobicContact CB-CD1 3.34Å; A338-Y361 HydrophobicContact CB-CE1 3.67Å; A338-Y361 HydrophobicContact CB-CG 4.39Å; V357-Y361 HydrophobicContact CG1-CE1 4.17Å; V357-Y361 PolarHBondContact O-N 2.7Å; V357-Y361 VanDerWaalsContact O-N 3.12Å; P358-Y361 HydrophobicContact CB-CD2 4.39Å; P358-Y361 WeakPolarHBondContact O-CB 3.43Å; P358-Y361 PolarHBondContact O-N 3.13Å; A359-Y361 VanDerWaalsContact C-N 3.28Å; A359-Y361 PolarHBondContact O-N 3.07Å; Y361-W363 VanDerWaalsContact C-N 3.34Å; Y361-W363 PolarHBondContact O-N 2.91Å; Y361-A364 PolarHBondContact O-N 2.93Å; Y361-V365 WeakPolarHBondContact O-CG2 3.41Å; Y361-V365 PolarHBondContact O-N 3.28Å |
| 362 | W | 94.9 | Very high | 91.2 | Very high | 124 Ų | 124 | 55.6 Ų | 55.6 | 47% | 0.47 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -57.3 | -50.4 | 175.4 | 172 | -110.9 | 0 | 0 | 0 | 110.7 | A359 S360 A364 V365 I366 Y373 D375 | A359-W362 WeakPolarHBondContact O-CB 3.32Å; A359-W362 PolarHBondContact O-N 2.89Å; S360-W362 VanDerWaalsContact C-N 3.31Å; S360-W362 PolarHBondContact O-N 3.34Å; W362-A364 VanDerWaalsContact C-N 3.35Å; W362-A364 PolarHBondContact O-N 3.5Å; W362-V365 PolarHBondContact O-N 2.95Å; W362-I366 HydrophobicContact CD2-CG2 4.25Å; W362-I366 HydrophobicContact CE3-CG2 4.36Å; W362-I366 HydrophobicContact CH2-CG2 4.18Å; W362-I366 HydrophobicContact CZ2-CG2 4.05Å; W362-I366 HydrophobicContact CZ3-CG2 4.33Å; W362-I366 WeakPolarHBondContact O-CG1 3.16Å; W362-I366 WeakPolarHBondContact O-CG2 3.4Å; W362-I366 PolarHBondContact O-N 3.33Å; W362-I366 VanDerWaalsContact O-N 3.15Å; W362-Y373 HydrophobicContact CH2-CD2 4.37Å; W362-Y373 AromaticContact CH2-CE2 3.97Å; W362-Y373 HydrophobicContact CH2-CE2 3.97Å; W362-Y373 AromaticContact CZ2-CD2 3.79Å; W362-Y373 HydrophobicContact CZ2-CD2 3.79Å; W362-Y373 AromaticContact CZ2-CE2 3.86Å; W362-Y373 HydrophobicContact CZ2-CE2 3.86Å; W362-D375 PolarHBondContact NE1-OD2 3.4Å |
| 363 | W | 94.6 | Very high | 92.4 | Very high | 8 Ų | 8 | 52 Ų | 52 | 3% | 0.03 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.9 | -42.8 | 174.3 | 172.7 | 80.5 | 0 | 0 | 0 | 112.8 | V341 F354 S360 Y361 I366 S367 M376 P378 A387 | V341-W363 HydrophobicContact CB-CE3 4.33Å; V341-W363 HydrophobicContact CB-CH2 4.09Å; V341-W363 HydrophobicContact CB-CZ3 3.78Å; V341-W363 HydrophobicContact CG1-CD2 4.46Å; V341-W363 HydrophobicContact CG1-CE3 3.61Å; V341-W363 HydrophobicContact CG1-CH2 4.26Å; V341-W363 HydrophobicContact CG1-CZ3 3.49Å; V341-W363 VanDerWaalsContact CG1-CZ3 3.49Å; V341-W363 HydrophobicContact CG2-CE3 4.42Å; V341-W363 HydrophobicContact CG2-CH2 3.91Å; V341-W363 HydrophobicContact CG2-CZ2 4.3Å; V341-W363 HydrophobicContact CG2-CZ3 4Å; F354-W363 HydrophobicContact CE1-CB 3.93Å; F354-W363 AromaticContact CE1-CD2 3.9Å; F354-W363 HydrophobicContact CE1-CD2 3.9Å; F354-W363 HydrophobicContact CE1-CE3 4.27Å; F354-W363 AromaticContact CE1-CG 3.73Å; F354-W363 HydrophobicContact CE1-CG 3.73Å; F354-W363 HydrophobicContact CZ-CD2 4.19Å; F354-W363 AromaticContact CZ-CG 3.99Å; F354-W363 HydrophobicContact CZ-CG 3.99Å; S360-W363 PolarHBondContact O-N 3.49Å; Y361-W363 VanDerWaalsContact C-N 3.34Å; Y361-W363 PolarHBondContact O-N 2.91Å; W363-I366 VanDerWaalsContact O-CG1 3.27Å; W363-I366 WeakPolarHBondContact O-CG1 3.47Å; W363-S367 PolarHBondContact NE1-OG 3.25Å; W363-S367 VanDerWaalsContact O-CB 3.23Å; W363-S367 WeakPolarHBondContact O-CB 3.34Å; W363-S367 PolarHBondContact O-N 3.23Å; W363-S367 PolarHBondContact O-OG 2.88Å; W363-M376 HydrophobicContact CB-CB 4.14Å; W363-M376 HydrophobicContact CB-CE 4.14Å; W363-M376 HydrophobicContact CB-SD 4.27Å; W363-M376 HydrophobicContact CG-CB 4.38Å; W363-P378 HydrophobicContact CZ2-CG 3.83Å; W363-A387 HydrophobicContact CH2-CB 4.03Å; W363-A387 HydrophobicContact CZ2-CB 3.71Å |
| 364 | A | 94.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.3 | -44.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | M334 A338 S360 Y361 W362 S367 M368 | M334-A364 HydrophobicContact CG-CB 4.19Å; A338-A364 HydrophobicContact CB-CB 4.12Å; S360-A364 PolarHBondContact O-N 3.28Å; Y361-A364 PolarHBondContact O-N 2.93Å; W362-A364 VanDerWaalsContact C-N 3.35Å; W362-A364 PolarHBondContact O-N 3.5Å; A364-S367 PolarHBondContact O-N 2.86Å; A364-M368 WeakPolarHBondContact O-CB 3.37Å; A364-M368 WeakPolarHBondContact O-CG 3.31Å; A364-M368 PolarHBondContact O-N 3.4Å |
| 365 | V | 94.8 | Very high | 93.4 | Very high | 49 Ų | 49 | 55.1 Ų | 55.1 | 30% | 0.297 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -57.3 | -54.6 | 176.2 | 173.9 | 0 | 0 | 0 | 0 | 110.5 | M334 Y361 W362 S367 M368 T369 | M334-V365 HydrophobicContact CE-CG2 4.45Å; M334-V365 HydrophobicContact CG-CG2 4.4Å; M334-V365 HydrophobicContact SD-CB 4.33Å; M334-V365 HydrophobicContact SD-CG2 3.12Å; M334-V365 WeakPolarHBondContact SD-CG2 3.41Å; Y361-V365 WeakPolarHBondContact O-CG2 3.41Å; Y361-V365 PolarHBondContact O-N 3.28Å; W362-V365 PolarHBondContact O-N 2.95Å; V365-S367 VanDerWaalsContact C-N 3.28Å; V365-S367 PolarHBondContact O-N 3.44Å; V365-M368 PolarHBondContact O-N 2.96Å; V365-T369 HydrophobicContact CG1-CG2 4.47Å; V365-T369 WeakPolarHBondContact O-CB 3.39Å; V365-T369 WeakPolarHBondContact O-CG2 3.35Å; V365-T369 PolarHBondContact O-N 3.38Å; V365-T369 PolarHBondContact O-OG1 2.93Å |
| 366 | I | 94.9 | Very high | 93.5 | Very high | 6 Ų | 6 | 52 Ų | 52 | 3% | 0.031 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -68 | -30.4 | -173.3 | 66.5 | -179.8 | 0 | 0 | 0 | 112.1 | W362 W363 T370 V371 G372 Y373 D375 | W362-I366 HydrophobicContact CD2-CG2 4.25Å; W362-I366 HydrophobicContact CE3-CG2 4.36Å; W362-I366 HydrophobicContact CH2-CG2 4.18Å; W362-I366 HydrophobicContact CZ2-CG2 4.05Å; W362-I366 HydrophobicContact CZ3-CG2 4.33Å; W362-I366 WeakPolarHBondContact O-CG1 3.16Å; W362-I366 WeakPolarHBondContact O-CG2 3.4Å; W362-I366 PolarHBondContact O-N 3.33Å; W362-I366 VanDerWaalsContact O-N 3.15Å; W363-I366 VanDerWaalsContact O-CG1 3.27Å; W363-I366 WeakPolarHBondContact O-CG1 3.47Å; I366-T370 PolarHBondContact O-N 3.41Å; I366-V371 HydrophobicContact CB-CB 4.4Å; I366-V371 PolarHBondContact O-N 3.09Å; I366-G372 PolarHBondContact O-N 3.16Å; I366-G372 VanDerWaalsContact O-N 3.09Å; I366-Y373 HydrophobicContact CB-CD2 4.49Å; I366-Y373 HydrophobicContact CD1-CD2 4.37Å; I366-Y373 HydrophobicContact CG2-CD2 3.96Å; I366-Y373 HydrophobicContact CG2-CE2 4.12Å; I366-D375 WeakPolarHBondContact CD1-OD1 3.12Å |
