| 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 | 36.6 | Very low | 33.2 | Very low | 242 Ų | 242 | 172.5 Ų | 172.5 | 100% | 1.192 | 88% | 0.875 | S | S | * | * | 0 | 86.2 | 0 | -91.8 | -177.3 | 172.2 | 0 | 0 | 106.3 | |||||
| 2 | D | 30.6 | Very low | 33.8 | Very low | 158 Ų | 158 | 162.4 Ų | 162.4 | 85% | 0.845 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 142.1 | 171.3 | -68.1 | -49.8 | 0 | 0 | 0 | 108.9 | ||
| 3 | P | 33.5 | Very low | 35.2 | Very low | 113 Ų | 113 | 155 Ų | 155 | 73% | 0.734 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -74 | 152.8 | -177.9 | 30.7 | -32.4 | 0 | 0 | 0 | 110.8 | E5 | P3-E5 PolarHBondContact O-N 3.34Š|
| 4 | P | 37.8 | Very low | 36.9 | Very low | 125 Ų | 125 | 150.1 Ų | 150.1 | 81% | 0.812 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 126.4 | -176.3 | 28.8 | -32 | 0 | 0 | 0 | 110.8 | K6 | P4-K6 PolarHBondContact O-N 3.34Š|
| 5 | E | 32.2 | Very low | 38.9 | Very low | 190 Ų | 190 | 141.8 Ų | 141.8 | 89% | 0.888 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 119.9 | 173.2 | -163.5 | 177.8 | -179.6 | 0 | 0 | 110.3 | P3 A7 | P3-E5 PolarHBondContact O-N 3.34Å; E5-A7 PolarHBondContact O-N 2.87Å |
| 6 | K | 33.1 | Very low | 41.1 | Very low | 204 Ų | 204 | 136.9 Ų | 136.9 | 89% | 0.887 | 75% | 0.752 | S | S | * | * | trans | -65 | 101.8 | 175.2 | -76.1 | 179.9 | 179.2 | 174.9 | 0 | 109.2 | P4 G8 | P4-K6 PolarHBondContact O-N 3.34Å; K6-G8 PolarHBondContact O-N 2.96Å | ||
| 7 | A | 32.3 | Very low | 43.3 | Very low | 98 Ų | 98 | 130.6 Ų | 130.6 | 81% | 0.81 | 72% | 0.718 | S | S | * | * | trans | -58.2 | 96.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | E5 K9 | E5-A7 PolarHBondContact O-N 2.87Å; A7-K9 PolarHBondContact O-N 2.88Å; A7-K9 VanDerWaalsContact O-N 3.08Å | ||
| 8 | G | 29 | Very low | 45.5 | Very low | 68 Ų | 68 | 124.5 Ų | 124.5 | 70% | 0.701 | 69% | 0.689 | S | S | * | * | trans | -64.8 | 104.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | K6 R10 | K6-G8 PolarHBondContact O-N 2.96Å; G8-R10 PolarHBondContact O-N 3.08Å | ||
| 9 | K | 32.7 | Very low | 47.8 | Very low | 203 Ų | 203 | 121.2 Ų | 121.2 | 88% | 0.883 | 69% | 0.687 | S | S | * | * | trans | -56.6 | 97 | 162.7 | -87.9 | 178.7 | 174.6 | 174.1 | 0 | 108.9 | A7 R11 | A7-K9 PolarHBondContact O-N 2.88Å; A7-K9 VanDerWaalsContact O-N 3.08Å; K9-R11 PolarHBondContact O-N 2.78Å | ||
| 10 | R | 32.7 | Very low | 50 | Low | 249 Ų | 249 | 119.1 Ų | 119.1 | 94% | 0.94 | 67% | 0.668 | S | S | * | * | trans | -62.8 | 101.8 | 169.8 | -72.9 | -177.2 | 176.9 | -176.4 | -0.2 | 108.9 | G8 G12 | G8-R10 PolarHBondContact O-N 3.08Å; R10-G12 PolarHBondContact O-N 3.12Å; R10-G12 VanDerWaalsContact O-N 3.12Å | ||
| 11 | R | 35.3 | Very low | 51.9 | Low | 248 Ų | 248 | 113.4 Ų | 113.4 | 94% | 0.936 | 64% | 0.636 | S | S | * | * | trans | -62.7 | 104.8 | 172.3 | -81.6 | 176.3 | 164.8 | 173.9 | -4.4 | 109.3 | K9 | K9-R11 PolarHBondContact O-N 2.78Š| ||
| 12 | G | 40.3 | Very low | 54.6 | Low | 51 Ų | 51 | 107.2 Ų | 107.2 | 53% | 0.526 | 60% | 0.599 | S | S | . | * | trans | -57.8 | 138.7 | 158.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | R10 A14 | R10-G12 PolarHBondContact O-N 3.12Å; R10-G12 VanDerWaalsContact O-N 3.12Å; G12-A14 PolarHBondContact O-N 3.01Å | ||
| 13 | A | 51.8 | Low | 57.7 | Low | 66 Ų | 66 | 103.1 Ų | 103.1 | 55% | 0.545 | 58% | 0.577 | S | S | . | * | trans | -51.7 | 105.1 | -177 | 0 | 0 | 0 | 0 | 0 | 110 | A202 | A13-A202 HydrophobicContact CB-CB 3.93Š| ||
| 14 | A | 58.7 | Low | 60.5 | Low | 87 Ų | 87 | 97.7 Ų | 97.7 | 72% | 0.719 | 54% | 0.542 | S | S | * | . | trans | -65.9 | 147.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | G12 | G12-A14 PolarHBondContact O-N 3.01Š| ||
| 15 | A | 67.4 | Low | 63.3 | Low | 25 Ų | 25 | 92.6 Ų | 92.6 | 21% | 0.207 | 51% | 0.507 | C | S | . | . | trans | -51.2 | 131.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | D17 D142 | A15-D17 PolarHBondContact O-N 2.75Å; A15-D142 HydrophobicContact CB-CB 3.57Å | ||
| 16 | P | 73.7 | Confident | 66.3 | Low | 64 Ų | 64 | 87.2 Ų | 87.2 | 42% | 0.416 | 48% | 0.484 | S | S | . | . | trans | -61.5 | -29.1 | -173.2 | -24.5 | 32.6 | 0 | 0 | 0 | 113.8 | G18 Y140 L200 | P16-G18 PolarHBondContact O-N 3.24Å; P16-Y140 WeakPolarHBondContact CD-O 2.89Å; P16-Y140 HydrophobicContact CG-CD1 4Å; P16-Y140 HydrophobicContact CG-CE1 4.28Å; P16-L200 HydrophobicContact CG-CD2 4.01Å | ||
| 17 | D | 78.3 | Confident | 69.4 | Low | 30 Ų | 30 | 77.5 Ų | 77.5 | 16% | 0.16 | 44% | 0.442 | C | S | . | . | S | Bend | trans | 48.8 | 17.7 | -176.2 | -82.6 | -47.1 | 0 | 0 | 0 | 113.9 | A15 Y140 F141 D142 R143 R144 | A15-D17 PolarHBondContact O-N 2.75Å; D17-Y140 PolarHBondContact N-O 3.27Å; D17-Y140 VanDerWaalsContact N-O 3.08Å; D17-F141 VanDerWaalsContact OD1-CA 3.27Å; D17-F141 WeakPolarHBondContact OD1-CA 3.35Å; D17-D142 PolarHBondContact OD1-N 2.7Å; D17-R143 PolarHBondContact OD1-N 2.76Å; D17-R143 WeakPolarHBondContact OD2-CB 3.25Å; D17-R143 PolarHBondContact OD2-N 2.94Å; D17-R144 PolarHBondContact OD1-N 3.05Å |
| 18 | G | 83.4 | Confident | 72.4 | Confident | 20 Ų | 20 | 72.8 Ų | 72.8 | 21% | 0.206 | 40% | 0.404 | C | S | . | . | S | Bend | trans | -179.5 | -178.5 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | P16 Y20 A21 | P16-G18 PolarHBondContact O-N 3.24Å; G18-Y20 PolarHBondContact O-N 2.78Å; G18-A21 VanDerWaalsContact O-CB 3.3Å; G18-A21 WeakPolarHBondContact O-CB 3.34Å; G18-A21 PolarHBondContact O-N 3.36Å |
| 19 | G | 89.2 | Confident | 75.7 | Confident | 62 Ų | 62 | 71.3 Ų | 71.3 | 64% | 0.639 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.8 | -121.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | A21 W22 | G19-A21 PolarHBondContact O-N 3.43Å; G19-A21 VanDerWaalsContact O-N 3.11Å; G19-W22 PolarHBondContact O-N 3.41Å; G19-W22 VanDerWaalsContact O-N 3.15Å |
| 20 | Y | 90.8 | Very high | 78.8 | Confident | 78 Ų | 78 | 65.7 Ų | 65.7 | 31% | 0.306 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -18.2 | -179.8 | -158.6 | -88.9 | 0 | 0 | 0 | 113.4 | G18 W22 L23 I24 Y140 L196 R198 | G18-Y20 PolarHBondContact O-N 2.78Å; Y20-W22 PolarHBondContact O-N 3.46Å; Y20-L23 HydrophobicContact CD2-CD1 3.66Å; Y20-L23 HydrophobicContact CE2-CD1 3.58Å; Y20-L23 HydrophobicContact CG-CD1 4.35Å; Y20-L23 WeakPolarHBondContact O-CB 3.25Å; Y20-L23 PolarHBondContact O-N 3.43Å; Y20-I24 HydrophobicContact CD1-CD1 4.12Å; Y20-I24 HydrophobicContact CD1-CG1 4.04Å; Y20-I24 HydrophobicContact CE1-CD1 3.79Å; Y20-I24 HydrophobicContact CE1-CG1 4.21Å; Y20-I24 PolarHBondContact O-N 3.19Å; Y20-Y140 HydrophobicContact CD1-CE1 4.08Å; Y20-L196 VanDerWaalsContact CE1-O 3.23Å; Y20-L196 WeakPolarHBondContact CE1-O 3.47Å; Y20-L196 PolarHBondContact OH-O 3.49Å; Y20-R198 HydrophobicContact CD1-CB 4.15Å; Y20-R198 HydrophobicContact CE1-CB 3.51Å |
| 21 | A | 90.4 | Very high | 81.9 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -55.5 | -34 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | G18 G19 L23 I24 L25 Y140 F141 | G18-A21 VanDerWaalsContact O-CB 3.3Å; G18-A21 WeakPolarHBondContact O-CB 3.34Å; G18-A21 PolarHBondContact O-N 3.36Å; G19-A21 PolarHBondContact O-N 3.43Å; G19-A21 VanDerWaalsContact O-N 3.11Å; A21-L23 VanDerWaalsContact C-N 3.34Å; A21-L23 PolarHBondContact O-N 3.48Å; A21-I24 PolarHBondContact O-N 2.81Å; A21-L25 PolarHBondContact O-N 2.78Å; A21-Y140 HydrophobicContact CB-CD1 3.82Å; A21-Y140 HydrophobicContact CB-CG 4.4Å; A21-F141 HydrophobicContact CB-CD2 4.43Å; A21-F141 HydrophobicContact CB-CE1 4.04Å; A21-F141 HydrophobicContact CB-CE2 3.81Å; A21-F141 HydrophobicContact CB-CZ 3.6Å; A21-F141 WeakPolarHBondContact O-CE2 3.29Å |
| 22 | W | 93.4 | Very high | 84.7 | Confident | 113 Ų | 113 | 43.2 Ų | 43.2 | 43% | 0.428 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -68.8 | -30.7 | 177.1 | -64.4 | 112.9 | 0 | 0 | 0 | 113.1 | G19 Y20 L25 L26 F141 L151 | G19-W22 PolarHBondContact O-N 3.41Å; G19-W22 VanDerWaalsContact O-N 3.15Å; Y20-W22 PolarHBondContact O-N 3.46Å; W22-L25 HydrophobicContact CE3-CD1 3.94Å; W22-L25 HydrophobicContact CZ3-CD1 3.89Å; W22-L25 PolarHBondContact O-N 3.38Å; W22-L26 WeakPolarHBondContact O-CB 3.26Å; W22-L26 PolarHBondContact O-N 3.3Å; W22-F141 HydrophobicContact CE3-CZ 4.39Å; W22-L151 HydrophobicContact CZ3-CD1 4.2Å |
| 23 | L | 94.9 | Very high | 87.4 | Confident | 71 Ų | 71 | 40.8 Ų | 40.8 | 37% | 0.372 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -72 | -36.4 | 173 | -68.4 | 174.4 | 0 | 0 | 0 | 111.6 | Y20 A21 L25 L26 S27 | Y20-L23 HydrophobicContact CD2-CD1 3.66Å; Y20-L23 HydrophobicContact CE2-CD1 3.58Å; Y20-L23 HydrophobicContact CG-CD1 4.35Å; Y20-L23 WeakPolarHBondContact O-CB 3.25Å; Y20-L23 PolarHBondContact O-N 3.43Å; A21-L23 VanDerWaalsContact C-N 3.34Å; A21-L23 PolarHBondContact O-N 3.48Å; L23-L25 VanDerWaalsContact C-N 3.32Å; L23-L26 PolarHBondContact O-N 3.5Å; L23-S27 WeakPolarHBondContact O-CB 3.3Å; L23-S27 PolarHBondContact O-N 3.23Å |
| 24 | I | 93.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.1 | -40.6 | 171.8 | -57.4 | -63.6 | 0 | 0 | 0 | 110.4 | Y20 A21 S27 C28 M136 L137 Y140 L197 | Y20-I24 HydrophobicContact CD1-CD1 4.12Å; Y20-I24 HydrophobicContact CD1-CG1 4.04Å; Y20-I24 HydrophobicContact CE1-CD1 3.79Å; Y20-I24 HydrophobicContact CE1-CG1 4.21Å; Y20-I24 PolarHBondContact O-N 3.19Å; A21-I24 PolarHBondContact O-N 2.81Å; I24-S27 WeakPolarHBondContact O-CB 2.99Å; I24-S27 PolarHBondContact O-N 2.79Å; I24-C28 WeakPolarHBondContact O-CB 3.11Å; I24-C28 PolarHBondContact O-N 2.73Å; I24-M136 HydrophobicContact CG2-CB 4.23Å; I24-L137 HydrophobicContact CG2-CD1 4.45Å; I24-Y140 HydrophobicContact CB-CG 4.44Å; I24-Y140 HydrophobicContact CD1-CE2 4.12Å; I24-Y140 HydrophobicContact CG1-CD1 4.02Å; I24-Y140 HydrophobicContact CG1-CD2 3.89Å; I24-Y140 HydrophobicContact CG1-CE1 3.99Å; I24-Y140 HydrophobicContact CG1-CE2 3.85Å; I24-Y140 HydrophobicContact CG1-CG 3.95Å; I24-Y140 HydrophobicContact CG2-CD2 4.38Å; I24-L197 HydrophobicContact CD1-CD2 3.88Å; I24-L197 HydrophobicContact CG2-CD2 4.3Å |
| 25 | L | 94.9 | Very high | 91.3 | Very high | 17 Ų | 17 | 34.1 Ų | 34.1 | 9% | 0.089 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.2 | -47 | 173.9 | -172.6 | 156.9 | 0 | 0 | 0 | 111.5 | A21 W22 L23 S27 C28 F29 L137 F141 A148 L151 | A21-L25 PolarHBondContact O-N 2.78Å; W22-L25 HydrophobicContact CE3-CD1 3.94Å; W22-L25 HydrophobicContact CZ3-CD1 3.89Å; W22-L25 PolarHBondContact O-N 3.38Å; L23-L25 VanDerWaalsContact C-N 3.32Å; L25-S27 VanDerWaalsContact C-N 3.33Å; L25-S27 PolarHBondContact O-N 2.85Å; L25-C28 CarbonylContact O-C 3.54Å; L25-C28 WeakPolarHBondContact O-CA 3.25Å; L25-C28 WeakPolarHBondContact O-CB 3.33Å; L25-C28 PolarHBondContact O-N 3.06Å; L25-C28 VanDerWaalsContact O-N 3.08Å; L25-F29 WeakPolarHBondContact O-CB 3.08Å; L25-F29 PolarHBondContact O-N 2.88Å; L25-L137 HydrophobicContact CB-CD1 3.99Å; L25-L137 HydrophobicContact CG-CD1 4.35Å; L25-F141 HydrophobicContact CB-CE2 4.11Å; L25-F141 HydrophobicContact CB-CZ 4.4Å; L25-F141 HydrophobicContact CD1-CE2 4.18Å; L25-F141 HydrophobicContact CD1-CZ 4.05Å; L25-A148 HydrophobicContact CD1-CB 4.08Å; L25-L151 HydrophobicContact CD1-CB 4.1Å; L25-L151 HydrophobicContact CD1-CD1 4.17Å; L25-L151 HydrophobicContact CD2-CB 4.1Å |
| 26 | L | 96.9 | Very high | 92.5 | Very high | 77 Ų | 77 | 35 Ų | 35 | 40% | 0.403 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -60.3 | -42.5 | 176.5 | -176.3 | 65.4 | 0 | 0 | 0 | 111.9 | W22 L23 C28 F29 F30 | W22-L26 WeakPolarHBondContact O-CB 3.26Å; W22-L26 PolarHBondContact O-N 3.3Å; L23-L26 PolarHBondContact O-N 3.5Å; L26-C28 VanDerWaalsContact C-N 3.32Å; L26-C28 PolarHBondContact O-N 3.4Å; L26-F29 WeakPolarHBondContact O-CB 3.25Å; L26-F29 PolarHBondContact O-N 3.42Å; L26-F30 HydrophobicContact CD1-CD2 4.15Å; L26-F30 HydrophobicContact CD1-CE2 3.66Å; L26-F30 HydrophobicContact CG-CD2 4.17Å; L26-F30 HydrophobicContact CG-CE2 3.95Å; L26-F30 VanDerWaalsContact O-CD2 3.31Å; L26-F30 WeakPolarHBondContact O-CD2 3.38Å; L26-F30 PolarHBondContact O-N 3.01Å; L26-F30 VanDerWaalsContact O-N 3.15Å |
| 27 | S | 96.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -58.9 | -44.6 | 172.1 | 176.4 | 0 | 0 | 0 | 0 | 111.4 | L23 I24 L25 F29 F30 V31 C193 | L23-S27 WeakPolarHBondContact O-CB 3.3Å; L23-S27 PolarHBondContact O-N 3.23Å; I24-S27 WeakPolarHBondContact O-CB 2.99Å; I24-S27 PolarHBondContact O-N 2.79Å; L25-S27 VanDerWaalsContact C-N 3.33Å; L25-S27 PolarHBondContact O-N 2.85Å; S27-F29 VanDerWaalsContact C-N 3.35Å; S27-F30 PolarHBondContact O-N 3.48Å; S27-V31 WeakPolarHBondContact O-CG2 3.27Å; S27-V31 PolarHBondContact O-N 2.83Å; S27-C193 WeakPolarHBondContact OG-CA 3.44Å; S27-C193 WeakPolarHBondContact OG-CB 3.23Å; S27-C193 PolarHBondContact OG-O 3.49Å |
| 28 | C | 95.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.5 | -40.9 | 178.6 | -159.1 | 0 | 0 | 0 | 0 | 111.6 | I24 L25 L26 F30 V31 F32 T133 L137 A152 | I24-C28 WeakPolarHBondContact O-CB 3.11Å; I24-C28 PolarHBondContact O-N 2.73Å; L25-C28 CarbonylContact O-C 3.54Å; L25-C28 WeakPolarHBondContact O-CA 3.25Å; L25-C28 WeakPolarHBondContact O-CB 3.33Å; L25-C28 PolarHBondContact O-N 3.06Å; L25-C28 VanDerWaalsContact O-N 3.08Å; L26-C28 VanDerWaalsContact C-N 3.32Å; L26-C28 PolarHBondContact O-N 3.4Å; C28-F30 PolarHBondContact O-N 2.81Å; C28-V31 PolarHBondContact O-N 3.34Å; C28-F32 WeakPolarHBondContact O-CD2 3.27Å; C28-F32 PolarHBondContact O-N 3.15Å; C28-F32 VanDerWaalsContact SG-CE2 3.59Å; C28-T133 HydrophobicContact CB-CG2 3.78Å; C28-L137 HydrophobicContact CB-CD1 4.49Å; C28-L137 HydrophobicContact CB-CD2 4.16Å; C28-A152 HydrophobicContact CB-CB 3.86Å |
| 29 | F | 97.5 | Very high | 94.8 | Very high | 36 Ų | 36 | 30.8 Ų | 30.8 | 16% | 0.158 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -53.8 | -51 | 174.5 | 176.8 | -82.4 | 0 | 0 | 0 | 112.4 | L25 L26 S27 F32 G33 L151 A152 A154 G155 I158 L159 | L25-F29 WeakPolarHBondContact O-CB 3.08Å; L25-F29 PolarHBondContact O-N 2.88Å; L26-F29 WeakPolarHBondContact O-CB 3.25Å; L26-F29 PolarHBondContact O-N 3.42Å; S27-F29 VanDerWaalsContact C-N 3.35Å; F29-F32 PolarHBondContact O-N 2.84Å; F29-G33 PolarHBondContact O-N 2.88Å; F29-L151 WeakPolarHBondContact CD2-O 3.17Å; F29-A152 WeakPolarHBondContact CA-O 3.16Å; F29-A154 HydrophobicContact CE2-CB 4.37Å; F29-G155 VanDerWaalsContact CD2-CA 3.41Å; F29-G155 VanDerWaalsContact CE2-N 3.28Å; F29-G155 VanDerWaalsContact CZ-CA 3.46Å; F29-I158 HydrophobicContact CE2-CD1 3.86Å; F29-I158 HydrophobicContact CZ-CB 4.16Å; F29-I158 HydrophobicContact CZ-CD1 3.78Å; F29-I158 HydrophobicContact CZ-CG2 4.33Å; F29-L159 HydrophobicContact CE1-CD1 3.88Å; F29-L159 HydrophobicContact CZ-CD1 4.42Å |
| 30 | F | 98.2 | Very high | 94.9 | Very high | 86 Ų | 86 | 29.3 Ų | 29.3 | 38% | 0.377 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -68.7 | -35.8 | 178.2 | -77.3 | -66.5 | 0 | 0 | 0 | 112.6 | L26 S27 C28 G33 L34 L159 C193 | L26-F30 HydrophobicContact CD1-CD2 4.15Å; L26-F30 HydrophobicContact CD1-CE2 3.66Å; L26-F30 HydrophobicContact CG-CD2 4.17Å; L26-F30 HydrophobicContact CG-CE2 3.95Å; L26-F30 VanDerWaalsContact O-CD2 3.31Å; L26-F30 WeakPolarHBondContact O-CD2 3.38Å; L26-F30 PolarHBondContact O-N 3.01Å; L26-F30 VanDerWaalsContact O-N 3.15Å; S27-F30 PolarHBondContact O-N 3.48Å; C28-F30 PolarHBondContact O-N 2.81Å; F30-G33 PolarHBondContact O-N 2.75Å; F30-L34 VanDerWaalsContact O-CB 3.29Å; F30-L34 WeakPolarHBondContact O-CB 3.32Å; F30-L34 WeakPolarHBondContact O-CG 3.33Å; F30-L34 PolarHBondContact O-N 2.91Å; F30-L159 HydrophobicContact CD1-CD2 4.39Å; F30-C193 VanDerWaalsContact CB-SG 3.58Å |
| 31 | V | 97.7 | Very high | 95.1 | Very high | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.006 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.2 | -44.3 | 173.3 | 170.8 | 0 | 0 | 0 | 0 | 110.8 | S27 C28 G33 T35 W130 T133 L190 C193 | S27-V31 WeakPolarHBondContact O-CG2 3.27Å; S27-V31 PolarHBondContact O-N 2.83Å; C28-V31 PolarHBondContact O-N 3.34Å; V31-G33 PolarHBondContact O-N 3.11Å; V31-T35 HydrophobicContact CG1-CG2 4.22Å; V31-T35 VanDerWaalsContact O-CB 3.29Å; V31-T35 WeakPolarHBondContact O-CB 3.5Å; V31-T35 WeakPolarHBondContact O-CG2 3.11Å; V31-T35 PolarHBondContact O-N 3.22Å; V31-T35 VanDerWaalsContact O-N 3.1Å; V31-T35 PolarHBondContact O-OG1 3.28Å; V31-W130 HydrophobicContact CG1-CB 4.43Å; V31-T133 HydrophobicContact CB-CG2 4.25Å; V31-T133 HydrophobicContact CG2-CG2 4.07Å; V31-L190 HydrophobicContact CB-CD2 4.34Å; V31-L190 HydrophobicContact CG2-CD2 3.91Å; V31-C193 HydrophobicContact CG2-CB 3.75Å |
| 32 | F | 95.4 | Very high | 95.1 | Very high | 24 Ų | 24 | 26 Ų | 26 | 11% | 0.105 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -59.3 | -45.8 | 175 | -93.1 | -82.3 | 0 | 0 | 0 | 112.2 | C28 F29 T35 F36 G37 W130 V134 A152 E156 | C28-F32 WeakPolarHBondContact O-CD2 3.27Å; C28-F32 PolarHBondContact O-N 3.15Å; C28-F32 VanDerWaalsContact SG-CE2 3.59Å; F29-F32 PolarHBondContact O-N 2.84Å; F32-T35 PolarHBondContact O-OG1 2.72Å; F32-F36 HydrophobicContact CD1-CD2 4.16Å; F32-F36 PolarHBondContact O-N 3.06Å; F32-G37 PolarHBondContact O-N 3.21Å; F32-W130 AromaticContact CE1-NE1 3.51Å; F32-W130 AromaticContact CZ-NE1 3.43Å; F32-V134 HydrophobicContact CE2-CG2 3.86Å; F32-V134 HydrophobicContact CZ-CG2 4.03Å; F32-A152 HydrophobicContact CD2-CB 4.18Å; F32-A152 HydrophobicContact CE2-CB 4.25Å; F32-E156 HydrophobicContact CB-CB 4.49Å |
| 33 | G | 96.3 | Very high | 95 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.099 | C | C | . | . | I | π-helix | trans | -70.1 | -43.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | F29 F30 V31 T35 G37 V38 G155 | F29-G33 PolarHBondContact O-N 2.88Å; F30-G33 PolarHBondContact O-N 2.75Å; V31-G33 PolarHBondContact O-N 3.11Å; G33-T35 VanDerWaalsContact C-N 3.26Å; G33-T35 PolarHBondContact O-N 3.08Å; G33-G37 CarbonylContact O-C 3.57Å; G33-G37 WeakPolarHBondContact O-CA 3.12Å; G33-G37 PolarHBondContact O-N 3.22Å; G33-G37 VanDerWaalsContact O-N 3.08Å; G33-V38 PolarHBondContact O-N 3.06Å; G33-G155 VanDerWaalsContact CA-O 3.32Å; G33-G155 WeakPolarHBondContact CA-O 3.38Å |
| 34 | L | 97.5 | Very high | 95 | Very high | 11 Ų | 11 | 17.4 Ų | 17.4 | 6% | 0.058 | 8% | 0.082 | C | C | . | . | I | π-helix | trans | -78.3 | -7.1 | -179.2 | -67.6 | 175 | 0 | 0 | 0 | 113.9 | F30 V38 L159 N189 L190 | F30-L34 VanDerWaalsContact O-CB 3.29Å; F30-L34 WeakPolarHBondContact O-CB 3.32Å; F30-L34 WeakPolarHBondContact O-CG 3.33Å; F30-L34 PolarHBondContact O-N 2.91Å; L34-V38 VanDerWaalsContact O-CG2 3.29Å; L34-V38 WeakPolarHBondContact O-CG2 3.33Å; L34-L159 HydrophobicContact CD2-CD2 3.97Å; L34-L159 HydrophobicContact CG-CD2 3.94Å; L34-N189 HydrophobicContact CD1-CB 3.94Å; L34-L190 HydrophobicContact CB-CD2 3.82Å; L34-L190 HydrophobicContact CB-CG 4.2Å; L34-L190 HydrophobicContact CD1-CD2 4.19Å; L34-L190 HydrophobicContact CD1-CG 4.25Å |
| 35 | T | 95.7 | Very high | 95.1 | Very high | 1 Ų | 1 | 17.5 Ų | 17.5 | 1% | 0.006 | 8% | 0.082 | C | C | . | . | I | π-helix | trans | -103.6 | -78.2 | 172.2 | 59.5 | 0 | 0 | 0 | 0 | 109.9 | V31 F32 G33 G37 V38 I39 Y126 L190 | V31-T35 HydrophobicContact CG1-CG2 4.22Å; V31-T35 VanDerWaalsContact O-CB 3.29Å; V31-T35 WeakPolarHBondContact O-CB 3.5Å; V31-T35 WeakPolarHBondContact O-CG2 3.11Å; V31-T35 PolarHBondContact O-N 3.22Å; V31-T35 VanDerWaalsContact O-N 3.1Å; V31-T35 PolarHBondContact O-OG1 3.28Å; F32-T35 PolarHBondContact O-OG1 2.72Å; G33-T35 VanDerWaalsContact C-N 3.26Å; G33-T35 PolarHBondContact O-N 3.08Å; T35-G37 PolarHBondContact O-N 2.6Å; T35-V38 PolarHBondContact O-N 3.04Å; T35-I39 WeakPolarHBondContact O-CG1 3.41Å; T35-I39 PolarHBondContact O-N 3.42Å; T35-Y126 HydrophobicContact CG2-CD1 3.53Å; T35-Y126 HydrophobicContact CG2-CE1 4.01Å; T35-Y126 HydrophobicContact CG2-CG 4.07Å; T35-L190 HydrophobicContact CG2-CD2 4.44Å |
| 36 | F | 92.8 | Very high | 95.1 | Very high | 44 Ų | 44 | 16.7 Ų | 16.7 | 19% | 0.193 | 8% | 0.078 | C | C | . | . | I | π-helix | trans | -70 | -32.7 | -176 | -71 | -72.7 | 0 | 0 | 0 | 113.4 | F32 V38 I39 K40 W130 E156 | F32-F36 HydrophobicContact CD1-CD2 4.16Å; F32-F36 PolarHBondContact O-N 3.06Å; F36-V38 VanDerWaalsContact C-N 3.33Å; F36-I39 HydrophobicContact CD1-CD1 4.31Å; F36-I39 PolarHBondContact O-N 3.26Å; F36-K40 WeakPolarHBondContact O-CB 3.3Å; F36-K40 PolarHBondContact O-N 3.42Å; F36-W130 AromaticContact CE2-CD1 3.7Å; F36-W130 HydrophobicContact CE2-CD2 4.39Å; F36-W130 HydrophobicContact CE2-CG 4.19Å; F36-W130 AromaticContact CE2-NE1 3.61Å; F36-E156 HydrophobicContact CB-CG 3.73Å |
| 37 | G | 94.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 6% | 0.063 | C | C | . | . | I | π-helix | trans | -65.7 | -37 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | F32 G33 T35 S41 T160 | F32-G37 PolarHBondContact O-N 3.21Å; G33-G37 CarbonylContact O-C 3.57Å; G33-G37 WeakPolarHBondContact O-CA 3.12Å; G33-G37 PolarHBondContact O-N 3.22Å; G33-G37 VanDerWaalsContact O-N 3.08Å; T35-G37 PolarHBondContact O-N 2.6Å; G37-S41 WeakPolarHBondContact O-CB 3.41Å; G37-S41 PolarHBondContact O-N 3.46Å; G37-S41 PolarHBondContact O-OG 3.25Å; G37-T160 VanDerWaalsContact CA-OG1 3.28Å; G37-T160 WeakPolarHBondContact CA-OG1 3.35Å |
| 38 | V | 95.8 | Very high | 94.7 | Very high | 4 Ų | 4 | 16.1 Ų | 16.1 | 2% | 0.024 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -66.3 | -45.1 | 172.3 | 175.4 | 0 | 0 | 0 | 0 | 111.1 | G33 L34 T35 F36 K40 S41 F42 Y126 L163 L183 | G33-V38 PolarHBondContact O-N 3.06Å; L34-V38 VanDerWaalsContact O-CG2 3.29Å; L34-V38 WeakPolarHBondContact O-CG2 3.33Å; T35-V38 PolarHBondContact O-N 3.04Å; F36-V38 VanDerWaalsContact C-N 3.33Å; V38-K40 VanDerWaalsContact C-N 3.34Å; V38-K40 PolarHBondContact O-N 3.22Å; V38-S41 PolarHBondContact O-N 3.49Å; V38-F42 PolarHBondContact O-N 2.92Å; V38-F42 VanDerWaalsContact O-N 3.14Å; V38-Y126 WeakPolarHBondContact CG1-OH 3.46Å; V38-L163 HydrophobicContact CG2-CD1 3.88Å; V38-L183 HydrophobicContact CG1-CD1 4.04Å; V38-L183 HydrophobicContact CG1-CD2 3.79Å; V38-L183 HydrophobicContact CG1-CG 4.48Å; V38-L183 HydrophobicContact CG2-CD1 3.88Å |
| 39 | I | 93.1 | Very high | 94.7 | Very high | 21 Ų | 21 | 16.1 Ų | 16.1 | 11% | 0.108 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -59.1 | -45.8 | 176.7 | -67.6 | 168 | 0 | 0 | 0 | 110.9 | T35 F36 S41 F42 V68 I71 Y126 | T35-I39 WeakPolarHBondContact O-CG1 3.41Å; T35-I39 PolarHBondContact O-N 3.42Å; F36-I39 HydrophobicContact CD1-CD1 4.31Å; F36-I39 PolarHBondContact O-N 3.26Å; I39-S41 VanDerWaalsContact C-N 3.29Å; I39-S41 PolarHBondContact O-N 2.93Å; I39-F42 VanDerWaalsContact O-CB 3.26Å; I39-F42 WeakPolarHBondContact O-CB 3.07Å; I39-F42 PolarHBondContact O-N 3.43Å; I39-V68 HydrophobicContact CD1-CG2 4.33Å; I39-V68 HydrophobicContact CG2-CG2 3.95Å; I39-I71 HydrophobicContact CD1-CD1 3.49Å; I39-I71 VanDerWaalsContact CD1-CD1 3.49Å; I39-Y126 HydrophobicContact CD1-CD2 3.9Å; I39-Y126 HydrophobicContact CD1-CE2 3.77Å; I39-Y126 HydrophobicContact CG1-CD2 4.39Å; I39-Y126 HydrophobicContact CG1-CE2 3.76Å |
| 40 | K | 91.6 | Very high | 94.6 | Very high | 32 Ų | 32 | 15.9 Ų | 15.9 | 14% | 0.139 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -64.8 | -33 | 178.7 | -84 | -175.3 | 161.6 | 175.3 | 0 | 113.2 | F36 V38 F42 E156 T160 S278 D306 | F36-K40 WeakPolarHBondContact O-CB 3.3Å; F36-K40 PolarHBondContact O-N 3.42Å; V38-K40 VanDerWaalsContact C-N 3.34Å; V38-K40 PolarHBondContact O-N 3.22Å; K40-F42 VanDerWaalsContact C-N 3.27Å; K40-E156 HydrophobicContact CD-CG 4.41Å; K40-E156 WeakPolarHBondContact CD-OE1 3.3Å; K40-E156 WeakPolarHBondContact CE-OE1 3.23Å; K40-E156 IonicContact NZ-OE1 2.77Å; K40-E156 PolarHBondContact NZ-OE1 2.79Å; K40-T160 HydrophobicContact CB-CG2 4Å; K40-S278 VanDerWaalsContact O-O 3.12Å; K40-D306 IonicContact NZ-OD2 2.68Å; K40-D306 PolarHBondContact NZ-OD2 3.36Å |
| 41 | S | 94.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -2.7 | 179.2 | -49.8 | 0 | 0 | 0 | 0 | 112.7 | G37 V38 I39 G43 I44 T164 | G37-S41 WeakPolarHBondContact O-CB 3.41Å; G37-S41 PolarHBondContact O-N 3.46Å; G37-S41 PolarHBondContact O-OG 3.25Å; V38-S41 PolarHBondContact O-N 3.49Å; I39-S41 VanDerWaalsContact C-N 3.29Å; I39-S41 PolarHBondContact O-N 2.93Å; S41-G43 PolarHBondContact O-N 3.28Å; S41-I44 WeakPolarHBondContact O-CB 3.45Å; S41-I44 PolarHBondContact O-N 3.4Å; S41-T164 PolarHBondContact OG-OG1 2.84Å |