| 367 | S | 94.6 | Very high | 93.5 | Very high | 14 Ų | 14 | 53.3 Ų | 53.3 | 10% | 0.098 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -77.4 | -45.6 | 178.3 | -58.2 | 0 | 0 | 0 | 0 | 111.3 | W363 A364 V365 T369 T370 | W363-S367 PolarHBondContact NE1-OG 3.25Å; W363-S367 VanDerWaalsContact O-CB 3.23Å; W363-S367 WeakPolarHBondContact O-CB 3.34Å; W363-S367 PolarHBondContact O-N 3.23Å; W363-S367 PolarHBondContact O-OG 2.88Å; A364-S367 PolarHBondContact O-N 2.86Å; V365-S367 VanDerWaalsContact C-N 3.28Å; V365-S367 PolarHBondContact O-N 3.44Å; S367-T369 VanDerWaalsContact C-N 3.32Å; S367-T369 PolarHBondContact O-N 3.48Å; S367-T370 PolarHBondContact O-N 3.32Å; S367-T370 VanDerWaalsContact O-N 3.1Å |
| 368 | M | 93.6 | Very high | 93.5 | Very high | 2 Ų | 2 | 51.7 Ų | 51.7 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66.6 | -32.6 | 178.1 | -73.2 | -174.8 | 73.2 | 0 | 0 | 113.1 | L330 A333 M334 A364 V365 T370 L397 | L330-M368 HydrophobicContact CD1-CB 4.2Å; L330-M368 HydrophobicContact CD1-CE 3.92Å; L330-M368 HydrophobicContact CD1-SD 4.07Å; A333-M368 HydrophobicContact CB-CE 3.24Å; A333-M368 HydrophobicContact CB-SD 3.8Å; M334-M368 HydrophobicContact CG-SD 4.29Å; A364-M368 WeakPolarHBondContact O-CB 3.37Å; A364-M368 WeakPolarHBondContact O-CG 3.31Å; A364-M368 PolarHBondContact O-N 3.4Å; V365-M368 PolarHBondContact O-N 2.96Å; M368-T370 PolarHBondContact O-N 2.92Å; M368-L397 HydrophobicContact CE-CD1 4.07Å |
| 369 | T | 93.6 | Very high | 93.2 | Very high | 44 Ų | 44 | 54.4 Ų | 54.4 | 27% | 0.27 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 6.5 | 174.8 | 57.2 | 0 | 0 | 0 | 0 | 113.3 | V365 S367 V371 | V365-T369 HydrophobicContact CG1-CG2 4.47Å; V365-T369 WeakPolarHBondContact O-CB 3.39Å; V365-T369 WeakPolarHBondContact O-CG2 3.35Å; V365-T369 PolarHBondContact O-N 3.38Å; V365-T369 PolarHBondContact O-OG1 2.93Å; S367-T369 VanDerWaalsContact C-N 3.32Å; S367-T369 PolarHBondContact O-N 3.48Å; T369-V371 PolarHBondContact O-N 2.87Å; T369-V371 VanDerWaalsContact O-N 3.16Å |
| 370 | T | 94.1 | Very high | 93.2 | Very high | 99 Ų | 99 | 53.6 Ų | 53.6 | 61% | 0.607 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | 26.3 | 178.6 | 69 | 0 | 0 | 0 | 0 | 114.6 | I366 S367 M368 I395 | I366-T370 PolarHBondContact O-N 3.41Å; S367-T370 PolarHBondContact O-N 3.32Å; S367-T370 VanDerWaalsContact O-N 3.1Å; M368-T370 PolarHBondContact O-N 2.92Å; T370-I395 HydrophobicContact CG2-CD1 4.29Å; T370-I395 HydrophobicContact CG2-CG1 3.82Å |
| 371 | V | 95.8 | Very high | 93.1 | Very high | 77 Ų | 77 | 60.1 Ų | 60.1 | 47% | 0.467 | 32% | 0.321 | S | S | . | . | trans | -79.8 | -53 | 175.6 | 175.7 | 0 | 0 | 0 | 0 | 110.7 | I366 T369 Y373 | I366-V371 HydrophobicContact CB-CB 4.4Å; I366-V371 PolarHBondContact O-N 3.09Å; T369-V371 PolarHBondContact O-N 2.87Å; T369-V371 VanDerWaalsContact O-N 3.16Å; V371-Y373 HydrophobicContact CG1-CD1 4.27Å; V371-Y373 HydrophobicContact CG1-CD2 4.08Å; V371-Y373 HydrophobicContact CG1-CE1 3.94Å; V371-Y373 HydrophobicContact CG1-CE2 3.74Å; V371-Y373 HydrophobicContact CG1-CG 4.32Å | ||
| 372 | G | 93.6 | Very high | 92.9 | Very high | 49 Ų | 49 | 58.2 Ų | 58.2 | 51% | 0.505 | 32% | 0.32 | S | S | . | . | trans | 55.6 | 61.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 116 | I366 G374 | I366-G372 PolarHBondContact O-N 3.16Å; I366-G372 VanDerWaalsContact O-N 3.09Å; G372-G374 PolarHBondContact O-N 2.64Å; G372-G374 VanDerWaalsContact O-N 3.12Å | ||
| 373 | Y | 93.9 | Very high | 92.8 | Very high | 160 Ų | 160 | 52.3 Ų | 52.3 | 63% | 0.627 | 30% | 0.297 | S | S | * | . | trans | -57.5 | -25.3 | 177.4 | -69.5 | -62 | 0 | 0 | 0 | 114.4 | W362 I366 V371 D375 | W362-Y373 HydrophobicContact CH2-CD2 4.37Å; W362-Y373 AromaticContact CH2-CE2 3.97Å; W362-Y373 HydrophobicContact CH2-CE2 3.97Å; W362-Y373 AromaticContact CZ2-CD2 3.79Å; W362-Y373 HydrophobicContact CZ2-CD2 3.79Å; W362-Y373 AromaticContact CZ2-CE2 3.86Å; W362-Y373 HydrophobicContact CZ2-CE2 3.86Å; I366-Y373 HydrophobicContact CB-CD2 4.49Å; I366-Y373 HydrophobicContact CD1-CD2 4.37Å; I366-Y373 HydrophobicContact CG2-CD2 3.96Å; I366-Y373 HydrophobicContact CG2-CE2 4.12Å; V371-Y373 HydrophobicContact CG1-CD1 4.27Å; V371-Y373 HydrophobicContact CG1-CD2 4.08Å; V371-Y373 HydrophobicContact CG1-CE1 3.94Å; V371-Y373 HydrophobicContact CG1-CE2 3.74Å; V371-Y373 HydrophobicContact CG1-CG 4.32Å; Y373-D375 VanDerWaalsContact C-N 3.31Å | ||
| 374 | G | 91.6 | Very high | 92.7 | Very high | 51 Ų | 51 | 56.7 Ų | 56.7 | 53% | 0.526 | 32% | 0.318 | S | S | . | . | S | Bend | trans | 80.7 | 8.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | G372 | G372-G374 PolarHBondContact O-N 2.64Å; G372-G374 VanDerWaalsContact O-N 3.12Å |
| 375 | D | 90.8 | Very high | 92.8 | Very high | 87 Ų | 87 | 61.5 Ų | 61.5 | 47% | 0.465 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -70.5 | -30.4 | 173.9 | 60.6 | -35.6 | 0 | 0 | 0 | 112.7 | W362 I366 Y373 | W362-D375 PolarHBondContact NE1-OD2 3.4Å; I366-D375 WeakPolarHBondContact CD1-OD1 3.12Å; Y373-D375 VanDerWaalsContact C-N 3.31Å |
| 376 | M | 90.4 | Very high | 92.7 | Very high | 22 Ų | 22 | 60.2 Ų | 60.2 | 11% | 0.108 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -128.2 | 127 | 171.6 | -63 | 179.1 | 63.1 | 0 | 0 | 109.6 | D353 F354 W363 | D353-M376 WeakPolarHBondContact O-CE 3.33Å; F354-M376 HydrophobicContact CD1-CE 3.58Å; F354-M376 HydrophobicContact CE1-CE 3.74Å; F354-M376 HydrophobicContact CG-CE 4.08Å; F354-M376 HydrophobicContact CZ-CB 4.42Å; F354-M376 HydrophobicContact CZ-CE 4.33Å; W363-M376 HydrophobicContact CB-CB 4.14Å; W363-M376 HydrophobicContact CB-CE 4.14Å; W363-M376 HydrophobicContact CB-SD 4.27Å; W363-M376 HydrophobicContact CG-CB 4.38Å |
| 377 | V | 91.7 | Very high | 92.7 | Very high | 72 Ų | 72 | 60.4 Ų | 60.4 | 44% | 0.436 | 34% | 0.342 | S | S | . | . | trans | -143.1 | 126.2 | -179.7 | -175.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 378 | P | 91.6 | Very high | 92.8 | Very high | 10 Ų | 10 | 65.8 Ų | 65.8 | 7% | 0.065 | 37% | 0.369 | C | S | . | . | trans | -69.7 | 132.4 | 175.3 | 26 | -28.5 | 0 | 0 | 0 | 110.5 | V341 E345 F354 W363 A387 | V341-P378 HydrophobicContact CG2-CB 3.83Å; V341-P378 HydrophobicContact CG2-CG 4.2Å; E345-P378 VanDerWaalsContact CD-CA 3.45Å; E345-P378 HydrophobicContact CG-CB 3.89Å; E345-P378 WeakPolarHBondContact OE1-CA 3.23Å; E345-P378 VanDerWaalsContact OE1-CB 3.25Å; E345-P378 WeakPolarHBondContact OE1-CB 3.44Å; F354-P378 HydrophobicContact CE2-CB 4.38Å; F354-P378 HydrophobicContact CZ-CB 4.38Å; W363-P378 HydrophobicContact CZ2-CG 3.83Å; P378-A387 HydrophobicContact CG-CB 3.65Å | ||
| 379 | R | 88.8 | Confident | 92.8 | Very high | 147 Ų | 147 | 68.1 Ų | 68.1 | 56% | 0.555 | 39% | 0.386 | S | S | * | . | trans | -111.5 | -22.3 | -176.4 | -63.2 | -171.3 | -178.7 | -172.7 | -2.8 | 113.1 | E345 R351 Q384 | E345-R379 VanDerWaalsContact CD-N 3.29Å; E345-R379 PolarHBondContact OE1-N 3.5Å; E345-R379 PolarHBondContact OE2-N 3.1Å; R351-R379 VanDerWaalsContact NH1-NH2 3.18Å; R379-Q384 PolarHBondContact O-NE2 2.9Å | ||
| 380 | S | 90.8 | Very high | 92.9 | Very high | 13 Ų | 13 | 66 Ų | 66 | 9% | 0.091 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -68.9 | 147.2 | 175.8 | 72.8 | 0 | 0 | 0 | 0 | 110.3 | E345 G383 Q384 | E345-S380 VanDerWaalsContact OE1-CB 3.24Å; E345-S380 WeakPolarHBondContact OE1-CB 3.27Å; E345-S380 PolarHBondContact OE1-N 3.44Å; E345-S380 PolarHBondContact OE1-OG 3.26Å; S380-G383 PolarHBondContact O-N 2.96Å; S380-G383 VanDerWaalsContact O-N 3.15Å; S380-G383 WeakPolarHBondContact OG-CA 3.36Å; S380-G383 PolarHBondContact OG-N 3.12Å; S380-Q384 WeakPolarHBondContact O-CG 3.43Å; S380-Q384 PolarHBondContact O-N 3.43Å |
| 381 | L | 90.6 | Very high | 93 | Very high | 138 Ų | 138 | 64.4 Ų | 64.4 | 72% | 0.723 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -53 | -49.3 | 173.1 | -68 | 173 | 0 | 0 | 0 | 112.9 | G383 Q384 V385 | L381-G383 VanDerWaalsContact C-N 3.32Å; L381-G383 PolarHBondContact O-N 3.4Å; L381-Q384 PolarHBondContact O-N 3.15Å; L381-V385 WeakPolarHBondContact O-CG2 3.3Å; L381-V385 PolarHBondContact O-N 3.27Å; L381-V385 VanDerWaalsContact O-N 3.14Å |
| 382 | P | 91.8 | Very high | 93 | Very high | 51 Ų | 51 | 65.7 Ų | 65.7 | 33% | 0.331 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64.6 | -36.2 | 176 | 24.7 | -34.1 | 0 | 0 | 0 | 112.6 | A344 L348 Q384 V385 V386 | A344-P382 HydrophobicContact CB-CB 4.14Å; A344-P382 HydrophobicContact CB-CG 4.23Å; L348-P382 HydrophobicContact CB-CG 4.28Å; L348-P382 HydrophobicContact CD1-CG 4.07Å; L348-P382 HydrophobicContact CD2-CG 3.99Å; L348-P382 HydrophobicContact CG-CG 4.34Å; P382-Q384 VanDerWaalsContact C-N 3.33Å; P382-Q384 PolarHBondContact O-N 3.39Å; P382-V385 PolarHBondContact O-N 2.87Å; P382-V386 WeakPolarHBondContact O-CG2 3.39Å; P382-V386 PolarHBondContact O-N 3.49Å |
| 383 | G | 92.4 | Very high | 93 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.9 | -38.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | S380 L381 V386 A387 | S380-G383 PolarHBondContact O-N 2.96Å; S380-G383 VanDerWaalsContact O-N 3.15Å; S380-G383 WeakPolarHBondContact OG-CA 3.36Å; S380-G383 PolarHBondContact OG-N 3.12Å; L381-G383 VanDerWaalsContact C-N 3.32Å; L381-G383 PolarHBondContact O-N 3.4Å; G383-V386 PolarHBondContact O-N 2.95Å; G383-A387 WeakPolarHBondContact O-CB 3.27Å; G383-A387 PolarHBondContact O-N 3.31Å |
| 384 | Q | 93.4 | Very high | 93 | Very high | 100 Ų | 100 | 57.3 Ų | 57.3 | 47% | 0.467 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -66.6 | -37.7 | 174.3 | -71.3 | 176.2 | 8.1 | 0 | 0 | 112.5 | R379 S380 L381 P382 A387 L388 | R379-Q384 PolarHBondContact O-NE2 2.9Å; S380-Q384 WeakPolarHBondContact O-CG 3.43Å; S380-Q384 PolarHBondContact O-N 3.43Å; L381-Q384 PolarHBondContact O-N 3.15Å; P382-Q384 VanDerWaalsContact C-N 3.33Å; P382-Q384 PolarHBondContact O-N 3.39Å; Q384-A387 WeakPolarHBondContact O-CB 3.23Å; Q384-A387 PolarHBondContact O-N 2.87Å; Q384-L388 WeakPolarHBondContact O-CB 3.26Å; Q384-L388 PolarHBondContact O-N 2.94Å |
| 385 | V | 95.2 | Very high | 93 | Very high | 100 Ų | 100 | 59 Ų | 59 | 61% | 0.606 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -65.3 | -44.1 | 174.2 | 174.2 | 0 | 0 | 0 | 0 | 110.8 | L381 P382 A387 L388 S389 | L381-V385 WeakPolarHBondContact O-CG2 3.3Å; L381-V385 PolarHBondContact O-N 3.27Å; L381-V385 VanDerWaalsContact O-N 3.14Å; P382-V385 PolarHBondContact O-N 2.87Å; V385-A387 VanDerWaalsContact C-N 3.31Å; V385-A387 PolarHBondContact O-N 3.34Å; V385-L388 PolarHBondContact O-N 3.12Å; V385-S389 PolarHBondContact O-N 2.77Å; V385-S389 PolarHBondContact O-OG 3.48Å |
| 386 | V | 94.7 | Very high | 93.1 | Very high | 22 Ų | 22 | 60.5 Ų | 60.5 | 13% | 0.133 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62 | -40.5 | 173.6 | 175.3 | 0 | 0 | 0 | 0 | 110.8 | F337 L340 V341 P382 G383 S389 S390 | F337-V386 HydrophobicContact CD1-CG1 4.38Å; L340-V386 HydrophobicContact CB-CG1 3.85Å; L340-V386 HydrophobicContact CB-CG2 4.23Å; V341-V386 HydrophobicContact CB-CG1 4.02Å; P382-V386 WeakPolarHBondContact O-CG2 3.39Å; P382-V386 PolarHBondContact O-N 3.49Å; G383-V386 PolarHBondContact O-N 2.95Å; V386-S389 WeakPolarHBondContact CA-OG 3.39Å; V386-S389 PolarHBondContact O-N 3.25Å; V386-S389 PolarHBondContact O-OG 2.96Å; V386-S390 VanDerWaalsContact O-CB 3.25Å; V386-S390 WeakPolarHBondContact O-CB 3.35Å; V386-S390 PolarHBondContact O-N 3Å |
| 387 | A | 93.9 | Very high | 93.1 | Very high | 11 Ų | 11 | 61.9 Ų | 61.9 | 9% | 0.091 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.6 | -48.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | W363 P378 G383 Q384 V385 S389 S390 I391 | W363-A387 HydrophobicContact CH2-CB 4.03Å; W363-A387 HydrophobicContact CZ2-CB 3.71Å; P378-A387 HydrophobicContact CG-CB 3.65Å; G383-A387 WeakPolarHBondContact O-CB 3.27Å; G383-A387 PolarHBondContact O-N 3.31Å; Q384-A387 WeakPolarHBondContact O-CB 3.23Å; Q384-A387 PolarHBondContact O-N 2.87Å; V385-A387 VanDerWaalsContact C-N 3.31Å; V385-A387 PolarHBondContact O-N 3.34Å; A387-S389 VanDerWaalsContact C-N 3.35Å; A387-S389 PolarHBondContact O-N 3.46Å; A387-S390 PolarHBondContact O-N 3.44Å; A387-I391 WeakPolarHBondContact O-CB 3.2Å; A387-I391 WeakPolarHBondContact O-CD1 3.25Å; A387-I391 VanDerWaalsContact O-CG1 3.26Å; A387-I391 WeakPolarHBondContact O-CG1 3.22Å; A387-I391 PolarHBondContact O-N 2.91Å |
| 388 | L | 95.6 | Very high | 93 | Very high | 127 Ų | 127 | 60.9 Ų | 60.9 | 67% | 0.665 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -59.1 | -47.1 | 178.5 | -177.1 | 67.1 | 0 | 0 | 0 | 111.1 | Q384 V385 L392 | Q384-L388 WeakPolarHBondContact O-CB 3.26Å; Q384-L388 PolarHBondContact O-N 2.94Å; V385-L388 PolarHBondContact O-N 3.12Å; L388-L392 WeakPolarHBondContact O-CB 3.5Å; L388-L392 PolarHBondContact O-N 2.75Å |