| 42 | F | 91.3 | Very high | 94.3 | Very high | 9 Ų | 9 | 24 Ų | 24 | 4% | 0.039 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -19.6 | -176.6 | -161.2 | -94.6 | 0 | 0 | 0 | 113.4 | V38 I39 K40 I44 F45 F46 I49 I63 T64 V118 L279 | V38-F42 PolarHBondContact O-N 2.92Å; V38-F42 VanDerWaalsContact O-N 3.14Å; I39-F42 VanDerWaalsContact O-CB 3.26Å; I39-F42 WeakPolarHBondContact O-CB 3.07Å; I39-F42 PolarHBondContact O-N 3.43Å; K40-F42 VanDerWaalsContact C-N 3.27Å; F42-I44 PolarHBondContact O-N 3.17Å; F42-I44 VanDerWaalsContact O-N 3.08Å; F42-F45 HydrophobicContact CD2-CB 4.35Å; F42-F45 HydrophobicContact CD2-CD2 4.14Å; F42-F45 HydrophobicContact CE2-CB 4.16Å; F42-F45 HydrophobicContact CE2-CD2 4.47Å; F42-F45 HydrophobicContact CE2-CG 4.43Å; F42-F45 HydrophobicContact CZ-CB 4.25Å; F42-F45 PolarHBondContact O-N 3.11Å; F42-F46 PolarHBondContact O-N 3.12Å; F42-I49 HydrophobicContact CE1-CD1 4.41Å; F42-I49 HydrophobicContact CZ-CD1 3.89Å; F42-I63 HydrophobicContact CE1-CB 4.33Å; F42-I63 HydrophobicContact CE1-CD1 4.46Å; F42-I63 HydrophobicContact CE1-CG2 4.07Å; F42-I63 HydrophobicContact CZ-CB 4.49Å; F42-I63 HydrophobicContact CZ-CD1 4.44Å; F42-I63 HydrophobicContact CZ-CG2 3.8Å; F42-T64 HydrophobicContact CB-CG2 3.85Å; F42-T64 HydrophobicContact CD1-CG2 3.26Å; F42-T64 HydrophobicContact CE1-CG2 3.94Å; F42-T64 HydrophobicContact CG-CG2 3.64Å; F42-V118 HydrophobicContact CE2-CG1 3.69Å; F42-V118 HydrophobicContact CZ-CG1 4.05Å; F42-L279 HydrophobicContact CD1-CD1 4.32Å |
| 43 | G | 89.9 | Confident | 94.3 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -55.6 | -23.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | S41 F46 | S41-G43 PolarHBondContact O-N 3.28Å; G43-F46 WeakPolarHBondContact O-CB 3.36Å |
| 44 | I | 94.9 | Very high | 94.2 | Very high | 3 Ų | 3 | 33.7 Ų | 33.7 | 2% | 0.015 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -70.5 | -44.8 | 173.9 | -59.9 | -71.6 | 0 | 0 | 0 | 111.4 | S41 F42 F46 T164 F167 Q168 I171 V282 A296 | S41-I44 WeakPolarHBondContact O-CB 3.45Å; S41-I44 PolarHBondContact O-N 3.4Å; F42-I44 PolarHBondContact O-N 3.17Å; F42-I44 VanDerWaalsContact O-N 3.08Å; I44-F46 VanDerWaalsContact C-N 3.29Å; I44-F46 PolarHBondContact O-N 2.9Å; I44-T164 HydrophobicContact CD1-CG2 3.52Å; I44-T164 HydrophobicContact CG1-CG2 3.53Å; I44-F167 HydrophobicContact CB-CB 4.46Å; I44-F167 HydrophobicContact CG2-CB 4.02Å; I44-Q168 HydrophobicContact CG2-CB 4.44Å; I44-I171 HydrophobicContact CG2-CD1 3.68Å; I44-V282 HydrophobicContact CD1-CB 4.45Å; I44-V282 HydrophobicContact CD1-CG1 4Å; I44-V282 HydrophobicContact CD1-CG2 3.71Å; I44-V282 HydrophobicContact CG1-CG2 4.42Å; I44-A296 HydrophobicContact CD1-CB 3.73Å |
| 45 | F | 96.1 | Very high | 94.1 | Very high | 1 Ų | 1 | 34.8 Ų | 34.8 | 0% | 0.004 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -71.4 | -26.9 | 175.7 | -65.2 | -88.8 | 0 | 0 | 0 | 112.6 | F42 V47 E48 I49 F167 I171 W176 A179 L180 | F42-F45 HydrophobicContact CD2-CB 4.35Å; F42-F45 HydrophobicContact CD2-CD2 4.14Å; F42-F45 HydrophobicContact CE2-CB 4.16Å; F42-F45 HydrophobicContact CE2-CD2 4.47Å; F42-F45 HydrophobicContact CE2-CG 4.43Å; F42-F45 HydrophobicContact CZ-CB 4.25Å; F42-F45 PolarHBondContact O-N 3.11Å; F45-V47 PolarHBondContact O-N 3.38Å; F45-E48 PolarHBondContact O-N 2.8Å; F45-I49 HydrophobicContact CB-CD1 3.98Å; F45-I49 WeakPolarHBondContact O-CB 3.49Å; F45-I49 VanDerWaalsContact O-CG1 3.26Å; F45-I49 WeakPolarHBondContact O-CG1 3.38Å; F45-I49 PolarHBondContact O-N 3.5Å; F45-F167 HydrophobicContact CD2-CD2 4.35Å; F45-F167 HydrophobicContact CE2-CB 4.02Å; F45-F167 HydrophobicContact CE2-CD1 4.1Å; F45-F167 AromaticContact CE2-CD2 3.45Å; F45-F167 HydrophobicContact CE2-CD2 3.45Å; F45-F167 VanDerWaalsContact CE2-CD2 3.45Å; F45-F167 HydrophobicContact CE2-CE1 4.42Å; F45-F167 AromaticContact CE2-CE2 3.8Å; F45-F167 HydrophobicContact CE2-CE2 3.8Å; F45-F167 AromaticContact CE2-CG 3.61Å; F45-F167 HydrophobicContact CE2-CG 3.61Å; F45-F167 HydrophobicContact CE2-CZ 4.29Å; F45-F167 HydrophobicContact CZ-CB 4.2Å; F45-F167 AromaticContact CZ-CD1 3.98Å; F45-F167 HydrophobicContact CZ-CD1 3.98Å; F45-F167 HydrophobicContact CZ-CD2 4.17Å; F45-F167 HydrophobicContact CZ-CE1 4.37Å; F45-F167 AromaticContact CZ-CG 3.87Å; F45-F167 HydrophobicContact CZ-CG 3.87Å; F45-I171 HydrophobicContact CD1-CD1 3.98Å; F45-I171 HydrophobicContact CD1-CG1 4.49Å; F45-I171 HydrophobicContact CE1-CD1 4.25Å; F45-I171 HydrophobicContact CE1-CG1 4.39Å; F45-I171 HydrophobicContact CG-CD1 4.35Å; F45-W176 HydrophobicContact CD1-CB 4.32Å; F45-A179 HydrophobicContact CE1-CB 3.59Å; F45-A179 HydrophobicContact CZ-CB 4.05Å; F45-L180 HydrophobicContact CD1-CD2 4.22Å; F45-L180 HydrophobicContact CD1-CG 4.35Å; F45-L180 HydrophobicContact CE1-CD2 3.94Å; F45-L180 HydrophobicContact CE1-CG 4.07Å; F45-L180 HydrophobicContact CZ-CD2 4.33Å |
| 46 | F | 95 | Very high | 94.1 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -55.4 | -48.3 | -175.6 | -174 | -80 | 0 | 0 | 0 | 112.2 | F42 G43 I44 E48 I49 Q50 A57 T60 L279 F280 P283 Y416 | F42-F46 PolarHBondContact O-N 3.12Å; G43-F46 WeakPolarHBondContact O-CB 3.36Å; I44-F46 VanDerWaalsContact C-N 3.29Å; I44-F46 PolarHBondContact O-N 2.9Å; F46-E48 PolarHBondContact O-N 3.16Å; F46-I49 PolarHBondContact O-N 3.4Å; F46-Q50 VanDerWaalsContact CE1-OE1 3.24Å; F46-Q50 VanDerWaalsContact O-CB 3.24Å; F46-Q50 WeakPolarHBondContact O-CB 3.48Å; F46-Q50 PolarHBondContact O-N 3.25Å; F46-A57 HydrophobicContact CE1-CB 4.42Å; F46-A57 HydrophobicContact CZ-CB 4.04Å; F46-T60 HydrophobicContact CD1-CG2 4.31Å; F46-T60 HydrophobicContact CD2-CG2 3.48Å; F46-T60 VanDerWaalsContact CD2-CG2 3.48Å; F46-T60 HydrophobicContact CE1-CG2 4.41Å; F46-T60 HydrophobicContact CE2-CG2 3.61Å; F46-T60 HydrophobicContact CG-CG2 3.87Å; F46-T60 HydrophobicContact CZ-CG2 4.08Å; F46-L279 HydrophobicContact CD2-CD1 3.65Å; F46-L279 HydrophobicContact CD2-CD2 4.35Å; F46-L279 HydrophobicContact CD2-CG 3.84Å; F46-L279 HydrophobicContact CE2-CD1 4.26Å; F46-L279 HydrophobicContact CE2-CD2 4.13Å; F46-L279 HydrophobicContact CE2-CG 4.02Å; F46-L279 HydrophobicContact CG-CD1 4.43Å; F46-F280 HydrophobicContact CE1-CD1 4.47Å; F46-F280 HydrophobicContact CE1-CE1 4.44Å; F46-F280 HydrophobicContact CE2-CD1 4.46Å; F46-F280 AromaticContact CE2-CE1 3.9Å; F46-F280 HydrophobicContact CE2-CE1 3.9Å; F46-F280 HydrophobicContact CZ-CD1 4.14Å; F46-F280 AromaticContact CZ-CE1 3.69Å; F46-F280 HydrophobicContact CZ-CE1 3.69Å; F46-P283 HydrophobicContact CB-CG 4.44Å; F46-P283 HydrophobicContact CD1-CB 4.4Å; F46-P283 HydrophobicContact CD1-CG 3.55Å; F46-P283 HydrophobicContact CE1-CG 4.12Å; F46-P283 HydrophobicContact CG-CG 4.23Å; F46-Y416 HydrophobicContact CE1-CE1 4.3Å |
| 47 | V | 91.9 | Very high | 94.2 | Very high | 15 Ų | 15 | 35.9 Ų | 35.9 | 9% | 0.091 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.4 | -49.1 | -177 | -178.8 | 0 | 0 | 0 | 0 | 110.7 | F45 Q50 Q51 V282 P283 | F45-V47 PolarHBondContact O-N 3.38Å; V47-Q50 PolarHBondContact O-N 3.1Å; V47-Q51 WeakPolarHBondContact O-CG 3.41Å; V47-Q51 PolarHBondContact O-N 3.44Å; V47-V282 HydrophobicContact CG2-CG1 4.13Å; V47-P283 HydrophobicContact CG2-CB 3.97Å; V47-P283 HydrophobicContact CG2-CG 3.66Å |
| 48 | E | 94.4 | Very high | 94.3 | Very high | 51 Ų | 51 | 36.6 Ų | 36.6 | 24% | 0.238 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.6 | -42.5 | -178.5 | -62 | -55.9 | 128.9 | 0 | 0 | 112.7 | F45 F46 Q50 Q51 Y52 I171 W176 | F45-E48 PolarHBondContact O-N 2.8Å; F46-E48 PolarHBondContact O-N 3.16Å; E48-Q50 VanDerWaalsContact C-N 3.35Å; E48-Q51 PolarHBondContact O-N 2.93Å; E48-Y52 WeakPolarHBondContact O-CB 3.46Å; E48-Y52 PolarHBondContact O-N 3.15Å; E48-I171 HydrophobicContact CG-CD1 4.25Å; E48-I171 HydrophobicContact CG-CG2 3.71Å; E48-W176 HydrophobicContact CB-CB 4.18Å |
| 49 | I | 95.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.4 | -42.7 | 178.8 | -70.7 | 171.8 | 0 | 0 | 0 | 110.1 | F42 F45 F46 Y52 F53 T60 I63 L111 L114 W176 | F42-I49 HydrophobicContact CE1-CD1 4.41Å; F42-I49 HydrophobicContact CZ-CD1 3.89Å; F45-I49 HydrophobicContact CB-CD1 3.98Å; F45-I49 WeakPolarHBondContact O-CB 3.49Å; F45-I49 VanDerWaalsContact O-CG1 3.26Å; F45-I49 WeakPolarHBondContact O-CG1 3.38Å; F45-I49 PolarHBondContact O-N 3.5Å; F46-I49 PolarHBondContact O-N 3.4Å; I49-Y52 PolarHBondContact O-N 3.06Å; I49-F53 HydrophobicContact CG2-CD2 3.82Å; I49-F53 HydrophobicContact CG2-CE2 4.19Å; I49-F53 WeakPolarHBondContact O-CD2 3.48Å; I49-F53 PolarHBondContact O-N 3.09Å; I49-T60 HydrophobicContact CB-CG2 4.31Å; I49-T60 HydrophobicContact CG2-CG2 3.96Å; I49-I63 HydrophobicContact CG2-CD1 4.13Å; I49-L111 HydrophobicContact CG2-CD1 4.3Å; I49-L114 HydrophobicContact CD1-CD1 4.32Å; I49-L114 HydrophobicContact CG2-CD1 3.87Å; I49-W176 HydrophobicContact CG1-CD2 4.23Å; I49-W176 HydrophobicContact CG1-CE3 4.22Å |
| 50 | Q | 94.8 | Very high | 94.6 | Very high | 30 Ų | 30 | 35.9 Ų | 35.9 | 14% | 0.14 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.3 | -44.9 | 179.2 | -173.5 | -177.3 | 5.8 | 0 | 0 | 111.6 | F46 V47 E48 E54 T55 T60 Y416 | F46-Q50 VanDerWaalsContact CE1-OE1 3.24Å; F46-Q50 VanDerWaalsContact O-CB 3.24Å; F46-Q50 WeakPolarHBondContact O-CB 3.48Å; F46-Q50 PolarHBondContact O-N 3.25Å; V47-Q50 PolarHBondContact O-N 3.1Å; E48-Q50 VanDerWaalsContact C-N 3.35Å; Q50-E54 WeakPolarHBondContact O-CA 3.46Å; Q50-E54 PolarHBondContact O-N 3.18Å; Q50-E54 VanDerWaalsContact O-N 3.13Å; Q50-T55 HydrophobicContact CG-CG2 4.37Å; Q50-T55 WeakPolarHBondContact CG-O 3.27Å; Q50-T55 PolarHBondContact O-N 3.42Å; Q50-T55 VanDerWaalsContact O-N 3.13Å; Q50-T60 HydrophobicContact CB-CG2 4.41Å; Q50-Y416 PolarHBondContact NE2-OH 2.95Å; Q50-Y416 PolarHBondContact OE1-OH 3.32Å |
| 51 | Q | 93.6 | Very high | 94.8 | Very high | 127 Ų | 127 | 34.3 Ų | 34.3 | 59% | 0.593 | 17% | 0.168 | S | C | * | . | H | α-helix | trans | -66.2 | -46.6 | 177 | -71.9 | 177.9 | -3.7 | 0 | 0 | 111.7 | V47 E48 F53 E54 | V47-Q51 WeakPolarHBondContact O-CG 3.41Å; V47-Q51 PolarHBondContact O-N 3.44Å; E48-Q51 PolarHBondContact O-N 2.93Å; Q51-F53 PolarHBondContact O-N 3.11Å; Q51-E54 PolarHBondContact O-N 3.2Å |
| 52 | Y | 95.3 | Very high | 94.9 | Very high | 131 Ų | 131 | 38.4 Ų | 38.4 | 51% | 0.514 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -62 | -42 | -177.7 | 177.7 | -88 | 0 | 0 | 0 | 113.3 | E48 I49 E54 W176 | E48-Y52 WeakPolarHBondContact O-CB 3.46Å; E48-Y52 PolarHBondContact O-N 3.15Å; I49-Y52 PolarHBondContact O-N 3.06Å; Y52-E54 VanDerWaalsContact C-N 3.34Å; Y52-W176 AromaticContact CD1-CZ2 3.79Å; Y52-W176 HydrophobicContact CD1-CZ2 3.79Å; Y52-W176 AromaticContact CD2-NE1 3.69Å; Y52-W176 AromaticContact CE1-CZ2 3.92Å; Y52-W176 HydrophobicContact CE1-CZ2 3.92Å; Y52-W176 HydrophobicContact CG-CZ2 4.2Å; Y52-W176 AromaticContact CG-NE1 3.58Å |
| 53 | F | 95.9 | Very high | 95.2 | Very high | 42 Ų | 42 | 38 Ų | 38 | 18% | 0.184 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 2.1 | 179.3 | -72.1 | -70.2 | 0 | 0 | 0 | 113.5 | I49 Q51 T55 R109 L114 W176 | I49-F53 HydrophobicContact CG2-CD2 3.82Å; I49-F53 HydrophobicContact CG2-CE2 4.19Å; I49-F53 WeakPolarHBondContact O-CD2 3.48Å; I49-F53 PolarHBondContact O-N 3.09Å; Q51-F53 PolarHBondContact O-N 3.11Å; F53-T55 HydrophobicContact CB-CG2 4Å; F53-T55 PolarHBondContact O-N 3.1Å; F53-T55 VanDerWaalsContact O-N 3.16Å; F53-R109 WeakPolarHBondContact CE1-O 3.47Å; F53-L114 HydrophobicContact CD2-CD1 4.32Å; F53-L114 HydrophobicContact CE2-CD1 3.56Å; F53-L114 HydrophobicContact CZ-CD1 4.22Å; F53-W176 AromaticContact CE2-CH2 3.93Å; F53-W176 HydrophobicContact CE2-CH2 3.93Å; F53-W176 AromaticContact CE2-CZ2 3.88Å; F53-W176 HydrophobicContact CE2-CZ2 3.88Å; F53-W176 HydrophobicContact CZ-CH2 4.1Å; F53-W176 HydrophobicContact CZ-CZ2 4.13Å |
| 54 | E | 94.6 | Very high | 95.4 | Very high | 185 Ų | 185 | 38.5 Ų | 38.5 | 86% | 0.864 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 46.5 | 44.1 | -176.1 | -61.5 | -177.8 | 174.3 | 0 | 0 | 112.2 | Q50 Q51 Y52 | Q50-E54 WeakPolarHBondContact O-CA 3.46Å; Q50-E54 PolarHBondContact O-N 3.18Å; Q50-E54 VanDerWaalsContact O-N 3.13Å; Q51-E54 PolarHBondContact O-N 3.2Å; Y52-E54 VanDerWaalsContact C-N 3.34Å |
| 55 | T | 95.2 | Very high | 95.4 | Very high | 34 Ų | 34 | 38.3 Ų | 38.3 | 21% | 0.209 | 18% | 0.184 | C | C | . | . | trans | -107.9 | 167.4 | -172.4 | -177.2 | 0 | 0 | 0 | 0 | 111.4 | Q50 F53 T60 L111 | Q50-T55 HydrophobicContact CG-CG2 4.37Å; Q50-T55 WeakPolarHBondContact CG-O 3.27Å; Q50-T55 PolarHBondContact O-N 3.42Å; Q50-T55 VanDerWaalsContact O-N 3.13Å; F53-T55 HydrophobicContact CB-CG2 4Å; F53-T55 PolarHBondContact O-N 3.1Å; F53-T55 VanDerWaalsContact O-N 3.16Å; T55-T60 WeakPolarHBondContact CG2-OG1 3.46Å; T55-L111 HydrophobicContact CG2-CD2 4.15Å | ||
| 56 | T | 96.3 | Very high | 95.5 | Very high | 69 Ų | 69 | 40 Ų | 40 | 42% | 0.423 | 19% | 0.192 | S | C | . | . | trans | -74.6 | 159.5 | 175.4 | 68.1 | 0 | 0 | 0 | 0 | 112.4 | A58 G59 T60 D411 | T56-A58 VanDerWaalsContact C-N 3.28Å; T56-A58 PolarHBondContact O-N 3.07Å; T56-G59 PolarHBondContact O-N 3.11Å; T56-G59 PolarHBondContact OG1-N 3.17Å; T56-T60 PolarHBondContact O-N 3.07Å; T56-T60 PolarHBondContact O-OG1 3.3Å; T56-D411 VanDerWaalsContact CB-OD2 3.25Å; T56-D411 WeakPolarHBondContact CB-OD2 2.98Å | ||
| 57 | A | 95.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62 | -39.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | F46 G59 T60 S61 I410 D411 Y416 | F46-A57 HydrophobicContact CE1-CB 4.42Å; F46-A57 HydrophobicContact CZ-CB 4.04Å; A57-G59 PolarHBondContact O-N 3.45Å; A57-T60 PolarHBondContact O-N 3.49Å; A57-S61 VanDerWaalsContact O-CB 3.25Å; A57-S61 WeakPolarHBondContact O-CB 3.38Å; A57-S61 PolarHBondContact O-N 2.99Å; A57-S61 PolarHBondContact O-OG 3.32Å; A57-I410 HydrophobicContact CB-CB 4.35Å; A57-I410 HydrophobicContact CB-CG2 4.03Å; A57-D411 VanDerWaalsContact CB-OD1 3.28Å; A57-D411 WeakPolarHBondContact CB-OD1 3.42Å; A57-D411 PolarHBondContact N-OD1 3.15Å; A57-D411 PolarHBondContact N-OD2 3.07Å; A57-Y416 HydrophobicContact CB-CE1 4.44Å |
| 58 | A | 96.6 | Very high | 95.5 | Very high | 15 Ų | 15 | 39.8 Ų | 39.8 | 12% | 0.124 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -56.7 | -49.2 | 172 | 0 | 0 | 0 | 0 | 0 | 111.4 | T56 S61 W62 F408 D411 | T56-A58 VanDerWaalsContact C-N 3.28Å; T56-A58 PolarHBondContact O-N 3.07Å; A58-S61 PolarHBondContact O-N 3.39Å; A58-S61 PolarHBondContact O-OG 3.05Å; A58-W62 PolarHBondContact O-N 3.24Å; A58-F408 HydrophobicContact CB-CB 4.43Å; A58-D411 WeakPolarHBondContact CB-OD2 3.17Å; A58-D411 PolarHBondContact N-OD2 3.46Å |
| 59 | G | 96.7 | Very high | 95.4 | Very high | 9 Ų | 9 | 37.5 Ų | 37.5 | 9% | 0.093 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -55.5 | -55.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | T56 A57 S61 W62 Y115 | T56-G59 PolarHBondContact O-N 3.11Å; T56-G59 PolarHBondContact OG1-N 3.17Å; A57-G59 PolarHBondContact O-N 3.45Å; G59-S61 VanDerWaalsContact C-N 3.29Å; G59-S61 PolarHBondContact O-N 2.93Å; G59-W62 WeakPolarHBondContact O-CB 3.3Å; G59-W62 PolarHBondContact O-N 2.8Å; G59-Y115 WeakPolarHBondContact O-CE1 3.19Å; G59-Y115 PolarHBondContact O-OH 3.04Å |
| 60 | T | 97 | Very high | 95.3 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.6 | -37.5 | -177.9 | -50.6 | 0 | 0 | 0 | 0 | 112.5 | F46 I49 Q50 T55 T56 A57 W62 I63 | F46-T60 HydrophobicContact CD1-CG2 4.31Å; F46-T60 HydrophobicContact CD2-CG2 3.48Å; F46-T60 VanDerWaalsContact CD2-CG2 3.48Å; F46-T60 HydrophobicContact CE1-CG2 4.41Å; F46-T60 HydrophobicContact CE2-CG2 3.61Å; F46-T60 HydrophobicContact CG-CG2 3.87Å; F46-T60 HydrophobicContact CZ-CG2 4.08Å; I49-T60 HydrophobicContact CB-CG2 4.31Å; I49-T60 HydrophobicContact CG2-CG2 3.96Å; Q50-T60 HydrophobicContact CB-CG2 4.41Å; T55-T60 WeakPolarHBondContact CG2-OG1 3.46Å; T56-T60 PolarHBondContact O-N 3.07Å; T56-T60 PolarHBondContact O-OG1 3.3Å; A57-T60 PolarHBondContact O-N 3.49Å; T60-W62 VanDerWaalsContact C-N 3.26Å; T60-W62 PolarHBondContact O-N 3.46Å; T60-I63 HydrophobicContact CG2-CD1 4.45Å; T60-I63 WeakPolarHBondContact O-CB 3.28Å; T60-I63 WeakPolarHBondContact O-CG1 3.4Å; T60-I63 PolarHBondContact O-N 3.11Å |
| 61 | S | 96.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66.6 | -23 | -177 | 75.2 | 0 | 0 | 0 | 0 | 114.5 | A57 A58 G59 I63 T64 S65 P403 P404 | A57-S61 VanDerWaalsContact O-CB 3.25Å; A57-S61 WeakPolarHBondContact O-CB 3.38Å; A57-S61 PolarHBondContact O-N 2.99Å; A57-S61 PolarHBondContact O-OG 3.32Å; A58-S61 PolarHBondContact O-N 3.39Å; A58-S61 PolarHBondContact O-OG 3.05Å; G59-S61 VanDerWaalsContact C-N 3.29Å; G59-S61 PolarHBondContact O-N 2.93Å; S61-I63 PolarHBondContact O-N 2.82Å; S61-T64 PolarHBondContact O-N 3.16Å; S61-T64 PolarHBondContact O-OG1 3.32Å; S61-S65 PolarHBondContact O-N 3.46Å; S61-S65 VanDerWaalsContact O-N 3.13Å; S61-P403 VanDerWaalsContact OG-C 3.23Å; S61-P403 PolarHBondContact OG-O 3.47Å; S61-P404 WeakPolarHBondContact OG-CA 3.34Å |
| 62 | W | 97.1 | Very high | 94.8 | Very high | 85 Ų | 85 | 32.3 Ų | 32.3 | 32% | 0.322 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -59 | -29 | 175.8 | -82.5 | 107.5 | 0 | 0 | 0 | 112.5 | A58 G59 T60 S65 I66 Y115 L400 L401 P404 | A58-W62 PolarHBondContact O-N 3.24Å; G59-W62 WeakPolarHBondContact O-CB 3.3Å; G59-W62 PolarHBondContact O-N 2.8Å; T60-W62 VanDerWaalsContact C-N 3.26Å; T60-W62 PolarHBondContact O-N 3.46Å; W62-S65 PolarHBondContact O-N 3.36Å; W62-I66 HydrophobicContact CB-CD1 4.32Å; W62-I66 HydrophobicContact CE3-CD1 4.43Å; W62-I66 HydrophobicContact CE3-CG1 4.2Å; W62-I66 WeakPolarHBondContact O-CB 3.31Å; W62-I66 WeakPolarHBondContact O-CD1 3.39Å; W62-I66 WeakPolarHBondContact O-CG1 3.45Å; W62-I66 PolarHBondContact O-N 3.08Å; W62-Y115 HydrophobicContact CB-CD1 4.05Å; W62-Y115 HydrophobicContact CB-CE1 3.46Å; W62-Y115 VanDerWaalsContact CB-CE1 3.46Å; W62-Y115 HydrophobicContact CB-CE2 4.48Å; W62-L400 HydrophobicContact CE3-CD1 4.45Å; W62-L400 HydrophobicContact CZ3-CD1 3.94Å; W62-L400 HydrophobicContact CZ3-CG 4.22Å; W62-L401 HydrophobicContact CH2-CD2 4.39Å; W62-P404 HydrophobicContact CD2-CB 4.01Å; W62-P404 HydrophobicContact CD2-CG 3.45Å; W62-P404 VanDerWaalsContact CD2-CG 3.45Å; W62-P404 VanDerWaalsContact CE2-CB 3.49Å; W62-P404 VanDerWaalsContact CE2-CG 3.49Å; W62-P404 HydrophobicContact CE3-CG 3.76Å; W62-P404 HydrophobicContact CG-CB 4.4Å; W62-P404 HydrophobicContact CG-CG 3.9Å; W62-P404 HydrophobicContact CH2-CB 4.34Å; W62-P404 HydrophobicContact CH2-CG 4.1Å; W62-P404 HydrophobicContact CZ2-CB 3.69Å; W62-P404 HydrophobicContact CZ2-CG 3.83Å; W62-P404 HydrophobicContact CZ3-CG 4.07Å |
| 63 | I | 96.9 | Very high | 94.5 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -57 | -55.6 | 178.2 | -59.1 | 168.2 | 0 | 0 | 0 | 110.1 | F42 I49 T60 S61 A67 L111 L114 Y115 V118 G119 | F42-I63 HydrophobicContact CE1-CB 4.33Å; F42-I63 HydrophobicContact CE1-CD1 4.46Å; F42-I63 HydrophobicContact CE1-CG2 4.07Å; F42-I63 HydrophobicContact CZ-CB 4.49Å; F42-I63 HydrophobicContact CZ-CD1 4.44Å; F42-I63 HydrophobicContact CZ-CG2 3.8Å; I49-I63 HydrophobicContact CG2-CD1 4.13Å; T60-I63 HydrophobicContact CG2-CD1 4.45Å; T60-I63 WeakPolarHBondContact O-CB 3.28Å; T60-I63 WeakPolarHBondContact O-CG1 3.4Å; T60-I63 PolarHBondContact O-N 3.11Å; S61-I63 PolarHBondContact O-N 2.82Å; I63-A67 PolarHBondContact O-N 3.48Å; I63-A67 VanDerWaalsContact O-N 3.17Å; I63-L111 HydrophobicContact CD1-CD1 3.98Å; I63-L111 HydrophobicContact CG1-CD1 4.49Å; I63-L114 HydrophobicContact CD1-CB 3.93Å; I63-L114 HydrophobicContact CD1-CD1 4Å; I63-L114 HydrophobicContact CG1-CB 4.17Å; I63-Y115 HydrophobicContact CG1-CD1 3.7Å; I63-Y115 HydrophobicContact CG1-CE1 3.85Å; I63-V118 HydrophobicContact CG2-CB 3.87Å; I63-V118 HydrophobicContact CG2-CG1 3.7Å; I63-G119 WeakPolarHBondContact O-CA 3.43Å |
| 64 | T | 93.6 | Very high | 94.2 | Very high | 10 Ų | 10 | 29 Ų | 29 | 6% | 0.061 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -70.5 | -35.6 | -179.3 | 44.1 | 0 | 0 | 0 | 0 | 112.6 | F42 S61 A67 V68 L279 | F42-T64 HydrophobicContact CB-CG2 3.85Å; F42-T64 HydrophobicContact CD1-CG2 3.26Å; F42-T64 HydrophobicContact CE1-CG2 3.94Å; F42-T64 HydrophobicContact CG-CG2 3.64Å; S61-T64 PolarHBondContact O-N 3.16Å; S61-T64 PolarHBondContact O-OG1 3.32Å; T64-A67 PolarHBondContact O-N 3.15Å; T64-V68 WeakPolarHBondContact O-CG2 3.3Å; T64-V68 PolarHBondContact O-N 3.19Å; T64-L279 HydrophobicContact CG2-CD1 3.83Å; T64-L279 WeakPolarHBondContact OG1-CD2 3.43Å |
| 65 | S | 95.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.9 | -47.2 | 176.3 | -84.6 | 0 | 0 | 0 | 0 | 113.1 | S61 W62 A67 V68 A69 G399 L400 P403 P404 | S61-S65 PolarHBondContact O-N 3.46Å; S61-S65 VanDerWaalsContact O-N 3.13Å; W62-S65 PolarHBondContact O-N 3.36Å; S65-A67 VanDerWaalsContact C-N 3.31Å; S65-A67 PolarHBondContact O-N 2.9Å; S65-V68 PolarHBondContact O-N 3.41Å; S65-A69 VanDerWaalsContact O-CB 3.26Å; S65-A69 WeakPolarHBondContact O-CB 3.37Å; S65-A69 PolarHBondContact O-N 3.37Å; S65-G399 PolarHBondContact OG-O 3.41Å; S65-L400 WeakPolarHBondContact CB-O 3.41Å; S65-L400 PolarHBondContact OG-O 2.8Å; S65-P403 WeakPolarHBondContact OG-CB 3.4Å; S65-P403 WeakPolarHBondContact OG-CD 3.42Å; S65-P403 WeakPolarHBondContact OG-CG 3.11Å; S65-P404 WeakPolarHBondContact OG-CD 3.49Å |
| 66 | I | 96.8 | Very high | 93.2 | Very high | 35 Ų | 35 | 22.9 Ų | 22.9 | 18% | 0.179 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.1 | -42.6 | 177.7 | -67.3 | 165.6 | 0 | 0 | 0 | 109.3 | W62 T70 Y115 F120 L400 | W62-I66 HydrophobicContact CB-CD1 4.32Å; W62-I66 HydrophobicContact CE3-CD1 4.43Å; W62-I66 HydrophobicContact CE3-CG1 4.2Å; W62-I66 WeakPolarHBondContact O-CB 3.31Å; W62-I66 WeakPolarHBondContact O-CD1 3.39Å; W62-I66 WeakPolarHBondContact O-CG1 3.45Å; W62-I66 PolarHBondContact O-N 3.08Å; I66-T70 VanDerWaalsContact O-CB 3.24Å; I66-T70 WeakPolarHBondContact O-CB 3.49Å; I66-T70 PolarHBondContact O-N 3.45Å; I66-T70 PolarHBondContact O-OG1 3.44Å; I66-Y115 HydrophobicContact CD1-CD1 4.26Å; I66-Y115 HydrophobicContact CD1-CG 3.97Å; I66-F120 HydrophobicContact CG2-CB 3.92Å; I66-L400 HydrophobicContact CG1-CD1 4.45Å |
| 67 | A | 95.4 | Very high | 92.7 | Very high | 4 Ų | 4 | 22.9 Ų | 22.9 | 3% | 0.033 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -58.4 | -51.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | I63 T64 S65 T70 I71 G119 | I63-A67 PolarHBondContact O-N 3.48Å; I63-A67 VanDerWaalsContact O-N 3.17Å; T64-A67 PolarHBondContact O-N 3.15Å; S65-A67 VanDerWaalsContact C-N 3.31Å; S65-A67 PolarHBondContact O-N 2.9Å; A67-T70 PolarHBondContact O-N 3.29Å; A67-I71 WeakPolarHBondContact O-CG1 3.46Å; A67-I71 PolarHBondContact O-N 2.89Å; A67-G119 WeakPolarHBondContact CA-O 3.47Å; A67-G119 WeakPolarHBondContact CB-O 3.31Å |
| 68 | V | 91.3 | Very high | 92.2 | Very high | 8 Ų | 8 | 22.9 Ų | 22.9 | 5% | 0.048 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -65.5 | -43.7 | -178.4 | 174.8 | 0 | 0 | 0 | 0 | 111.3 | I39 T64 S65 T70 I71 H72 F275 | I39-V68 HydrophobicContact CD1-CG2 4.33Å; I39-V68 HydrophobicContact CG2-CG2 3.95Å; T64-V68 WeakPolarHBondContact O-CG2 3.3Å; T64-V68 PolarHBondContact O-N 3.19Å; S65-V68 PolarHBondContact O-N 3.41Å; V68-T70 VanDerWaalsContact C-N 3.32Å; V68-T70 PolarHBondContact O-N 3.12Å; V68-I71 WeakPolarHBondContact O-CB 3.26Å; V68-I71 PolarHBondContact O-N 3.35Å; V68-H72 PolarHBondContact O-N 3.23Å; V68-H72 PolarHBondContact O-ND1 2.97Å; V68-F275 HydrophobicContact CB-CE1 4.25Å; V68-F275 HydrophobicContact CG1-CE1 3.84Å; V68-F275 HydrophobicContact CG1-CZ 3.82Å; V68-F275 HydrophobicContact CG2-CE1 3.92Å |
| 69 | A | 92.6 | Very high | 91.3 | Very high | 3 Ų | 3 | 25.1 Ų | 25.1 | 3% | 0.025 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.3 | -43.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | S65 I71 H72 I73 L400 | S65-A69 VanDerWaalsContact O-CB 3.26Å; S65-A69 WeakPolarHBondContact O-CB 3.37Å; S65-A69 PolarHBondContact O-N 3.37Å; A69-I71 VanDerWaalsContact C-N 3.33Å; A69-I71 PolarHBondContact O-N 3.02Å; A69-H72 PolarHBondContact O-N 2.96Å; A69-I73 HydrophobicContact CB-CD1 4.49Å; A69-I73 WeakPolarHBondContact O-CB 3.49Å; A69-I73 WeakPolarHBondContact O-CG1 3.42Å; A69-I73 PolarHBondContact O-N 2.88Å; A69-L400 HydrophobicContact CB-CB 3.83Å; A69-L400 HydrophobicContact CB-CD1 3.66Å; A69-L400 HydrophobicContact CB-CD2 4.49Å; A69-L400 HydrophobicContact CB-CG 4.19Å |
| 70 | T | 94.6 | Very high | 90.3 | Very high | 14 Ų | 14 | 27.7 Ų | 27.7 | 9% | 0.086 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.3 | -38.6 | 179.4 | -54.4 | 0 | 0 | 0 | 0 | 111.5 | I66 A67 V68 H72 I73 A74 F120 F124 | I66-T70 VanDerWaalsContact O-CB 3.24Å; I66-T70 WeakPolarHBondContact O-CB 3.49Å; I66-T70 PolarHBondContact O-N 3.45Å; I66-T70 PolarHBondContact O-OG1 3.44Å; A67-T70 PolarHBondContact O-N 3.29Å; V68-T70 VanDerWaalsContact C-N 3.32Å; V68-T70 PolarHBondContact O-N 3.12Å; T70-H72 VanDerWaalsContact C-N 3.3Å; T70-H72 PolarHBondContact O-N 2.89Å; T70-I73 PolarHBondContact O-N 2.97Å; T70-A74 WeakPolarHBondContact O-CB 3.37Å; T70-A74 PolarHBondContact O-N 3.15Å; T70-F120 HydrophobicContact CG2-CD2 3.86Å; T70-F120 HydrophobicContact CG2-CE2 4.03Å; T70-F124 HydrophobicContact CG2-CB 3.9Å |