| 389 | S | 95.4 | Very high | 92.9 | Very high | 51 Ų | 51 | 63 Ų | 63 | 36% | 0.357 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.7 | -39.8 | 177.8 | 62.7 | 0 | 0 | 0 | 0 | 112.8 | V385 V386 A387 S393 | V385-S389 PolarHBondContact O-N 2.77Å; V385-S389 PolarHBondContact O-OG 3.48Å; V386-S389 WeakPolarHBondContact CA-OG 3.39Å; V386-S389 PolarHBondContact O-N 3.25Å; V386-S389 PolarHBondContact O-OG 2.96Å; A387-S389 VanDerWaalsContact C-N 3.35Å; A387-S389 PolarHBondContact O-N 3.46Å; S389-S393 VanDerWaalsContact O-CB 3.24Å; S389-S393 WeakPolarHBondContact O-CB 3.34Å; S389-S393 PolarHBondContact O-N 3.2Å |
| 390 | S | 95.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.8 | -45.6 | 177.7 | -179.8 | 0 | 0 | 0 | 0 | 112.2 | V386 A387 S393 G394 | V386-S390 VanDerWaalsContact O-CB 3.25Å; V386-S390 WeakPolarHBondContact O-CB 3.35Å; V386-S390 PolarHBondContact O-N 3Å; A387-S390 PolarHBondContact O-N 3.44Å; S390-S393 PolarHBondContact O-N 3.3Å; S390-G394 PolarHBondContact O-N 3.37Å |
| 391 | I | 95.6 | Very high | 92.5 | Very high | 65 Ų | 65 | 63.3 Ų | 63.3 | 33% | 0.333 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.6 | -46.9 | 178.7 | -66.5 | 164 | 0 | 0 | 0 | 110.4 | A387 S393 G394 I395 | A387-I391 WeakPolarHBondContact O-CB 3.2Å; A387-I391 WeakPolarHBondContact O-CD1 3.25Å; A387-I391 VanDerWaalsContact O-CG1 3.26Å; A387-I391 WeakPolarHBondContact O-CG1 3.22Å; A387-I391 PolarHBondContact O-N 2.91Å; I391-S393 VanDerWaalsContact C-N 3.34Å; I391-S393 PolarHBondContact O-N 3.48Å; I391-G394 PolarHBondContact O-N 3.46Å; I391-I395 HydrophobicContact CG2-CD1 4.02Å; I391-I395 WeakPolarHBondContact O-CG1 3.14Å; I391-I395 PolarHBondContact O-N 2.93Å |
| 392 | L | 95.2 | Very high | 92.4 | Very high | 104 Ų | 104 | 60.4 Ų | 60.4 | 55% | 0.545 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.9 | -44.1 | 177.9 | -177.2 | 64 | 0 | 0 | 0 | 111.4 | L388 I395 L396 | L388-L392 WeakPolarHBondContact O-CB 3.5Å; L388-L392 PolarHBondContact O-N 2.75Å; L392-I395 PolarHBondContact O-N 3.42Å; L392-L396 HydrophobicContact CG-CD1 4.37Å; L392-L396 WeakPolarHBondContact O-CG 3.24Å; L392-L396 PolarHBondContact O-N 3.48Å |
| 393 | S | 93.6 | Very high | 92.3 | Very high | 33 Ų | 33 | 61.6 Ų | 61.6 | 23% | 0.231 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.3 | -44.2 | 175 | -177.2 | 0 | 0 | 0 | 0 | 111.7 | S389 S390 I391 I395 L396 L397 | S389-S393 VanDerWaalsContact O-CB 3.24Å; S389-S393 WeakPolarHBondContact O-CB 3.34Å; S389-S393 PolarHBondContact O-N 3.2Å; S390-S393 PolarHBondContact O-N 3.3Å; I391-S393 VanDerWaalsContact C-N 3.34Å; I391-S393 PolarHBondContact O-N 3.48Å; S393-I395 PolarHBondContact O-N 3.21Å; S393-L396 PolarHBondContact O-N 3.18Å; S393-L397 WeakPolarHBondContact O-CB 3.48Å; S393-L397 VanDerWaalsContact O-CG 3.25Å; S393-L397 WeakPolarHBondContact O-CG 3.2Å; S393-L397 PolarHBondContact O-N 2.98Å |
| 394 | G | 93.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -58.6 | -47.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | S390 I391 L396 L397 M398 | S390-G394 PolarHBondContact O-N 3.37Å; I391-G394 PolarHBondContact O-N 3.46Å; G394-L396 VanDerWaalsContact C-N 3.34Å; G394-L396 PolarHBondContact O-N 3Å; G394-L397 PolarHBondContact O-N 3.49Å; G394-M398 WeakPolarHBondContact O-CB 3.33Å; G394-M398 WeakPolarHBondContact O-CG 3.39Å; G394-M398 PolarHBondContact O-N 3.44Å |
| 395 | I | 93.1 | Very high | 91.9 | Very high | 86 Ų | 86 | 59.7 Ų | 59.7 | 44% | 0.441 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -58.6 | -46.2 | 177.6 | -66.3 | 166.6 | 0 | 0 | 0 | 110.9 | T370 I391 L392 S393 A399 | T370-I395 HydrophobicContact CG2-CD1 4.29Å; T370-I395 HydrophobicContact CG2-CG1 3.82Å; I391-I395 HydrophobicContact CG2-CD1 4.02Å; I391-I395 WeakPolarHBondContact O-CG1 3.14Å; I391-I395 PolarHBondContact O-N 2.93Å; L392-I395 PolarHBondContact O-N 3.42Å; S393-I395 PolarHBondContact O-N 3.21Å; I395-A399 WeakPolarHBondContact O-CB 3.41Å; I395-A399 PolarHBondContact O-N 3.39Å; I395-A399 VanDerWaalsContact O-N 3.12Å |
| 396 | L | 91.8 | Very high | 91.7 | Very high | 119 Ų | 119 | 61 Ų | 61 | 62% | 0.623 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -65.8 | -42.5 | 179.7 | -68.1 | 172.5 | 0 | 0 | 0 | 112.4 | L392 S393 G394 | L392-L396 HydrophobicContact CG-CD1 4.37Å; L392-L396 WeakPolarHBondContact O-CG 3.24Å; L392-L396 PolarHBondContact O-N 3.48Å; S393-L396 PolarHBondContact O-N 3.18Å; G394-L396 VanDerWaalsContact C-N 3.34Å; G394-L396 PolarHBondContact O-N 3Å |
| 397 | L | 90.6 | Very high | 91.4 | Very high | 51 Ų | 51 | 66.2 Ų | 66.2 | 27% | 0.267 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -67.5 | -37.5 | 179.9 | -72.5 | 175.7 | 0 | 0 | 0 | 112.5 | F329 A333 M368 S393 G394 P401 | F329-L397 HydrophobicContact CB-CD1 4.49Å; F329-L397 HydrophobicContact CB-CD2 4.16Å; F329-L397 HydrophobicContact CG-CD2 4.38Å; A333-L397 HydrophobicContact CB-CD1 3.85Å; M368-L397 HydrophobicContact CE-CD1 4.07Å; S393-L397 WeakPolarHBondContact O-CB 3.48Å; S393-L397 VanDerWaalsContact O-CG 3.25Å; S393-L397 WeakPolarHBondContact O-CG 3.2Å; S393-L397 PolarHBondContact O-N 2.98Å; G394-L397 PolarHBondContact O-N 3.49Å; L397-P401 WeakPolarHBondContact O-CD 3.33Å |
| 398 | M | 89.5 | Confident | 91.1 | Very high | 51 Ų | 51 | 67.1 Ų | 67.1 | 25% | 0.251 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -76 | -31.3 | -179.8 | -63.7 | -70.3 | -68.4 | 0 | 0 | 112.2 | L326 G394 F400 V402 | L326-M398 HydrophobicContact CD1-CE 4.46Å; L326-M398 HydrophobicContact CD1-SD 3.61Å; L326-M398 HydrophobicContact CG-SD 4.37Å; G394-M398 WeakPolarHBondContact O-CB 3.33Å; G394-M398 WeakPolarHBondContact O-CG 3.39Å; G394-M398 PolarHBondContact O-N 3.44Å; M398-F400 PolarHBondContact O-N 2.86Å; M398-V402 VanDerWaalsContact O-CB 3.31Å; M398-V402 WeakPolarHBondContact O-CB 3.46Å; M398-V402 WeakPolarHBondContact O-CG2 3.49Å; M398-V402 PolarHBondContact O-N 3.24Å |
| 399 | A | 89.4 | Confident | 90.8 | Very high | 54 Ų | 54 | 63.8 Ų | 63.8 | 45% | 0.446 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.3 | -44.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | I395 T403 | I395-A399 WeakPolarHBondContact O-CB 3.41Å; I395-A399 PolarHBondContact O-N 3.39Å; I395-A399 VanDerWaalsContact O-N 3.12Å; A399-T403 WeakPolarHBondContact O-CG2 3.38Å; A399-T403 PolarHBondContact O-N 3.5Å; A399-T403 PolarHBondContact O-OG1 3.12Å |
| 400 | F | 84 | Confident | 90.5 | Very high | 158 Ų | 158 | 63.9 Ų | 63.9 | 69% | 0.693 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -69.9 | -51.2 | -174.1 | 176.7 | -94.5 | 0 | 0 | 0 | 113.3 | M398 V402 T403 S404 | M398-F400 PolarHBondContact O-N 2.86Å; F400-V402 PolarHBondContact O-N 3.24Å; F400-T403 PolarHBondContact O-N 3.27Å; F400-T403 PolarHBondContact O-OG1 3.42Å; F400-S404 PolarHBondContact O-N 2.96Å |
| 401 | P | 87.1 | Confident | 90 | Very high | 8 Ų | 8 | 69.6 Ų | 69.6 | 5% | 0.052 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -67.4 | -35.2 | 179 | -23.3 | 37.6 | 0 | 0 | 0 | 112.8 | L326 L397 T403 S404 I405 | L326-P401 HydrophobicContact CB-CB 3.88Å; L326-P401 HydrophobicContact CB-CG 4.07Å; L326-P401 HydrophobicContact CD1-CB 3.91Å; L326-P401 HydrophobicContact CD1-CG 3.74Å; L326-P401 HydrophobicContact CD2-CB 4.39Å; L326-P401 HydrophobicContact CG-CB 4.28Å; L326-P401 HydrophobicContact CG-CG 4.46Å; L397-P401 WeakPolarHBondContact O-CD 3.33Å; P401-T403 VanDerWaalsContact C-N 3.35Å; P401-T403 PolarHBondContact O-N 3.4Å; P401-S404 PolarHBondContact O-N 3Å; P401-I405 HydrophobicContact CB-CD1 4.48Å; P401-I405 WeakPolarHBondContact O-CB 3.36Å; P401-I405 WeakPolarHBondContact O-CD1 3.25Å; P401-I405 WeakPolarHBondContact O-CG1 3.34Å; P401-I405 PolarHBondContact O-N 3.46Å |
| 402 | V | 88.8 | Confident | 89.6 | Confident | 77 Ų | 77 | 66.6 Ų | 66.6 | 47% | 0.467 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -60.4 | -43.9 | 178.3 | 169.9 | 0 | 0 | 0 | 0 | 111.4 | M398 F400 I405 F406 | M398-V402 VanDerWaalsContact O-CB 3.31Å; M398-V402 WeakPolarHBondContact O-CB 3.46Å; M398-V402 WeakPolarHBondContact O-CG2 3.49Å; M398-V402 PolarHBondContact O-N 3.24Å; F400-V402 PolarHBondContact O-N 3.24Å; V402-I405 PolarHBondContact O-N 3.39Å; V402-F406 WeakPolarHBondContact O-CB 3.31Å; V402-F406 PolarHBondContact O-N 3.17Å |
| 403 | T | 90.2 | Very high | 89.2 | Confident | 77 Ų | 77 | 65.8 Ų | 65.8 | 47% | 0.472 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65.5 | -40.1 | 177 | 54.6 | 0 | 0 | 0 | 0 | 112.3 | A399 F400 P401 F406 H407 | A399-T403 WeakPolarHBondContact O-CG2 3.38Å; A399-T403 PolarHBondContact O-N 3.5Å; A399-T403 PolarHBondContact O-OG1 3.12Å; F400-T403 PolarHBondContact O-N 3.27Å; F400-T403 PolarHBondContact O-OG1 3.42Å; P401-T403 VanDerWaalsContact C-N 3.35Å; P401-T403 PolarHBondContact O-N 3.4Å; T403-F406 PolarHBondContact O-N 3.34Å; T403-H407 PolarHBondContact O-CD2 3.21Å; T403-H407 PolarHBondContact O-N 2.92Å |
| 404 | S | 87.9 | Confident | 88.8 | Confident | 33 Ų | 33 | 66.8 Ų | 66.8 | 23% | 0.231 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.7 | -46 | 175.7 | -169.7 | 0 | 0 | 0 | 0 | 112.5 | E322 F400 P401 F406 H407 T408 | E322-S404 PolarHBondContact OE1-OG 3.23Å; E322-S404 VanDerWaalsContact OE1-OG 3.13Å; E322-S404 VanDerWaalsContact OE2-CB 3.27Å; E322-S404 WeakPolarHBondContact OE2-CB 3.25Å; E322-S404 PolarHBondContact OE2-OG 3.41Å; F400-S404 PolarHBondContact O-N 2.96Å; P401-S404 PolarHBondContact O-N 3Å; S404-F406 VanDerWaalsContact C-N 3.31Å; S404-F406 PolarHBondContact O-N 2.95Å; S404-H407 PolarHBondContact O-N 3.44Å; S404-T408 PolarHBondContact O-N 3.45Å; S404-T408 PolarHBondContact O-OG1 3.04Å |
| 405 | I | 89.6 | Confident | 88.3 | Confident | 27 Ų | 27 | 69.3 Ų | 69.3 | 14% | 0.138 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -59.4 | -44.1 | 175.6 | -68.2 | 160.5 | 0 | 0 | 0 | 110 | C319 F323 P401 V402 H407 T408 F409 | C319-I405 HydrophobicContact CB-CG1 4.25Å; F323-I405 HydrophobicContact CD1-CD1 3.97Å; F323-I405 HydrophobicContact CD2-CD1 4.06Å; F323-I405 HydrophobicContact CD2-CG1 4.22Å; F323-I405 HydrophobicContact CE1-CD1 3.72Å; F323-I405 HydrophobicContact CE2-CD1 3.81Å; F323-I405 HydrophobicContact CE2-CG1 3.88Å; F323-I405 HydrophobicContact CE2-CG2 3.85Å; F323-I405 HydrophobicContact CG-CD1 4.14Å; F323-I405 HydrophobicContact CZ-CD1 3.64Å; F323-I405 HydrophobicContact CZ-CG1 4.12Å; F323-I405 HydrophobicContact CZ-CG2 3.78Å; P401-I405 HydrophobicContact CB-CD1 4.48Å; P401-I405 WeakPolarHBondContact O-CB 3.36Å; P401-I405 WeakPolarHBondContact O-CD1 3.25Å; P401-I405 WeakPolarHBondContact O-CG1 3.34Å; P401-I405 PolarHBondContact O-N 3.46Å; V402-I405 PolarHBondContact O-N 3.39Å; I405-H407 PolarHBondContact O-N 3.02Å; I405-T408 PolarHBondContact O-N 2.85Å; I405-F409 WeakPolarHBondContact O-CB 3.38Å; I405-F409 PolarHBondContact O-N 3.04Å |
| 406 | F | 89.7 | Confident | 87.8 | Confident | 128 Ų | 128 | 66.5 Ų | 66.5 | 56% | 0.561 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -61.3 | -44.4 | 177.3 | 177.1 | -99.5 | 0 | 0 | 0 | 112.5 | V402 T403 S404 T408 F409 S410 | V402-F406 WeakPolarHBondContact O-CB 3.31Å; V402-F406 PolarHBondContact O-N 3.17Å; T403-F406 PolarHBondContact O-N 3.34Å; S404-F406 VanDerWaalsContact C-N 3.31Å; S404-F406 PolarHBondContact O-N 2.95Å; F406-T408 PolarHBondContact O-N 3.08Å; F406-F409 WeakPolarHBondContact O-CB 3.27Å; F406-F409 PolarHBondContact O-N 3.38Å; F406-S410 WeakPolarHBondContact O-CB 3.23Å; F406-S410 PolarHBondContact O-N 3.27Å |
| 407 | H | 89.3 | Confident | 87.5 | Confident | 130 Ų | 130 | 65.7 Ų | 65.7 | 60% | 0.602 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -62.7 | -42.5 | 176.8 | -84.1 | -63.3 | 0 | 0 | 0 | 112.4 | T403 S404 I405 F409 S410 R411 | T403-H407 PolarHBondContact O-CD2 3.21Å; T403-H407 PolarHBondContact O-N 2.92Å; S404-H407 PolarHBondContact O-N 3.44Å; I405-H407 PolarHBondContact O-N 3.02Å; H407-F409 VanDerWaalsContact C-N 3.32Å; H407-S410 PolarHBondContact O-N 3.25Å; H407-R411 WeakPolarHBondContact O-CB 3.22Å; H407-R411 PolarHBondContact O-N 3.31Å |
| 408 | T | 87.3 | Confident | 87.2 | Confident | 31 Ų | 31 | 67.8 Ų | 67.8 | 19% | 0.19 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -67.3 | -35.8 | 176.3 | -59.9 | 0 | 0 | 0 | 0 | 111.8 | R318 C319 S404 I405 F406 S412 | R318-T408 HydrophobicContact CB-CG2 4Å; C319-T408 WeakPolarHBondContact SG-CB 3.49Å; C319-T408 WeakPolarHBondContact SG-CG2 3.31Å; C319-T408 PolarHBondContact SG-OG1 3.06Å; C319-T408 VanDerWaalsContact SG-OG1 3.34Å; S404-T408 PolarHBondContact O-N 3.45Å; S404-T408 PolarHBondContact O-OG1 3.04Å; I405-T408 PolarHBondContact O-N 2.85Å; F406-T408 PolarHBondContact O-N 3.08Å; T408-S412 WeakPolarHBondContact O-CB 3.37Å; T408-S412 PolarHBondContact O-N 2.89Å; T408-S412 PolarHBondContact O-OG 3.45Å |