| 71 | I | 91.4 | Very high | 89.5 | Confident | 3 Ų | 3 | 30.2 Ų | 30.2 | 2% | 0.015 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -52.9 | -49.8 | 174.6 | -71.7 | 161.6 | 0 | 0 | 0 | 111.1 | I39 A67 V68 A69 A75 G123 Y126 A127 | I39-I71 HydrophobicContact CD1-CD1 3.49Å; I39-I71 VanDerWaalsContact CD1-CD1 3.49Å; A67-I71 WeakPolarHBondContact O-CG1 3.46Å; A67-I71 PolarHBondContact O-N 2.89Å; V68-I71 WeakPolarHBondContact O-CB 3.26Å; V68-I71 PolarHBondContact O-N 3.35Å; A69-I71 VanDerWaalsContact C-N 3.33Å; A69-I71 PolarHBondContact O-N 3.02Å; I71-A75 PolarHBondContact O-N 3.37Å; I71-G123 WeakPolarHBondContact CG1-O 3.41Å; I71-Y126 HydrophobicContact CD1-CD2 3.73Å; I71-Y126 HydrophobicContact CD1-CG 4.29Å; I71-Y126 HydrophobicContact CG1-CD2 4.19Å; I71-Y126 HydrophobicContact CG1-CG 4.43Å; I71-A127 WeakPolarHBondContact O-CB 3.36Å |
| 72 | H | 86.7 | Confident | 88.6 | Confident | 30 Ų | 30 | 30.5 Ų | 30.5 | 14% | 0.139 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -75.5 | -42.9 | -173.9 | -64.1 | 87.7 | 0 | 0 | 0 | 111.9 | V68 A69 T70 A74 A75 | V68-H72 PolarHBondContact O-N 3.23Å; V68-H72 PolarHBondContact O-ND1 2.97Å; A69-H72 PolarHBondContact O-N 2.96Å; T70-H72 VanDerWaalsContact C-N 3.3Å; T70-H72 PolarHBondContact O-N 2.89Å; H72-A74 VanDerWaalsContact C-N 3.33Å; H72-A74 PolarHBondContact O-N 2.94Å; H72-A75 WeakPolarHBondContact O-CB 3.4Å; H72-A75 PolarHBondContact O-N 3.21Å |
| 73 | I | 88.3 | Confident | 87.6 | Confident | 98 Ų | 98 | 30.7 Ų | 30.7 | 50% | 0.503 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -67.1 | -35.7 | 179.8 | -66 | 169 | 0 | 0 | 0 | 111.1 | A69 T70 P76 | A69-I73 HydrophobicContact CB-CD1 4.49Å; A69-I73 WeakPolarHBondContact O-CB 3.49Å; A69-I73 WeakPolarHBondContact O-CG1 3.42Å; A69-I73 PolarHBondContact O-N 2.88Å; T70-I73 PolarHBondContact O-N 2.97Å; I73-P76 WeakPolarHBondContact O-CD 3.41Å |
| 74 | A | 89.8 | Confident | 86.8 | Confident | 7 Ų | 7 | 40.2 Ų | 40.2 | 6% | 0.058 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -85.2 | -6.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114 | T70 H72 V77 S78 F124 A127 | T70-A74 WeakPolarHBondContact O-CB 3.37Å; T70-A74 PolarHBondContact O-N 3.15Å; H72-A74 VanDerWaalsContact C-N 3.33Å; H72-A74 PolarHBondContact O-N 2.94Å; A74-V77 WeakPolarHBondContact O-CB 3.34Å; A74-V77 PolarHBondContact O-N 2.65Å; A74-V77 VanDerWaalsContact O-N 3.1Å; A74-S78 PolarHBondContact O-N 3.28Å; A74-F124 HydrophobicContact CB-CD2 3.6Å; A74-F124 HydrophobicContact CB-CE2 3.93Å; A74-A127 HydrophobicContact CB-CB 3.64Å |
| 75 | A | 84.8 | Confident | 86.4 | Confident | 20 Ų | 20 | 46.1 Ų | 46.1 | 17% | 0.165 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.3 | -42.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | I71 H72 V77 S78 S79 | I71-A75 PolarHBondContact O-N 3.37Å; H72-A75 WeakPolarHBondContact O-CB 3.4Å; H72-A75 PolarHBondContact O-N 3.21Å; A75-V77 VanDerWaalsContact C-N 3.31Å; A75-V77 PolarHBondContact O-N 3.46Å; A75-S78 WeakPolarHBondContact O-CB 3.32Å; A75-S78 PolarHBondContact O-N 2.96Å; A75-S79 PolarHBondContact O-N 3.33Å |
| 76 | P | 82.9 | Confident | 86.1 | Confident | 69 Ų | 69 | 48 Ų | 48 | 45% | 0.448 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.6 | -37 | 173.9 | -22.8 | 34.9 | 0 | 0 | 0 | 112.8 | I73 S79 A80 | I73-P76 WeakPolarHBondContact O-CD 3.41Å; P76-S79 PolarHBondContact O-N 2.89Å; P76-A80 WeakPolarHBondContact O-CB 3.45Å; P76-A80 PolarHBondContact O-N 3.03Å |
| 77 | V | 86.4 | Confident | 85.6 | Confident | 70 Ų | 70 | 48.2 Ų | 48.2 | 42% | 0.424 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -64.4 | -45.7 | 176.4 | -179 | 0 | 0 | 0 | 0 | 110.1 | A74 A75 S79 A80 L81 | A74-V77 WeakPolarHBondContact O-CB 3.34Å; A74-V77 PolarHBondContact O-N 2.65Å; A74-V77 VanDerWaalsContact O-N 3.1Å; A75-V77 VanDerWaalsContact C-N 3.31Å; A75-V77 PolarHBondContact O-N 3.46Å; V77-S79 VanDerWaalsContact C-N 3.33Å; V77-S79 PolarHBondContact O-N 3.5Å; V77-A80 PolarHBondContact O-N 3.47Å; V77-L81 HydrophobicContact CG1-CD1 4Å; V77-L81 HydrophobicContact CG1-CG 4.37Å; V77-L81 WeakPolarHBondContact O-CB 3.35Å; V77-L81 WeakPolarHBondContact O-CG 3.44Å; V77-L81 PolarHBondContact O-N 3.06Å |
| 78 | S | 85.5 | Confident | 85.5 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -57.3 | -44.2 | 175.4 | -175.3 | 0 | 0 | 0 | 0 | 112.4 | A74 A75 S82 A127 L128 P132 | A74-S78 PolarHBondContact O-N 3.28Å; A75-S78 WeakPolarHBondContact O-CB 3.32Å; A75-S78 PolarHBondContact O-N 2.96Å; S78-S82 WeakPolarHBondContact O-CB 3.2Å; S78-S82 PolarHBondContact O-N 2.97Å; S78-S82 PolarHBondContact O-OG 3.05Å; S78-A127 VanDerWaalsContact CB-O 3.27Å; S78-A127 WeakPolarHBondContact CB-O 3.4Å; S78-A127 PolarHBondContact OG-O 3.29Å; S78-L128 WeakPolarHBondContact OG-CA 3.4Å; S78-P132 WeakPolarHBondContact OG-CD 3.5Å |
| 79 | S | 77.9 | Confident | 85.7 | Confident | 61 Ų | 61 | 55.6 Ų | 55.6 | 43% | 0.427 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.4 | -47.6 | 175.5 | -173.3 | 0 | 0 | 0 | 0 | 112.1 | A75 P76 V77 L81 S82 A83 | A75-S79 PolarHBondContact O-N 3.33Å; P76-S79 PolarHBondContact O-N 2.89Å; V77-S79 VanDerWaalsContact C-N 3.33Å; V77-S79 PolarHBondContact O-N 3.5Å; S79-L81 PolarHBondContact O-N 3.37Å; S79-S82 WeakPolarHBondContact O-CB 3.49Å; S79-S82 PolarHBondContact O-N 2.96Å; S79-A83 PolarHBondContact O-N 3.28Å |
| 80 | A | 74.5 | Confident | 85.8 | Confident | 63 Ų | 63 | 55.7 Ų | 55.7 | 52% | 0.521 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.3 | -41.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | P76 V77 S82 A83 R84 | P76-A80 WeakPolarHBondContact O-CB 3.45Å; P76-A80 PolarHBondContact O-N 3.03Å; V77-A80 PolarHBondContact O-N 3.47Å; A80-S82 VanDerWaalsContact C-N 3.31Å; A80-S82 PolarHBondContact O-N 3.28Å; A80-A83 PolarHBondContact O-N 3.42Å; A80-R84 PolarHBondContact O-N 3.32Å |
| 81 | L | 79.8 | Confident | 85.9 | Confident | 54 Ų | 54 | 55 Ų | 55 | 28% | 0.283 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.4 | -39.2 | 174.9 | -72.4 | 172.8 | 0 | 0 | 0 | 111.4 | V77 S79 R84 F85 V90 L128 | V77-L81 HydrophobicContact CG1-CD1 4Å; V77-L81 HydrophobicContact CG1-CG 4.37Å; V77-L81 WeakPolarHBondContact O-CB 3.35Å; V77-L81 WeakPolarHBondContact O-CG 3.44Å; V77-L81 PolarHBondContact O-N 3.06Å; S79-L81 PolarHBondContact O-N 3.37Å; L81-R84 PolarHBondContact O-N 2.87Å; L81-F85 HydrophobicContact CD2-CD2 4.15Å; L81-F85 HydrophobicContact CD2-CE2 3.84Å; L81-F85 WeakPolarHBondContact O-CD2 3.27Å; L81-F85 PolarHBondContact O-N 3.45Å; L81-V90 HydrophobicContact CB-CG1 4.47Å; L81-V90 HydrophobicContact CB-CG2 3.93Å; L81-L128 HydrophobicContact CD1-CD2 3.84Å |
| 82 | S | 77.9 | Confident | 86.2 | Confident | 6 Ų | 6 | 57 Ų | 57 | 4% | 0.042 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -66.6 | -38 | 178.8 | -61.6 | 0 | 0 | 0 | 0 | 112.4 | S78 S79 A80 H87 P132 | S78-S82 WeakPolarHBondContact O-CB 3.2Å; S78-S82 PolarHBondContact O-N 2.97Å; S78-S82 PolarHBondContact O-OG 3.05Å; S79-S82 WeakPolarHBondContact O-CB 3.49Å; S79-S82 PolarHBondContact O-N 2.96Å; A80-S82 VanDerWaalsContact C-N 3.31Å; A80-S82 PolarHBondContact O-N 3.28Å; S82-H87 WeakPolarHBondContact CB-ND1 3.16Å; S82-P132 WeakPolarHBondContact OG-CB 3.38Å |
| 83 | A | 76.5 | Confident | 86.8 | Confident | 89 Ų | 89 | 57.9 Ų | 57.9 | 74% | 0.736 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -69 | -35.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | S79 A80 | S79-A83 PolarHBondContact O-N 3.28Å; A80-A83 PolarHBondContact O-N 3.42Å |
| 84 | R | 80.9 | Confident | 87.2 | Confident | 201 Ų | 201 | 53.2 Ų | 53.2 | 76% | 0.758 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -79.5 | -38.8 | -178.7 | -174.4 | 177.8 | 178.8 | -176.5 | -1.5 | 113.4 | A80 L81 | A80-R84 PolarHBondContact O-N 3.32Å; L81-R84 PolarHBondContact O-N 2.87Å |
| 85 | F | 84 | Confident | 87.6 | Confident | 133 Ų | 133 | 52.9 Ų | 52.9 | 58% | 0.583 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -107 | -90.5 | -175.1 | -62.8 | -71.6 | 0 | 0 | 0 | 110.8 | L81 | L81-F85 HydrophobicContact CD2-CD2 4.15Å; L81-F85 HydrophobicContact CD2-CE2 3.84Å; L81-F85 WeakPolarHBondContact O-CD2 3.27Å; L81-F85 PolarHBondContact O-N 3.45Å |
| 86 | S | 89.3 | Confident | 88.3 | Confident | 40 Ų | 40 | 56.4 Ų | 56.4 | 28% | 0.28 | 32% | 0.316 | S | S | . | . | trans | -169 | 140.6 | 177 | 179.3 | 0 | 0 | 0 | 0 | 108.8 | R88 A89 V90 | S86-R88 PolarHBondContact O-N 2.83Å; S86-R88 VanDerWaalsContact O-N 3.17Å; S86-R88 PolarHBondContact OG-N 3.43Å; S86-A89 PolarHBondContact O-N 3.19Å; S86-A89 VanDerWaalsContact O-N 3.15Å; S86-V90 WeakPolarHBondContact O-CG2 3.45Å; S86-V90 PolarHBondContact O-N 2.98Å; S86-V90 VanDerWaalsContact O-N 3.11Å | ||
| 87 | H | 87.1 | Confident | 89 | Confident | 40 Ų | 40 | 55.6 Ų | 55.6 | 19% | 0.185 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -50 | -41.1 | 172.9 | -62.9 | -73.5 | 0 | 0 | 0 | 112.4 | S82 V90 V91 P132 M136 | S82-H87 WeakPolarHBondContact CB-ND1 3.16Å; H87-V90 PolarHBondContact O-N 2.9Å; H87-V91 VanDerWaalsContact O-CG2 3.31Å; H87-V91 WeakPolarHBondContact O-CG2 3.48Å; H87-V91 PolarHBondContact O-N 2.73Å; H87-V91 VanDerWaalsContact O-N 3.07Å; H87-P132 HydrophobicContact CB-CB 4.03Å; H87-M136 HydrophobicContact CB-CG 3.76Å; H87-M136 HydrophobicContact CB-SD 4.07Å; H87-M136 PolarHBondContact CD2-SD 3.42Å |
| 88 | R | 94.1 | Very high | 89.6 | Confident | 116 Ų | 116 | 52.3 Ų | 52.3 | 44% | 0.438 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.2 | -49.2 | 179.1 | 169 | 165.5 | 179.4 | -165 | 4.5 | 112.6 | S86 V90 V91 I92 G194 L197 | S86-R88 PolarHBondContact O-N 2.83Å; S86-R88 VanDerWaalsContact O-N 3.17Å; S86-R88 PolarHBondContact OG-N 3.43Å; R88-V90 VanDerWaalsContact C-N 3.31Å; R88-V90 PolarHBondContact O-N 2.76Å; R88-V91 PolarHBondContact O-N 3Å; R88-I92 HydrophobicContact CG-CD1 3.79Å; R88-I92 VanDerWaalsContact O-CG1 3.3Å; R88-I92 WeakPolarHBondContact O-CG1 3.42Å; R88-I92 PolarHBondContact O-N 3.49Å; R88-I92 VanDerWaalsContact O-N 3.07Å; R88-G194 VanDerWaalsContact CG-O 3.3Å; R88-G194 WeakPolarHBondContact CG-O 3.18Å; R88-L197 HydrophobicContact CB-CB 4.41Å |
| 89 | A | 94.6 | Very high | 90.2 | Very high | 51 Ų | 51 | 52.9 Ų | 52.9 | 42% | 0.421 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64 | -40.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | S86 I92 S93 | S86-A89 PolarHBondContact O-N 3.19Å; S86-A89 VanDerWaalsContact O-N 3.15Å; A89-I92 PolarHBondContact O-N 2.9Å; A89-S93 PolarHBondContact O-N 3.14Å; A89-S93 PolarHBondContact O-OG 3.47Å |
| 90 | V | 94.8 | Very high | 91.2 | Very high | 5 Ų | 5 | 51.9 Ų | 51.9 | 3% | 0.03 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.4 | -46.5 | 179.2 | 180 | 0 | 0 | 0 | 0 | 111.2 | L81 S86 H87 R88 I92 S93 G94 L128 P132 | L81-V90 HydrophobicContact CB-CG1 4.47Å; L81-V90 HydrophobicContact CB-CG2 3.93Å; S86-V90 WeakPolarHBondContact O-CG2 3.45Å; S86-V90 PolarHBondContact O-N 2.98Å; S86-V90 VanDerWaalsContact O-N 3.11Å; H87-V90 PolarHBondContact O-N 2.9Å; R88-V90 VanDerWaalsContact C-N 3.31Å; R88-V90 PolarHBondContact O-N 2.76Å; V90-I92 PolarHBondContact O-N 3.25Å; V90-S93 WeakPolarHBondContact CA-OG 3.24Å; V90-S93 PolarHBondContact O-N 3.25Å; V90-S93 PolarHBondContact O-OG 3.38Å; V90-G94 PolarHBondContact O-N 3.39Å; V90-L128 HydrophobicContact CG1-CB 4.08Å; V90-L128 HydrophobicContact CG1-CD2 3.94Å; V90-L128 HydrophobicContact CG1-CG 4.48Å; V90-P132 HydrophobicContact CG1-CG 4.2Å |
| 91 | V | 97.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.7 | -40.8 | 177.8 | 177 | 0 | 0 | 0 | 0 | 112.1 | H87 R88 G94 G95 T129 P132 T133 L197 | H87-V91 VanDerWaalsContact O-CG2 3.31Å; H87-V91 WeakPolarHBondContact O-CG2 3.48Å; H87-V91 PolarHBondContact O-N 2.73Å; H87-V91 VanDerWaalsContact O-N 3.07Å; R88-V91 PolarHBondContact O-N 3Å; V91-G94 PolarHBondContact O-N 3.49Å; V91-G95 PolarHBondContact O-N 3.42Å; V91-T129 HydrophobicContact CG1-CG2 4.16Å; V91-T129 WeakPolarHBondContact O-CG2 3.01Å; V91-P132 HydrophobicContact CG2-CB 3.86Å; V91-P132 HydrophobicContact CG2-CG 3.43Å; V91-P132 VanDerWaalsContact CG2-CG 3.43Å; V91-T133 WeakPolarHBondContact CG2-OG1 3.1Å; V91-L197 HydrophobicContact CB-CD1 4.1Å; V91-L197 HydrophobicContact CG1-CD1 4.42Å; V91-L197 HydrophobicContact CG2-CD1 3.58Å |
| 92 | I | 98.1 | Very high | 93.1 | Very high | 44 Ų | 44 | 46.4 Ų | 46.4 | 23% | 0.226 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.6 | -46.3 | 176.2 | -67.2 | 167.4 | 0 | 0 | 0 | 110.5 | R88 A89 V90 G94 G95 L96 C191 M195 | R88-I92 HydrophobicContact CG-CD1 3.79Å; R88-I92 VanDerWaalsContact O-CG1 3.3Å; R88-I92 WeakPolarHBondContact O-CG1 3.42Å; R88-I92 PolarHBondContact O-N 3.49Å; R88-I92 VanDerWaalsContact O-N 3.07Å; A89-I92 PolarHBondContact O-N 2.9Å; V90-I92 PolarHBondContact O-N 3.25Å; I92-G94 VanDerWaalsContact C-N 3.32Å; I92-G94 PolarHBondContact O-N 2.96Å; I92-G95 PolarHBondContact O-N 3.46Å; I92-L96 HydrophobicContact CG2-CD1 4.37Å; I92-L96 WeakPolarHBondContact O-CG 3.5Å; I92-L96 PolarHBondContact O-N 3.07Å; I92-C191 HydrophobicContact CG2-CB 4.45Å; I92-M195 HydrophobicContact CD1-CG 3.87Å; I92-M195 HydrophobicContact CG1-CG 4.41Å |
| 93 | S | 97.9 | Very high | 94.1 | Very high | 48 Ų | 48 | 48.4 Ų | 48.4 | 34% | 0.336 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62 | -40 | 177 | 66.7 | 0 | 0 | 0 | 0 | 112.4 | A89 V90 L96 I97 | A89-S93 PolarHBondContact O-N 3.14Å; A89-S93 PolarHBondContact O-OG 3.47Å; V90-S93 WeakPolarHBondContact CA-OG 3.24Å; V90-S93 PolarHBondContact O-N 3.25Å; V90-S93 PolarHBondContact O-OG 3.38Å; S93-L96 PolarHBondContact O-N 3.28Å; S93-I97 WeakPolarHBondContact O-CD1 3.48Å; S93-I97 VanDerWaalsContact O-CG1 3.24Å; S93-I97 WeakPolarHBondContact O-CG1 3.45Å; S93-I97 PolarHBondContact O-N 3.49Å |
| 94 | G | 97.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.6 | -43.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | V90 V91 I92 I97 C98 | V90-G94 PolarHBondContact O-N 3.39Å; V91-G94 PolarHBondContact O-N 3.49Å; I92-G94 VanDerWaalsContact C-N 3.32Å; I92-G94 PolarHBondContact O-N 2.96Å; G94-I97 PolarHBondContact O-N 3.24Å; G94-C98 PolarHBondContact O-N 3.49Å; G94-C98 PolarHBondContact O-SG 3.06Å; G94-C98 VanDerWaalsContact O-SG 3.34Å |
| 95 | G | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.7 | -40.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | V91 I92 C98 S99 | V91-G95 PolarHBondContact O-N 3.42Å; I92-G95 PolarHBondContact O-N 3.46Å; G95-C98 PolarHBondContact O-N 3.37Å; G95-S99 PolarHBondContact O-N 3.08Å |
| 96 | L | 98.5 | Very high | 96.5 | Very high | 95 Ų | 95 | 34.1 Ų | 34.1 | 50% | 0.497 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -63.9 | -41.9 | 173.4 | -69.3 | 174.4 | 0 | 0 | 0 | 111.6 | I92 S93 A100 L188 | I92-L96 HydrophobicContact CG2-CD1 4.37Å; I92-L96 WeakPolarHBondContact O-CG 3.5Å; I92-L96 PolarHBondContact O-N 3.07Å; S93-L96 PolarHBondContact O-N 3.28Å; L96-A100 VanDerWaalsContact O-CB 3.31Å; L96-A100 WeakPolarHBondContact O-CB 3.33Å; L96-A100 PolarHBondContact O-N 3.38Å; L96-L188 HydrophobicContact CD2-CD2 4.09Å |
| 97 | I | 98.4 | Very high | 96.9 | Very high | 52 Ų | 52 | 37.1 Ų | 37.1 | 27% | 0.267 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -62.9 | -46.1 | 176.1 | -70.2 | 164.5 | 0 | 0 | 0 | 110.8 | S93 G94 A100 A101 L121 F124 L128 | S93-I97 WeakPolarHBondContact O-CD1 3.48Å; S93-I97 VanDerWaalsContact O-CG1 3.24Å; S93-I97 WeakPolarHBondContact O-CG1 3.45Å; S93-I97 PolarHBondContact O-N 3.49Å; G94-I97 PolarHBondContact O-N 3.24Å; I97-A100 PolarHBondContact O-N 2.89Å; I97-A101 WeakPolarHBondContact O-CB 3.4Å; I97-A101 PolarHBondContact O-N 3.17Å; I97-L121 WeakPolarHBondContact CG2-O 3.36Å; I97-F124 HydrophobicContact CD1-CD1 4.39Å; I97-F124 HydrophobicContact CD1-CE1 4.42Å; I97-L128 HydrophobicContact CD1-CD1 3.96Å |
| 98 | C | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -56.5 | -53.2 | 176.3 | -73.4 | 0 | 0 | 0 | 0 | 111.4 | G94 G95 A100 A101 V102 G125 Y126 Q187 L190 | G94-C98 PolarHBondContact O-N 3.49Å; G94-C98 PolarHBondContact O-SG 3.06Å; G94-C98 VanDerWaalsContact O-SG 3.34Å; G95-C98 PolarHBondContact O-N 3.37Å; C98-A100 PolarHBondContact O-N 3.32Å; C98-A101 WeakPolarHBondContact O-CB 3.36Å; C98-A101 PolarHBondContact O-N 3.49Å; C98-V102 WeakPolarHBondContact O-CG2 3.47Å; C98-V102 PolarHBondContact O-N 2.91Å; C98-G125 VanDerWaalsContact SG-CA 3.52Å; C98-Y126 WeakPolarHBondContact SG-CD1 3.45Å; C98-Y126 PolarHBondContact SG-N 3.12Å; C98-Y126 VanDerWaalsContact SG-N 3.42Å; C98-Q187 HydrophobicContact CB-CB 4.36Å; C98-Q187 PolarHBondContact O-OE1 3.27Å; C98-Q187 VanDerWaalsContact O-OE1 3.08Å; C98-L190 HydrophobicContact CB-CD1 4.08Å |
| 99 | S | 98.3 | Very high | 97.4 | Very high | 12 Ų | 12 | 39.8 Ų | 39.8 | 8% | 0.084 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.8 | -49.4 | 179.9 | -179.8 | 0 | 0 | 0 | 0 | 112.2 | G95 A101 V102 V103 G184 L188 | G95-S99 PolarHBondContact O-N 3.08Å; S99-A101 VanDerWaalsContact C-N 3.3Å; S99-A101 PolarHBondContact O-N 3.35Å; S99-V102 WeakPolarHBondContact O-CG2 3.39Å; S99-V102 PolarHBondContact O-N 3.03Å; S99-V103 WeakPolarHBondContact O-CB 3.44Å; S99-V103 VanDerWaalsContact O-CG2 3.25Å; S99-V103 WeakPolarHBondContact O-CG2 3.39Å; S99-V103 PolarHBondContact O-N 2.97Å; S99-G184 WeakPolarHBondContact CB-O 3.47Å; S99-G184 PolarHBondContact OG-O 2.95Å; S99-L188 VanDerWaalsContact CB-CD2 3.47Å; S99-L188 WeakPolarHBondContact OG-CD2 3.5Å; S99-L188 VanDerWaalsContact OG-CG 3.25Å; S99-L188 WeakPolarHBondContact OG-CG 3.13Å |
| 100 | A | 98.4 | Very high | 97.4 | Very high | 40 Ų | 40 | 39.2 Ų | 39.2 | 33% | 0.331 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -61 | -40.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L96 I97 C98 V103 F104 | L96-A100 VanDerWaalsContact O-CB 3.31Å; L96-A100 WeakPolarHBondContact O-CB 3.33Å; L96-A100 PolarHBondContact O-N 3.38Å; I97-A100 PolarHBondContact O-N 2.89Å; C98-A100 PolarHBondContact O-N 3.32Å; A100-V103 PolarHBondContact O-N 3.34Å; A100-F104 HydrophobicContact CB-CD2 4.37Å; A100-F104 HydrophobicContact CB-CE2 4.14Å; A100-F104 WeakPolarHBondContact O-CB 3.48Å; A100-F104 WeakPolarHBondContact O-CD2 3.41Å; A100-F104 WeakPolarHBondContact O-CG 3.48Å; A100-F104 PolarHBondContact O-N 2.91Å |
| 101 | A | 98.3 | Very high | 97.4 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.008 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.6 | -49.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | I97 C98 S99 F104 G105 T117 L121 N122 | I97-A101 WeakPolarHBondContact O-CB 3.4Å; I97-A101 PolarHBondContact O-N 3.17Å; C98-A101 WeakPolarHBondContact O-CB 3.36Å; C98-A101 PolarHBondContact O-N 3.49Å; S99-A101 VanDerWaalsContact C-N 3.3Å; S99-A101 PolarHBondContact O-N 3.35Å; A101-F104 PolarHBondContact O-N 2.92Å; A101-G105 PolarHBondContact O-N 3.24Å; A101-T117 WeakPolarHBondContact O-CB 3.48Å; A101-L121 HydrophobicContact CB-CB 3.7Å; A101-N122 HydrophobicContact CB-CB 3.9Å |
| 102 | V | 97.4 | Very high | 97.4 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.006 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -72.4 | -31.6 | 179.4 | -61.7 | 0 | 0 | 0 | 0 | 112.8 | C98 S99 G105 A106 L183 Q187 | C98-V102 WeakPolarHBondContact O-CG2 3.47Å; C98-V102 PolarHBondContact O-N 2.91Å; S99-V102 WeakPolarHBondContact O-CG2 3.39Å; S99-V102 PolarHBondContact O-N 3.03Å; V102-G105 CarbonylContact O-C 3.57Å; V102-G105 WeakPolarHBondContact O-CA 3.33Å; V102-G105 PolarHBondContact O-N 3.45Å; V102-A106 PolarHBondContact O-N 3.14Å; V102-L183 HydrophobicContact CG1-CD2 4.45Å; V102-Q187 VanDerWaalsContact CG2-OE1 3.29Å |
| 103 | V | 98.1 | Very high | 97.4 | Very high | 48 Ų | 48 | 45.8 Ų | 45.8 | 29% | 0.291 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -64.5 | -45.4 | 173 | 167.9 | 0 | 0 | 0 | 0 | 111.2 | S99 A100 G105 A106 L181 | S99-V103 WeakPolarHBondContact O-CB 3.44Å; S99-V103 VanDerWaalsContact O-CG2 3.25Å; S99-V103 WeakPolarHBondContact O-CG2 3.39Å; S99-V103 PolarHBondContact O-N 2.97Å; A100-V103 PolarHBondContact O-N 3.34Å; V103-G105 VanDerWaalsContact C-N 3.28Å; V103-G105 PolarHBondContact O-N 2.96Å; V103-A106 WeakPolarHBondContact O-CB 3.47Å; V103-A106 PolarHBondContact O-N 3.15Å; V103-L181 HydrophobicContact CB-CD2 4.38Å; V103-L181 HydrophobicContact CG1-CD2 3.94Å; V103-L181 HydrophobicContact CG2-CD2 4.31Å |
| 104 | F | 97.8 | Very high | 97.3 | Very high | 121 Ų | 121 | 43.6 Ų | 43.6 | 53% | 0.531 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -66 | -33.7 | 172.6 | -68.3 | -47.2 | 0 | 0 | 0 | 111.8 | A100 A101 A106 L107 A108 T117 | A100-F104 HydrophobicContact CB-CD2 4.37Å; A100-F104 HydrophobicContact CB-CE2 4.14Å; A100-F104 WeakPolarHBondContact O-CB 3.48Å; A100-F104 WeakPolarHBondContact O-CD2 3.41Å; A100-F104 WeakPolarHBondContact O-CG 3.48Å; A100-F104 PolarHBondContact O-N 2.91Å; A101-F104 PolarHBondContact O-N 2.92Å; F104-A106 VanDerWaalsContact C-N 3.29Å; F104-A106 PolarHBondContact O-N 2.82Å; F104-L107 CarbonylContact O-C 3.59Å; F104-L107 WeakPolarHBondContact O-CA 3.27Å; F104-L107 WeakPolarHBondContact O-CB 3.4Å; F104-L107 PolarHBondContact O-N 3.2Å; F104-A108 PolarHBondContact O-N 3.18Å; F104-T117 HydrophobicContact CB-CG2 3.83Å |
| 105 | G | 97.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.1 | -37.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | A101 V102 V103 L107 A108 L114 T117 | A101-G105 PolarHBondContact O-N 3.24Å; V102-G105 CarbonylContact O-C 3.57Å; V102-G105 WeakPolarHBondContact O-CA 3.33Å; V102-G105 PolarHBondContact O-N 3.45Å; V103-G105 VanDerWaalsContact C-N 3.28Å; V103-G105 PolarHBondContact O-N 2.96Å; G105-L107 PolarHBondContact O-N 2.83Å; G105-A108 WeakPolarHBondContact O-CB 3.35Å; G105-A108 PolarHBondContact O-N 3.35Å; G105-L114 WeakPolarHBondContact O-CD2 3.44Å; G105-T117 WeakPolarHBondContact CA-OG1 3.46Å |
| 106 | A | 97.4 | Very high | 97.4 | Very high | 2 Ų | 2 | 50.2 Ų | 50.2 | 2% | 0.017 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.7 | -20.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | V102 V103 F104 R177 L180 L181 | V102-A106 PolarHBondContact O-N 3.14Å; V103-A106 WeakPolarHBondContact O-CB 3.47Å; V103-A106 PolarHBondContact O-N 3.15Å; F104-A106 VanDerWaalsContact C-N 3.29Å; F104-A106 PolarHBondContact O-N 2.82Å; A106-R177 VanDerWaalsContact CB-O 3.29Å; A106-R177 WeakPolarHBondContact CB-O 3.45Å; A106-R177 PolarHBondContact O-NE 3.48Å; A106-R177 PolarHBondContact O-NH2 3.38Å; A106-L180 HydrophobicContact CB-CB 3.82Å; A106-L181 HydrophobicContact CB-CD2 3.76Å; A106-L181 HydrophobicContact CB-CG 3.64Å |
| 107 | L | 96.4 | Very high | 97.4 | Very high | 104 Ų | 104 | 46.4 Ų | 46.4 | 55% | 0.545 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -2.1 | 175.8 | -57.6 | 179.5 | 0 | 0 | 0 | 112.7 | F104 G105 R109 R177 | F104-L107 CarbonylContact O-C 3.59Å; F104-L107 WeakPolarHBondContact O-CA 3.27Å; F104-L107 WeakPolarHBondContact O-CB 3.4Å; F104-L107 PolarHBondContact O-N 3.2Å; G105-L107 PolarHBondContact O-N 2.83Å; L107-R109 PolarHBondContact O-N 3.35Å; L107-R177 PolarHBondContact O-NH2 2.99Å |
| 108 | A | 96.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | -61.7 | 131.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | F104 G105 E113 L114 R177 | F104-A108 PolarHBondContact O-N 3.18Å; G105-A108 WeakPolarHBondContact O-CB 3.35Å; G105-A108 PolarHBondContact O-N 3.35Å; A108-E113 VanDerWaalsContact CA-OE2 3.23Å; A108-E113 WeakPolarHBondContact CA-OE2 3.37Å; A108-E113 HydrophobicContact CB-CB 3.75Å; A108-L114 HydrophobicContact CB-CD2 3.63Å; A108-L114 HydrophobicContact CB-CG 3.7Å; A108-R177 VanDerWaalsContact O-CZ 3.27Å; A108-R177 PolarHBondContact O-NH1 3.35Å; A108-R177 PolarHBondContact O-NH2 2.99Å | ||
| 109 | R | 95 | Very high | 97.3 | Very high | 212 Ų | 212 | 44.3 Ų | 44.3 | 80% | 0.8 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -106 | -5.3 | 176.9 | -61.2 | -176.4 | -176.8 | 128 | -1.1 | 113.3 | F53 L107 E113 | F53-R109 WeakPolarHBondContact CE1-O 3.47Å; L107-R109 PolarHBondContact O-N 3.35Å; R109-E113 PolarHBondContact N-OE2 3.2Å |
| 110 | S | 95.6 | Very high | 97.3 | Very high | 39 Ų | 39 | 48.6 Ų | 48.6 | 27% | 0.273 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -143 | 157.7 | 179.5 | 64 | 0 | 0 | 0 | 0 | 110.6 | T112 E113 L114 | S110-T112 PolarHBondContact O-N 2.85Å; S110-E113 WeakPolarHBondContact O-CB 3.33Å; S110-E113 PolarHBondContact O-N 3.46Å; S110-E113 WeakPolarHBondContact OG-CG 3.33Å; S110-E113 PolarHBondContact OG-N 2.61Å; S110-E113 PolarHBondContact OG-OE1 3.05Å; S110-L114 PolarHBondContact O-N 2.76Å |
| 111 | L | 95.1 | Very high | 97.3 | Very high | 24 Ų | 24 | 49.6 Ų | 49.6 | 13% | 0.126 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65 | -31.7 | 176.8 | -164.5 | 64.2 | 0 | 0 | 0 | 111.9 | I49 T55 I63 E113 L114 Y115 | I49-L111 HydrophobicContact CG2-CD1 4.3Å; T55-L111 HydrophobicContact CG2-CD2 4.15Å; I63-L111 HydrophobicContact CD1-CD1 3.98Å; I63-L111 HydrophobicContact CG1-CD1 4.49Å; L111-E113 VanDerWaalsContact C-N 3.35Å; L111-E113 PolarHBondContact O-N 3.1Å; L111-L114 HydrophobicContact CD1-CD1 4.37Å; L111-L114 WeakPolarHBondContact O-CB 3.25Å; L111-L114 PolarHBondContact O-N 2.95Å; L111-L114 VanDerWaalsContact O-N 3.13Å; L111-Y115 HydrophobicContact CD1-CE1 4.22Å; L111-Y115 HydrophobicContact CD2-CE1 4.1Å; L111-Y115 WeakPolarHBondContact CD2-OH 3.14Å; L111-Y115 HydrophobicContact CG-CD1 4.45Å; L111-Y115 HydrophobicContact CG-CE1 3.65Å; L111-Y115 HydrophobicContact CG-CE2 4.38Å; L111-Y115 WeakPolarHBondContact O-CD1 3.29Å; L111-Y115 PolarHBondContact O-N 3.46Å |