| 409 | F | 88.8 | Confident | 86.7 | Confident | 56 Ų | 56 | 71 Ų | 71 | 25% | 0.246 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -59.2 | -56.2 | 171.6 | 175.4 | -101.5 | 0 | 0 | 0 | 112.4 | L312 T315 I405 F406 H407 R411 S412 Y413 | L312-F409 HydrophobicContact CD2-CD2 3.68Å; L312-F409 HydrophobicContact CD2-CE2 3.54Å; L312-F409 HydrophobicContact CD2-CZ 4.35Å; L312-F409 HydrophobicContact CG-CD2 4.29Å; L312-F409 HydrophobicContact CG-CE2 3.76Å; T315-F409 VanDerWaalsContact CG2-CA 3.42Å; T315-F409 HydrophobicContact CG2-CB 4.16Å; T315-F409 HydrophobicContact CG2-CD2 4.1Å; I405-F409 WeakPolarHBondContact O-CB 3.38Å; I405-F409 PolarHBondContact O-N 3.04Å; F406-F409 WeakPolarHBondContact O-CB 3.27Å; F406-F409 PolarHBondContact O-N 3.38Å; H407-F409 VanDerWaalsContact C-N 3.32Å; F409-R411 VanDerWaalsContact C-N 3.25Å; F409-R411 PolarHBondContact O-N 2.87Å; F409-S412 PolarHBondContact O-N 2.89Å; F409-Y413 HydrophobicContact CZ-CD2 4.43Å; F409-Y413 VanDerWaalsContact O-CB 3.31Å; F409-Y413 WeakPolarHBondContact O-CB 3.41Å; F409-Y413 PolarHBondContact O-N 2.79Å |
| 410 | S | 89.5 | Confident | 86.1 | Confident | 54 Ų | 54 | 72 Ų | 72 | 38% | 0.378 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -55.4 | -42.5 | 179.1 | 179.5 | 0 | 0 | 0 | 0 | 112 | F406 H407 S414 | F406-S410 WeakPolarHBondContact O-CB 3.23Å; F406-S410 PolarHBondContact O-N 3.27Å; H407-S410 PolarHBondContact O-N 3.25Å; S410-S414 WeakPolarHBondContact O-CB 3.41Å; S410-S414 PolarHBondContact O-N 3.01Å; S410-S414 PolarHBondContact O-OG 3.01Å |
| 411 | R | 86.4 | Confident | 85.8 | Confident | 120 Ų | 120 | 69.6 Ų | 69.6 | 45% | 0.453 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.3 | -52.4 | 176.1 | -177.6 | 180 | 177.7 | 154.5 | 12.3 | 112.4 | H407 F409 Y413 S414 E415 | H407-R411 WeakPolarHBondContact O-CB 3.22Å; H407-R411 PolarHBondContact O-N 3.31Å; F409-R411 VanDerWaalsContact C-N 3.25Å; F409-R411 PolarHBondContact O-N 2.87Å; R411-Y413 VanDerWaalsContact C-N 3.29Å; R411-Y413 PolarHBondContact O-N 3.09Å; R411-S414 PolarHBondContact O-N 3.32Å; R411-E415 WeakPolarHBondContact CG-OE1 3.35Å; R411-E415 IonicContact CZ-OE1 3.41Å; R411-E415 IonicContact NE-OE1 2.86Å; R411-E415 PolarHBondContact NE-OE1 3.28Å; R411-E415 IonicContact NH2-OE1 2.79Å; R411-E415 WeakPolarHBondContact O-CG 3.25Å; R411-E415 PolarHBondContact O-N 2.98Å |
| 412 | S | 85.4 | Confident | 85.3 | Confident | 2 Ų | 2 | 76.8 Ų | 76.8 | 1% | 0.014 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -66.9 | -33.1 | -177.1 | -52.7 | 0 | 0 | 0 | 0 | 111.9 | T315 R318 T408 F409 L416 | T315-S412 VanDerWaalsContact CG2-OG 3.23Å; T315-S412 WeakPolarHBondContact CG2-OG 3.43Å; R318-S412 PolarHBondContact NH1-OG 3.4Å; T408-S412 WeakPolarHBondContact O-CB 3.37Å; T408-S412 PolarHBondContact O-N 2.89Å; T408-S412 PolarHBondContact O-OG 3.45Å; F409-S412 PolarHBondContact O-N 2.89Å; S412-L416 WeakPolarHBondContact O-CB 3.37Å; S412-L416 WeakPolarHBondContact O-CD1 3.24Å; S412-L416 VanDerWaalsContact O-CG 3.3Å; S412-L416 WeakPolarHBondContact O-CG 3.43Å; S412-L416 PolarHBondContact O-N 2.81Å; S412-L416 VanDerWaalsContact O-N 3.08Å |
| 413 | Y | 86.9 | Confident | 84.2 | Confident | 87 Ų | 87 | 77.2 Ų | 77.2 | 34% | 0.341 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63 | -46.8 | 172.1 | -177.6 | -97.7 | 0 | 0 | 0 | 111.7 | L307 S311 F409 R411 L416 K417 | L307-Y413 HydrophobicContact CD2-CE2 4.01Å; S311-Y413 VanDerWaalsContact OG-CA 3.28Å; S311-Y413 WeakPolarHBondContact OG-CA 3.48Å; S311-Y413 WeakPolarHBondContact OG-CB 3.2Å; S311-Y413 PolarHBondContact OG-N 2.99Å; F409-Y413 HydrophobicContact CZ-CD2 4.43Å; F409-Y413 VanDerWaalsContact O-CB 3.31Å; F409-Y413 WeakPolarHBondContact O-CB 3.41Å; F409-Y413 PolarHBondContact O-N 2.79Å; R411-Y413 VanDerWaalsContact C-N 3.29Å; R411-Y413 PolarHBondContact O-N 3.09Å; Y413-L416 PolarHBondContact O-N 3.4Å; Y413-K417 HydrophobicContact CE1-CD 4.37Å; Y413-K417 WeakPolarHBondContact O-CB 3Å; Y413-K417 PolarHBondContact O-N 3.14Å |
| 414 | S | 85.5 | Confident | 83 | Confident | 54 Ų | 54 | 77.2 Ų | 77.2 | 38% | 0.378 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.1 | -44.4 | 178.2 | -57.1 | 0 | 0 | 0 | 0 | 111.7 | S410 R411 L416 K417 E418 | S410-S414 WeakPolarHBondContact O-CB 3.41Å; S410-S414 PolarHBondContact O-N 3.01Å; S410-S414 PolarHBondContact O-OG 3.01Å; R411-S414 PolarHBondContact O-N 3.32Å; S414-L416 PolarHBondContact O-N 3.2Å; S414-K417 PolarHBondContact O-N 3.25Å; S414-E418 WeakPolarHBondContact O-CG 3.39Å; S414-E418 PolarHBondContact O-N 3.39Å |
| 415 | E | 83.8 | Confident | 81.8 | Confident | 52 Ų | 52 | 79.4 Ų | 79.4 | 24% | 0.243 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -58.9 | -47 | 176.2 | -73.5 | 171.4 | -173.6 | 0 | 0 | 112 | R318 R411 E418 Q419 | R318-E415 IonicContact CZ-OE2 3.99Å; R318-E415 IonicContact NH1-OE2 3.52Å; R318-E415 PolarHBondContact NH1-OE2 2.87Å; R318-E415 IonicContact NH2-OE2 3.89Å; R318-E415 PolarHBondContact NH2-OE2 3.46Å; R411-E415 WeakPolarHBondContact CG-OE1 3.35Å; R411-E415 IonicContact CZ-OE1 3.41Å; R411-E415 IonicContact NE-OE1 2.86Å; R411-E415 PolarHBondContact NE-OE1 3.28Å; R411-E415 IonicContact NH2-OE1 2.79Å; R411-E415 WeakPolarHBondContact O-CG 3.25Å; R411-E415 PolarHBondContact O-N 2.98Å; E415-E418 PolarHBondContact O-N 2.57Å; E415-Q419 WeakPolarHBondContact O-CG 3.47Å; E415-Q419 PolarHBondContact O-N 3.42Å |
| 416 | L | 82.6 | Confident | 80.2 | Confident | 28 Ų | 28 | 83.8 Ų | 83.8 | 15% | 0.147 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -66.4 | -38 | 177.9 | -73.6 | 167.6 | 0 | 0 | 0 | 112.5 | L307 L314 S412 Y413 S414 Q419 Q420 | L307-L416 HydrophobicContact CD1-CB 3.88Å; L307-L416 HydrophobicContact CG-CB 4.41Å; L314-L416 HydrophobicContact CD1-CD1 3.72Å; L314-L416 HydrophobicContact CD1-CD2 3.85Å; L314-L416 HydrophobicContact CD1-CG 4.21Å; S412-L416 WeakPolarHBondContact O-CB 3.37Å; S412-L416 WeakPolarHBondContact O-CD1 3.24Å; S412-L416 VanDerWaalsContact O-CG 3.3Å; S412-L416 WeakPolarHBondContact O-CG 3.43Å; S412-L416 PolarHBondContact O-N 2.81Å; S412-L416 VanDerWaalsContact O-N 3.08Å; Y413-L416 PolarHBondContact O-N 3.4Å; S414-L416 PolarHBondContact O-N 3.2Å; L416-Q419 PolarHBondContact O-N 3.47Å; L416-Q420 WeakPolarHBondContact O-CB 3.49Å; L416-Q420 PolarHBondContact O-N 2.9Å |
| 417 | K | 85.4 | Confident | 78.1 | Confident | 101 Ų | 101 | 85.8 Ų | 85.8 | 44% | 0.439 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.4 | -44 | 176.9 | -173.4 | -179.2 | 178.8 | -175 | 0 | 110.9 | L307 Y413 S414 Q420 Q421 | L307-K417 HydrophobicContact CD2-CB 4.17Å; Y413-K417 HydrophobicContact CE1-CD 4.37Å; Y413-K417 WeakPolarHBondContact O-CB 3Å; Y413-K417 PolarHBondContact O-N 3.14Å; S414-K417 PolarHBondContact O-N 3.25Å; K417-Q420 PolarHBondContact O-N 3.32Å; K417-Q421 WeakPolarHBondContact O-CG 3.13Å; K417-Q421 PolarHBondContact O-N 2.96Å |