| 112 | T | 96.6 | Very high | 97.2 | Very high | 87 Ų | 87 | 49.9 Ų | 49.9 | 53% | 0.534 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62.6 | -39.7 | 174.4 | -51.1 | 0 | 0 | 0 | 0 | 112.3 | S110 L114 Y115 I116 | S110-T112 PolarHBondContact O-N 2.85Å; T112-L114 VanDerWaalsContact C-N 3.28Å; T112-L114 PolarHBondContact O-N 2.94Å; T112-Y115 WeakPolarHBondContact O-CB 3.36Å; T112-Y115 PolarHBondContact O-N 3.46Å; T112-I116 HydrophobicContact CG2-CD1 4.32Å; T112-I116 WeakPolarHBondContact O-CG1 3.29Å; T112-I116 PolarHBondContact O-N 3.44Å; T112-I116 VanDerWaalsContact O-N 3.09Å |
| 113 | E | 97.6 | Very high | 97.3 | Very high | 76 Ų | 76 | 49.8 Ų | 49.8 | 36% | 0.355 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.8 | -38.3 | 173.6 | -75.8 | 161.8 | -125.4 | 0 | 0 | 111.3 | A108 R109 S110 L111 I116 T117 | A108-E113 VanDerWaalsContact CA-OE2 3.23Å; A108-E113 WeakPolarHBondContact CA-OE2 3.37Å; A108-E113 HydrophobicContact CB-CB 3.75Å; R109-E113 PolarHBondContact N-OE2 3.2Å; S110-E113 WeakPolarHBondContact O-CB 3.33Å; S110-E113 PolarHBondContact O-N 3.46Å; S110-E113 WeakPolarHBondContact OG-CG 3.33Å; S110-E113 PolarHBondContact OG-N 2.61Å; S110-E113 PolarHBondContact OG-OE1 3.05Å; L111-E113 VanDerWaalsContact C-N 3.35Å; L111-E113 PolarHBondContact O-N 3.1Å; E113-I116 PolarHBondContact O-N 3.44Å; E113-T117 WeakPolarHBondContact O-CB 3.3Å; E113-T117 WeakPolarHBondContact O-CG2 3.41Å; E113-T117 PolarHBondContact O-N 3.26Å; E113-T117 PolarHBondContact O-OG1 2.99Å |
| 114 | L | 97.7 | Very high | 97.2 | Very high | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.7 | -36.7 | 174.4 | -71 | 177.2 | 0 | 0 | 0 | 113 | I49 F53 I63 G105 A108 S110 L111 T112 I116 T117 V118 G119 W176 | I49-L114 HydrophobicContact CD1-CD1 4.32Å; I49-L114 HydrophobicContact CG2-CD1 3.87Å; F53-L114 HydrophobicContact CD2-CD1 4.32Å; F53-L114 HydrophobicContact CE2-CD1 3.56Å; F53-L114 HydrophobicContact CZ-CD1 4.22Å; I63-L114 HydrophobicContact CD1-CB 3.93Å; I63-L114 HydrophobicContact CD1-CD1 4Å; I63-L114 HydrophobicContact CG1-CB 4.17Å; G105-L114 WeakPolarHBondContact O-CD2 3.44Å; A108-L114 HydrophobicContact CB-CD2 3.63Å; A108-L114 HydrophobicContact CB-CG 3.7Å; S110-L114 PolarHBondContact O-N 2.76Å; L111-L114 HydrophobicContact CD1-CD1 4.37Å; L111-L114 WeakPolarHBondContact O-CB 3.25Å; L111-L114 PolarHBondContact O-N 2.95Å; L111-L114 VanDerWaalsContact O-N 3.13Å; T112-L114 VanDerWaalsContact C-N 3.28Å; T112-L114 PolarHBondContact O-N 2.94Å; L114-I116 VanDerWaalsContact C-N 3.31Å; L114-I116 PolarHBondContact O-N 2.88Å; L114-T117 WeakPolarHBondContact CA-OG1 3.31Å; L114-V118 HydrophobicContact CD2-CG2 3.84Å; L114-V118 PolarHBondContact O-N 3.41Å; L114-G119 PolarHBondContact O-N 3.34Å; L114-W176 HydrophobicContact CD1-CH2 4.5Å; L114-W176 HydrophobicContact CD2-CZ3 4.33Å |
| 115 | Y | 98.2 | Very high | 97.3 | Very high | 49 Ų | 49 | 44.4 Ų | 44.4 | 19% | 0.192 | 21% | 0.214 | C | C | . | . | I | π-helix | trans | -60.9 | -40.7 | 173.3 | -62.3 | -19.7 | 0 | 0 | 0 | 112.2 | G59 W62 I63 I66 L111 T112 G119 F120 | G59-Y115 WeakPolarHBondContact O-CE1 3.19Å; G59-Y115 PolarHBondContact O-OH 3.04Å; W62-Y115 HydrophobicContact CB-CD1 4.05Å; W62-Y115 HydrophobicContact CB-CE1 3.46Å; W62-Y115 VanDerWaalsContact CB-CE1 3.46Å; W62-Y115 HydrophobicContact CB-CE2 4.48Å; I63-Y115 HydrophobicContact CG1-CD1 3.7Å; I63-Y115 HydrophobicContact CG1-CE1 3.85Å; I66-Y115 HydrophobicContact CD1-CD1 4.26Å; I66-Y115 HydrophobicContact CD1-CG 3.97Å; L111-Y115 HydrophobicContact CD1-CE1 4.22Å; L111-Y115 HydrophobicContact CD2-CE1 4.1Å; L111-Y115 WeakPolarHBondContact CD2-OH 3.14Å; L111-Y115 HydrophobicContact CG-CD1 4.45Å; L111-Y115 HydrophobicContact CG-CE1 3.65Å; L111-Y115 HydrophobicContact CG-CE2 4.38Å; L111-Y115 WeakPolarHBondContact O-CD1 3.29Å; L111-Y115 PolarHBondContact O-N 3.46Å; T112-Y115 WeakPolarHBondContact O-CB 3.36Å; T112-Y115 PolarHBondContact O-N 3.46Å; Y115-G119 CarbonylContact O-C 3.52Å; Y115-G119 VanDerWaalsContact O-CA 3.25Å; Y115-G119 WeakPolarHBondContact O-CA 3.4Å; Y115-F120 PolarHBondContact O-N 3.02Å |
| 116 | I | 98.4 | Very high | 97.3 | Very high | 91 Ų | 91 | 44.5 Ų | 44.5 | 47% | 0.467 | 21% | 0.214 | S | C | . | . | I | π-helix | trans | -74.1 | -45.3 | -179.8 | -65.4 | 168.6 | 0 | 0 | 0 | 110.5 | T112 E113 L114 L121 | T112-I116 HydrophobicContact CG2-CD1 4.32Å; T112-I116 WeakPolarHBondContact O-CG1 3.29Å; T112-I116 PolarHBondContact O-N 3.44Å; T112-I116 VanDerWaalsContact O-N 3.09Å; E113-I116 PolarHBondContact O-N 3.44Å; L114-I116 VanDerWaalsContact C-N 3.31Å; L114-I116 PolarHBondContact O-N 2.88Å; I116-L121 HydrophobicContact CG2-CD1 4.41Å; I116-L121 WeakPolarHBondContact O-CB 3.44Å; I116-L121 WeakPolarHBondContact O-CG 3.23Å; I116-L121 PolarHBondContact O-N 2.99Å |
| 117 | T | 98.1 | Very high | 97.2 | Very high | 15 Ų | 15 | 44.4 Ų | 44.4 | 9% | 0.092 | 21% | 0.214 | C | C | . | . | I | π-helix | trans | -80.5 | -75.9 | -173.9 | 55.8 | 0 | 0 | 0 | 0 | 111.8 | A101 F104 G105 E113 L114 G119 L121 N122 | A101-T117 WeakPolarHBondContact O-CB 3.48Å; F104-T117 HydrophobicContact CB-CG2 3.83Å; G105-T117 WeakPolarHBondContact CA-OG1 3.46Å; E113-T117 WeakPolarHBondContact O-CB 3.3Å; E113-T117 WeakPolarHBondContact O-CG2 3.41Å; E113-T117 PolarHBondContact O-N 3.26Å; E113-T117 PolarHBondContact O-OG1 2.99Å; L114-T117 WeakPolarHBondContact CA-OG1 3.31Å; T117-G119 VanDerWaalsContact C-N 3.29Å; T117-G119 PolarHBondContact O-N 3.1Å; T117-L121 PolarHBondContact O-N 3.42Å; T117-N122 PolarHBondContact O-N 3.22Å |
| 118 | V | 97.4 | Very high | 97.1 | Very high | 7 Ų | 7 | 39.7 Ų | 39.7 | 4% | 0.042 | 19% | 0.189 | C | C | . | . | I | π-helix | trans | -69.4 | -27.7 | -176.2 | -176.7 | 0 | 0 | 0 | 0 | 112.3 | F42 I63 L114 N122 | F42-V118 HydrophobicContact CE2-CG1 3.69Å; F42-V118 HydrophobicContact CZ-CG1 4.05Å; I63-V118 HydrophobicContact CG2-CB 3.87Å; I63-V118 HydrophobicContact CG2-CG1 3.7Å; L114-V118 HydrophobicContact CD2-CG2 3.84Å; L114-V118 PolarHBondContact O-N 3.41Å; V118-N122 VanDerWaalsContact O-CB 3.31Å; V118-N122 WeakPolarHBondContact O-CB 3.27Å |
| 119 | G | 97.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | I | π-helix | trans | -78 | -86.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | I63 A67 L114 Y115 T117 G123 | I63-G119 WeakPolarHBondContact O-CA 3.43Å; A67-G119 WeakPolarHBondContact CA-O 3.47Å; A67-G119 WeakPolarHBondContact CB-O 3.31Å; L114-G119 PolarHBondContact O-N 3.34Å; Y115-G119 CarbonylContact O-C 3.52Å; Y115-G119 VanDerWaalsContact O-CA 3.25Å; Y115-G119 WeakPolarHBondContact O-CA 3.4Å; T117-G119 VanDerWaalsContact C-N 3.29Å; T117-G119 PolarHBondContact O-N 3.1Å; G119-G123 PolarHBondContact O-N 3.08Å |
| 120 | F | 98.3 | Very high | 97 | Very high | 102 Ų | 102 | 32.4 Ų | 32.4 | 45% | 0.447 | 16% | 0.162 | S | C | . | . | I | π-helix | trans | -67.4 | -55.4 | -168.2 | 175.9 | -100.9 | 0 | 0 | 0 | 113.7 | I66 T70 Y115 N122 G123 F124 | I66-F120 HydrophobicContact CG2-CB 3.92Å; T70-F120 HydrophobicContact CG2-CD2 3.86Å; T70-F120 HydrophobicContact CG2-CE2 4.03Å; Y115-F120 PolarHBondContact O-N 3.02Å; F120-N122 PolarHBondContact O-N 3.35Å; F120-G123 PolarHBondContact O-N 2.7Å; F120-F124 WeakPolarHBondContact O-CB 3.23Å; F120-F124 PolarHBondContact O-N 3.32Å |
| 121 | L | 98.2 | Very high | 96.6 | Very high | 62 Ų | 62 | 31.3 Ų | 31.3 | 33% | 0.325 | 15% | 0.153 | S | C | . | . | I | π-helix | trans | -64 | -45.2 | -175.7 | -72.9 | 175.1 | 0 | 0 | 0 | 111.6 | I97 A101 I116 T117 F124 G125 | I97-L121 WeakPolarHBondContact CG2-O 3.36Å; A101-L121 HydrophobicContact CB-CB 3.7Å; I116-L121 HydrophobicContact CG2-CD1 4.41Å; I116-L121 WeakPolarHBondContact O-CB 3.44Å; I116-L121 WeakPolarHBondContact O-CG 3.23Å; I116-L121 PolarHBondContact O-N 2.99Å; T117-L121 PolarHBondContact O-N 3.42Å; L121-F124 PolarHBondContact O-N 3.28Å; L121-G125 PolarHBondContact O-N 3.5Å |
| 122 | N | 98.1 | Very high | 96.3 | Very high | 6 Ų | 6 | 30.2 Ų | 30.2 | 3% | 0.032 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65.3 | -42.6 | 177.1 | -171.1 | 36.7 | 0 | 0 | 0 | 111.6 | A101 T117 V118 F120 F124 G125 Y126 Q187 | A101-N122 HydrophobicContact CB-CB 3.9Å; T117-N122 PolarHBondContact O-N 3.22Å; V118-N122 VanDerWaalsContact O-CB 3.31Å; V118-N122 WeakPolarHBondContact O-CB 3.27Å; F120-N122 PolarHBondContact O-N 3.35Å; N122-F124 VanDerWaalsContact C-N 3.32Å; N122-F124 PolarHBondContact O-N 2.87Å; N122-G125 PolarHBondContact O-N 3.45Å; N122-Y126 VanDerWaalsContact ND2-CE2 3.33Å; N122-Y126 WeakPolarHBondContact ND2-CE2 3.33Å; N122-Y126 PolarHBondContact ND2-OH 3.41Å; N122-Y126 VanDerWaalsContact ND2-OH 3.16Å; N122-Y126 VanDerWaalsContact O-CG 3.24Å; N122-Y126 PolarHBondContact O-N 3.43Å; N122-Y126 WeakPolarHBondContact OD1-CE1 3.44Å; N122-Q187 PolarHBondContact OD1-NE2 2.94Å |
| 123 | G | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -60.9 | -37.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | I71 G119 F120 Y126 A127 | I71-G123 WeakPolarHBondContact CG1-O 3.41Å; G119-G123 PolarHBondContact O-N 3.08Å; F120-G123 PolarHBondContact O-N 2.7Å; G123-Y126 WeakPolarHBondContact O-CB 3.23Å; G123-Y126 PolarHBondContact O-N 3.42Å; G123-A127 PolarHBondContact O-N 3.33Å |
| 124 | F | 97.9 | Very high | 95.5 | Very high | 56 Ų | 56 | 24.2 Ų | 24.2 | 25% | 0.246 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -66.5 | -45 | 173.6 | -174.4 | -103 | 0 | 0 | 0 | 111.5 | T70 A74 I97 F120 L121 N122 Y126 A127 L128 | T70-F124 HydrophobicContact CG2-CB 3.9Å; A74-F124 HydrophobicContact CB-CD2 3.6Å; A74-F124 HydrophobicContact CB-CE2 3.93Å; I97-F124 HydrophobicContact CD1-CD1 4.39Å; I97-F124 HydrophobicContact CD1-CE1 4.42Å; F120-F124 WeakPolarHBondContact O-CB 3.23Å; F120-F124 PolarHBondContact O-N 3.32Å; L121-F124 PolarHBondContact O-N 3.28Å; N122-F124 VanDerWaalsContact C-N 3.32Å; N122-F124 PolarHBondContact O-N 2.87Å; F124-Y126 VanDerWaalsContact C-N 3.29Å; F124-Y126 PolarHBondContact O-N 3.41Å; F124-A127 WeakPolarHBondContact O-CB 3.36Å; F124-A127 PolarHBondContact O-N 3.39Å; F124-A127 VanDerWaalsContact O-N 3.14Å; F124-L128 HydrophobicContact CD1-CD1 4.05Å; F124-L128 HydrophobicContact CD1-CG 4.38Å; F124-L128 HydrophobicContact CE1-CD1 3.57Å; F124-L128 HydrophobicContact CE1-CD2 4.5Å; F124-L128 HydrophobicContact CE1-CG 4.09Å; F124-L128 HydrophobicContact CZ-CD1 4.16Å; F124-L128 HydrophobicContact CZ-CD2 4.31Å; F124-L128 HydrophobicContact CZ-CG 4.37Å; F124-L128 WeakPolarHBondContact O-CG 3.38Å; F124-L128 PolarHBondContact O-N 3.4Å; F124-L128 VanDerWaalsContact O-N 3.08Å |
| 125 | G | 98.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59.4 | -39 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | C98 L121 N122 A127 L128 T129 | C98-G125 VanDerWaalsContact SG-CA 3.52Å; L121-G125 PolarHBondContact O-N 3.5Å; N122-G125 PolarHBondContact O-N 3.45Å; G125-A127 PolarHBondContact O-N 2.87Å; G125-L128 PolarHBondContact O-N 3.45Å; G125-T129 WeakPolarHBondContact O-CG2 3.36Å; G125-T129 PolarHBondContact O-N 3.29Å; G125-T129 PolarHBondContact O-OG1 3.36Å; G125-T129 VanDerWaalsContact O-OG1 3.1Å |
| 126 | Y | 97.5 | Very high | 94.2 | Very high | 2 Ų | 2 | 24.7 Ų | 24.7 | 1% | 0.008 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62.1 | -40.9 | 173.1 | -69.7 | -20.7 | 0 | 0 | 0 | 112.3 | T35 V38 I39 I71 C98 N122 G123 F124 L128 T129 W130 Q187 | T35-Y126 HydrophobicContact CG2-CD1 3.53Å; T35-Y126 HydrophobicContact CG2-CE1 4.01Å; T35-Y126 HydrophobicContact CG2-CG 4.07Å; V38-Y126 WeakPolarHBondContact CG1-OH 3.46Å; I39-Y126 HydrophobicContact CD1-CD2 3.9Å; I39-Y126 HydrophobicContact CD1-CE2 3.77Å; I39-Y126 HydrophobicContact CG1-CD2 4.39Å; I39-Y126 HydrophobicContact CG1-CE2 3.76Å; I71-Y126 HydrophobicContact CD1-CD2 3.73Å; I71-Y126 HydrophobicContact CD1-CG 4.29Å; I71-Y126 HydrophobicContact CG1-CD2 4.19Å; I71-Y126 HydrophobicContact CG1-CG 4.43Å; C98-Y126 WeakPolarHBondContact SG-CD1 3.45Å; C98-Y126 PolarHBondContact SG-N 3.12Å; C98-Y126 VanDerWaalsContact SG-N 3.42Å; N122-Y126 VanDerWaalsContact ND2-CE2 3.33Å; N122-Y126 WeakPolarHBondContact ND2-CE2 3.33Å; N122-Y126 PolarHBondContact ND2-OH 3.41Å; N122-Y126 VanDerWaalsContact ND2-OH 3.16Å; N122-Y126 VanDerWaalsContact O-CG 3.24Å; N122-Y126 PolarHBondContact O-N 3.43Å; N122-Y126 WeakPolarHBondContact OD1-CE1 3.44Å; G123-Y126 WeakPolarHBondContact O-CB 3.23Å; G123-Y126 PolarHBondContact O-N 3.42Å; F124-Y126 VanDerWaalsContact C-N 3.29Å; F124-Y126 PolarHBondContact O-N 3.41Å; Y126-L128 VanDerWaalsContact C-N 3.34Å; Y126-L128 PolarHBondContact O-N 2.9Å; Y126-T129 WeakPolarHBondContact CA-OG1 3.23Å; Y126-T129 PolarHBondContact O-N 3.1Å; Y126-T129 PolarHBondContact O-OG1 3.37Å; Y126-W130 VanDerWaalsContact O-CB 3.23Å; Y126-W130 WeakPolarHBondContact O-CB 3.35Å; Y126-W130 PolarHBondContact O-N 3.28Å; Y126-Q187 PolarHBondContact OH-NE2 3.02Å |
| 127 | A | 95.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -61.1 | -42.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | I71 A74 S78 G123 F124 G125 T129 T131 | I71-A127 WeakPolarHBondContact O-CB 3.36Å; A74-A127 HydrophobicContact CB-CB 3.64Å; S78-A127 VanDerWaalsContact CB-O 3.27Å; S78-A127 WeakPolarHBondContact CB-O 3.4Å; S78-A127 PolarHBondContact OG-O 3.29Å; G123-A127 PolarHBondContact O-N 3.33Å; F124-A127 WeakPolarHBondContact O-CB 3.36Å; F124-A127 PolarHBondContact O-N 3.39Å; F124-A127 VanDerWaalsContact O-N 3.14Å; G125-A127 PolarHBondContact O-N 2.87Å; A127-T129 VanDerWaalsContact C-N 3.28Å; A127-T129 PolarHBondContact O-N 3.42Å; A127-T131 PolarHBondContact O-N 3.02Å; A127-T131 PolarHBondContact O-OG1 3.24Å |
| 128 | L | 95.7 | Very high | 92.8 | Very high | 4 Ų | 4 | 20.8 Ų | 20.8 | 2% | 0.021 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -69.1 | -22.7 | 178.9 | -64.4 | -170.5 | 0 | 0 | 0 | 113.6 | S78 L81 V90 I97 F124 G125 Y126 P132 | S78-L128 WeakPolarHBondContact OG-CA 3.4Å; L81-L128 HydrophobicContact CD1-CD2 3.84Å; V90-L128 HydrophobicContact CG1-CB 4.08Å; V90-L128 HydrophobicContact CG1-CD2 3.94Å; V90-L128 HydrophobicContact CG1-CG 4.48Å; I97-L128 HydrophobicContact CD1-CD1 3.96Å; F124-L128 HydrophobicContact CD1-CD1 4.05Å; F124-L128 HydrophobicContact CD1-CG 4.38Å; F124-L128 HydrophobicContact CE1-CD1 3.57Å; F124-L128 HydrophobicContact CE1-CD2 4.5Å; F124-L128 HydrophobicContact CE1-CG 4.09Å; F124-L128 HydrophobicContact CZ-CD1 4.16Å; F124-L128 HydrophobicContact CZ-CD2 4.31Å; F124-L128 HydrophobicContact CZ-CG 4.37Å; F124-L128 WeakPolarHBondContact O-CG 3.38Å; F124-L128 PolarHBondContact O-N 3.4Å; F124-L128 VanDerWaalsContact O-N 3.08Å; G125-L128 PolarHBondContact O-N 3.45Å; Y126-L128 VanDerWaalsContact C-N 3.34Å; Y126-L128 PolarHBondContact O-N 2.9Å; L128-P132 WeakPolarHBondContact O-CG 3.36Å |
| 129 | T | 96.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -92 | -46.8 | 176.6 | 50.7 | 0 | 0 | 0 | 0 | 112 | V91 G125 Y126 A127 T133 L190 | V91-T129 HydrophobicContact CG1-CG2 4.16Å; V91-T129 WeakPolarHBondContact O-CG2 3.01Å; G125-T129 WeakPolarHBondContact O-CG2 3.36Å; G125-T129 PolarHBondContact O-N 3.29Å; G125-T129 PolarHBondContact O-OG1 3.36Å; G125-T129 VanDerWaalsContact O-OG1 3.1Å; Y126-T129 WeakPolarHBondContact CA-OG1 3.23Å; Y126-T129 PolarHBondContact O-N 3.1Å; Y126-T129 PolarHBondContact O-OG1 3.37Å; A127-T129 VanDerWaalsContact C-N 3.28Å; A127-T129 PolarHBondContact O-N 3.42Å; T129-T133 VanDerWaalsContact O-CB 3.27Å; T129-T133 WeakPolarHBondContact O-CB 3.42Å; T129-T133 PolarHBondContact O-N 3.23Å; T129-T133 PolarHBondContact O-OG1 2.8Å; T129-L190 HydrophobicContact CG2-CB 4.17Å; T129-L190 HydrophobicContact CG2-CD1 4.27Å |
| 130 | W | 91.8 | Very high | 91.6 | Very high | 60 Ų | 60 | 24.9 Ų | 24.9 | 23% | 0.227 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -69.6 | -54.6 | -172.4 | -179.7 | 79.2 | 0 | 0 | 0 | 113.2 | V31 F32 F36 Y126 T133 V134 | V31-W130 HydrophobicContact CG1-CB 4.43Å; F32-W130 AromaticContact CE1-NE1 3.51Å; F32-W130 AromaticContact CZ-NE1 3.43Å; F36-W130 AromaticContact CE2-CD1 3.7Å; F36-W130 HydrophobicContact CE2-CD2 4.39Å; F36-W130 HydrophobicContact CE2-CG 4.19Å; F36-W130 AromaticContact CE2-NE1 3.61Å; Y126-W130 VanDerWaalsContact O-CB 3.23Å; Y126-W130 WeakPolarHBondContact O-CB 3.35Å; Y126-W130 PolarHBondContact O-N 3.28Å; W130-T133 PolarHBondContact O-N 2.68Å; W130-V134 HydrophobicContact CD2-CG2 4.25Å; W130-V134 HydrophobicContact CG-CG2 4.36Å; W130-V134 HydrophobicContact CZ2-CG2 4.23Å; W130-V134 WeakPolarHBondContact O-CG2 3.18Å; W130-V134 PolarHBondContact O-N 3.05Å |
| 131 | T | 87.3 | Confident | 90.8 | Very high | 15 Ų | 15 | 20.1 Ų | 20.1 | 9% | 0.092 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -57.9 | -53 | -173.3 | -56 | 0 | 0 | 0 | 0 | 113.8 | A127 T133 T135 | A127-T131 PolarHBondContact O-N 3.02Å; A127-T131 PolarHBondContact O-OG1 3.24Å; T131-T133 VanDerWaalsContact C-N 3.35Å; T131-T133 PolarHBondContact O-N 3.43Å; T131-T135 WeakPolarHBondContact O-CB 3.31Å; T131-T135 PolarHBondContact O-N 3.01Å; T131-T135 PolarHBondContact O-OG1 3.16Å |
| 132 | P | 87.8 | Confident | 89.8 | Confident | 1 Ų | 1 | 21.3 Ų | 21.3 | 1% | 0.006 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63.2 | -36.7 | 176.1 | 16 | -29.6 | 0 | 0 | 0 | 113.7 | S78 S82 H87 V90 V91 L128 T135 M136 | S78-P132 WeakPolarHBondContact OG-CD 3.5Å; S82-P132 WeakPolarHBondContact OG-CB 3.38Å; H87-P132 HydrophobicContact CB-CB 4.03Å; V90-P132 HydrophobicContact CG1-CG 4.2Å; V91-P132 HydrophobicContact CG2-CB 3.86Å; V91-P132 HydrophobicContact CG2-CG 3.43Å; V91-P132 VanDerWaalsContact CG2-CG 3.43Å; L128-P132 WeakPolarHBondContact O-CG 3.36Å; P132-T135 PolarHBondContact O-N 2.87Å; P132-M136 WeakPolarHBondContact O-CB 3.23Å; P132-M136 VanDerWaalsContact O-CG 3.28Å; P132-M136 WeakPolarHBondContact O-CG 3.32Å; P132-M136 PolarHBondContact O-N 3.03Å |
| 133 | T | 92 | Very high | 88.8 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -67 | -43.7 | -179.4 | -56.7 | 0 | 0 | 0 | 0 | 111.2 | C28 V31 V91 T129 W130 T131 T135 M136 L137 L197 | C28-T133 HydrophobicContact CB-CG2 3.78Å; V31-T133 HydrophobicContact CB-CG2 4.25Å; V31-T133 HydrophobicContact CG2-CG2 4.07Å; V91-T133 WeakPolarHBondContact CG2-OG1 3.1Å; T129-T133 VanDerWaalsContact O-CB 3.27Å; T129-T133 WeakPolarHBondContact O-CB 3.42Å; T129-T133 PolarHBondContact O-N 3.23Å; T129-T133 PolarHBondContact O-OG1 2.8Å; W130-T133 PolarHBondContact O-N 2.68Å; T131-T133 VanDerWaalsContact C-N 3.35Å; T131-T133 PolarHBondContact O-N 3.43Å; T133-T135 VanDerWaalsContact C-N 3.34Å; T133-T135 PolarHBondContact O-N 3.1Å; T133-M136 PolarHBondContact O-N 3.5Å; T133-L137 PolarHBondContact O-N 3.09Å; T133-L197 HydrophobicContact CG2-CD2 4.38Å |
| 134 | V | 85.4 | Confident | 88 | Confident | 37 Ų | 37 | 38.1 Ų | 38.1 | 22% | 0.224 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.3 | -38.7 | 175.2 | 173.9 | 0 | 0 | 0 | 0 | 111.3 | F32 W130 L137 G138 | F32-V134 HydrophobicContact CE2-CG2 3.86Å; F32-V134 HydrophobicContact CZ-CG2 4.03Å; W130-V134 HydrophobicContact CD2-CG2 4.25Å; W130-V134 HydrophobicContact CG-CG2 4.36Å; W130-V134 HydrophobicContact CZ2-CG2 4.23Å; W130-V134 WeakPolarHBondContact O-CG2 3.18Å; W130-V134 PolarHBondContact O-N 3.05Å; V134-L137 WeakPolarHBondContact O-CB 3.48Å; V134-L137 PolarHBondContact O-N 3.28Å; V134-G138 PolarHBondContact O-N 2.56Å |
| 135 | T | 84.6 | Confident | 87 | Confident | 58 Ų | 58 | 40.5 Ų | 40.5 | 36% | 0.356 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -61.8 | -46.6 | 175.4 | -59.3 | 0 | 0 | 0 | 0 | 110.8 | T131 P132 T133 L137 G138 L139 | T131-T135 WeakPolarHBondContact O-CB 3.31Å; T131-T135 PolarHBondContact O-N 3.01Å; T131-T135 PolarHBondContact O-OG1 3.16Å; P132-T135 PolarHBondContact O-N 2.87Å; T133-T135 VanDerWaalsContact C-N 3.34Å; T133-T135 PolarHBondContact O-N 3.1Å; T135-L137 VanDerWaalsContact C-N 3.32Å; T135-L137 PolarHBondContact O-N 3.45Å; T135-G138 PolarHBondContact O-N 3.34Å; T135-L139 HydrophobicContact CG2-CD1 4.41Å; T135-L139 WeakPolarHBondContact O-CG 3.32Å; T135-L139 PolarHBondContact O-N 3.48Å |
| 136 | M | 84.4 | Confident | 86 | Confident | 3 Ų | 3 | 45.3 Ų | 45.3 | 2% | 0.015 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.7 | -40 | 175.9 | -75.4 | -63.7 | -68.5 | 0 | 0 | 112.3 | I24 H87 P132 T133 G138 L139 Y140 L197 R198 | I24-M136 HydrophobicContact CG2-CB 4.23Å; H87-M136 HydrophobicContact CB-CG 3.76Å; H87-M136 HydrophobicContact CB-SD 4.07Å; H87-M136 PolarHBondContact CD2-SD 3.42Å; P132-M136 WeakPolarHBondContact O-CB 3.23Å; P132-M136 VanDerWaalsContact O-CG 3.28Å; P132-M136 WeakPolarHBondContact O-CG 3.32Å; P132-M136 PolarHBondContact O-N 3.03Å; T133-M136 PolarHBondContact O-N 3.5Å; M136-G138 VanDerWaalsContact C-N 3.33Å; M136-G138 PolarHBondContact O-N 3.24Å; M136-L139 PolarHBondContact O-N 3.36Å; M136-L139 HydrophobicContact SD-CD1 4.15Å; M136-Y140 HydrophobicContact CE-CD2 4.23Å; M136-Y140 HydrophobicContact CE-CE2 3.59Å; M136-Y140 WeakPolarHBondContact O-CD2 3.11Å; M136-Y140 PolarHBondContact O-N 2.97Å; M136-Y140 VanDerWaalsContact O-N 3.11Å; M136-L197 HydrophobicContact CB-CD2 4.23Å; M136-L197 HydrophobicContact CG-CD1 4.47Å; M136-L197 HydrophobicContact CG-CD2 4.48Å; M136-R198 WeakPolarHBondContact CE-O 3.34Å |
| 137 | L | 86.6 | Confident | 85.3 | Confident | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.6 | -45.4 | 174.5 | -173.5 | 66.6 | 0 | 0 | 0 | 111.5 | I24 L25 C28 T133 V134 T135 L139 Y140 F141 A148 N149 A152 | I24-L137 HydrophobicContact CG2-CD1 4.45Å; L25-L137 HydrophobicContact CB-CD1 3.99Å; L25-L137 HydrophobicContact CG-CD1 4.35Å; C28-L137 HydrophobicContact CB-CD1 4.49Å; C28-L137 HydrophobicContact CB-CD2 4.16Å; T133-L137 PolarHBondContact O-N 3.09Å; V134-L137 WeakPolarHBondContact O-CB 3.48Å; V134-L137 PolarHBondContact O-N 3.28Å; T135-L137 VanDerWaalsContact C-N 3.32Å; T135-L137 PolarHBondContact O-N 3.45Å; L137-L139 VanDerWaalsContact C-N 3.29Å; L137-L139 PolarHBondContact O-N 2.78Å; L137-Y140 PolarHBondContact O-N 3.34Å; L137-F141 HydrophobicContact CD1-CD2 3.68Å; L137-F141 HydrophobicContact CD1-CE2 3.68Å; L137-F141 HydrophobicContact CG-CD2 4.36Å; L137-F141 PolarHBondContact O-N 3.49Å; L137-F141 VanDerWaalsContact O-N 3.11Å; L137-A148 HydrophobicContact CD1-CB 4.21Å; L137-A148 HydrophobicContact CG-CB 4.38Å; L137-N149 WeakPolarHBondContact CD2-OD1 3.29Å; L137-A152 HydrophobicContact CD2-CB 3.67Å |
| 138 | G | 81 | Confident | 84.9 | Confident | 23 Ų | 23 | 49.3 Ų | 49.3 | 24% | 0.237 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.5 | -23.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | V134 T135 M136 R145 | V134-G138 PolarHBondContact O-N 2.56Å; T135-G138 PolarHBondContact O-N 3.34Å; M136-G138 VanDerWaalsContact C-N 3.33Å; M136-G138 PolarHBondContact O-N 3.24Å; G138-R145 PolarHBondContact O-NE 3.48Å; G138-R145 VanDerWaalsContact O-NE 3.1Å; G138-R145 PolarHBondContact O-NH2 3.03Å; G138-R145 VanDerWaalsContact O-NH2 3.09Å |
| 139 | L | 83.4 | Confident | 84.4 | Confident | 86 Ų | 86 | 52.5 Ų | 52.5 | 45% | 0.45 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -79.2 | -31 | 173.5 | -68 | 174.8 | 0 | 0 | 0 | 112.6 | T135 M136 L137 L200 | T135-L139 HydrophobicContact CG2-CD1 4.41Å; T135-L139 WeakPolarHBondContact O-CG 3.32Å; T135-L139 PolarHBondContact O-N 3.48Å; M136-L139 PolarHBondContact O-N 3.36Å; M136-L139 HydrophobicContact SD-CD1 4.15Å; L137-L139 VanDerWaalsContact C-N 3.29Å; L137-L139 PolarHBondContact O-N 2.78Å; L139-L200 HydrophobicContact CB-CD1 4.21Å; L139-L200 WeakPolarHBondContact O-CD1 3.28Å |
| 140 | Y | 85.8 | Confident | 83.8 | Confident | 7 Ų | 7 | 55 Ų | 55 | 3% | 0.027 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -85 | -28.1 | -178.2 | -92.2 | -98.1 | 0 | 0 | 0 | 114.1 | P16 D17 Y20 A21 I24 M136 L137 R198 L200 | P16-Y140 WeakPolarHBondContact CD-O 2.89Å; P16-Y140 HydrophobicContact CG-CD1 4Å; P16-Y140 HydrophobicContact CG-CE1 4.28Å; D17-Y140 PolarHBondContact N-O 3.27Å; D17-Y140 VanDerWaalsContact N-O 3.08Å; Y20-Y140 HydrophobicContact CD1-CE1 4.08Å; A21-Y140 HydrophobicContact CB-CD1 3.82Å; A21-Y140 HydrophobicContact CB-CG 4.4Å; I24-Y140 HydrophobicContact CB-CG 4.44Å; I24-Y140 HydrophobicContact CD1-CE2 4.12Å; I24-Y140 HydrophobicContact CG1-CD1 4.02Å; I24-Y140 HydrophobicContact CG1-CD2 3.89Å; I24-Y140 HydrophobicContact CG1-CE1 3.99Å; I24-Y140 HydrophobicContact CG1-CE2 3.85Å; I24-Y140 HydrophobicContact CG1-CG 3.95Å; I24-Y140 HydrophobicContact CG2-CD2 4.38Å; M136-Y140 HydrophobicContact CE-CD2 4.23Å; M136-Y140 HydrophobicContact CE-CE2 3.59Å; M136-Y140 WeakPolarHBondContact O-CD2 3.11Å; M136-Y140 PolarHBondContact O-N 2.97Å; M136-Y140 VanDerWaalsContact O-N 3.11Å; L137-Y140 PolarHBondContact O-N 3.34Å; Y140-R198 WeakPolarHBondContact CE2-O 3.47Å; Y140-R198 PolarHBondContact OH-O 2.84Å; Y140-L200 HydrophobicContact CD1-CD2 4.2Å; Y140-L200 HydrophobicContact CD2-CD1 3.78Å; Y140-L200 HydrophobicContact CD2-CD2 4.39Å; Y140-L200 HydrophobicContact CD2-CG 3.95Å; Y140-L200 HydrophobicContact CE1-CD2 3.6Å; Y140-L200 HydrophobicContact CE1-CG 4.19Å; Y140-L200 HydrophobicContact CE2-CD1 3.84Å; Y140-L200 HydrophobicContact CE2-CD2 3.81Å; Y140-L200 HydrophobicContact CE2-CG 3.45Å; Y140-L200 VanDerWaalsContact CE2-CG 3.45Å; Y140-L200 HydrophobicContact CG-CD1 4.18Å |