| 418 | E | 83.8 | Confident | 75.9 | Confident | 96 Ų | 96 | 84.5 Ų | 84.5 | 45% | 0.449 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -62.8 | -43.4 | 175.1 | -75.7 | -177 | -163.2 | 0 | 0 | 112 | S414 E415 Q420 Q421 R422 | S414-E418 WeakPolarHBondContact O-CG 3.39Å; S414-E418 PolarHBondContact O-N 3.39Å; E415-E418 PolarHBondContact O-N 2.57Å; E418-Q420 VanDerWaalsContact C-N 3.34Å; E418-Q420 PolarHBondContact O-N 2.97Å; E418-Q421 PolarHBondContact O-N 3.46Å; E418-R422 WeakPolarHBondContact O-CG 3.38Å; E418-R422 PolarHBondContact O-N 2.88Å; E418-R422 IonicContact OE2-NH2 2.96Å; E418-R422 PolarHBondContact OE2-NH2 3.34Å |
| 419 | Q | 79.2 | Confident | 73.7 | Confident | 119 Ų | 119 | 87 Ų | 87 | 56% | 0.556 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -60.6 | -43.4 | 176.1 | -74.1 | 176.2 | -7 | 0 | 0 | 111.8 | E415 L416 R422 A423 | E415-Q419 WeakPolarHBondContact O-CG 3.47Å; E415-Q419 PolarHBondContact O-N 3.42Å; L416-Q419 PolarHBondContact O-N 3.47Å; Q419-R422 PolarHBondContact O-N 3.37Å; Q419-A423 WeakPolarHBondContact O-CB 3.38Å; Q419-A423 PolarHBondContact O-N 2.97Å |
| 420 | Q | 76.9 | Confident | 71.5 | Confident | 73 Ų | 73 | 90.9 Ų | 90.9 | 34% | 0.341 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.1 | -39.2 | 176.5 | -173.1 | 175 | -14.8 | 0 | 0 | 111.8 | H172 L307 L416 K417 E418 A423 T424 | H172-Q420 PolarHBondContact NE2-NE2 3.13Å; H172-Q420 VanDerWaalsContact NE2-NE2 3.17Å; L307-Q420 VanDerWaalsContact CD1-OE1 3.29Å; L416-Q420 WeakPolarHBondContact O-CB 3.49Å; L416-Q420 PolarHBondContact O-N 2.9Å; K417-Q420 PolarHBondContact O-N 3.32Å; E418-Q420 VanDerWaalsContact C-N 3.34Å; E418-Q420 PolarHBondContact O-N 2.97Å; Q420-A423 PolarHBondContact O-N 3.45Å; Q420-T424 WeakPolarHBondContact O-CB 3.45Å; Q420-T424 PolarHBondContact O-N 3.42Å; Q420-T424 PolarHBondContact O-OG1 3.44Å |
| 421 | Q | 78.8 | Confident | 69.1 | Low | 108 Ų | 108 | 98.5 Ų | 98.5 | 51% | 0.505 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.1 | -46.3 | 174.3 | -75.7 | 176.9 | -21.8 | 0 | 0 | 111.6 | K417 E418 A423 T424 S425 | K417-Q421 WeakPolarHBondContact O-CG 3.13Å; K417-Q421 PolarHBondContact O-N 2.96Å; E418-Q421 PolarHBondContact O-N 3.46Å; Q421-A423 VanDerWaalsContact C-N 3.31Å; Q421-A423 PolarHBondContact O-N 3.45Å; Q421-T424 CarbonylContact O-C 3.52Å; Q421-T424 PolarHBondContact O-N 2.89Å; Q421-S425 PolarHBondContact O-N 3.15Å; Q421-S425 PolarHBondContact O-OG 2.98Å |
| 422 | R | 74.9 | Confident | 67.1 | Low | 159 Ų | 159 | 101.2 Ų | 101.2 | 60% | 0.6 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.1 | -38.9 | 176.2 | -71.6 | -177.6 | -166.7 | 152.5 | 13.1 | 112.5 | E418 Q419 T424 | E418-R422 WeakPolarHBondContact O-CG 3.38Å; E418-R422 PolarHBondContact O-N 2.88Å; E418-R422 IonicContact OE2-NH2 2.96Å; E418-R422 PolarHBondContact OE2-NH2 3.34Å; Q419-R422 PolarHBondContact O-N 3.37Å; R422-T424 PolarHBondContact O-N 2.83Å |
| 423 | A | 66.7 | Low | 64.9 | Low | 86 Ų | 86 | 106.6 Ų | 106.6 | 71% | 0.711 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -69.5 | -22.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q419 Q420 Q421 | Q419-A423 WeakPolarHBondContact O-CB 3.38Å; Q419-A423 PolarHBondContact O-N 2.97Å; Q420-A423 PolarHBondContact O-N 3.45Å; Q421-A423 VanDerWaalsContact C-N 3.31Å; Q421-A423 PolarHBondContact O-N 3.45Å |
| 424 | T | 65.3 | Low | 62.6 | Low | 78 Ų | 78 | 106.8 Ų | 106.8 | 48% | 0.479 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -94.2 | -26 | 179.1 | -46.5 | 0 | 0 | 0 | 0 | 112.1 | H172 Q420 Q421 R422 P426 | H172-T424 HydrophobicContact CB-CG2 4.39Å; Q420-T424 WeakPolarHBondContact O-CB 3.45Å; Q420-T424 PolarHBondContact O-N 3.42Å; Q420-T424 PolarHBondContact O-OG1 3.44Å; Q421-T424 CarbonylContact O-C 3.52Å; Q421-T424 PolarHBondContact O-N 2.89Å; R422-T424 PolarHBondContact O-N 2.83Å; T424-P426 WeakPolarHBondContact O-CD 3.39Å |
| 425 | S | 62.8 | Low | 60.4 | Low | 78 Ų | 78 | 109.2 Ų | 109.2 | 55% | 0.545 | 58% | 0.581 | S | S | . | * | S | Bend | trans | -68.3 | 120.6 | 174.3 | -69.7 | 0 | 0 | 0 | 0 | 109.9 | Q421 E427 | Q421-S425 PolarHBondContact O-N 3.15Å; Q421-S425 PolarHBondContact O-OG 2.98Å; S425-E427 PolarHBondContact O-N 3.04Å |
| 426 | P | 54.5 | Low | 58.3 | Low | 119 Ų | 119 | 116.7 Ų | 116.7 | 77% | 0.773 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 126.2 | 169.1 | 24.5 | -30.1 | 0 | 0 | 0 | 108.3 | T424 | T424-P426 WeakPolarHBondContact O-CD 3.39Š|
| 427 | E | 46.8 | Very low | 56.1 | Low | 171 Ų | 171 | 119.7 Ų | 119.7 | 80% | 0.799 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 125 | 173.9 | -150.5 | -175.8 | 150.1 | 0 | 0 | 108.9 | S425 A429 | S425-E427 PolarHBondContact O-N 3.04Å; E427-A429 PolarHBondContact O-N 3.13Å |
| 428 | P | 42.1 | Very low | 53.9 | Low | 102 Ų | 102 | 118.3 Ų | 118.3 | 66% | 0.662 | 64% | 0.638 | S | S | * | * | trans | -76.8 | 68.8 | 175.4 | 32 | -32.5 | 0 | 0 | 0 | 109 | L430 | P428-L430 PolarHBondContact O-N 2.99Š| ||
| 429 | A | 42.2 | Very low | 51.7 | Low | 85 Ų | 85 | 119.6 Ų | 119.6 | 70% | 0.702 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | 26 | 174 | 0 | 0 | 0 | 0 | 0 | 113.1 | E427 | E427-A429 PolarHBondContact O-N 3.13Š|
| 430 | L | 42.3 | Very low | 49.7 | Very low | 137 Ų | 137 | 117.9 Ų | 117.9 | 72% | 0.717 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.5 | 22 | -174.5 | -83.1 | 164.6 | 0 | 0 | 0 | 113.5 | P428 | P428-L430 PolarHBondContact O-N 2.99Š|
| 431 | R | 39.5 | Very low | 47.8 | Very low | 213 Ų | 213 | 120 Ų | 120 | 80% | 0.804 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -95.7 | -0.3 | 173.5 | -87.6 | -171 | 172.6 | 177.2 | -2 | 115.3 | ||
| 432 | E | 43.2 | Very low | 45.6 | Very low | 177 Ų | 177 | 123.8 Ų | 123.8 | 83% | 0.827 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -88.2 | -10.2 | 174.4 | -72.2 | -171.2 | 138.5 | 0 | 0 | 114.1 | ||
| 433 | D | 39.9 | Very low | 43.6 | Very low | 115 Ų | 115 | 123.9 Ų | 123.9 | 62% | 0.615 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -91.6 | -21.1 | -179.9 | -106.7 | -9 | 0 | 0 | 0 | 114.2 | ||
| 434 | S | 37.8 | Very low | 42 | Very low | 92 Ų | 92 | 125.3 Ų | 125.3 | 64% | 0.643 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | -20.7 | -178.5 | -63.6 | 0 | 0 | 0 | 0 | 114.1 | ||
| 435 | T | 40.9 | Very low | 40.3 | Very low | 105 Ų | 105 | 127.5 Ų | 127.5 | 64% | 0.644 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | -14.2 | 175.6 | 26.6 | 0 | 0 | 0 | 0 | 113.5 | ||