| 141 | F | 82.3 | Confident | 83.7 | Confident | 2 Ų | 2 | 55.9 Ų | 55.9 | 1% | 0.009 | 29% | 0.288 | C | S | . | . | trans | -111.4 | 134.7 | 174.8 | -67.5 | -82.7 | 0 | 0 | 0 | 110 | D17 A21 W22 L25 L137 R144 R145 A148 | D17-F141 VanDerWaalsContact OD1-CA 3.27Å; D17-F141 WeakPolarHBondContact OD1-CA 3.35Å; A21-F141 HydrophobicContact CB-CD2 4.43Å; A21-F141 HydrophobicContact CB-CE1 4.04Å; A21-F141 HydrophobicContact CB-CE2 3.81Å; A21-F141 HydrophobicContact CB-CZ 3.6Å; A21-F141 WeakPolarHBondContact O-CE2 3.29Å; W22-F141 HydrophobicContact CE3-CZ 4.39Å; L25-F141 HydrophobicContact CB-CE2 4.11Å; L25-F141 HydrophobicContact CB-CZ 4.4Å; L25-F141 HydrophobicContact CD1-CE2 4.18Å; L25-F141 HydrophobicContact CD1-CZ 4.05Å; L137-F141 HydrophobicContact CD1-CD2 3.68Å; L137-F141 HydrophobicContact CD1-CE2 3.68Å; L137-F141 HydrophobicContact CG-CD2 4.36Å; L137-F141 PolarHBondContact O-N 3.49Å; L137-F141 VanDerWaalsContact O-N 3.11Å; F141-R144 HydrophobicContact CD1-CB 4.04Å; F141-R145 HydrophobicContact CB-CG 4.13Å; F141-R145 WeakPolarHBondContact O-CD 3.33Å; F141-R145 WeakPolarHBondContact O-CG 3.43Å; F141-R145 PolarHBondContact O-NE 2.99Å; F141-A148 HydrophobicContact CB-CB 4.07Å; F141-A148 HydrophobicContact CD1-CB 4.06Å; F141-A148 HydrophobicContact CD2-CB 3.48Å; F141-A148 VanDerWaalsContact CD2-CB 3.48Å; F141-A148 HydrophobicContact CE1-CB 4.36Å; F141-A148 HydrophobicContact CE2-CB 3.84Å; F141-A148 HydrophobicContact CG-CB 3.59Å; F141-A148 HydrophobicContact CZ-CB 4.26Å | ||
| 142 | D | 77.4 | Confident | 84 | Confident | 86 Ų | 86 | 55.2 Ų | 55.2 | 46% | 0.46 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -121.2 | -58 | 172.4 | -168.8 | 39.7 | 0 | 0 | 0 | 109.6 | A15 D17 R145 | A15-D142 HydrophobicContact CB-CB 3.57Å; D17-D142 PolarHBondContact OD1-N 2.7Å; D142-R145 WeakPolarHBondContact O-CG 3.48Å; D142-R145 IonicContact OD1-CZ 3.14Å; D142-R145 IonicContact OD1-NE 3.9Å; D142-R145 IonicContact OD1-NH1 3.11Å; D142-R145 PolarHBondContact OD1-NH1 3.12Å; D142-R145 VanDerWaalsContact OD1-NH1 3.11Å; D142-R145 IonicContact OD1-NH2 3.07Å; D142-R145 PolarHBondContact OD1-NH2 3.32Å |
| 143 | R | 77.3 | Confident | 84 | Confident | 225 Ų | 225 | 56.2 Ų | 56.2 | 85% | 0.849 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -32.6 | 179 | -66.6 | -177.6 | 174.2 | 178.4 | -2.4 | 113.3 | D17 | D17-R143 PolarHBondContact OD1-N 2.76Å; D17-R143 WeakPolarHBondContact OD2-CB 3.25Å; D17-R143 PolarHBondContact OD2-N 2.94Å |
| 144 | R | 79.3 | Confident | 84 | Confident | 135 Ų | 135 | 56.7 Ų | 56.7 | 51% | 0.509 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | 20.6 | -175.9 | -59.5 | -178.7 | -179.9 | -170 | 0 | 113.4 | D17 F141 V147 A148 | D17-R144 PolarHBondContact OD1-N 3.05Å; F141-R144 HydrophobicContact CD1-CB 4.04Å; R144-V147 PolarHBondContact O-N 3.1Å; R144-A148 WeakPolarHBondContact O-CB 3.42Å; R144-A148 PolarHBondContact O-N 2.96Å |
| 145 | R | 77.2 | Confident | 84.5 | Confident | 105 Ų | 105 | 54.9 Ų | 54.9 | 40% | 0.396 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -51.5 | -49 | -178.3 | -78.9 | 179.6 | 176 | 147.2 | 12.8 | 114.5 | G138 F141 D142 V147 A148 N149 | G138-R145 PolarHBondContact O-NE 3.48Å; G138-R145 VanDerWaalsContact O-NE 3.1Å; G138-R145 PolarHBondContact O-NH2 3.03Å; G138-R145 VanDerWaalsContact O-NH2 3.09Å; F141-R145 HydrophobicContact CB-CG 4.13Å; F141-R145 WeakPolarHBondContact O-CD 3.33Å; F141-R145 WeakPolarHBondContact O-CG 3.43Å; F141-R145 PolarHBondContact O-NE 2.99Å; D142-R145 WeakPolarHBondContact O-CG 3.48Å; D142-R145 IonicContact OD1-CZ 3.14Å; D142-R145 IonicContact OD1-NE 3.9Å; D142-R145 IonicContact OD1-NH1 3.11Å; D142-R145 PolarHBondContact OD1-NH1 3.12Å; D142-R145 VanDerWaalsContact OD1-NH1 3.11Å; D142-R145 IonicContact OD1-NH2 3.07Å; D142-R145 PolarHBondContact OD1-NH2 3.32Å; R145-V147 VanDerWaalsContact C-N 3.32Å; R145-V147 PolarHBondContact O-N 3.17Å; R145-A148 PolarHBondContact O-N 2.83Å; R145-N149 PolarHBondContact O-N 3.46Å |
| 146 | P | 77.1 | Confident | 85 | Confident | 101 Ų | 101 | 52.9 Ų | 52.9 | 66% | 0.656 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -62.2 | -41.2 | -179.3 | -23.2 | 35.2 | 0 | 0 | 0 | 112.1 | A150 | P146-A150 WeakPolarHBondContact O-CB 3.48Å; P146-A150 PolarHBondContact O-N 3.41Å |
| 147 | V | 84.2 | Confident | 85.5 | Confident | 85 Ų | 85 | 52.9 Ų | 52.9 | 52% | 0.515 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -65.7 | -43.6 | 177.5 | -179.7 | 0 | 0 | 0 | 0 | 111 | R144 R145 A150 L151 | R144-V147 PolarHBondContact O-N 3.1Å; R145-V147 VanDerWaalsContact C-N 3.32Å; R145-V147 PolarHBondContact O-N 3.17Å; V147-A150 PolarHBondContact O-N 2.9Å; V147-L151 HydrophobicContact CG1-CD1 3.96Å; V147-L151 HydrophobicContact CG1-CG 4.39Å; V147-L151 WeakPolarHBondContact O-CB 3.38Å; V147-L151 WeakPolarHBondContact O-CG 3.37Å; V147-L151 PolarHBondContact O-N 3.36Å |
| 148 | A | 85.4 | Confident | 86 | Confident | 2 Ų | 2 | 56.2 Ų | 56.2 | 2% | 0.017 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.1 | -43.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L25 L137 F141 R144 R145 A152 | L25-A148 HydrophobicContact CD1-CB 4.08Å; L137-A148 HydrophobicContact CD1-CB 4.21Å; L137-A148 HydrophobicContact CG-CB 4.38Å; F141-A148 HydrophobicContact CB-CB 4.07Å; F141-A148 HydrophobicContact CD1-CB 4.06Å; F141-A148 HydrophobicContact CD2-CB 3.48Å; F141-A148 VanDerWaalsContact CD2-CB 3.48Å; F141-A148 HydrophobicContact CE1-CB 4.36Å; F141-A148 HydrophobicContact CE2-CB 3.84Å; F141-A148 HydrophobicContact CG-CB 3.59Å; F141-A148 HydrophobicContact CZ-CB 4.26Å; R144-A148 WeakPolarHBondContact O-CB 3.42Å; R144-A148 PolarHBondContact O-N 2.96Å; R145-A148 PolarHBondContact O-N 2.83Å; A148-A152 VanDerWaalsContact O-CB 3.26Å; A148-A152 WeakPolarHBondContact O-CB 3.47Å; A148-A152 PolarHBondContact O-N 3.05Å |
| 149 | N | 84.8 | Confident | 86.7 | Confident | 71 Ų | 71 | 56.1 Ų | 56.1 | 38% | 0.38 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -65.9 | -40.6 | 175.3 | -76.7 | -25.7 | 0 | 0 | 0 | 112 | L137 R145 A152 S153 | L137-N149 WeakPolarHBondContact CD2-OD1 3.29Å; R145-N149 PolarHBondContact O-N 3.46Å; N149-A152 PolarHBondContact O-N 3.08Å; N149-S153 WeakPolarHBondContact O-CB 3.35Å; N149-S153 PolarHBondContact O-N 3.36Å; N149-S153 PolarHBondContact O-OG 2.8Å |
| 150 | A | 84.5 | Confident | 87.3 | Confident | 52 Ų | 52 | 52.2 Ų | 52.2 | 43% | 0.43 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.5 | -49 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | P146 V147 S153 A154 | P146-A150 WeakPolarHBondContact O-CB 3.48Å; P146-A150 PolarHBondContact O-N 3.41Å; V147-A150 PolarHBondContact O-N 2.9Å; A150-S153 PolarHBondContact O-N 3.4Å; A150-S153 PolarHBondContact O-OG 3.4Å; A150-A154 PolarHBondContact O-N 3.07Å |
| 151 | L | 91.3 | Very high | 87.8 | Confident | 79 Ų | 79 | 56.8 Ų | 56.8 | 41% | 0.414 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64 | -41.8 | 177.2 | -71.7 | 173.3 | 0 | 0 | 0 | 112.5 | W22 L25 F29 V147 A154 | W22-L151 HydrophobicContact CZ3-CD1 4.2Å; L25-L151 HydrophobicContact CD1-CB 4.1Å; L25-L151 HydrophobicContact CD1-CD1 4.17Å; L25-L151 HydrophobicContact CD2-CB 4.1Å; F29-L151 WeakPolarHBondContact CD2-O 3.17Å; V147-L151 HydrophobicContact CG1-CD1 3.96Å; V147-L151 HydrophobicContact CG1-CG 4.39Å; V147-L151 WeakPolarHBondContact O-CB 3.38Å; V147-L151 WeakPolarHBondContact O-CG 3.37Å; V147-L151 PolarHBondContact O-N 3.36Å; L151-A154 WeakPolarHBondContact O-CB 3.33Å; L151-A154 PolarHBondContact O-N 3.32Å |
| 152 | A | 91.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.6 | -44.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | C28 F29 F32 L137 A148 N149 A154 G155 | C28-A152 HydrophobicContact CB-CB 3.86Å; F29-A152 WeakPolarHBondContact CA-O 3.16Å; F32-A152 HydrophobicContact CD2-CB 4.18Å; F32-A152 HydrophobicContact CE2-CB 4.25Å; L137-A152 HydrophobicContact CD2-CB 3.67Å; A148-A152 VanDerWaalsContact O-CB 3.26Å; A148-A152 WeakPolarHBondContact O-CB 3.47Å; A148-A152 PolarHBondContact O-N 3.05Å; N149-A152 PolarHBondContact O-N 3.08Å; A152-A154 VanDerWaalsContact C-N 3.25Å; A152-A154 PolarHBondContact O-N 3.36Å; A152-G155 PolarHBondContact O-N 3.05Å; A152-G155 VanDerWaalsContact O-N 3.17Å |
| 153 | S | 88 | Confident | 89.3 | Confident | 22 Ų | 22 | 55.9 Ų | 55.9 | 15% | 0.154 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -69.2 | -20.1 | 178.5 | 65.4 | 0 | 0 | 0 | 0 | 113.8 | N149 A150 G155 E156 | N149-S153 WeakPolarHBondContact O-CB 3.35Å; N149-S153 PolarHBondContact O-N 3.36Å; N149-S153 PolarHBondContact O-OG 2.8Å; A150-S153 PolarHBondContact O-N 3.4Å; A150-S153 PolarHBondContact O-OG 3.4Å; S153-G155 PolarHBondContact O-N 3.06Å; S153-G155 VanDerWaalsContact O-N 3.17Å; S153-E156 VanDerWaalsContact O-CB 3.23Å; S153-E156 WeakPolarHBondContact O-CB 3.41Å; S153-E156 PolarHBondContact O-N 3.32Å; S153-E156 VanDerWaalsContact O-N 3.1Å |
| 154 | A | 93.4 | Very high | 90.1 | Very high | 10 Ų | 10 | 45.2 Ų | 45.2 | 8% | 0.083 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.4 | -25.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | F29 A150 L151 A152 E156 C157 I158 L307 | F29-A154 HydrophobicContact CE2-CB 4.37Å; A150-A154 PolarHBondContact O-N 3.07Å; L151-A154 WeakPolarHBondContact O-CB 3.33Å; L151-A154 PolarHBondContact O-N 3.32Å; A152-A154 VanDerWaalsContact C-N 3.25Å; A152-A154 PolarHBondContact O-N 3.36Å; A154-E156 PolarHBondContact O-N 3.12Å; A154-C157 PolarHBondContact O-N 3.1Å; A154-C157 VanDerWaalsContact O-N 3.12Å; A154-I158 PolarHBondContact O-N 2.93Å; A154-L307 HydrophobicContact CB-CD1 3.5Å |
| 155 | G | 95 | Very high | 90.9 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.6 | -33.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | F29 G33 A152 S153 C157 L159 | F29-G155 VanDerWaalsContact CD2-CA 3.41Å; F29-G155 VanDerWaalsContact CE2-N 3.28Å; F29-G155 VanDerWaalsContact CZ-CA 3.46Å; G33-G155 VanDerWaalsContact CA-O 3.32Å; G33-G155 WeakPolarHBondContact CA-O 3.38Å; A152-G155 PolarHBondContact O-N 3.05Å; A152-G155 VanDerWaalsContact O-N 3.17Å; S153-G155 PolarHBondContact O-N 3.06Å; S153-G155 VanDerWaalsContact O-N 3.17Å; G155-C157 PolarHBondContact O-N 3.34Å; G155-L159 VanDerWaalsContact O-CB 3.31Å; G155-L159 WeakPolarHBondContact O-CB 3.45Å; G155-L159 PolarHBondContact O-N 3.12Å |
| 156 | E | 94.6 | Very high | 91.8 | Very high | 16 Ų | 16 | 39.5 Ų | 39.5 | 8% | 0.075 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -56.2 | -49.2 | 172.6 | -177.2 | -167.7 | 154.1 | 0 | 0 | 111.5 | F32 F36 K40 S153 A154 T160 R310 | F32-E156 HydrophobicContact CB-CB 4.49Å; F36-E156 HydrophobicContact CB-CG 3.73Å; K40-E156 HydrophobicContact CD-CG 4.41Å; K40-E156 WeakPolarHBondContact CD-OE1 3.3Å; K40-E156 WeakPolarHBondContact CE-OE1 3.23Å; K40-E156 IonicContact NZ-OE1 2.77Å; K40-E156 PolarHBondContact NZ-OE1 2.79Å; S153-E156 VanDerWaalsContact O-CB 3.23Å; S153-E156 WeakPolarHBondContact O-CB 3.41Å; S153-E156 PolarHBondContact O-N 3.32Å; S153-E156 VanDerWaalsContact O-N 3.1Å; A154-E156 PolarHBondContact O-N 3.12Å; E156-T160 WeakPolarHBondContact O-CB 3.42Å; E156-T160 PolarHBondContact O-N 2.93Å; E156-T160 PolarHBondContact O-OG1 2.82Å; E156-R310 VanDerWaalsContact CD-NH2 3.28Å; E156-R310 IonicContact OE1-NH2 3.57Å; E156-R310 PolarHBondContact OE1-NH2 2.98Å; E156-R310 IonicContact OE2-CZ 3.52Å; E156-R310 IonicContact OE2-NH1 3.11Å; E156-R310 PolarHBondContact OE2-NH1 3.44Å; E156-R310 IonicContact OE2-NH2 3.41Å; E156-R310 PolarHBondContact OE2-NH2 2.93Å |
| 157 | C | 95.1 | Very high | 92.7 | Very high | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.014 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -72 | -46.8 | -175.1 | -60.5 | 0 | 0 | 0 | 0 | 111.5 | A154 G155 L159 T160 F161 A303 L307 | A154-C157 PolarHBondContact O-N 3.1Å; A154-C157 VanDerWaalsContact O-N 3.12Å; G155-C157 PolarHBondContact O-N 3.34Å; C157-L159 PolarHBondContact O-N 3.45Å; C157-T160 PolarHBondContact O-N 3.08Å; C157-F161 WeakPolarHBondContact O-CB 3.42Å; C157-F161 PolarHBondContact O-N 3.16Å; C157-A303 WeakPolarHBondContact CB-O 3.14Å; C157-L307 HydrophobicContact CB-CB 3.74Å; C157-L307 HydrophobicContact CB-CD1 4.5Å; C157-L307 HydrophobicContact CB-CG 4.49Å |
| 158 | I | 96.8 | Very high | 93.3 | Very high | 71 Ų | 71 | 31 Ų | 31 | 36% | 0.364 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -65.1 | -42 | -178.1 | -66.9 | 169.1 | 0 | 0 | 0 | 110.9 | F29 A154 S162 L307 | F29-I158 HydrophobicContact CE2-CD1 3.86Å; F29-I158 HydrophobicContact CZ-CB 4.16Å; F29-I158 HydrophobicContact CZ-CD1 3.78Å; F29-I158 HydrophobicContact CZ-CG2 4.33Å; A154-I158 PolarHBondContact O-N 2.93Å; I158-S162 PolarHBondContact O-N 3.18Å; I158-S162 VanDerWaalsContact O-N 3.1Å; I158-S162 PolarHBondContact O-OG 3.48Å; I158-L307 HydrophobicContact CD1-CD2 4.33Å; I158-L307 HydrophobicContact CG1-CD2 4.07Å |
| 159 | L | 96.4 | Very high | 93.8 | Very high | 22 Ų | 22 | 34.8 Ų | 34.8 | 12% | 0.115 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -72.5 | -35.2 | 176.1 | -88 | 65.1 | 0 | 0 | 0 | 111.3 | F29 F30 L34 G155 C157 F161 S162 L163 | F29-L159 HydrophobicContact CE1-CD1 3.88Å; F29-L159 HydrophobicContact CZ-CD1 4.42Å; F30-L159 HydrophobicContact CD1-CD2 4.39Å; L34-L159 HydrophobicContact CD2-CD2 3.97Å; L34-L159 HydrophobicContact CG-CD2 3.94Å; G155-L159 VanDerWaalsContact O-CB 3.31Å; G155-L159 WeakPolarHBondContact O-CB 3.45Å; G155-L159 PolarHBondContact O-N 3.12Å; C157-L159 PolarHBondContact O-N 3.45Å; L159-F161 PolarHBondContact O-N 3.06Å; L159-S162 PolarHBondContact O-N 3.05Å; L159-L163 HydrophobicContact CB-CD1 4.08Å; L159-L163 HydrophobicContact CB-CG 4.42Å; L159-L163 WeakPolarHBondContact O-CA 3.36Å; L159-L163 WeakPolarHBondContact O-CB 3.49Å; L159-L163 WeakPolarHBondContact O-CG 3.19Å; L159-L163 PolarHBondContact O-N 2.87Å |
| 160 | T | 95.6 | Very high | 94.4 | Very high | 3 Ų | 3 | 32 Ų | 32 | 2% | 0.018 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.4 | -47.8 | 172.4 | -56.3 | 0 | 0 | 0 | 0 | 111.1 | G37 K40 E156 C157 S162 L163 T164 A303 | G37-T160 VanDerWaalsContact CA-OG1 3.28Å; G37-T160 WeakPolarHBondContact CA-OG1 3.35Å; K40-T160 HydrophobicContact CB-CG2 4Å; E156-T160 WeakPolarHBondContact O-CB 3.42Å; E156-T160 PolarHBondContact O-N 2.93Å; E156-T160 PolarHBondContact O-OG1 2.82Å; C157-T160 PolarHBondContact O-N 3.08Å; T160-S162 VanDerWaalsContact C-N 3.27Å; T160-S162 PolarHBondContact O-N 3.26Å; T160-L163 PolarHBondContact O-N 3.41Å; T160-T164 WeakPolarHBondContact O-CB 3.05Å; T160-T164 PolarHBondContact O-N 2.99Å; T160-T164 PolarHBondContact O-OG1 3.45Å; T160-A303 HydrophobicContact CG2-CB 3.85Å |
| 161 | F | 96.7 | Very high | 95 | Very high | 103 Ų | 103 | 29.9 Ų | 29.9 | 45% | 0.452 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -55.6 | -40.9 | 176.1 | 167.8 | -97.9 | 0 | 0 | 0 | 112.7 | C157 L159 P165 A303 V304 | C157-F161 WeakPolarHBondContact O-CB 3.42Å; C157-F161 PolarHBondContact O-N 3.16Å; L159-F161 PolarHBondContact O-N 3.06Å; F161-P165 WeakPolarHBondContact O-CD 3.41Å; F161-A303 HydrophobicContact CB-CB 4.38Å; F161-V304 HydrophobicContact CB-CG2 4.36Å; F161-V304 HydrophobicContact CD2-CG2 3.54Å; F161-V304 HydrophobicContact CE2-CG2 4.08Å; F161-V304 HydrophobicContact CG-CG2 4.05Å |
| 162 | S | 96.3 | Very high | 95.2 | Very high | 58 Ų | 58 | 29.6 Ų | 29.6 | 41% | 0.406 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -82.2 | -39.3 | -177.5 | -50.8 | 0 | 0 | 0 | 0 | 112.7 | I158 L159 T160 L166 | I158-S162 PolarHBondContact O-N 3.18Å; I158-S162 VanDerWaalsContact O-N 3.1Å; I158-S162 PolarHBondContact O-OG 3.48Å; L159-S162 PolarHBondContact O-N 3.05Å; T160-S162 VanDerWaalsContact C-N 3.27Å; T160-S162 PolarHBondContact O-N 3.26Å; S162-L166 WeakPolarHBondContact O-CB 3.13Å; S162-L166 PolarHBondContact O-N 3.39Å |
| 163 | L | 94.8 | Very high | 95.4 | Very high | 12 Ų | 12 | 33.1 Ų | 33.1 | 6% | 0.063 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -75.2 | -33.2 | -174.5 | -71.8 | 174.7 | 0 | 0 | 0 | 112.1 | V38 L159 T160 L166 F167 L186 | V38-L163 HydrophobicContact CG2-CD1 3.88Å; L159-L163 HydrophobicContact CB-CD1 4.08Å; L159-L163 HydrophobicContact CB-CG 4.42Å; L159-L163 WeakPolarHBondContact O-CA 3.36Å; L159-L163 WeakPolarHBondContact O-CB 3.49Å; L159-L163 WeakPolarHBondContact O-CG 3.19Å; L159-L163 PolarHBondContact O-N 2.87Å; T160-L163 PolarHBondContact O-N 3.41Å; L163-L166 HydrophobicContact CD2-CD2 4.17Å; L163-L166 PolarHBondContact O-N 3.17Å; L163-F167 HydrophobicContact CB-CD2 4.27Å; L163-F167 HydrophobicContact CB-CE2 3.9Å; L163-F167 HydrophobicContact CB-CZ 4.03Å; L163-F167 HydrophobicContact CD1-CE2 4.45Å; L163-F167 HydrophobicContact CD1-CZ 4.18Å; L163-F167 HydrophobicContact CD2-CE1 4.03Å; L163-F167 HydrophobicContact CD2-CZ 3.93Å; L163-F167 HydrophobicContact CG-CZ 4.27Å; L163-F167 WeakPolarHBondContact O-CB 3.35Å; L163-F167 WeakPolarHBondContact O-CD2 3.48Å; L163-F167 WeakPolarHBondContact O-CG 3.37Å; L163-F167 PolarHBondContact O-N 3.4Å; L163-L186 HydrophobicContact CD2-CD1 4.2Å |
| 164 | T | 94.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.6 | -55.3 | -177.8 | -48.2 | 0 | 0 | 0 | 0 | 112.8 | S41 I44 T160 L166 F167 Q168 A296 L299 | S41-T164 PolarHBondContact OG-OG1 2.84Å; I44-T164 HydrophobicContact CD1-CG2 3.52Å; I44-T164 HydrophobicContact CG1-CG2 3.53Å; T160-T164 WeakPolarHBondContact O-CB 3.05Å; T160-T164 PolarHBondContact O-N 2.99Å; T160-T164 PolarHBondContact O-OG1 3.45Å; T164-L166 VanDerWaalsContact C-N 3.31Å; T164-L166 PolarHBondContact O-N 2.83Å; T164-F167 PolarHBondContact O-N 3.33Å; T164-Q168 PolarHBondContact O-N 2.95Å; T164-A296 HydrophobicContact CG2-CB 3.93Å; T164-A296 WeakPolarHBondContact CG2-O 3.42Å; T164-L299 HydrophobicContact CG2-CB 3.9Å; T164-L299 HydrophobicContact CG2-CD1 3.98Å |
| 165 | P | 95.4 | Very high | 95.9 | Very high | 52 Ų | 52 | 39.9 Ų | 39.9 | 34% | 0.338 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -68.2 | -31.6 | 176.2 | 27.6 | -35 | 0 | 0 | 0 | 112.3 | F161 Q168 L169 | F161-P165 WeakPolarHBondContact O-CD 3.41Å; P165-Q168 PolarHBondContact O-N 3.4Å; P165-L169 WeakPolarHBondContact O-CB 3.45Å; P165-L169 PolarHBondContact O-N 3.02Å |
| 166 | L | 95.8 | Very high | 96 | Very high | 68 Ų | 68 | 40.3 Ų | 40.3 | 36% | 0.356 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -62.4 | -46.4 | 174.9 | 177.6 | 63.9 | 0 | 0 | 0 | 111.1 | S162 L163 T164 Q168 L169 L170 L186 | S162-L166 WeakPolarHBondContact O-CB 3.13Å; S162-L166 PolarHBondContact O-N 3.39Å; L163-L166 HydrophobicContact CD2-CD2 4.17Å; L163-L166 PolarHBondContact O-N 3.17Å; T164-L166 VanDerWaalsContact C-N 3.31Å; T164-L166 PolarHBondContact O-N 2.83Å; L166-Q168 VanDerWaalsContact C-N 3.32Å; L166-Q168 PolarHBondContact O-N 3.42Å; L166-L169 PolarHBondContact O-N 2.85Å; L166-L170 HydrophobicContact CD1-CD1 4.29Å; L166-L170 HydrophobicContact CD1-CG 4.15Å; L166-L170 HydrophobicContact CG-CD1 4.06Å; L166-L170 HydrophobicContact CG-CG 4.32Å; L166-L170 WeakPolarHBondContact O-CB 3.45Å; L166-L170 VanDerWaalsContact O-CG 3.23Å; L166-L170 WeakPolarHBondContact O-CG 3.45Å; L166-L170 PolarHBondContact O-N 3.41Å; L166-L186 HydrophobicContact CD2-CD1 4.43Å |
| 167 | F | 96 | Very high | 96.1 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.3 | -39.1 | 177.9 | -68.9 | -23.1 | 0 | 0 | 0 | 111.7 | I44 F45 L163 T164 L170 I171 L183 | I44-F167 HydrophobicContact CB-CB 4.46Å; I44-F167 HydrophobicContact CG2-CB 4.02Å; F45-F167 HydrophobicContact CD2-CD2 4.35Å; F45-F167 HydrophobicContact CE2-CB 4.02Å; F45-F167 HydrophobicContact CE2-CD1 4.1Å; F45-F167 AromaticContact CE2-CD2 3.45Å; F45-F167 HydrophobicContact CE2-CD2 3.45Å; F45-F167 VanDerWaalsContact CE2-CD2 3.45Å; F45-F167 HydrophobicContact CE2-CE1 4.42Å; F45-F167 AromaticContact CE2-CE2 3.8Å; F45-F167 HydrophobicContact CE2-CE2 3.8Å; F45-F167 AromaticContact CE2-CG 3.61Å; F45-F167 HydrophobicContact CE2-CG 3.61Å; F45-F167 HydrophobicContact CE2-CZ 4.29Å; F45-F167 HydrophobicContact CZ-CB 4.2Å; F45-F167 AromaticContact CZ-CD1 3.98Å; F45-F167 HydrophobicContact CZ-CD1 3.98Å; F45-F167 HydrophobicContact CZ-CD2 4.17Å; F45-F167 HydrophobicContact CZ-CE1 4.37Å; F45-F167 AromaticContact CZ-CG 3.87Å; F45-F167 HydrophobicContact CZ-CG 3.87Å; L163-F167 HydrophobicContact CB-CD2 4.27Å; L163-F167 HydrophobicContact CB-CE2 3.9Å; L163-F167 HydrophobicContact CB-CZ 4.03Å; L163-F167 HydrophobicContact CD1-CE2 4.45Å; L163-F167 HydrophobicContact CD1-CZ 4.18Å; L163-F167 HydrophobicContact CD2-CE1 4.03Å; L163-F167 HydrophobicContact CD2-CZ 3.93Å; L163-F167 HydrophobicContact CG-CZ 4.27Å; L163-F167 WeakPolarHBondContact O-CB 3.35Å; L163-F167 WeakPolarHBondContact O-CD2 3.48Å; L163-F167 WeakPolarHBondContact O-CG 3.37Å; L163-F167 PolarHBondContact O-N 3.4Å; T164-F167 PolarHBondContact O-N 3.33Å; F167-L170 HydrophobicContact CD1-CD1 4.43Å; F167-L170 PolarHBondContact O-N 3.23Å; F167-I171 WeakPolarHBondContact O-CB 3.37Å; F167-I171 VanDerWaalsContact O-CG1 3.23Å; F167-I171 WeakPolarHBondContact O-CG1 3.46Å; F167-I171 PolarHBondContact O-N 3.05Å; F167-L183 HydrophobicContact CE1-CD1 4.04Å; F167-L183 HydrophobicContact CZ-CD1 3.73Å; F167-L183 HydrophobicContact CZ-CD2 4.29Å |
| 168 | Q | 96.2 | Very high | 96.2 | Very high | 8 Ų | 8 | 42.8 Ų | 42.8 | 4% | 0.037 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.7 | -52.4 | 173 | -171.1 | 60.7 | 53.2 | 0 | 0 | 111 | I44 T164 P165 L166 L170 I171 D172 E292 Y293 A296 | I44-Q168 HydrophobicContact CG2-CB 4.44Å; T164-Q168 PolarHBondContact O-N 2.95Å; P165-Q168 PolarHBondContact O-N 3.4Å; L166-Q168 VanDerWaalsContact C-N 3.32Å; L166-Q168 PolarHBondContact O-N 3.42Å; Q168-L170 VanDerWaalsContact C-N 3.28Å; Q168-L170 PolarHBondContact O-N 3.41Å; Q168-I171 WeakPolarHBondContact O-CB 3.4Å; Q168-I171 PolarHBondContact O-N 3.14Å; Q168-I171 VanDerWaalsContact O-N 3.08Å; Q168-D172 PolarHBondContact NE2-OD1 2.93Å; Q168-D172 VanDerWaalsContact O-CG 3.24Å; Q168-D172 PolarHBondContact O-N 3.15Å; Q168-D172 VanDerWaalsContact O-OD1 3.06Å; Q168-E292 HydrophobicContact CG-CB 4.02Å; Q168-E292 PolarHBondContact NE2-OE2 3.37Å; Q168-Y293 HydrophobicContact CG-CE1 4.4Å; Q168-Y293 HydrophobicContact CG-CE2 4.37Å; Q168-A296 HydrophobicContact CB-CB 4.33Å |
| 169 | L | 97.1 | Very high | 96.2 | Very high | 81 Ų | 81 | 39.4 Ų | 39.4 | 42% | 0.424 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -58.8 | -39.1 | 178.9 | -180 | 149.3 | 0 | 0 | 0 | 112.9 | P165 L166 S173 | P165-L169 WeakPolarHBondContact O-CB 3.45Å; P165-L169 PolarHBondContact O-N 3.02Å; L166-L169 PolarHBondContact O-N 2.85Å; L169-S173 WeakPolarHBondContact O-CB 3.12Å; L169-S173 PolarHBondContact O-N 3.02Å; L169-S173 VanDerWaalsContact O-N 3.08Å; L169-S173 PolarHBondContact O-OG 3.08Å |
| 170 | L | 96.9 | Very high | 96.2 | Very high | 12 Ų | 12 | 38.4 Ų | 38.4 | 6% | 0.063 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -69 | -36.3 | 177.3 | -70.4 | -179.3 | 0 | 0 | 0 | 112.2 | L166 F167 Q168 F174 A179 I182 | L166-L170 HydrophobicContact CD1-CD1 4.29Å; L166-L170 HydrophobicContact CD1-CG 4.15Å; L166-L170 HydrophobicContact CG-CD1 4.06Å; L166-L170 HydrophobicContact CG-CG 4.32Å; L166-L170 WeakPolarHBondContact O-CB 3.45Å; L166-L170 VanDerWaalsContact O-CG 3.23Å; L166-L170 WeakPolarHBondContact O-CG 3.45Å; L166-L170 PolarHBondContact O-N 3.41Å; F167-L170 HydrophobicContact CD1-CD1 4.43Å; F167-L170 PolarHBondContact O-N 3.23Å; Q168-L170 VanDerWaalsContact C-N 3.28Å; Q168-L170 PolarHBondContact O-N 3.41Å; L170-F174 HydrophobicContact CD2-CD2 3.99Å; L170-F174 HydrophobicContact CD2-CE2 4.1Å; L170-F174 WeakPolarHBondContact O-CA 3.39Å; L170-F174 WeakPolarHBondContact O-CB 3.33Å; L170-F174 PolarHBondContact O-N 3.36Å; L170-A179 HydrophobicContact CB-CB 3.77Å; L170-I182 HydrophobicContact CD1-CB 4.1Å; L170-I182 HydrophobicContact CD1-CD1 4.25Å; L170-I182 HydrophobicContact CD1-CG2 3.73Å; L170-I182 HydrophobicContact CD2-CD1 3.55Å; L170-I182 HydrophobicContact CG-CD1 4.42Å |
| 171 | I | 96.7 | Very high | 96.3 | Very high | 9 Ų | 9 | 42.2 Ų | 42.2 | 5% | 0.046 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.3 | -46.4 | 174.7 | -74.5 | 175.7 | 0 | 0 | 0 | 110.1 | I44 F45 E48 F167 Q168 S173 S175 A179 | I44-I171 HydrophobicContact CG2-CD1 3.68Å; F45-I171 HydrophobicContact CD1-CD1 3.98Å; F45-I171 HydrophobicContact CD1-CG1 4.49Å; F45-I171 HydrophobicContact CE1-CD1 4.25Å; F45-I171 HydrophobicContact CE1-CG1 4.39Å; F45-I171 HydrophobicContact CG-CD1 4.35Å; E48-I171 HydrophobicContact CG-CD1 4.25Å; E48-I171 HydrophobicContact CG-CG2 3.71Å; F167-I171 WeakPolarHBondContact O-CB 3.37Å; F167-I171 VanDerWaalsContact O-CG1 3.23Å; F167-I171 WeakPolarHBondContact O-CG1 3.46Å; F167-I171 PolarHBondContact O-N 3.05Å; Q168-I171 WeakPolarHBondContact O-CB 3.4Å; Q168-I171 PolarHBondContact O-N 3.14Å; Q168-I171 VanDerWaalsContact O-N 3.08Å; I171-S173 VanDerWaalsContact C-N 3.25Å; I171-S173 PolarHBondContact O-N 3.49Å; I171-S175 WeakPolarHBondContact O-CA 3.39Å; I171-S175 PolarHBondContact O-N 3.35Å; I171-A179 HydrophobicContact CG1-CB 3.87Å |
| 172 | D | 95.9 | Very high | 96.4 | Very high | 72 Ų | 72 | 40.5 Ų | 40.5 | 39% | 0.385 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -59.7 | -39.5 | 178.9 | -59.2 | -3.8 | 0 | 0 | 0 | 111.3 | Q168 Y293 | Q168-D172 PolarHBondContact NE2-OD1 2.93Å; Q168-D172 VanDerWaalsContact O-CG 3.24Å; Q168-D172 PolarHBondContact O-N 3.15Å; Q168-D172 VanDerWaalsContact O-OD1 3.06Å; D172-Y293 VanDerWaalsContact OD2-CE2 3.3Å; D172-Y293 WeakPolarHBondContact OD2-CE2 3.49Å; D172-Y293 VanDerWaalsContact OD2-CZ 3.3Å; D172-Y293 PolarHBondContact OD2-OH 3.3Å |
| 173 | S | 96.8 | Very high | 96.4 | Very high | 74 Ų | 74 | 37.9 Ų | 37.9 | 52% | 0.517 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -85.7 | -34.7 | -174.7 | -55.4 | 0 | 0 | 0 | 0 | 113.7 | L169 I171 | L169-S173 WeakPolarHBondContact O-CB 3.12Å; L169-S173 PolarHBondContact O-N 3.02Å; L169-S173 VanDerWaalsContact O-N 3.08Å; L169-S173 PolarHBondContact O-OG 3.08Å; I171-S173 VanDerWaalsContact C-N 3.25Å; I171-S173 PolarHBondContact O-N 3.49Å |
| 174 | F | 95.6 | Very high | 96.6 | Very high | 118 Ų | 118 | 37.3 Ų | 37.3 | 52% | 0.518 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -133.5 | 7.7 | -166.9 | -55.9 | -72.3 | 0 | 0 | 0 | 114.5 | L170 G178 I182 | L170-F174 HydrophobicContact CD2-CD2 3.99Å; L170-F174 HydrophobicContact CD2-CE2 4.1Å; L170-F174 WeakPolarHBondContact O-CA 3.39Å; L170-F174 WeakPolarHBondContact O-CB 3.33Å; L170-F174 PolarHBondContact O-N 3.36Å; F174-G178 WeakPolarHBondContact O-CA 3.41Å; F174-G178 PolarHBondContact O-N 3.48Å; F174-I182 HydrophobicContact CD2-CD1 3.99Å; F174-I182 HydrophobicContact CE2-CD1 4.23Å |
| 175 | S | 95.8 | Very high | 96.7 | Very high | 56 Ų | 56 | 39.1 Ų | 39.1 | 39% | 0.392 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | 62 | 172 | -168.5 | 79.9 | 0 | 0 | 0 | 0 | 114 | I171 R177 G178 A179 | I171-S175 WeakPolarHBondContact O-CA 3.39Å; I171-S175 PolarHBondContact O-N 3.35Å; S175-R177 PolarHBondContact O-N 3.17Å; S175-R177 PolarHBondContact OG-N 3.02Å; S175-G178 PolarHBondContact O-N 2.93Å; S175-A179 WeakPolarHBondContact O-CB 3.21Å; S175-A179 PolarHBondContact O-N 2.89Å |
| 176 | W | 95.7 | Very high | 96.8 | Very high | 9 Ų | 9 | 39 Ų | 39 | 3% | 0.034 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -57 | -30.4 | 174.5 | 70.5 | -97 | 0 | 0 | 0 | 113.2 | F45 E48 I49 Y52 F53 L114 L180 | F45-W176 HydrophobicContact CD1-CB 4.32Å; E48-W176 HydrophobicContact CB-CB 4.18Å; I49-W176 HydrophobicContact CG1-CD2 4.23Å; I49-W176 HydrophobicContact CG1-CE3 4.22Å; Y52-W176 AromaticContact CD1-CZ2 3.79Å; Y52-W176 HydrophobicContact CD1-CZ2 3.79Å; Y52-W176 AromaticContact CD2-NE1 3.69Å; Y52-W176 AromaticContact CE1-CZ2 3.92Å; Y52-W176 HydrophobicContact CE1-CZ2 3.92Å; Y52-W176 HydrophobicContact CG-CZ2 4.2Å; Y52-W176 AromaticContact CG-NE1 3.58Å; F53-W176 AromaticContact CE2-CH2 3.93Å; F53-W176 HydrophobicContact CE2-CH2 3.93Å; F53-W176 AromaticContact CE2-CZ2 3.88Å; F53-W176 HydrophobicContact CE2-CZ2 3.88Å; F53-W176 HydrophobicContact CZ-CH2 4.1Å; F53-W176 HydrophobicContact CZ-CZ2 4.13Å; L114-W176 HydrophobicContact CD1-CH2 4.5Å; L114-W176 HydrophobicContact CD2-CZ3 4.33Å; W176-L180 HydrophobicContact CE3-CD1 3.64Å; W176-L180 HydrophobicContact CE3-CG 4.43Å; W176-L180 HydrophobicContact CZ3-CD1 3.7Å; W176-L180 VanDerWaalsContact O-CG 3.32Å; W176-L180 WeakPolarHBondContact O-CG 3.38Å; W176-L180 PolarHBondContact O-N 3.48Å |
| 177 | R | 97.1 | Very high | 96.8 | Very high | 56 Ų | 56 | 35.8 Ų | 35.8 | 21% | 0.211 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -71.1 | -47.2 | 179.5 | -54.4 | -177.6 | 85 | 91.3 | -1.9 | 111.3 | A106 L107 A108 S175 A179 L180 L181 | A106-R177 VanDerWaalsContact CB-O 3.29Å; A106-R177 WeakPolarHBondContact CB-O 3.45Å; A106-R177 PolarHBondContact O-NE 3.48Å; A106-R177 PolarHBondContact O-NH2 3.38Å; L107-R177 PolarHBondContact O-NH2 2.99Å; A108-R177 VanDerWaalsContact O-CZ 3.27Å; A108-R177 PolarHBondContact O-NH1 3.35Å; A108-R177 PolarHBondContact O-NH2 2.99Å; S175-R177 PolarHBondContact O-N 3.17Å; S175-R177 PolarHBondContact OG-N 3.02Å; R177-A179 VanDerWaalsContact C-N 3.34Å; R177-L180 PolarHBondContact O-N 3.15Å; R177-L181 PolarHBondContact O-N 3.34Å; R177-L181 VanDerWaalsContact O-N 3.1Å |
| 178 | G | 97.1 | Very high | 96.8 | Very high | 14 Ų | 14 | 39.5 Ų | 39.5 | 14% | 0.144 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.2 | -39.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | F174 S175 L180 L181 I182 | F174-G178 WeakPolarHBondContact O-CA 3.41Å; F174-G178 PolarHBondContact O-N 3.48Å; S175-G178 PolarHBondContact O-N 2.93Å; G178-L180 PolarHBondContact O-N 3.33Å; G178-L181 WeakPolarHBondContact O-CB 3.4Å; G178-L181 PolarHBondContact O-N 2.85Å; G178-I182 WeakPolarHBondContact O-CG1 3.37Å; G178-I182 PolarHBondContact O-N 3.49Å |
| 179 | A | 97.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.7 | -41 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | F45 L170 I171 S175 R177 I182 L183 | F45-A179 HydrophobicContact CE1-CB 3.59Å; F45-A179 HydrophobicContact CZ-CB 4.05Å; L170-A179 HydrophobicContact CB-CB 3.77Å; I171-A179 HydrophobicContact CG1-CB 3.87Å; S175-A179 WeakPolarHBondContact O-CB 3.21Å; S175-A179 PolarHBondContact O-N 2.89Å; R177-A179 VanDerWaalsContact C-N 3.34Å; A179-I182 PolarHBondContact O-N 3.34Å; A179-L183 WeakPolarHBondContact O-CB 3.5Å; A179-L183 PolarHBondContact O-N 3.47Å |
| 180 | L | 97.3 | Very high | 96.9 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.6 | -35.8 | 173.7 | -75 | -179.2 | 0 | 0 | 0 | 113.2 | F45 A106 W176 R177 G178 L183 G184 | F45-L180 HydrophobicContact CD1-CD2 4.22Å; F45-L180 HydrophobicContact CD1-CG 4.35Å; F45-L180 HydrophobicContact CE1-CD2 3.94Å; F45-L180 HydrophobicContact CE1-CG 4.07Å; F45-L180 HydrophobicContact CZ-CD2 4.33Å; A106-L180 HydrophobicContact CB-CB 3.82Å; W176-L180 HydrophobicContact CE3-CD1 3.64Å; W176-L180 HydrophobicContact CE3-CG 4.43Å; W176-L180 HydrophobicContact CZ3-CD1 3.7Å; W176-L180 VanDerWaalsContact O-CG 3.32Å; W176-L180 WeakPolarHBondContact O-CG 3.38Å; W176-L180 PolarHBondContact O-N 3.48Å; R177-L180 PolarHBondContact O-N 3.15Å; G178-L180 PolarHBondContact O-N 3.33Å; L180-L183 HydrophobicContact CD2-CD2 4.12Å; L180-L183 WeakPolarHBondContact O-CB 3.37Å; L180-L183 PolarHBondContact O-N 3.42Å; L180-G184 PolarHBondContact O-N 3.34Å |
| 181 | L | 97.7 | Very high | 97 | Very high | 84 Ų | 84 | 39.2 Ų | 39.2 | 44% | 0.44 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -63.5 | -45.2 | 174.2 | -72.6 | 173 | 0 | 0 | 0 | 111.7 | V103 A106 R177 G178 L183 G184 G185 | V103-L181 HydrophobicContact CB-CD2 4.38Å; V103-L181 HydrophobicContact CG1-CD2 3.94Å; V103-L181 HydrophobicContact CG2-CD2 4.31Å; A106-L181 HydrophobicContact CB-CD2 3.76Å; A106-L181 HydrophobicContact CB-CG 3.64Å; R177-L181 PolarHBondContact O-N 3.34Å; R177-L181 VanDerWaalsContact O-N 3.1Å; G178-L181 WeakPolarHBondContact O-CB 3.4Å; G178-L181 PolarHBondContact O-N 2.85Å; L181-L183 VanDerWaalsContact C-N 3.33Å; L181-G184 WeakPolarHBondContact O-CA 3.45Å; L181-G184 PolarHBondContact O-N 3.22Å; L181-G184 VanDerWaalsContact O-N 3.12Å; L181-G185 PolarHBondContact O-N 3.21Å |
| 182 | I | 97.8 | Very high | 97 | Very high | 67 Ų | 67 | 42.1 Ų | 42.1 | 34% | 0.344 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -65.5 | -39.8 | 177.2 | -66 | 167.8 | 0 | 0 | 0 | 110.4 | L170 F174 G178 A179 G184 G185 L186 | L170-I182 HydrophobicContact CD1-CB 4.1Å; L170-I182 HydrophobicContact CD1-CD1 4.25Å; L170-I182 HydrophobicContact CD1-CG2 3.73Å; L170-I182 HydrophobicContact CD2-CD1 3.55Å; L170-I182 HydrophobicContact CG-CD1 4.42Å; F174-I182 HydrophobicContact CD2-CD1 3.99Å; F174-I182 HydrophobicContact CE2-CD1 4.23Å; G178-I182 WeakPolarHBondContact O-CG1 3.37Å; G178-I182 PolarHBondContact O-N 3.49Å; A179-I182 PolarHBondContact O-N 3.34Å; I182-G184 VanDerWaalsContact C-N 3.26Å; I182-G184 PolarHBondContact O-N 3.07Å; I182-G185 WeakPolarHBondContact O-CA 2.96Å; I182-G185 PolarHBondContact O-N 3.37Å; I182-G185 VanDerWaalsContact O-N 3.07Å; I182-L186 PolarHBondContact O-N 2.85Å |
| 183 | L | 97.1 | Very high | 97.1 | Very high | 2 Ų | 2 | 38.9 Ų | 38.9 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.5 | -37.6 | 171.7 | 178.3 | 57.1 | 0 | 0 | 0 | 112 | V38 V102 F167 A179 L180 L181 G185 L186 Q187 | V38-L183 HydrophobicContact CG1-CD1 4.04Å; V38-L183 HydrophobicContact CG1-CD2 3.79Å; V38-L183 HydrophobicContact CG1-CG 4.48Å; V38-L183 HydrophobicContact CG2-CD1 3.88Å; V102-L183 HydrophobicContact CG1-CD2 4.45Å; F167-L183 HydrophobicContact CE1-CD1 4.04Å; F167-L183 HydrophobicContact CZ-CD1 3.73Å; F167-L183 HydrophobicContact CZ-CD2 4.29Å; A179-L183 WeakPolarHBondContact O-CB 3.5Å; A179-L183 PolarHBondContact O-N 3.47Å; L180-L183 HydrophobicContact CD2-CD2 4.12Å; L180-L183 WeakPolarHBondContact O-CB 3.37Å; L180-L183 PolarHBondContact O-N 3.42Å; L181-L183 VanDerWaalsContact C-N 3.33Å; L183-G185 VanDerWaalsContact C-N 3.32Å; L183-G185 PolarHBondContact O-N 3.46Å; L183-L186 PolarHBondContact O-N 2.87Å; L183-Q187 HydrophobicContact CD1-CG 4.13Å; L183-Q187 HydrophobicContact CG-CG 4.45Å; L183-Q187 WeakPolarHBondContact O-CB 3.44Å; L183-Q187 WeakPolarHBondContact O-CG 3.32Å; L183-Q187 PolarHBondContact O-N 2.88Å |
| 184 | G | 97.4 | Very high | 97 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.7 | -40.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | S99 L180 L181 I182 Q187 L188 | S99-G184 WeakPolarHBondContact CB-O 3.47Å; S99-G184 PolarHBondContact OG-O 2.95Å; L180-G184 PolarHBondContact O-N 3.34Å; L181-G184 WeakPolarHBondContact O-CA 3.45Å; L181-G184 PolarHBondContact O-N 3.22Å; L181-G184 VanDerWaalsContact O-N 3.12Å; I182-G184 VanDerWaalsContact C-N 3.26Å; I182-G184 PolarHBondContact O-N 3.07Å; G184-Q187 PolarHBondContact O-N 3.04Å; G184-L188 PolarHBondContact O-N 3.07Å |
| 185 | G | 97.4 | Very high | 96.9 | Very high | 38 Ų | 38 | 34.2 Ų | 34.2 | 39% | 0.392 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -64.1 | -43.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L181 I182 L183 Q187 L188 | L181-G185 PolarHBondContact O-N 3.21Å; I182-G185 WeakPolarHBondContact O-CA 2.96Å; I182-G185 PolarHBondContact O-N 3.37Å; I182-G185 VanDerWaalsContact O-N 3.07Å; L183-G185 VanDerWaalsContact C-N 3.32Å; L183-G185 PolarHBondContact O-N 3.46Å; G185-Q187 VanDerWaalsContact C-N 3.34Å; G185-Q187 PolarHBondContact O-N 3.4Å; G185-L188 WeakPolarHBondContact O-CB 3.24Å; G185-L188 PolarHBondContact O-N 3.16Å |
| 186 | L | 96.9 | Very high | 96.8 | Very high | 51 Ų | 51 | 33.9 Ų | 33.9 | 27% | 0.267 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -61.1 | -42.6 | 176.1 | -69.3 | 174.5 | 0 | 0 | 0 | 111.6 | L163 L166 I182 L183 L188 N189 | L163-L186 HydrophobicContact CD2-CD1 4.2Å; L166-L186 HydrophobicContact CD2-CD1 4.43Å; I182-L186 PolarHBondContact O-N 2.85Å; L183-L186 PolarHBondContact O-N 2.87Å; L186-L188 VanDerWaalsContact C-N 3.3Å; L186-L188 PolarHBondContact O-N 3.2Å; L186-N189 VanDerWaalsContact O-CB 3.27Å; L186-N189 WeakPolarHBondContact O-CB 3.5Å; L186-N189 PolarHBondContact O-N 3.47Å; L186-N189 VanDerWaalsContact O-N 3.14Å; L186-N189 PolarHBondContact O-ND2 3.24Å |
| 187 | Q | 96.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -69.5 | -20.7 | 178.8 | -74.9 | -173.7 | -17.8 | 0 | 0 | 113.9 | C98 V102 N122 Y126 L183 G184 G185 N189 L190 | C98-Q187 HydrophobicContact CB-CB 4.36Å; C98-Q187 PolarHBondContact O-OE1 3.27Å; C98-Q187 VanDerWaalsContact O-OE1 3.08Å; V102-Q187 VanDerWaalsContact CG2-OE1 3.29Å; N122-Q187 PolarHBondContact OD1-NE2 2.94Å; Y126-Q187 PolarHBondContact OH-NE2 3.02Å; L183-Q187 HydrophobicContact CD1-CG 4.13Å; L183-Q187 HydrophobicContact CG-CG 4.45Å; L183-Q187 WeakPolarHBondContact O-CB 3.44Å; L183-Q187 WeakPolarHBondContact O-CG 3.32Å; L183-Q187 PolarHBondContact O-N 2.88Å; G184-Q187 PolarHBondContact O-N 3.04Å; G185-Q187 VanDerWaalsContact C-N 3.34Å; G185-Q187 PolarHBondContact O-N 3.4Å; Q187-N189 PolarHBondContact O-N 2.96Å; Q187-N189 VanDerWaalsContact O-N 3.15Å; Q187-L190 HydrophobicContact CB-CD1 4.34Å; Q187-L190 WeakPolarHBondContact O-CB 3.41Å; Q187-L190 VanDerWaalsContact O-CG 3.3Å; Q187-L190 WeakPolarHBondContact O-CG 3.37Å; Q187-L190 PolarHBondContact O-N 3.21Å |
| 188 | L | 97 | Very high | 96.2 | Very high | 78 Ų | 78 | 38.4 Ų | 38.4 | 41% | 0.408 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -59.6 | -23.8 | 169.8 | -74.1 | 171.8 | 0 | 0 | 0 | 112.5 | L96 S99 G184 G185 L186 L190 C191 | L96-L188 HydrophobicContact CD2-CD2 4.09Å; S99-L188 VanDerWaalsContact CB-CD2 3.47Å; S99-L188 WeakPolarHBondContact OG-CD2 3.5Å; S99-L188 VanDerWaalsContact OG-CG 3.25Å; S99-L188 WeakPolarHBondContact OG-CG 3.13Å; G184-L188 PolarHBondContact O-N 3.07Å; G185-L188 WeakPolarHBondContact O-CB 3.24Å; G185-L188 PolarHBondContact O-N 3.16Å; L186-L188 VanDerWaalsContact C-N 3.3Å; L186-L188 PolarHBondContact O-N 3.2Å; L188-L190 PolarHBondContact O-N 2.71Å; L188-L190 VanDerWaalsContact O-N 3.15Å; L188-C191 WeakPolarHBondContact O-CB 3.35Å; L188-C191 PolarHBondContact O-N 3.13Å |
| 189 | N | 97.7 | Very high | 95.2 | Very high | 78 Ų | 78 | 41.3 Ų | 41.3 | 42% | 0.417 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -63.4 | -16.9 | 173.6 | -67.3 | -78.6 | 0 | 0 | 0 | 113 | L34 L186 Q187 C191 V192 C193 | L34-N189 HydrophobicContact CD1-CB 3.94Å; L186-N189 VanDerWaalsContact O-CB 3.27Å; L186-N189 WeakPolarHBondContact O-CB 3.5Å; L186-N189 PolarHBondContact O-N 3.47Å; L186-N189 VanDerWaalsContact O-N 3.14Å; L186-N189 PolarHBondContact O-ND2 3.24Å; Q187-N189 PolarHBondContact O-N 2.96Å; Q187-N189 VanDerWaalsContact O-N 3.15Å; N189-C191 PolarHBondContact O-N 3.49Å; N189-V192 WeakPolarHBondContact O-CB 3.29Å; N189-V192 PolarHBondContact O-N 3.47Å; N189-V192 VanDerWaalsContact O-N 3.12Å; N189-C193 PolarHBondContact O-N 3.31Å; N189-C193 PolarHBondContact O-SG 3.3Å |
| 190 | L | 97.8 | Very high | 94 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.5 | -30.8 | 168 | -65.5 | 170.1 | 0 | 0 | 0 | 111.7 | V31 L34 T35 C98 T129 Q187 L188 C193 G194 | V31-L190 HydrophobicContact CB-CD2 4.34Å; V31-L190 HydrophobicContact CG2-CD2 3.91Å; L34-L190 HydrophobicContact CB-CD2 3.82Å; L34-L190 HydrophobicContact CB-CG 4.2Å; L34-L190 HydrophobicContact CD1-CD2 4.19Å; L34-L190 HydrophobicContact CD1-CG 4.25Å; T35-L190 HydrophobicContact CG2-CD2 4.44Å; C98-L190 HydrophobicContact CB-CD1 4.08Å; T129-L190 HydrophobicContact CG2-CB 4.17Å; T129-L190 HydrophobicContact CG2-CD1 4.27Å; Q187-L190 HydrophobicContact CB-CD1 4.34Å; Q187-L190 WeakPolarHBondContact O-CB 3.41Å; Q187-L190 VanDerWaalsContact O-CG 3.3Å; Q187-L190 WeakPolarHBondContact O-CG 3.37Å; Q187-L190 PolarHBondContact O-N 3.21Å; L188-L190 PolarHBondContact O-N 2.71Å; L188-L190 VanDerWaalsContact O-N 3.15Å; L190-C193 WeakPolarHBondContact O-CB 3.41Å; L190-C193 PolarHBondContact O-N 3.35Å; L190-G194 PolarHBondContact O-N 2.85Å |
| 191 | C | 97.8 | Very high | 92.1 | Very high | 17 Ų | 17 | 56.2 Ų | 56.2 | 12% | 0.115 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.9 | -40.3 | 173.2 | -57.4 | 0 | 0 | 0 | 0 | 111.3 | I92 L188 N189 C193 G194 M195 | I92-C191 HydrophobicContact CG2-CB 4.45Å; L188-C191 WeakPolarHBondContact O-CB 3.35Å; L188-C191 PolarHBondContact O-N 3.13Å; N189-C191 PolarHBondContact O-N 3.49Å; C191-C193 VanDerWaalsContact C-N 3.32Å; C191-G194 PolarHBondContact O-N 3.46Å; C191-G194 VanDerWaalsContact O-N 3.16Å; C191-M195 WeakPolarHBondContact O-CG 3.09Å; C191-M195 PolarHBondContact O-N 3.09Å |
| 192 | V | 97.4 | Very high | 89.7 | Confident | 69 Ų | 69 | 54.3 Ų | 54.3 | 42% | 0.418 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.2 | -43 | 174.7 | -177.1 | 0 | 0 | 0 | 0 | 110.4 | N189 G194 M195 L196 | N189-V192 WeakPolarHBondContact O-CB 3.29Å; N189-V192 PolarHBondContact O-N 3.47Å; N189-V192 VanDerWaalsContact O-N 3.12Å; V192-G194 VanDerWaalsContact C-N 3.33Å; V192-G194 PolarHBondContact O-N 3.06Å; V192-M195 HydrophobicContact CB-CE 4.24Å; V192-M195 HydrophobicContact CG1-CE 4.43Å; V192-M195 HydrophobicContact CG2-CE 3.99Å; V192-M195 WeakPolarHBondContact O-CB 3.34Å; V192-M195 PolarHBondContact O-N 3.41Å; V192-M195 VanDerWaalsContact O-N 3.12Å; V192-L196 PolarHBondContact O-N 3.39Å |
| 193 | C | 96.4 | Very high | 87.1 | Confident | 5 Ų | 5 | 55.4 Ų | 55.4 | 3% | 0.034 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -56 | -47.8 | 171.7 | -62 | 0 | 0 | 0 | 0 | 111.1 | S27 F30 V31 N189 L190 C191 M195 L196 L197 | S27-C193 WeakPolarHBondContact OG-CA 3.44Å; S27-C193 WeakPolarHBondContact OG-CB 3.23Å; S27-C193 PolarHBondContact OG-O 3.49Å; F30-C193 VanDerWaalsContact CB-SG 3.58Å; V31-C193 HydrophobicContact CG2-CB 3.75Å; N189-C193 PolarHBondContact O-N 3.31Å; N189-C193 PolarHBondContact O-SG 3.3Å; L190-C193 WeakPolarHBondContact O-CB 3.41Å; L190-C193 PolarHBondContact O-N 3.35Å; C191-C193 VanDerWaalsContact C-N 3.32Å; C193-M195 VanDerWaalsContact C-N 3.31Å; C193-M195 PolarHBondContact O-N 3.49Å; C193-L196 WeakPolarHBondContact O-CB 3.47Å; C193-L196 PolarHBondContact O-N 2.86Å; C193-L196 VanDerWaalsContact O-N 3.1Å; C193-L197 PolarHBondContact O-N 3.2Å |
| 194 | G | 94.8 | Very high | 84.5 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -57.9 | -39.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | R88 L190 C191 V192 L196 L197 | R88-G194 VanDerWaalsContact CG-O 3.3Å; R88-G194 WeakPolarHBondContact CG-O 3.18Å; L190-G194 PolarHBondContact O-N 2.85Å; C191-G194 PolarHBondContact O-N 3.46Å; C191-G194 VanDerWaalsContact O-N 3.16Å; V192-G194 VanDerWaalsContact C-N 3.33Å; V192-G194 PolarHBondContact O-N 3.06Å; G194-L196 VanDerWaalsContact C-N 3.29Å; G194-L196 PolarHBondContact O-N 3.01Å; G194-L197 WeakPolarHBondContact O-CB 3.36Å; G194-L197 PolarHBondContact O-N 3.14Å; G194-L197 VanDerWaalsContact O-N 3.15Å |
| 195 | M | 95 | Very high | 82.1 | Confident | 93 Ų | 93 | 70.1 Ų | 70.1 | 46% | 0.458 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64.6 | -31.1 | 176.7 | -69.3 | -168 | -71.5 | 0 | 0 | 113.5 | I92 C191 V192 C193 L197 | I92-M195 HydrophobicContact CD1-CG 3.87Å; I92-M195 HydrophobicContact CG1-CG 4.41Å; C191-M195 WeakPolarHBondContact O-CG 3.09Å; C191-M195 PolarHBondContact O-N 3.09Å; V192-M195 HydrophobicContact CB-CE 4.24Å; V192-M195 HydrophobicContact CG1-CE 4.43Å; V192-M195 HydrophobicContact CG2-CE 3.99Å; V192-M195 WeakPolarHBondContact O-CB 3.34Å; V192-M195 PolarHBondContact O-N 3.41Å; V192-M195 VanDerWaalsContact O-N 3.12Å; C193-M195 VanDerWaalsContact C-N 3.31Å; C193-M195 PolarHBondContact O-N 3.49Å; M195-L197 PolarHBondContact O-N 3.41Å |
| 196 | L | 94 | Very high | 79.3 | Confident | 50 Ų | 50 | 71 Ų | 71 | 26% | 0.262 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -69.6 | -21.6 | 175.8 | -66.8 | 170 | 0 | 0 | 0 | 112.3 | Y20 V192 C193 G194 R198 | Y20-L196 VanDerWaalsContact CE1-O 3.23Å; Y20-L196 WeakPolarHBondContact CE1-O 3.47Å; Y20-L196 PolarHBondContact OH-O 3.49Å; V192-L196 PolarHBondContact O-N 3.39Å; C193-L196 WeakPolarHBondContact O-CB 3.47Å; C193-L196 PolarHBondContact O-N 2.86Å; C193-L196 VanDerWaalsContact O-N 3.1Å; G194-L196 VanDerWaalsContact C-N 3.29Å; G194-L196 PolarHBondContact O-N 3.01Å; L196-R198 PolarHBondContact O-N 2.8Å |
| 197 | L | 90.4 | Very high | 76.4 | Confident | 2 Ų | 2 | 72.6 Ų | 72.6 | 1% | 0.01 | 37% | 0.368 | C | S | . | . | trans | -69.6 | 106.6 | -179.4 | -58.3 | -176.8 | 0 | 0 | 0 | 111.2 | I24 R88 V91 T133 M136 C193 G194 M195 | I24-L197 HydrophobicContact CD1-CD2 3.88Å; I24-L197 HydrophobicContact CG2-CD2 4.3Å; R88-L197 HydrophobicContact CB-CB 4.41Å; V91-L197 HydrophobicContact CB-CD1 4.1Å; V91-L197 HydrophobicContact CG1-CD1 4.42Å; V91-L197 HydrophobicContact CG2-CD1 3.58Å; T133-L197 HydrophobicContact CG2-CD2 4.38Å; M136-L197 HydrophobicContact CB-CD2 4.23Å; M136-L197 HydrophobicContact CG-CD1 4.47Å; M136-L197 HydrophobicContact CG-CD2 4.48Å; C193-L197 PolarHBondContact O-N 3.2Å; G194-L197 WeakPolarHBondContact O-CB 3.36Å; G194-L197 PolarHBondContact O-N 3.14Å; G194-L197 VanDerWaalsContact O-N 3.15Å; M195-L197 PolarHBondContact O-N 3.41Å | ||
| 198 | R | 88.4 | Confident | 73.8 | Confident | 157 Ų | 157 | 77.1 Ų | 77.1 | 59% | 0.592 | 40% | 0.395 | S | S | * | . | trans | -99.3 | 116 | 175.7 | -173.3 | 175.9 | -174.1 | 178 | 2.4 | 109.7 | Y20 M136 Y140 L196 L200 | Y20-R198 HydrophobicContact CD1-CB 4.15Å; Y20-R198 HydrophobicContact CE1-CB 3.51Å; M136-R198 WeakPolarHBondContact CE-O 3.34Å; Y140-R198 WeakPolarHBondContact CE2-O 3.47Å; Y140-R198 PolarHBondContact OH-O 2.84Å; L196-R198 PolarHBondContact O-N 2.8Å; R198-L200 PolarHBondContact O-N 3.21Å | ||
| 199 | P | 76.8 | Confident | 71.3 | Confident | 75 Ų | 75 | 78.3 Ų | 78.3 | 49% | 0.487 | 40% | 0.401 | S | S | . | . | trans | -61 | 128.2 | 175 | 23.8 | -30.7 | 0 | 0 | 0 | 109.5 | R201 | P199-R201 PolarHBondContact O-N 3.4Š| ||
| 200 | L | 72 | Confident | 68.3 | Low | 68 Ų | 68 | 81.3 Ų | 81.3 | 36% | 0.356 | 41% | 0.406 | S | S | . | . | trans | -65.8 | 118.9 | 171.3 | -70.5 | 170.4 | 0 | 0 | 0 | 107.5 | P16 L139 Y140 R198 A202 | P16-L200 HydrophobicContact CG-CD2 4.01Å; L139-L200 HydrophobicContact CB-CD1 4.21Å; L139-L200 WeakPolarHBondContact O-CD1 3.28Å; Y140-L200 HydrophobicContact CD1-CD2 4.2Å; Y140-L200 HydrophobicContact CD2-CD1 3.78Å; Y140-L200 HydrophobicContact CD2-CD2 4.39Å; Y140-L200 HydrophobicContact CD2-CG 3.95Å; Y140-L200 HydrophobicContact CE1-CD2 3.6Å; Y140-L200 HydrophobicContact CE1-CG 4.19Å; Y140-L200 HydrophobicContact CE2-CD1 3.84Å; Y140-L200 HydrophobicContact CE2-CD2 3.81Å; Y140-L200 HydrophobicContact CE2-CG 3.45Å; Y140-L200 VanDerWaalsContact CE2-CG 3.45Å; Y140-L200 HydrophobicContact CG-CD1 4.18Å; R198-L200 PolarHBondContact O-N 3.21Å; L200-A202 PolarHBondContact O-N 2.76Å | ||
| 201 | R | 58.1 | Low | 65.4 | Low | 247 Ų | 247 | 88 Ų | 88 | 93% | 0.932 | 44% | 0.435 | S | S | * | . | trans | -69.7 | 102.5 | 166 | -82.1 | -177.4 | 176 | 170.7 | -1.7 | 107.3 | P199 | P199-R201 PolarHBondContact O-N 3.4Š| ||
| 202 | A | 47.6 | Very low | 62.7 | Low | 43 Ų | 43 | 90.1 Ų | 90.1 | 36% | 0.355 | 45% | 0.448 | S | S | . | . | trans | -139.6 | 123.8 | 167 | 0 | 0 | 0 | 0 | 0 | 110.6 | A13 L200 R204 | A13-A202 HydrophobicContact CB-CB 3.93Å; L200-A202 PolarHBondContact O-N 2.76Å; A202-R204 PolarHBondContact O-N 3.28Å | ||
| 203 | P | 42.1 | Very low | 59.7 | Low | 91 Ų | 91 | 92.6 Ų | 92.6 | 59% | 0.591 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | 61.4 | 177.2 | 33.8 | -34.3 | 0 | 0 | 0 | 110.7 | A206 | P203-A206 HydrophobicContact CB-CB 4.39Š|
| 204 | R | 43.8 | Very low | 56.7 | Low | 185 Ų | 185 | 96.5 Ų | 96.5 | 70% | 0.698 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | -39.5 | 170 | -105.5 | -178.7 | 173.7 | 173.1 | -2.8 | 111.4 | A202 A206 N207 V208 | A202-R204 PolarHBondContact O-N 3.28Å; R204-A206 VanDerWaalsContact C-N 3.34Å; R204-A206 PolarHBondContact O-N 3.44Å; R204-N207 PolarHBondContact O-N 2.73Å; R204-V208 WeakPolarHBondContact O-CG2 3.05Å; R204-V208 PolarHBondContact O-N 3.47Å |
| 205 | D | 45.5 | Very low | 53.9 | Low | 126 Ų | 126 | 102.1 Ų | 102.1 | 67% | 0.674 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -66.5 | -40 | 171.7 | -66.4 | -24.9 | 0 | 0 | 0 | 110.8 | N207 V208 I209 | D205-N207 PolarHBondContact O-N 3.47Å; D205-V208 PolarHBondContact O-N 2.88Å; D205-I209 HydrophobicContact CB-CD1 4.17Å; D205-I209 WeakPolarHBondContact O-CB 3.49Å; D205-I209 VanDerWaalsContact O-CD1 3.25Å; D205-I209 WeakPolarHBondContact O-CD1 3.16Å; D205-I209 WeakPolarHBondContact O-CG1 3.33Å; D205-I209 PolarHBondContact O-N 3.05Å |
| 206 | A | 39.1 | Very low | 50.9 | Low | 57 Ų | 57 | 102.8 Ų | 102.8 | 47% | 0.471 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.8 | -33.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | P203 R204 R210 | P203-A206 HydrophobicContact CB-CB 4.39Å; R204-A206 VanDerWaalsContact C-N 3.34Å; R204-A206 PolarHBondContact O-N 3.44Å; A206-R210 WeakPolarHBondContact O-CA 3.38Å; A206-R210 WeakPolarHBondContact O-CB 3.37Å; A206-R210 PolarHBondContact O-N 2.66Å |