| 436 | R | 39.5 | Very low | 38.7 | Very low | 208 Ų | 208 | 133.4 Ų | 133.4 | 79% | 0.785 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | -19.9 | 174.4 | -106.6 | -179.8 | 162 | 159.5 | -3.5 | 114.2 | T439 | R436-T439 PolarHBondContact O-OG1 3.36Š|
| 437 | S | 36 | Very low | 37.4 | Very low | 92 Ų | 92 | 131.2 Ų | 131.2 | 64% | 0.643 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -90.9 | -12.2 | 179.7 | -159.2 | 0 | 0 | 0 | 0 | 113.7 | ||
| 438 | A | 38 | Very low | 37.4 | Very low | 72 Ų | 72 | 128.6 Ų | 128.6 | 60% | 0.595 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -87.2 | -15.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 439 | T | 38 | Very low | 36.7 | Very low | 122 Ų | 122 | 131.7 Ų | 131.7 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | 7.6 | 180 | 37.8 | 0 | 0 | 0 | 0 | 114.3 | R436 | R436-T439 PolarHBondContact O-OG1 3.36Š|
| 440 | A | 36.9 | Very low | 36 | Very low | 83 Ų | 83 | 131.4 Ų | 131.4 | 69% | 0.686 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.1 | 3.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 441 | T | 37 | Very low | 35.3 | Very low | 119 Ų | 119 | 130.2 Ų | 130.2 | 73% | 0.73 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -137.5 | 34.7 | -175 | 35.1 | 0 | 0 | 0 | 0 | 114.5 | ||
| 442 | E | 33.4 | Very low | 34.7 | Very low | 186 Ų | 186 | 123.6 Ų | 123.6 | 87% | 0.869 | 77% | 0.77 | S | S | * | * | trans | -135.8 | 69.5 | 165.8 | -72.5 | -173.2 | 163.2 | 0 | 0 | 109.4 | ||||
| 443 | D | 33.2 | Very low | 33.9 | Very low | 161 Ų | 161 | 124.5 Ų | 124.5 | 86% | 0.861 | 78% | 0.775 | S | S | * | * | trans | -143.2 | 65.6 | 165 | -145.6 | 10.5 | 0 | 0 | 0 | 109.4 | ||||
| 444 | S | 31.8 | Very low | 33.3 | Very low | 117 Ų | 117 | 124.1 Ų | 124.1 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | -175.2 | 100.6 | 159.3 | 8 | 0 | 0 | 0 | 0 | 111 | ||||
| 445 | S | 30.6 | Very low | 32.8 | Very low | 124 Ų | 124 | 124.6 Ų | 124.6 | 87% | 0.867 | 80% | 0.796 | S | S | * | * | 161.6 | 129.3 | 124.2 | 59.8 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 446 | Q | 29.7 | Very low | 32.2 | Very low | 202 Ų | 202 | 127.6 Ų | 127.6 | 94% | 0.944 | 81% | 0.809 | S | S | * | * | trans | -71.4 | 154.9 | 177.2 | -65.5 | 161.6 | -20 | 0 | 0 | 113.2 | ||||
| 447 | G | 26.1 | Very low | 31.7 | Very low | 73 Ų | 73 | 123.4 Ų | 123.4 | 75% | 0.753 | 81% | 0.811 | S | S | * | * | trans | 122.8 | 148.4 | 140.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 448 | P | 47.7 | Very low | 31.3 | Very low | 116 Ų | 116 | 123.5 Ų | 123.5 | 75% | 0.753 | 82% | 0.817 | S | S | * | * | trans | -113.2 | -177.5 | -140.7 | 39.1 | -26.7 | 0 | 0 | 0 | 115.7 | ||||
| 449 | D | 27.1 | Very low | 30.8 | Very low | 166 Ų | 166 | 128.1 Ų | 128.1 | 89% | 0.888 | 83% | 0.832 | S | S | * | * | trans | 94.8 | 130.3 | 163 | -59.4 | -25.9 | 0 | 0 | 0 | 119.1 | ||||
| 450 | G | 26.8 | Very low | 30.4 | Very low | 79 Ų | 79 | 127 Ų | 127 | 81% | 0.814 | 84% | 0.836 | S | S | * | * | trans | 152.9 | 87 | 163 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 451 | A | 28.4 | Very low | 30 | Very low | 113 Ų | 113 | 130.4 Ų | 130.4 | 93% | 0.934 | 84% | 0.841 | S | S | * | * | trans | -62.9 | 150.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 452 | G | 26.3 | Very low | 29.7 | Very low | 73 Ų | 73 | 135.3 Ų | 135.3 | 75% | 0.753 | 85% | 0.847 | S | S | * | * | trans | 169.4 | 84 | 167.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 453 | Q | 27.2 | Very low | 29.6 | Very low | 197 Ų | 197 | 133.5 Ų | 133.5 | 92% | 0.921 | 85% | 0.848 | S | S | * | * | trans | 20.2 | 120 | 141.6 | -68.7 | 166.9 | -12.2 | 0 | 0 | 120.3 | ||||
| 454 | A | 27.3 | Very low | 29.4 | Very low | 107 Ų | 107 | 137.8 Ų | 137.8 | 88% | 0.884 | 85% | 0.852 | S | S | * | * | trans | -172.8 | 94.2 | 136.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 455 | A | 26.6 | Very low | 29.4 | Very low | 101 Ų | 101 | 137 Ų | 137 | 84% | 0.835 | 85% | 0.852 | S | S | * | * | trans | -161.4 | 80.1 | 162.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 456 | D | 28.3 | Very low | 29.5 | Very low | 168 Ų | 168 | 140.3 Ų | 140.3 | 90% | 0.898 | 85% | 0.854 | S | S | * | * | trans | -132.4 | 86.1 | 167.6 | -115.4 | -12.7 | 0 | 0 | 0 | 108.6 | ||||
| 457 | S | 29.3 | Very low | 29.5 | Very low | 120 Ų | 120 | 146 Ų | 146 | 84% | 0.839 | 87% | 0.867 | S | S | * | * | S | Bend | trans | -178.3 | 67 | 157.6 | 63.4 | 0 | 0 | 0 | 0 | 111.2 | ||
| 458 | A | 27.7 | Very low | 29.7 | Very low | 94 Ų | 94 | 149.7 Ų | 149.7 | 78% | 0.777 | 87% | 0.873 | S | S | * | * | trans | -151.7 | 7.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 459 | D | 27.5 | Very low | 28.7 | Very low | 169 Ų | 169 | 151.5 Ų | 151.5 | 90% | 0.904 | 88% | 0.879 | S | S | * | * | trans | -92.9 | 11.3 | -171.9 | -99.2 | -7.4 | 0 | 0 | 0 | 116 | ||||
| 460 | A | 29.6 | Very low | 28.8 | Very low | 99 Ų | 99 | 150.7 Ų | 150.7 | 82% | 0.818 | 88% | 0.879 | S | S | * | * | S | Bend | trans | -98.8 | 24.3 | -170.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 461 | L | 29.3 | Very low | 28.9 | Very low | 155 Ų | 155 | 154.9 Ų | 154.9 | 81% | 0.812 | 88% | 0.883 | S | S | * | * | S | Bend | trans | -138.7 | 19.2 | -172.7 | -97.6 | 164.5 | 0 | 0 | 0 | 118.8 | ||
| 462 | W | 29.2 | Very low | 29 | Very low | 222 Ų | 222 | 157.5 Ų | 157.5 | 84% | 0.841 | 88% | 0.879 | S | S | * | * | trans | -128.6 | 30.6 | -176.8 | -79.1 | 104.7 | 0 | 0 | 0 | 117.9 | ||||
| 463 | V | 31.4 | Very low | 29.2 | Very low | 148 Ų | 148 | 163.1 Ų | 163.1 | 90% | 0.897 | 89% | 0.888 | S | S | * | * | trans | -118.2 | 38.2 | 178.2 | -170.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 464 | R | 30.1 | Very low | 29.3 | Very low | 251 Ų | 251 | 160.7 Ų | 160.7 | 95% | 0.947 | 89% | 0.885 | S | S | * | * | trans | -150.2 | 73.5 | 170.5 | -126.3 | 179.5 | -159.9 | 170.1 | 5.6 | 114.1 | ||||
| 465 | A | 30.6 | Very low | 29.5 | Very low | 99 Ų | 99 | 164.8 Ų | 164.8 | 82% | 0.818 | 89% | 0.886 | S | S | * | * | trans | -157.7 | 48.1 | 160.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 466 | E | 33.9 | Very low | 29.7 | Very low | 195 Ų | 195 | 170.2 Ų | 170.2 | 91% | 0.911 | 89% | 0.89 | S | S | * | * | trans | -139.6 | 87.4 | 154.9 | -83.3 | -171.2 | 158.8 | 0 | 0 | 108 | ||||
| 467 | R | 29.6 | Very low | 29.8 | Very low | 322 Ų | 322 | 170.4 Ų | 170.4 | 100% | 1.215 | 89% | 0.889 | S | S | * | * | trans | -162.8 | 0 | 143.9 | -103 | -176.7 | -152.9 | -165.8 | 5.4 | 108.9 |
Retrieved 467 of 467 residues in 225.5 ms
(Link to these results)