| 207 | N | 35.7 | Very low | 48 | Very low | 84 Ų | 84 | 106.1 Ų | 106.1 | 45% | 0.449 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -85.3 | -26.3 | 178.5 | -85 | -13 | 0 | 0 | 0 | 113.2 | R204 D205 K211 | R204-N207 PolarHBondContact O-N 2.73Å; D205-N207 PolarHBondContact O-N 3.47Å; N207-K211 WeakPolarHBondContact O-CB 3.38Å; N207-K211 VanDerWaalsContact O-CG 3.27Å; N207-K211 WeakPolarHBondContact O-CG 3.43Å; N207-K211 PolarHBondContact O-N 2.77Å |
| 208 | V | 43.3 | Very low | 45.2 | Very low | 95 Ų | 95 | 109.5 Ų | 109.5 | 58% | 0.576 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -72.6 | -43.7 | 168.2 | 175.2 | 0 | 0 | 0 | 0 | 109.3 | R204 D205 R210 V212 | R204-V208 WeakPolarHBondContact O-CG2 3.05Å; R204-V208 PolarHBondContact O-N 3.47Å; D205-V208 PolarHBondContact O-N 2.88Å; V208-R210 PolarHBondContact O-N 3.27Å; V208-V212 VanDerWaalsContact O-CB 3.27Å; V208-V212 WeakPolarHBondContact O-CB 3.38Å; V208-V212 WeakPolarHBondContact O-CG2 3.02Å; V208-V212 PolarHBondContact O-N 2.94Å |
| 209 | I | 43.3 | Very low | 42.6 | Very low | 102 Ų | 102 | 107.4 Ų | 107.4 | 52% | 0.523 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -67.5 | -33.8 | 173.9 | -64.2 | 165.1 | 0 | 0 | 0 | 111.5 | D205 K213 | D205-I209 HydrophobicContact CB-CD1 4.17Å; D205-I209 WeakPolarHBondContact O-CB 3.49Å; D205-I209 VanDerWaalsContact O-CD1 3.25Å; D205-I209 WeakPolarHBondContact O-CD1 3.16Å; D205-I209 WeakPolarHBondContact O-CG1 3.33Å; D205-I209 PolarHBondContact O-N 3.05Å; I209-K213 WeakPolarHBondContact O-CB 3.17Å; I209-K213 PolarHBondContact O-N 2.82Å |
| 210 | R | 36.1 | Very low | 40.5 | Very low | 141 Ų | 141 | 110.3 Ų | 110.3 | 53% | 0.532 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -79.8 | -35.2 | 177.2 | -166 | -176.3 | 113.2 | 164.4 | 11.2 | 112.5 | A206 V208 V212 K213 E214 | A206-R210 WeakPolarHBondContact O-CA 3.38Å; A206-R210 WeakPolarHBondContact O-CB 3.37Å; A206-R210 PolarHBondContact O-N 2.66Å; V208-R210 PolarHBondContact O-N 3.27Å; R210-V212 VanDerWaalsContact C-N 3.34Å; R210-K213 CarbonylContact O-C 3.57Å; R210-K213 PolarHBondContact O-N 2.97Å; R210-E214 HydrophobicContact CG-CG 4.29Å; R210-E214 IonicContact CZ-OE1 3.14Å; R210-E214 IonicContact NE-OE1 2.75Å; R210-E214 PolarHBondContact NE-OE1 2.72Å; R210-E214 IonicContact NH2-OE1 2.78Å; R210-E214 PolarHBondContact NH2-OE1 2.64Å; R210-E214 VanDerWaalsContact O-CB 3.26Å; R210-E214 WeakPolarHBondContact O-CB 3.48Å; R210-E214 VanDerWaalsContact O-CG 3.29Å; R210-E214 WeakPolarHBondContact O-CG 3.42Å; R210-E214 PolarHBondContact O-N 3.5Å |
| 211 | K | 35.8 | Very low | 38.5 | Very low | 140 Ų | 140 | 115.6 Ų | 115.6 | 61% | 0.609 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -65.6 | -39.3 | 168.2 | -82.8 | -173.4 | 170.4 | -162.9 | 0 | 111.3 | N207 K213 E214 E215 | N207-K211 WeakPolarHBondContact O-CB 3.38Å; N207-K211 VanDerWaalsContact O-CG 3.27Å; N207-K211 WeakPolarHBondContact O-CG 3.43Å; N207-K211 PolarHBondContact O-N 2.77Å; K211-K213 VanDerWaalsContact C-N 3.34Å; K211-E214 PolarHBondContact O-N 3.45Å; K211-E215 WeakPolarHBondContact O-CB 3.32Å; K211-E215 WeakPolarHBondContact O-CG 3.37Å; K211-E215 PolarHBondContact O-N 3.07Å |
| 212 | V | 41.7 | Very low | 37.2 | Very low | 62 Ų | 62 | 106.3 Ų | 106.3 | 38% | 0.376 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.5 | -37.5 | 171.3 | 170.7 | 0 | 0 | 0 | 0 | 110.8 | V208 R210 E216 | V208-V212 VanDerWaalsContact O-CB 3.27Å; V208-V212 WeakPolarHBondContact O-CB 3.38Å; V208-V212 WeakPolarHBondContact O-CG2 3.02Å; V208-V212 PolarHBondContact O-N 2.94Å; R210-V212 VanDerWaalsContact C-N 3.34Å; V212-E216 HydrophobicContact CG1-CG 4.32Å; V212-E216 WeakPolarHBondContact O-CA 3.13Å; V212-E216 WeakPolarHBondContact O-CB 3.49Å; V212-E216 WeakPolarHBondContact O-CG 3.44Å; V212-E216 PolarHBondContact O-N 2.84Å |
| 213 | K | 34.1 | Very low | 36.3 | Very low | 121 Ų | 121 | 109.1 Ų | 109.1 | 53% | 0.526 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -70.5 | -37.5 | 172.9 | -94 | -174.8 | 167.2 | -168.1 | 0 | 114.1 | I209 R210 K211 E217 | I209-K213 WeakPolarHBondContact O-CB 3.17Å; I209-K213 PolarHBondContact O-N 2.82Å; R210-K213 CarbonylContact O-C 3.57Å; R210-K213 PolarHBondContact O-N 2.97Å; K211-K213 VanDerWaalsContact C-N 3.34Å; K213-E217 VanDerWaalsContact O-CB 3.25Å; K213-E217 WeakPolarHBondContact O-CB 3.44Å; K213-E217 VanDerWaalsContact O-CG 3.3Å; K213-E217 WeakPolarHBondContact O-CG 3.44Å; K213-E217 PolarHBondContact O-N 3.41Å |
| 214 | E | 33.1 | Very low | 35.6 | Very low | 88 Ų | 88 | 111.7 Ų | 111.7 | 41% | 0.411 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -74.4 | -34.8 | 177.6 | -76.8 | 170.3 | 179.1 | 0 | 0 | 110.1 | R210 K211 S218 | R210-E214 HydrophobicContact CG-CG 4.29Å; R210-E214 IonicContact CZ-OE1 3.14Å; R210-E214 IonicContact NE-OE1 2.75Å; R210-E214 PolarHBondContact NE-OE1 2.72Å; R210-E214 IonicContact NH2-OE1 2.78Å; R210-E214 PolarHBondContact NH2-OE1 2.64Å; R210-E214 VanDerWaalsContact O-CB 3.26Å; R210-E214 WeakPolarHBondContact O-CB 3.48Å; R210-E214 VanDerWaalsContact O-CG 3.29Å; R210-E214 WeakPolarHBondContact O-CG 3.42Å; R210-E214 PolarHBondContact O-N 3.5Å; K211-E214 PolarHBondContact O-N 3.45Å; E214-S218 VanDerWaalsContact O-CB 3.25Å; E214-S218 WeakPolarHBondContact O-CB 3.29Å; E214-S218 PolarHBondContact O-N 3.44Å; E214-S218 PolarHBondContact O-OG 3.08Å |
| 215 | E | 36.1 | Very low | 35 | Very low | 117 Ų | 117 | 111.6 Ų | 111.6 | 55% | 0.547 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -66.8 | -47 | 167.4 | -78.8 | 173.1 | 170.1 | 0 | 0 | 110.3 | K211 E217 S218 L219 | K211-E215 WeakPolarHBondContact O-CB 3.32Å; K211-E215 WeakPolarHBondContact O-CG 3.37Å; K211-E215 PolarHBondContact O-N 3.07Å; E215-E217 PolarHBondContact O-N 3.47Å; E215-S218 WeakPolarHBondContact CA-OG 3.38Å; E215-S218 PolarHBondContact O-N 2.98Å; E215-S218 PolarHBondContact O-OG 3.46Å; E215-L219 WeakPolarHBondContact O-CB 3.47Å; E215-L219 WeakPolarHBondContact O-CD1 3.46Å; E215-L219 PolarHBondContact O-N 3.27Å |
| 216 | E | 33.1 | Very low | 34.4 | Very low | 107 Ų | 107 | 114 Ų | 114 | 50% | 0.5 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -60.3 | -38.4 | 174 | -80.6 | 171.7 | 168.5 | 0 | 0 | 112.5 | V212 Q220 | V212-E216 HydrophobicContact CG1-CG 4.32Å; V212-E216 WeakPolarHBondContact O-CA 3.13Å; V212-E216 WeakPolarHBondContact O-CB 3.49Å; V212-E216 WeakPolarHBondContact O-CG 3.44Å; V212-E216 PolarHBondContact O-N 2.84Å; E216-Q220 VanDerWaalsContact O-CB 3.3Å; E216-Q220 WeakPolarHBondContact O-CB 3.32Å; E216-Q220 WeakPolarHBondContact O-CG 3.45Å; E216-Q220 PolarHBondContact O-N 3.29Å |
| 217 | E | 32.7 | Very low | 33.8 | Very low | 120 Ų | 120 | 116.7 Ų | 116.7 | 56% | 0.561 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -74.7 | -29.2 | 175.7 | -80.5 | 177.1 | -174.4 | 0 | 0 | 112.5 | K213 E215 K221 | K213-E217 VanDerWaalsContact O-CB 3.25Å; K213-E217 WeakPolarHBondContact O-CB 3.44Å; K213-E217 VanDerWaalsContact O-CG 3.3Å; K213-E217 WeakPolarHBondContact O-CG 3.44Å; K213-E217 PolarHBondContact O-N 3.41Å; E215-E217 PolarHBondContact O-N 3.47Å; E217-K221 PolarHBondContact O-N 3.03Å |
| 218 | S | 31.4 | Very low | 33.4 | Very low | 74 Ų | 74 | 122.1 Ų | 122.1 | 52% | 0.517 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -77 | -35 | 173.6 | 73.3 | 0 | 0 | 0 | 0 | 112.7 | E214 E215 G222 | E214-S218 VanDerWaalsContact O-CB 3.25Å; E214-S218 WeakPolarHBondContact O-CB 3.29Å; E214-S218 PolarHBondContact O-N 3.44Å; E214-S218 PolarHBondContact O-OG 3.08Å; E215-S218 WeakPolarHBondContact CA-OG 3.38Å; E215-S218 PolarHBondContact O-N 2.98Å; E215-S218 PolarHBondContact O-OG 3.46Å; S218-G222 PolarHBondContact O-N 3.2Å |
| 219 | L | 32.5 | Very low | 32.7 | Very low | 113 Ų | 113 | 129.2 Ų | 129.2 | 59% | 0.592 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -70.8 | -37.4 | 171.9 | -87.5 | 138.8 | 0 | 0 | 0 | 111.1 | E215 K221 G222 D223 | E215-L219 WeakPolarHBondContact O-CB 3.47Å; E215-L219 WeakPolarHBondContact O-CD1 3.46Å; E215-L219 PolarHBondContact O-N 3.27Å; L219-K221 VanDerWaalsContact C-N 3.32Å; L219-K221 PolarHBondContact O-N 3.45Å; L219-G222 PolarHBondContact O-N 2.88Å; L219-D223 PolarHBondContact O-N 3.2Å |
| 220 | Q | 32.8 | Very low | 31.8 | Very low | 136 Ų | 136 | 128.1 Ų | 128.1 | 64% | 0.636 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -67.5 | -25.2 | 174.8 | -89.7 | -178 | -17 | 0 | 0 | 114.8 | E216 | E216-Q220 VanDerWaalsContact O-CB 3.3Å; E216-Q220 WeakPolarHBondContact O-CB 3.32Å; E216-Q220 WeakPolarHBondContact O-CG 3.45Å; E216-Q220 PolarHBondContact O-N 3.29Å |
| 221 | K | 30.6 | Very low | 31.3 | Very low | 179 Ų | 179 | 129.6 Ų | 129.6 | 78% | 0.778 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -81.2 | -26.7 | 174.8 | -82.9 | -178.7 | 177.7 | 175.7 | 0 | 113.1 | E217 L219 | E217-K221 PolarHBondContact O-N 3.03Å; L219-K221 VanDerWaalsContact C-N 3.32Å; L219-K221 PolarHBondContact O-N 3.45Å |
| 222 | G | 31.2 | Very low | 30.8 | Very low | 51 Ų | 51 | 132 Ų | 132 | 53% | 0.526 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -70.3 | -34.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | S218 L219 L224 | S218-G222 PolarHBondContact O-N 3.2Å; L219-G222 PolarHBondContact O-N 2.88Å; G222-L224 VanDerWaalsContact C-N 3.34Å; G222-L224 PolarHBondContact O-N 3.14Å |
| 223 | D | 29.1 | Very low | 30.5 | Very low | 102 Ų | 102 | 136 Ų | 136 | 55% | 0.545 | 67% | 0.672 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.5 | -5.6 | -176.5 | -72.7 | -20.6 | 0 | 0 | 0 | 114.6 | L219 | L219-D223 PolarHBondContact O-N 3.2Š|
| 224 | L | 27.5 | Very low | 30.1 | Very low | 145 Ų | 145 | 139.5 Ų | 139.5 | 76% | 0.759 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | -13.2 | -176.1 | -141.1 | 83.8 | 0 | 0 | 0 | 114.2 | G222 | G222-L224 VanDerWaalsContact C-N 3.34Å; G222-L224 PolarHBondContact O-N 3.14Å |
| 225 | E | 30.6 | Very low | 30.5 | Very low | 183 Ų | 183 | 142 Ų | 142 | 86% | 0.855 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.7 | -28 | 177.6 | -74.9 | -119.2 | 135.2 | 0 | 0 | 113.3 | ||
| 226 | E | 32.3 | Very low | 30.1 | Very low | 176 Ų | 176 | 139.6 Ų | 139.6 | 82% | 0.822 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.8 | -17.5 | -174.8 | -101.4 | -177.9 | 156.8 | 0 | 0 | 114.9 | K228 | E226-K228 PolarHBondContact O-N 3.23Š|
| 227 | T | 26.6 | Very low | 30.4 | Very low | 114 Ų | 114 | 138.8 Ų | 138.8 | 70% | 0.699 | 72% | 0.723 | S | S | * | * | trans | -106.7 | 51.6 | -173 | -43.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 228 | K | 28.5 | Very low | 30.7 | Very low | 198 Ų | 198 | 142.2 Ų | 142.2 | 86% | 0.861 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -99.1 | 6.4 | 166 | -101.8 | -177.9 | 179.8 | 172.1 | 0 | 114.4 | E226 | E226-K228 PolarHBondContact O-N 3.23Š|
| 229 | R | 26.9 | Very low | 30.7 | Very low | 244 Ų | 244 | 149.1 Ų | 149.1 | 92% | 0.921 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -128.3 | 105.1 | 175.5 | -81 | -177.5 | 168.9 | 177.9 | -2.2 | 110.7 | ||
| 230 | G | 25.8 | Very low | 30.8 | Very low | 80 Ų | 80 | 148 Ų | 148 | 83% | 0.825 | 75% | 0.748 | S | S | * | * | trans | 134.4 | 66.5 | 165.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 231 | F | 26 | Very low | 30.9 | Very low | 171 Ų | 171 | 148.4 Ų | 148.4 | 75% | 0.75 | 75% | 0.75 | S | S | * | * | trans | -18.6 | 133.4 | 160 | -142.7 | -137.5 | 0 | 0 | 0 | 121.1 | ||||
| 232 | R | 24.9 | Very low | 31.1 | Very low | 190 Ų | 190 | 145.7 Ų | 145.7 | 72% | 0.717 | 74% | 0.744 | S | S | * | * | 95.7 | 105.8 | 129.6 | -141.9 | 179 | -90.5 | -153.8 | 0.5 | 120.6 | |||||
| 233 | L | 35.2 | Very low | 31.1 | Very low | 146 Ų | 146 | 151.9 Ų | 151.9 | 76% | 0.764 | 75% | 0.751 | S | S | * | * | trans | 22.8 | 123.1 | 147.1 | -74.5 | 113.9 | 0 | 0 | 0 | 120 | ||||
| 234 | E | 26.2 | Very low | 31.4 | Very low | 196 Ų | 196 | 151 Ų | 151 | 92% | 0.916 | 75% | 0.75 | S | S | * | * | -148.3 | 132.7 | 118.1 | -92.4 | -167 | 167.5 | 0 | 0 | 110.8 | |||||
| 235 | T | 41.5 | Very low | 32 | Very low | 139 Ų | 139 | 153 Ų | 153 | 85% | 0.853 | 75% | 0.747 | S | S | * | * | trans | -77.4 | 122.6 | 178.3 | 42.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 236 | G | 27.7 | Very low | 32.6 | Very low | 67 Ų | 67 | 148.1 Ų | 148.1 | 69% | 0.691 | 73% | 0.73 | S | S | * | * | trans | -132.7 | 155.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 237 | P | 38.5 | Very low | 33.1 | Very low | 91 Ų | 91 | 144.9 Ų | 144.9 | 59% | 0.591 | 71% | 0.714 | S | S | * | * | trans | -96.1 | 155.9 | -137 | 35.8 | -35.2 | 0 | 0 | 0 | 115.9 | R239 T240 | P237-R239 HydrophobicContact CG-CB 4.5Å; P237-R239 PolarHBondContact O-N 3.47Å; P237-T240 PolarHBondContact O-N 3.33Å; P237-T240 VanDerWaalsContact O-N 3.08Å; P237-T240 PolarHBondContact O-OG1 3.31Å | ||
| 238 | K | 38.8 | Very low | 34 | Very low | 191 Ų | 191 | 147.5 Ų | 147.5 | 83% | 0.83 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -47.9 | -15.3 | 173.1 | -71.4 | 179.1 | 176.4 | 176.2 | 0 | 116 | T240 | K238-T240 VanDerWaalsContact C-N 3.3Å; K238-T240 PolarHBondContact O-N 3.04Å |
| 239 | R | 32.4 | Very low | 35 | Very low | 220 Ų | 220 | 147.4 Ų | 147.4 | 83% | 0.83 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -68.6 | -27.1 | 177.9 | -155.4 | 175.9 | -174.8 | -175.2 | 1.3 | 112.6 | P237 R243 | P237-R239 HydrophobicContact CG-CB 4.5Å; P237-R239 PolarHBondContact O-N 3.47Å; R239-R243 PolarHBondContact O-N 3.48Å |
| 240 | T | 32.9 | Very low | 36.6 | Very low | 88 Ų | 88 | 137.6 Ų | 137.6 | 54% | 0.54 | 68% | 0.681 | S | S | . | * | H | α-helix | trans | -72.7 | -38.1 | -179.6 | -36.5 | 0 | 0 | 0 | 0 | 111.3 | P237 K238 L242 R243 T244 | P237-T240 PolarHBondContact O-N 3.33Å; P237-T240 VanDerWaalsContact O-N 3.08Å; P237-T240 PolarHBondContact O-OG1 3.31Å; K238-T240 VanDerWaalsContact C-N 3.3Å; K238-T240 PolarHBondContact O-N 3.04Å; T240-L242 PolarHBondContact O-N 2.68Å; T240-R243 WeakPolarHBondContact O-CB 3.38Å; T240-R243 PolarHBondContact O-N 2.87Å; T240-T244 PolarHBondContact O-N 3.49Å; T240-T244 VanDerWaalsContact O-N 3.12Å; T240-T244 PolarHBondContact O-OG1 2.94Å |
| 241 | Q | 35 | Very low | 38.6 | Very low | 145 Ų | 145 | 136.2 Ų | 136.2 | 68% | 0.678 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -68.4 | -32.4 | -179.7 | -71.9 | -175.9 | -10.5 | 0 | 0 | 114.2 | R245 | Q241-R245 PolarHBondContact O-N 3.01Å |
| 242 | L | 36.6 | Very low | 40.9 | Very low | 123 Ų | 123 | 134.4 Ų | 134.4 | 64% | 0.644 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -71.5 | -35.6 | 174.7 | -158.2 | 78.9 | 0 | 0 | 0 | 111.1 | T240 R245 V246 | T240-L242 PolarHBondContact O-N 2.68Å; L242-R245 PolarHBondContact O-N 3.22Å; L242-V246 WeakPolarHBondContact O-CG2 3.46Å; L242-V246 PolarHBondContact O-N 3.26Å |
| 243 | R | 30.7 | Very low | 43.3 | Very low | 181 Ų | 181 | 129.1 Ų | 129.1 | 68% | 0.683 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -67.4 | -39.5 | 178.3 | -164 | 177.3 | 175 | -168.2 | -2 | 111.6 | R239 T240 V246 Q247 | R239-R243 PolarHBondContact O-N 3.48Å; T240-R243 WeakPolarHBondContact O-CB 3.38Å; T240-R243 PolarHBondContact O-N 2.87Å; R243-V246 PolarHBondContact O-N 3.38Å; R243-Q247 WeakPolarHBondContact O-CB 3.37Å; R243-Q247 WeakPolarHBondContact O-CG 3.31Å; R243-Q247 PolarHBondContact O-N 3.1Å; R243-Q247 PolarHBondContact O-OE1 3.46Å |
| 244 | T | 35.1 | Very low | 45.4 | Very low | 84 Ų | 84 | 122.2 Ų | 122.2 | 52% | 0.515 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -68.1 | -35.9 | 174.1 | -2.9 | 0 | 0 | 0 | 0 | 112.5 | T240 Q247 H248 | T240-T244 PolarHBondContact O-N 3.49Å; T240-T244 VanDerWaalsContact O-N 3.12Å; T240-T244 PolarHBondContact O-OG1 2.94Å; T244-Q247 PolarHBondContact O-N 3.3Å; T244-H248 PolarHBondContact O-N 3Å |
| 245 | R | 39.4 | Very low | 48 | Very low | 186 Ų | 186 | 116.6 Ų | 116.6 | 70% | 0.702 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -67.8 | -37.3 | 175 | -81.6 | -176 | 176.6 | 173.7 | 0.9 | 113.2 | Q241 L242 Y249 | Q241-R245 PolarHBondContact O-N 3.01Å; L242-R245 PolarHBondContact O-N 3.22Å; R245-Y249 WeakPolarHBondContact O-CD2 3.2Å |
| 246 | V | 44.5 | Very low | 50 | Low | 81 Ų | 81 | 115.3 Ų | 115.3 | 49% | 0.491 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -71.7 | -37.1 | 175.9 | 174.3 | 0 | 0 | 0 | 0 | 111.5 | L242 R243 H248 Y249 V250 | L242-V246 WeakPolarHBondContact O-CG2 3.46Å; L242-V246 PolarHBondContact O-N 3.26Å; R243-V246 PolarHBondContact O-N 3.38Å; V246-H248 PolarHBondContact O-N 3.19Å; V246-Y249 PolarHBondContact O-N 3.08Å; V246-Y249 VanDerWaalsContact O-N 3.14Å; V246-V250 HydrophobicContact CG1-CG2 4.2Å; V246-V250 PolarHBondContact O-N 3.1Å |
| 247 | Q | 42 | Very low | 52.8 | Low | 107 Ų | 107 | 114.4 Ų | 114.4 | 50% | 0.5 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61.5 | -26.8 | 177 | -82.2 | 173.3 | -39.8 | 0 | 0 | 113.6 | R243 T244 Y249 | R243-Q247 WeakPolarHBondContact O-CB 3.37Å; R243-Q247 WeakPolarHBondContact O-CG 3.31Å; R243-Q247 PolarHBondContact O-N 3.1Å; R243-Q247 PolarHBondContact O-OE1 3.46Å; T244-Q247 PolarHBondContact O-N 3.3Å; Q247-Y249 VanDerWaalsContact C-N 3.34Å |
| 248 | H | 46.1 | Very low | 55.1 | Low | 170 Ų | 170 | 111.9 Ų | 111.9 | 79% | 0.787 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -15.3 | 178.3 | -152.4 | -62.9 | 0 | 0 | 0 | 113.8 | T244 V246 | T244-H248 PolarHBondContact O-N 3Å; V246-H248 PolarHBondContact O-N 3.19Å |
| 249 | Y | 49.6 | Very low | 57.5 | Low | 196 Ų | 196 | 106.9 Ų | 106.9 | 77% | 0.769 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.3 | -18.1 | 178.2 | -80.3 | -86.1 | 0 | 0 | 0 | 113.7 | R245 V246 Q247 | R245-Y249 WeakPolarHBondContact O-CD2 3.2Å; V246-Y249 PolarHBondContact O-N 3.08Å; V246-Y249 VanDerWaalsContact O-N 3.14Å; Q247-Y249 VanDerWaalsContact C-N 3.34Å |
| 250 | V | 59.7 | Low | 60.3 | Low | 38 Ų | 38 | 96.4 Ų | 96.4 | 23% | 0.23 | 47% | 0.47 | C | S | . | . | trans | -105.8 | 92 | -178.5 | -176.2 | 0 | 0 | 0 | 0 | 108.5 | V246 Y252 F390 | V246-V250 HydrophobicContact CG1-CG2 4.2Å; V246-V250 PolarHBondContact O-N 3.1Å; V250-Y252 HydrophobicContact CB-CD2 4.49Å; V250-Y252 HydrophobicContact CB-CE2 3.94Å; V250-Y252 HydrophobicContact CG1-CD1 4.15Å; V250-Y252 HydrophobicContact CG1-CD2 4.04Å; V250-Y252 HydrophobicContact CG1-CE1 3.73Å; V250-Y252 HydrophobicContact CG1-CE2 3.6Å; V250-Y252 HydrophobicContact CG1-CG 4.3Å; V250-Y252 VanDerWaalsContact CG1-CZ 3.43Å; V250-Y252 WeakPolarHBondContact O-CD2 3.08Å; V250-Y252 PolarHBondContact O-N 3.12Å; V250-F390 HydrophobicContact CG1-CE1 4.34Å; V250-F390 HydrophobicContact CG1-CE2 3.65Å; V250-F390 HydrophobicContact CG1-CZ 3.28Å | ||
| 251 | D | 68.4 | Low | 63.1 | Low | 50 Ų | 50 | 95.1 Ų | 95.1 | 27% | 0.267 | 46% | 0.459 | S | S | . | . | trans | -79.4 | 88.6 | 178.9 | -176.3 | 0.1 | 0 | 0 | 0 | 110.1 | T253 L254 R383 S386 | D251-T253 PolarHBondContact O-N 3.31Å; D251-T253 WeakPolarHBondContact OD1-CB 3.41Å; D251-T253 PolarHBondContact OD1-N 3.42Å; D251-T253 PolarHBondContact OD1-OG1 3.31Å; D251-T253 PolarHBondContact OD2-OG1 3.2Å; D251-L254 HydrophobicContact CB-CD1 4.06Å; D251-L254 VanDerWaalsContact O-CB 3.32Å; D251-L254 WeakPolarHBondContact O-CB 3.42Å; D251-L254 WeakPolarHBondContact O-CD1 3.39Å; D251-L254 PolarHBondContact O-N 2.87Å; D251-R383 VanDerWaalsContact CG-NH2 3.32Å; D251-R383 IonicContact OD1-NH2 2.82Å; D251-R383 IonicContact OD2-CZ 3.6Å; D251-R383 IonicContact OD2-NE 2.84Å; D251-R383 PolarHBondContact OD2-NE 2.75Å; D251-R383 IonicContact OD2-NH2 2.77Å; D251-R383 PolarHBondContact OD2-NH2 2.98Å; D251-S386 PolarHBondContact N-OG 2.98Å | ||
| 252 | Y | 72.9 | Confident | 65.9 | Low | 134 Ų | 134 | 89.5 Ų | 89.5 | 53% | 0.525 | 43% | 0.434 | S | S | . | . | G | 310 helix | trans | -62.1 | -10.9 | 177.9 | -65.2 | -82.2 | 0 | 0 | 0 | 113.3 | V250 L254 I255 F390 | V250-Y252 HydrophobicContact CB-CD2 4.49Å; V250-Y252 HydrophobicContact CB-CE2 3.94Å; V250-Y252 HydrophobicContact CG1-CD1 4.15Å; V250-Y252 HydrophobicContact CG1-CD2 4.04Å; V250-Y252 HydrophobicContact CG1-CE1 3.73Å; V250-Y252 HydrophobicContact CG1-CE2 3.6Å; V250-Y252 HydrophobicContact CG1-CG 4.3Å; V250-Y252 VanDerWaalsContact CG1-CZ 3.43Å; V250-Y252 WeakPolarHBondContact O-CD2 3.08Å; V250-Y252 PolarHBondContact O-N 3.12Å; Y252-L254 PolarHBondContact O-N 3.41Å; Y252-I255 WeakPolarHBondContact O-CG1 3.5Å; Y252-I255 PolarHBondContact O-N 3.28Å; Y252-F390 HydrophobicContact CD1-CZ 4.11Å; Y252-F390 HydrophobicContact CE1-CZ 4.27Å |
| 253 | T | 76.9 | Confident | 68.6 | Low | 79 Ų | 79 | 83.6 Ų | 83.6 | 49% | 0.485 | 40% | 0.404 | S | S | . | . | G | 310 helix | trans | -73.5 | -6.9 | 172.4 | 73.9 | 0 | 0 | 0 | 0 | 112.5 | D251 T256 N257 R383 | D251-T253 PolarHBondContact O-N 3.31Å; D251-T253 WeakPolarHBondContact OD1-CB 3.41Å; D251-T253 PolarHBondContact OD1-N 3.42Å; D251-T253 PolarHBondContact OD1-OG1 3.31Å; D251-T253 PolarHBondContact OD2-OG1 3.2Å; T253-T256 WeakPolarHBondContact CA-OG1 3.35Å; T253-T256 PolarHBondContact O-OG1 3.23Å; T253-N257 PolarHBondContact O-N 3.02Å; T253-R383 PolarHBondContact OG1-NH2 3.5Å |
| 254 | L | 77.9 | Confident | 71.5 | Confident | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -68.7 | -42.4 | 171 | -78.9 | 156.1 | 0 | 0 | 0 | 112.1 | D251 Y252 T256 N257 F260 V379 S386 A387 F390 | D251-L254 HydrophobicContact CB-CD1 4.06Å; D251-L254 VanDerWaalsContact O-CB 3.32Å; D251-L254 WeakPolarHBondContact O-CB 3.42Å; D251-L254 WeakPolarHBondContact O-CD1 3.39Å; D251-L254 PolarHBondContact O-N 2.87Å; Y252-L254 PolarHBondContact O-N 3.41Å; L254-T256 PolarHBondContact O-N 3.24Å; L254-N257 WeakPolarHBondContact O-CB 3.48Å; L254-N257 PolarHBondContact O-N 2.94Å; L254-F260 HydrophobicContact CB-CD1 4.3Å; L254-F260 HydrophobicContact CB-CE1 4.37Å; L254-F260 VanDerWaalsContact O-CD1 3.25Å; L254-F260 WeakPolarHBondContact O-CD1 3.33Å; L254-V379 HydrophobicContact CD2-CB 4.42Å; L254-V379 HydrophobicContact CD2-CG1 4.05Å; L254-S386 VanDerWaalsContact CD1-OG 3.23Å; L254-S386 WeakPolarHBondContact CD1-OG 3.4Å; L254-A387 HydrophobicContact CD1-CB 4.19Å; L254-A387 HydrophobicContact CD2-CB 3.82Å; L254-F390 HydrophobicContact CB-CD2 4.45Å; L254-F390 HydrophobicContact CD1-CD2 4.12Å; L254-F390 HydrophobicContact CD1-CE2 4.5Å |
| 255 | I | 82.1 | Confident | 74.3 | Confident | 78 Ų | 78 | 73.7 Ų | 73.7 | 40% | 0.4 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -19.3 | -179 | 55.6 | 160.8 | 0 | 0 | 0 | 112.6 | Y252 M261 F390 | Y252-I255 WeakPolarHBondContact O-CG1 3.5Å; Y252-I255 PolarHBondContact O-N 3.28Å; I255-M261 VanDerWaalsContact O-CG 3.24Å; I255-M261 WeakPolarHBondContact O-CG 3.46Å; I255-F390 HydrophobicContact CG2-CD1 4.13Å; I255-F390 HydrophobicContact CG2-CE1 4.21Å; I255-F390 HydrophobicContact CG2-CG 4.48Å |
| 256 | T | 82.2 | Confident | 77 | Confident | 112 Ų | 112 | 65 Ų | 65 | 69% | 0.687 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -10.1 | 173.1 | 56.3 | 0 | 0 | 0 | 0 | 112.9 | T253 L254 G258 | T253-T256 WeakPolarHBondContact CA-OG1 3.35Å; T253-T256 PolarHBondContact O-OG1 3.23Å; L254-T256 PolarHBondContact O-N 3.24Å; T256-G258 PolarHBondContact O-N 3.22Å |
| 257 | N | 86.7 | Confident | 79.2 | Confident | 48 Ų | 48 | 61.1 Ų | 61.1 | 26% | 0.257 | 30% | 0.304 | S | S | . | . | trans | -77.7 | 112.1 | 175.9 | -176.1 | -21.9 | 0 | 0 | 0 | 110.6 | T253 L254 R259 F260 M261 | T253-N257 PolarHBondContact O-N 3.02Å; L254-N257 WeakPolarHBondContact O-CB 3.48Å; L254-N257 PolarHBondContact O-N 2.94Å; N257-R259 VanDerWaalsContact C-N 3.31Å; N257-R259 PolarHBondContact O-N 2.86Å; N257-R259 PolarHBondContact OD1-N 3.47Å; N257-F260 HydrophobicContact CB-CB 4.11Å; N257-F260 PolarHBondContact O-N 3Å; N257-F260 VanDerWaalsContact O-N 3.16Å; N257-M261 PolarHBondContact O-N 3.01Å | ||
| 258 | G | 87.4 | Confident | 81.7 | Confident | 38 Ų | 38 | 57 Ų | 57 | 39% | 0.392 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -55.7 | -38.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | T256 M261 V262 | T256-G258 PolarHBondContact O-N 3.22Å; G258-M261 PolarHBondContact O-N 3.32Å; G258-V262 WeakPolarHBondContact O-CG2 3.24Å; G258-V262 PolarHBondContact O-N 3.45Å |
| 259 | R | 89.9 | Confident | 84.1 | Confident | 86 Ų | 86 | 52.1 Ų | 52.1 | 33% | 0.325 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -66 | -42 | 179.2 | -64.9 | -178 | -171.9 | 163.9 | 5.4 | 111.7 | N257 V262 Y263 V378 L437 M440 S444 | N257-R259 VanDerWaalsContact C-N 3.31Å; N257-R259 PolarHBondContact O-N 2.86Å; N257-R259 PolarHBondContact OD1-N 3.47Å; R259-V262 PolarHBondContact O-N 3.42Å; R259-Y263 WeakPolarHBondContact O-CB 3.48Å; R259-Y263 PolarHBondContact O-N 2.96Å; R259-V378 HydrophobicContact CB-CG1 4.12Å; R259-L437 HydrophobicContact CB-CD1 3.88Å; R259-L437 HydrophobicContact CG-CD1 4.24Å; R259-M440 HydrophobicContact CG-CE 3.89Å; R259-S444 PolarHBondContact NH2-OG 2.84Å |
| 260 | F | 89.6 | Confident | 86.2 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.4 | -40 | 177.2 | 177.4 | -103.7 | 0 | 0 | 0 | 111.7 | L254 N257 Y263 S264 L375 V379 A387 F390 F391 I394 | L254-F260 HydrophobicContact CB-CD1 4.3Å; L254-F260 HydrophobicContact CB-CE1 4.37Å; L254-F260 VanDerWaalsContact O-CD1 3.25Å; L254-F260 WeakPolarHBondContact O-CD1 3.33Å; N257-F260 HydrophobicContact CB-CB 4.11Å; N257-F260 PolarHBondContact O-N 3Å; N257-F260 VanDerWaalsContact O-N 3.16Å; F260-Y263 PolarHBondContact O-N 3.01Å; F260-S264 WeakPolarHBondContact O-CB 3.48Å; F260-S264 PolarHBondContact O-N 3.39Å; F260-S264 PolarHBondContact O-OG 3.28Å; F260-L375 HydrophobicContact CE2-CD1 4.45Å; F260-V379 HydrophobicContact CB-CG1 4.25Å; F260-V379 HydrophobicContact CD2-CG1 3.49Å; F260-V379 VanDerWaalsContact CD2-CG1 3.49Å; F260-V379 HydrophobicContact CE2-CG1 4.25Å; F260-V379 HydrophobicContact CG-CG1 4.21Å; F260-A387 HydrophobicContact CD2-CB 4.44Å; F260-A387 HydrophobicContact CE2-CB 3.92Å; F260-A387 WeakPolarHBondContact CE2-O 3.5Å; F260-A387 WeakPolarHBondContact CZ-O 3.49Å; F260-F390 HydrophobicContact CE1-CB 4Å; F260-F390 HydrophobicContact CZ-CB 3.77Å; F260-F391 HydrophobicContact CE2-CB 4.09Å; F260-F391 HydrophobicContact CZ-CB 4.09Å; F260-I394 HydrophobicContact CE1-CD1 4.48Å |
| 261 | M | 93.1 | Very high | 87.7 | Confident | 61 Ų | 61 | 41.2 Ų | 41.2 | 30% | 0.3 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -65.2 | -43.3 | 176.4 | -77.1 | -54.9 | -54.1 | 0 | 0 | 112.4 | I255 N257 G258 Y263 S264 M265 I394 | I255-M261 VanDerWaalsContact O-CG 3.24Å; I255-M261 WeakPolarHBondContact O-CG 3.46Å; N257-M261 PolarHBondContact O-N 3.01Å; G258-M261 PolarHBondContact O-N 3.32Å; M261-Y263 PolarHBondContact O-N 3.32Å; M261-S264 WeakPolarHBondContact O-CB 3.32Å; M261-S264 PolarHBondContact O-N 3.41Å; M261-M265 HydrophobicContact CE-CE 4.16Å; M261-M265 WeakPolarHBondContact O-CG 3.33Å; M261-M265 PolarHBondContact O-N 3.11Å; M261-I394 HydrophobicContact SD-CD1 4.3Å |
| 262 | V | 93.4 | Very high | 88.9 | Confident | 27 Ų | 27 | 40.5 Ų | 40.5 | 16% | 0.164 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.7 | -45.7 | 174.5 | 172 | 0 | 0 | 0 | 0 | 111.1 | G258 R259 S264 M265 F266 F433 I436 L437 M440 | G258-V262 WeakPolarHBondContact O-CG2 3.24Å; G258-V262 PolarHBondContact O-N 3.45Å; R259-V262 PolarHBondContact O-N 3.42Å; V262-S264 VanDerWaalsContact C-N 3.29Å; V262-S264 PolarHBondContact O-N 2.75Å; V262-M265 PolarHBondContact O-N 3.42Å; V262-F266 PolarHBondContact O-N 2.84Å; V262-F266 VanDerWaalsContact O-N 3.07Å; V262-F433 HydrophobicContact CG1-CB 4.25Å; V262-F433 HydrophobicContact CG1-CD1 4.38Å; V262-F433 WeakPolarHBondContact CG1-O 3.25Å; V262-I436 HydrophobicContact CG1-CB 4.33Å; V262-I436 HydrophobicContact CG1-CG2 4.17Å; V262-I436 HydrophobicContact CG2-CG2 4.44Å; V262-L437 HydrophobicContact CG1-CB 3.94Å; V262-M440 HydrophobicContact CG2-SD 4Å |
| 263 | Y | 92.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.2 | -36.8 | 174.9 | -172.7 | -97.5 | 0 | 0 | 0 | 112.6 | R259 F260 M261 F266 G267 L330 H371 V374 L375 V378 F391 L434 L437 | R259-Y263 WeakPolarHBondContact O-CB 3.48Å; R259-Y263 PolarHBondContact O-N 2.96Å; F260-Y263 PolarHBondContact O-N 3.01Å; M261-Y263 PolarHBondContact O-N 3.32Å; Y263-F266 HydrophobicContact CD2-CD1 4.22Å; Y263-F266 HydrophobicContact CE2-CD1 4.07Å; Y263-F266 HydrophobicContact CE2-CE1 4.25Å; Y263-F266 WeakPolarHBondContact O-CB 3.37Å; Y263-F266 PolarHBondContact O-N 3.12Å; Y263-G267 PolarHBondContact O-N 2.98Å; Y263-L330 HydrophobicContact CE2-CD2 4.38Å; Y263-H371 AromaticContact CZ-CE1 3.87Å; Y263-H371 PolarHBondContact OH-CE1 3.48Å; Y263-H371 PolarHBondContact OH-ND1 3.38Å; Y263-H371 VanDerWaalsContact OH-ND1 3.12Å; Y263-H371 PolarHBondContact OH-O 3.38Å; Y263-V374 HydrophobicContact CD2-CG1 4.34Å; Y263-V374 HydrophobicContact CE2-CB 4.21Å; Y263-V374 HydrophobicContact CE2-CG1 3.6Å; Y263-L375 HydrophobicContact CD1-CD1 3.94Å; Y263-L375 HydrophobicContact CE1-CB 4.05Å; Y263-L375 HydrophobicContact CE1-CD1 3.67Å; Y263-L375 HydrophobicContact CE1-CG 4.39Å; Y263-V378 HydrophobicContact CD2-CG2 4.1Å; Y263-V378 HydrophobicContact CG-CG2 4.37Å; Y263-F391 AromaticContact CD1-CD2 3.73Å; Y263-F391 HydrophobicContact CD1-CD2 3.73Å; Y263-F391 AromaticContact CD1-CE2 3.58Å; Y263-F391 HydrophobicContact CD1-CE2 3.58Å; Y263-F391 HydrophobicContact CD1-CZ 4.43Å; Y263-F391 AromaticContact CE1-CD2 3.81Å; Y263-F391 HydrophobicContact CE1-CD2 3.81Å; Y263-F391 AromaticContact CE1-CE2 3.44Å; Y263-F391 HydrophobicContact CE1-CE2 3.44Å; Y263-F391 VanDerWaalsContact CE1-CE2 3.44Å; Y263-F391 HydrophobicContact CE1-CG 4.48Å; Y263-F391 AromaticContact CE1-CZ 3.85Å; Y263-F391 HydrophobicContact CE1-CZ 3.85Å; Y263-L434 HydrophobicContact CD2-CD2 4.27Å; Y263-L434 HydrophobicContact CE2-CD2 4.41Å; Y263-L437 HydrophobicContact CD2-CD2 3.81Å; Y263-L437 HydrophobicContact CG-CD2 4.48Å |
| 264 | S | 91.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -67.2 | -37.4 | 176.6 | -60.6 | 0 | 0 | 0 | 0 | 111.9 | F260 M261 V262 G267 V268 | F260-S264 WeakPolarHBondContact O-CB 3.48Å; F260-S264 PolarHBondContact O-N 3.39Å; F260-S264 PolarHBondContact O-OG 3.28Å; M261-S264 WeakPolarHBondContact O-CB 3.32Å; M261-S264 PolarHBondContact O-N 3.41Å; V262-S264 VanDerWaalsContact C-N 3.29Å; V262-S264 PolarHBondContact O-N 2.75Å; S264-G267 WeakPolarHBondContact O-CA 3.36Å; S264-G267 PolarHBondContact O-N 3.09Å; S264-G267 VanDerWaalsContact O-N 3.08Å; S264-V268 WeakPolarHBondContact O-CG2 3.25Å; S264-V268 PolarHBondContact O-N 3.48Å |
| 265 | M | 94.9 | Very high | 90.5 | Very high | 57 Ų | 57 | 33 Ų | 33 | 28% | 0.281 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -65.4 | -40.3 | 173.4 | -67.7 | -58 | 95.7 | 0 | 0 | 112.1 | M261 V262 G267 V268 F269 I394 F433 | M261-M265 HydrophobicContact CE-CE 4.16Å; M261-M265 WeakPolarHBondContact O-CG 3.33Å; M261-M265 PolarHBondContact O-N 3.11Å; V262-M265 PolarHBondContact O-N 3.42Å; M265-G267 PolarHBondContact O-N 3.02Å; M265-V268 HydrophobicContact CE-CG2 3.99Å; M265-V268 PolarHBondContact O-N 3.45Å; M265-F269 WeakPolarHBondContact O-CD2 3.34Å; M265-F269 PolarHBondContact O-N 2.98Å; M265-F269 VanDerWaalsContact O-N 3.17Å; M265-I394 HydrophobicContact CE-CG2 3.67Å; M265-F433 HydrophobicContact CB-CD1 3.69Å; M265-F433 HydrophobicContact CB-CD2 4.35Å; M265-F433 HydrophobicContact CB-CE1 3.66Å; M265-F433 HydrophobicContact CB-CE2 4.33Å; M265-F433 HydrophobicContact CB-CG 4.04Å; M265-F433 HydrophobicContact CB-CZ 4Å; M265-F433 HydrophobicContact CG-CE1 4.18Å |
| 266 | F | 94.6 | Very high | 90.6 | Very high | 2 Ų | 2 | 29.3 Ų | 29.3 | 1% | 0.009 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -51.4 | -48.4 | 166.5 | 152.1 | -103 | 0 | 0 | 0 | 110.6 | V262 Y263 V268 F269 A270 L330 V334 H371 F433 L434 | V262-F266 PolarHBondContact O-N 2.84Å; V262-F266 VanDerWaalsContact O-N 3.07Å; Y263-F266 HydrophobicContact CD2-CD1 4.22Å; Y263-F266 HydrophobicContact CE2-CD1 4.07Å; Y263-F266 HydrophobicContact CE2-CE1 4.25Å; Y263-F266 WeakPolarHBondContact O-CB 3.37Å; Y263-F266 PolarHBondContact O-N 3.12Å; F266-V268 PolarHBondContact O-N 3.32Å; F266-F269 PolarHBondContact O-N 3.41Å; F266-A270 HydrophobicContact CD2-CB 4.22Å; F266-A270 HydrophobicContact CE2-CB 3.78Å; F266-A270 HydrophobicContact CZ-CB 4.1Å; F266-A270 WeakPolarHBondContact O-CB 3.5Å; F266-A270 PolarHBondContact O-N 2.94Å; F266-L330 HydrophobicContact CE1-CD2 4Å; F266-L330 HydrophobicContact CZ-CD1 4.49Å; F266-L330 HydrophobicContact CZ-CD2 3.97Å; F266-L330 HydrophobicContact CZ-CG 4.37Å; F266-V334 HydrophobicContact CE2-CG1 4.36Å; F266-V334 HydrophobicContact CE2-CG2 3.89Å; F266-V334 HydrophobicContact CZ-CG2 4.27Å; F266-H371 AromaticContact CE1-CE1 3.75Å; F266-H371 AromaticContact CE1-ND1 3.59Å; F266-F433 HydrophobicContact CB-CB 3.97Å; F266-L434 HydrophobicContact CB-CD2 4.03Å; F266-L434 HydrophobicContact CB-CG 4.18Å; F266-L434 HydrophobicContact CD1-CD2 3.82Å; F266-L434 HydrophobicContact CD1-CG 4.41Å; F266-L434 HydrophobicContact CD2-CD1 3.65Å; F266-L434 HydrophobicContact CD2-CD2 3.91Å; F266-L434 HydrophobicContact CD2-CG 3.57Å; F266-L434 HydrophobicContact CE1-CD2 4.28Å; F266-L434 HydrophobicContact CE2-CD1 3.61Å; F266-L434 HydrophobicContact CE2-CD2 4.38Å; F266-L434 HydrophobicContact CE2-CG 4.07Å; F266-L434 HydrophobicContact CG-CD1 4.24Å; F266-L434 HydrophobicContact CG-CD2 3.61Å; F266-L434 HydrophobicContact CG-CG 3.77Å; F266-L434 HydrophobicContact CZ-CD1 4.14Å |
| 267 | G | 92.1 | Very high | 90.9 | Very high | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.01 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -56.8 | -42.6 | 178 | 0 | 0 | 0 | 0 | 0 | 114 | Y263 S264 M265 A271 | Y263-G267 PolarHBondContact O-N 2.98Å; S264-G267 WeakPolarHBondContact O-CA 3.36Å; S264-G267 PolarHBondContact O-N 3.09Å; S264-G267 VanDerWaalsContact O-N 3.08Å; M265-G267 PolarHBondContact O-N 3.02Å; G267-A271 VanDerWaalsContact O-CB 3.3Å; G267-A271 WeakPolarHBondContact O-CB 3.35Å; G267-A271 PolarHBondContact O-N 3.34Å |
| 268 | V | 94.6 | Very high | 91 | Very high | 21 Ų | 21 | 22.9 Ų | 22.9 | 13% | 0.127 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61.5 | -53.9 | 178.2 | 175.8 | 0 | 0 | 0 | 0 | 111.3 | S264 M265 F266 A271 L272 I394 | S264-V268 WeakPolarHBondContact O-CG2 3.25Å; S264-V268 PolarHBondContact O-N 3.48Å; M265-V268 HydrophobicContact CE-CG2 3.99Å; M265-V268 PolarHBondContact O-N 3.45Å; F266-V268 PolarHBondContact O-N 3.32Å; V268-A271 PolarHBondContact O-N 2.76Å; V268-L272 PolarHBondContact O-N 2.93Å; V268-I394 HydrophobicContact CG2-CG2 3.58Å; V268-I394 WeakPolarHBondContact CG2-O 3.21Å |
| 269 | F | 95.4 | Very high | 91.3 | Very high | 67 Ų | 67 | 21.3 Ų | 21.3 | 29% | 0.294 | 10% | 0.104 | S | C | . | . | H | α-helix | trans | -69.3 | -34.6 | -178.3 | -76.5 | -79.8 | 0 | 0 | 0 | 112.3 | M265 F266 L272 G273 V429 F433 | M265-F269 WeakPolarHBondContact O-CD2 3.34Å; M265-F269 PolarHBondContact O-N 2.98Å; M265-F269 VanDerWaalsContact O-N 3.17Å; F266-F269 PolarHBondContact O-N 3.41Å; F269-L272 WeakPolarHBondContact O-CB 3.24Å; F269-L272 PolarHBondContact O-N 2.89Å; F269-G273 PolarHBondContact O-N 3.17Å; F269-V429 HydrophobicContact CD1-CB 4.39Å; F269-V429 HydrophobicContact CD1-CG1 3.84Å; F269-V429 HydrophobicContact CD2-CG1 4.34Å; F269-V429 HydrophobicContact CE1-CG1 3.92Å; F269-V429 HydrophobicContact CE2-CG1 4.42Å; F269-V429 HydrophobicContact CG-CG1 4.06Å; F269-V429 HydrophobicContact CZ-CG1 4.22Å; F269-F433 HydrophobicContact CD2-CD2 4.1Å; F269-F433 AromaticContact CD2-CE2 3.49Å; F269-F433 HydrophobicContact CD2-CE2 3.49Å; F269-F433 VanDerWaalsContact CD2-CE2 3.49Å; F269-F433 HydrophobicContact CD2-CZ 4.28Å; F269-F433 AromaticContact CE2-CE2 3.51Å; F269-F433 HydrophobicContact CE2-CE2 3.51Å; F269-F433 AromaticContact CE2-CZ 3.91Å; F269-F433 HydrophobicContact CE2-CZ 3.91Å; F269-F433 HydrophobicContact CG-CE2 4.46Å; F269-F433 HydrophobicContact CZ-CE2 4.47Å |
| 270 | A | 94.2 | Very high | 91.6 | Very high | 1 Ų | 1 | 17.2 Ų | 17.2 | 1% | 0.008 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -64.7 | -44.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | F266 L272 G273 F274 L427 | F266-A270 HydrophobicContact CD2-CB 4.22Å; F266-A270 HydrophobicContact CE2-CB 3.78Å; F266-A270 HydrophobicContact CZ-CB 4.1Å; F266-A270 WeakPolarHBondContact O-CB 3.5Å; F266-A270 PolarHBondContact O-N 2.94Å; A270-L272 VanDerWaalsContact C-N 3.32Å; A270-L272 PolarHBondContact O-N 3.43Å; A270-G273 PolarHBondContact O-N 2.65Å; A270-F274 HydrophobicContact CB-CE1 4.5Å; A270-F274 HydrophobicContact CB-CE2 3.92Å; A270-F274 HydrophobicContact CB-CZ 3.87Å; A270-F274 WeakPolarHBondContact O-CD1 3.15Å; A270-F274 WeakPolarHBondContact O-CD2 3.49Å; A270-F274 WeakPolarHBondContact O-CG 3.25Å; A270-F274 PolarHBondContact O-N 2.88Å; A270-F274 VanDerWaalsContact O-N 3.12Å; A270-L427 HydrophobicContact CB-CD2 4.28Å |
| 271 | A | 91.3 | Very high | 91.9 | Very high | 3 Ų | 3 | 17.2 Ų | 17.2 | 3% | 0.025 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -58.4 | -46.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | G267 V268 G273 F274 F275 R395 | G267-A271 VanDerWaalsContact O-CB 3.3Å; G267-A271 WeakPolarHBondContact O-CB 3.35Å; G267-A271 PolarHBondContact O-N 3.34Å; V268-A271 PolarHBondContact O-N 2.76Å; A271-G273 PolarHBondContact O-N 2.9Å; A271-F274 PolarHBondContact O-N 2.85Å; A271-F274 VanDerWaalsContact O-N 3.13Å; A271-F275 HydrophobicContact CB-CE2 4.43Å; A271-F275 WeakPolarHBondContact O-CD2 3.41Å; A271-F275 WeakPolarHBondContact O-CE2 3.38Å; A271-R395 HydrophobicContact CB-CG 3.82Å |
| 272 | L | 92.7 | Very high | 92 | Very high | 35 Ų | 35 | 14.5 Ų | 14.5 | 18% | 0.183 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -52.9 | -31 | 179.8 | -164.9 | 141.1 | 0 | 0 | 0 | 113.4 | V268 F269 A270 G398 M422 A426 | V268-L272 PolarHBondContact O-N 2.93Å; F269-L272 WeakPolarHBondContact O-CB 3.24Å; F269-L272 PolarHBondContact O-N 2.89Å; A270-L272 VanDerWaalsContact C-N 3.32Å; A270-L272 PolarHBondContact O-N 3.43Å; L272-G398 WeakPolarHBondContact CA-O 3.5Å; L272-M422 HydrophobicContact CD2-CE 3.35Å; L272-M422 HydrophobicContact CD2-SD 4.37Å; L272-M422 HydrophobicContact CG-CE 4.16Å; L272-A426 HydrophobicContact CB-CB 4.36Å; L272-A426 HydrophobicContact CD2-CB 3.43Å; L272-A426 VanDerWaalsContact CD2-CB 3.43Å |
| 273 | G | 90.2 | Very high | 92 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -96.6 | -18.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | F269 A270 A271 F275 S423 | F269-G273 PolarHBondContact O-N 3.17Å; A270-G273 PolarHBondContact O-N 2.65Å; A271-G273 PolarHBondContact O-N 2.9Å; G273-F275 VanDerWaalsContact C-N 3.28Å; G273-F275 PolarHBondContact O-N 2.65Å; G273-S423 VanDerWaalsContact O-CB 3.32Å; G273-S423 WeakPolarHBondContact O-CB 3.37Å; G273-S423 PolarHBondContact O-OG 3.44Å |
| 274 | F | 88.7 | Confident | 92.2 | Very high | 21 Ų | 21 | 13.6 Ų | 13.6 | 9% | 0.092 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -72.7 | -13.2 | -172.3 | -73.1 | -22 | 0 | 0 | 0 | 115.6 | A270 A271 L337 Y364 T367 L427 | A270-F274 HydrophobicContact CB-CE1 4.5Å; A270-F274 HydrophobicContact CB-CE2 3.92Å; A270-F274 HydrophobicContact CB-CZ 3.87Å; A270-F274 WeakPolarHBondContact O-CD1 3.15Å; A270-F274 WeakPolarHBondContact O-CD2 3.49Å; A270-F274 WeakPolarHBondContact O-CG 3.25Å; A270-F274 PolarHBondContact O-N 2.88Å; A270-F274 VanDerWaalsContact O-N 3.12Å; A271-F274 PolarHBondContact O-N 2.85Å; A271-F274 VanDerWaalsContact O-N 3.13Å; F274-L337 HydrophobicContact CD1-CD2 4.1Å; F274-L337 HydrophobicContact CE1-CD2 3.63Å; F274-Y364 HydrophobicContact CB-CE2 4.15Å; F274-Y364 HydrophobicContact CD1-CD2 4.39Å; F274-Y364 AromaticContact CD1-CE2 3.94Å; F274-Y364 HydrophobicContact CD1-CE2 3.94Å; F274-Y364 HydrophobicContact CE1-CE2 4.48Å; F274-Y364 AromaticContact CG-CE2 3.96Å; F274-Y364 HydrophobicContact CG-CE2 3.96Å; F274-T367 HydrophobicContact CZ-CG2 4.25Å; F274-L427 HydrophobicContact CD1-CD1 4.45Å; F274-L427 HydrophobicContact CD1-CD2 3.79Å; F274-L427 HydrophobicContact CE1-CD1 4.38Å; F274-L427 HydrophobicContact CE1-CD2 3.41Å; F274-L427 VanDerWaalsContact CE1-CD2 3.41Å; F274-L427 HydrophobicContact CZ-CD2 4.21Å |
| 275 | F | 81.9 | Confident | 92.4 | Very high | 34 Ų | 34 | 13.6 Ų | 13.6 | 15% | 0.149 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -22.2 | -172.9 | -60.8 | -80.5 | 0 | 0 | 0 | 114.7 | V68 A271 G273 S278 L279 G399 P403 | V68-F275 HydrophobicContact CB-CE1 4.25Å; V68-F275 HydrophobicContact CG1-CE1 3.84Å; V68-F275 HydrophobicContact CG1-CZ 3.82Å; V68-F275 HydrophobicContact CG2-CE1 3.92Å; A271-F275 HydrophobicContact CB-CE2 4.43Å; A271-F275 WeakPolarHBondContact O-CD2 3.41Å; A271-F275 WeakPolarHBondContact O-CE2 3.38Å; G273-F275 VanDerWaalsContact C-N 3.28Å; G273-F275 PolarHBondContact O-N 2.65Å; F275-S278 PolarHBondContact O-N 2.89Å; F275-S278 PolarHBondContact O-OG 2.96Å; F275-L279 WeakPolarHBondContact O-CB 3.33Å; F275-L279 PolarHBondContact O-N 2.9Å; F275-G399 VanDerWaalsContact CE2-CA 3.43Å; F275-P403 HydrophobicContact CB-CG 3.73Å; F275-P403 HydrophobicContact CD1-CG 4.31Å; F275-P403 HydrophobicContact CD2-CG 4.1Å; F275-P403 HydrophobicContact CG-CG 3.76Å |
| 276 | A | 86.3 | Confident | 92.4 | Very high | 2 Ų | 2 | 14.7 Ų | 14.7 | 2% | 0.017 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -58.9 | -46.1 | -169.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | S278 L279 F280 F420 S423 | A276-S278 PolarHBondContact O-N 3.41Å; A276-L279 PolarHBondContact O-N 2.65Å; A276-F280 HydrophobicContact CB-CD2 4.08Å; A276-F280 WeakPolarHBondContact O-CA 3.36Å; A276-F280 WeakPolarHBondContact O-CB 3.23Å; A276-F280 PolarHBondContact O-N 2.93Å; A276-F420 HydrophobicContact CB-CD1 4.25Å; A276-F420 HydrophobicContact CB-CE1 4.39Å; A276-S423 WeakPolarHBondContact CB-OG 3.45Å |
| 277 | P | 86.8 | Confident | 92.4 | Very high | 3 Ų | 3 | 17.6 Ų | 17.6 | 2% | 0.019 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -65.7 | -40.9 | 178.6 | -27.3 | 40.3 | 0 | 0 | 0 | 112.9 | L279 L281 L299 L341 H360 F420 | P277-L279 VanDerWaalsContact C-N 3.33Å; P277-L279 PolarHBondContact O-N 3.38Å; P277-L281 WeakPolarHBondContact O-CB 3.37Å; P277-L281 PolarHBondContact O-N 3.49Å; P277-L299 VanDerWaalsContact O-CD2 3.32Å; P277-L299 WeakPolarHBondContact O-CD2 3.26Å; P277-L341 HydrophobicContact CG-CD2 3.45Å; P277-L341 VanDerWaalsContact CG-CD2 3.45Å; P277-H360 VanDerWaalsContact CB-CE1 3.48Å; P277-H360 WeakPolarHBondContact CB-CE1 3.45Å; P277-H360 WeakPolarHBondContact CG-NE2 3.39Å; P277-F420 HydrophobicContact CB-CE1 4.45Å; P277-F420 HydrophobicContact CG-CE1 4.13Å |
| 278 | S | 88.7 | Confident | 92.5 | Very high | 22 Ų | 22 | 21.3 Ų | 21.3 | 15% | 0.154 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -66.9 | -32.2 | 178.5 | 44.7 | 0 | 0 | 0 | 0 | 113.9 | K40 F275 A276 | K40-S278 VanDerWaalsContact O-O 3.12Å; F275-S278 PolarHBondContact O-N 2.89Å; F275-S278 PolarHBondContact O-OG 2.96Å; A276-S278 PolarHBondContact O-N 3.41Å |
| 279 | L | 93.9 | Very high | 92.5 | Very high | 4 Ų | 4 | 23.6 Ų | 23.6 | 2% | 0.021 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -102 | -40.2 | -172.3 | -165.3 | 63.4 | 0 | 0 | 0 | 113.4 | F42 F46 T64 F275 A276 P277 P283 P403 | F42-L279 HydrophobicContact CD1-CD1 4.32Å; F46-L279 HydrophobicContact CD2-CD1 3.65Å; F46-L279 HydrophobicContact CD2-CD2 4.35Å; F46-L279 HydrophobicContact CD2-CG 3.84Å; F46-L279 HydrophobicContact CE2-CD1 4.26Å; F46-L279 HydrophobicContact CE2-CD2 4.13Å; F46-L279 HydrophobicContact CE2-CG 4.02Å; F46-L279 HydrophobicContact CG-CD1 4.43Å; T64-L279 HydrophobicContact CG2-CD1 3.83Å; T64-L279 WeakPolarHBondContact OG1-CD2 3.43Å; F275-L279 WeakPolarHBondContact O-CB 3.33Å; F275-L279 PolarHBondContact O-N 2.9Å; A276-L279 PolarHBondContact O-N 2.65Å; P277-L279 VanDerWaalsContact C-N 3.33Å; P277-L279 PolarHBondContact O-N 3.38Å; L279-P283 WeakPolarHBondContact O-CD 3.12Å; L279-P283 WeakPolarHBondContact O-CG 3.37Å; L279-P403 HydrophobicContact CD2-CB 3.68Å; L279-P403 HydrophobicContact CD2-CG 4.42Å |
| 280 | F | 95.8 | Very high | 92.5 | Very high | 1 Ų | 1 | 21.3 Ų | 21.3 | 0% | 0.004 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -107.8 | -9.1 | -169.8 | -55.8 | -49.1 | 0 | 0 | 0 | 114.4 | F46 A276 P283 Y284 A406 I410 Y416 F420 | F46-F280 HydrophobicContact CE1-CD1 4.47Å; F46-F280 HydrophobicContact CE1-CE1 4.44Å; F46-F280 HydrophobicContact CE2-CD1 4.46Å; F46-F280 AromaticContact CE2-CE1 3.9Å; F46-F280 HydrophobicContact CE2-CE1 3.9Å; F46-F280 HydrophobicContact CZ-CD1 4.14Å; F46-F280 AromaticContact CZ-CE1 3.69Å; F46-F280 HydrophobicContact CZ-CE1 3.69Å; A276-F280 HydrophobicContact CB-CD2 4.08Å; A276-F280 WeakPolarHBondContact O-CA 3.36Å; A276-F280 WeakPolarHBondContact O-CB 3.23Å; A276-F280 PolarHBondContact O-N 2.93Å; F280-P283 WeakPolarHBondContact O-CD 3.49Å; F280-Y284 WeakPolarHBondContact O-CB 3.23Å; F280-Y284 PolarHBondContact O-N 2.96Å; F280-A406 HydrophobicContact CD2-CB 4.4Å; F280-A406 HydrophobicContact CE2-CB 3.51Å; F280-A406 HydrophobicContact CZ-CB 4.15Å; F280-I410 HydrophobicContact CD1-CD1 3.98Å; F280-I410 HydrophobicContact CD2-CD1 3.93Å; F280-I410 HydrophobicContact CE1-CD1 4.05Å; F280-I410 HydrophobicContact CE2-CD1 4.03Å; F280-I410 HydrophobicContact CG-CD1 3.92Å; F280-I410 HydrophobicContact CZ-CD1 4.07Å; F280-Y416 HydrophobicContact CB-CD1 4.36Å; F280-Y416 HydrophobicContact CD1-CD1 4.37Å; F280-Y416 HydrophobicContact CD1-CE1 4.37Å; F280-F420 HydrophobicContact CB-CE2 4.09Å; F280-F420 HydrophobicContact CB-CZ 4.25Å |
| 281 | L | 96.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65 | -42 | -180 | -176.2 | 57 | 0 | 0 | 0 | 112.8 | P277 Y284 A285 L298 L299 L353 F356 F420 | P277-L281 WeakPolarHBondContact O-CB 3.37Å; P277-L281 PolarHBondContact O-N 3.49Å; L281-Y284 PolarHBondContact O-N 3.32Å; L281-A285 WeakPolarHBondContact O-CB 3.41Å; L281-A285 PolarHBondContact O-N 2.78Å; L281-L298 HydrophobicContact CD1-CD1 4.23Å; L281-L298 HydrophobicContact CD2-CB 3.91Å; L281-L298 HydrophobicContact CG-CB 4.22Å; L281-L298 HydrophobicContact CG-CD1 4.25Å; L281-L299 HydrophobicContact CB-CD2 4.35Å; L281-L299 HydrophobicContact CD2-CD2 4.19Å; L281-L353 HydrophobicContact CD1-CD2 4.27Å; L281-F356 HydrophobicContact CD1-CD1 4.04Å; L281-F356 HydrophobicContact CD1-CE1 3.8Å; L281-F356 HydrophobicContact CD2-CE1 4.35Å; L281-F420 HydrophobicContact CB-CZ 4.15Å; L281-F420 HydrophobicContact CD1-CZ 4.27Å |
| 282 | V | 95.4 | Very high | 92.7 | Very high | 4 Ų | 4 | 27.5 Ų | 27.5 | 2% | 0.024 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.2 | -53.8 | 175.7 | 170.4 | 0 | 0 | 0 | 0 | 110.5 | I44 V47 Y284 A285 R286 A295 L299 | I44-V282 HydrophobicContact CD1-CB 4.45Å; I44-V282 HydrophobicContact CD1-CG1 4Å; I44-V282 HydrophobicContact CD1-CG2 3.71Å; I44-V282 HydrophobicContact CG1-CG2 4.42Å; V47-V282 HydrophobicContact CG2-CG1 4.13Å; V282-Y284 VanDerWaalsContact C-N 3.28Å; V282-Y284 PolarHBondContact O-N 3.47Å; V282-A285 PolarHBondContact O-N 3.29Å; V282-R286 HydrophobicContact CG1-CG 4.38Å; V282-R286 VanDerWaalsContact O-CG 3.26Å; V282-R286 WeakPolarHBondContact O-CG 3.46Å; V282-R286 PolarHBondContact O-N 2.83Å; V282-A295 HydrophobicContact CG1-CB 4.12Å; V282-L299 HydrophobicContact CG2-CD1 3.44Å; V282-L299 VanDerWaalsContact CG2-CD1 3.44Å; V282-L299 HydrophobicContact CG2-CG 3.84Å |
| 283 | P | 94.4 | Very high | 92.8 | Very high | 4 Ų | 4 | 31.3 Ų | 31.3 | 3% | 0.026 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -53.2 | -41.2 | 173.7 | -26.4 | 29.8 | 0 | 0 | 0 | 114.3 | F46 V47 L279 F280 R286 S287 Y416 | F46-P283 HydrophobicContact CB-CG 4.44Å; F46-P283 HydrophobicContact CD1-CB 4.4Å; F46-P283 HydrophobicContact CD1-CG 3.55Å; F46-P283 HydrophobicContact CE1-CG 4.12Å; F46-P283 HydrophobicContact CG-CG 4.23Å; V47-P283 HydrophobicContact CG2-CB 3.97Å; V47-P283 HydrophobicContact CG2-CG 3.66Å; L279-P283 WeakPolarHBondContact O-CD 3.12Å; L279-P283 WeakPolarHBondContact O-CG 3.37Å; F280-P283 WeakPolarHBondContact O-CD 3.49Å; P283-R286 PolarHBondContact O-N 3.16Å; P283-S287 PolarHBondContact O-N 3.42Å; P283-Y416 HydrophobicContact CB-CD1 3.77Å; P283-Y416 HydrophobicContact CB-CD2 4.44Å; P283-Y416 HydrophobicContact CB-CE1 3.38Å; P283-Y416 HydrophobicContact CB-CE2 4.1Å; P283-Y416 HydrophobicContact CB-CG 4.3Å; P283-Y416 HydrophobicContact CG-CE1 4.27Å |
| 284 | Y | 96.5 | Very high | 93.1 | Very high | 4 Ų | 4 | 34 Ų | 34 | 2% | 0.016 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.2 | -48.3 | 177.6 | -179.8 | -123.6 | 0 | 0 | 0 | 112.3 | F280 L281 V282 R286 S287 Q288 C344 P345 A347 L353 F420 | F280-Y284 WeakPolarHBondContact O-CB 3.23Å; F280-Y284 PolarHBondContact O-N 2.96Å; L281-Y284 PolarHBondContact O-N 3.32Å; V282-Y284 VanDerWaalsContact C-N 3.28Å; V282-Y284 PolarHBondContact O-N 3.47Å; Y284-R286 VanDerWaalsContact C-N 3.27Å; Y284-R286 PolarHBondContact O-N 3.01Å; Y284-S287 PolarHBondContact O-N 3.29Å; Y284-S287 VanDerWaalsContact O-N 3.16Å; Y284-S287 PolarHBondContact O-OG 3.47Å; Y284-Q288 HydrophobicContact CE2-CG 4.26Å; Y284-Q288 WeakPolarHBondContact O-CG 3.13Å; Y284-Q288 PolarHBondContact O-N 3.06Å; Y284-Q288 VanDerWaalsContact O-N 3.08Å; Y284-C344 PolarHBondContact OH-O 3.24Å; Y284-P345 WeakPolarHBondContact OH-CA 3.4Å; Y284-P345 PolarHBondContact OH-O 2.83Å; Y284-A347 WeakPolarHBondContact CE1-O 3.38Å; Y284-A347 PolarHBondContact OH-O 2.85Å; Y284-L353 HydrophobicContact CD1-CD2 3.88Å; Y284-L353 HydrophobicContact CE1-CD2 3.72Å; Y284-F420 HydrophobicContact CD1-CE2 4.23Å; Y284-F420 HydrophobicContact CG-CE2 4.11Å |
| 285 | A | 96.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.1 | -41.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L281 V282 Q288 L290 A295 L298 L353 | L281-A285 WeakPolarHBondContact O-CB 3.41Å; L281-A285 PolarHBondContact O-N 2.78Å; V282-A285 PolarHBondContact O-N 3.29Å; A285-Q288 PolarHBondContact O-N 3.32Å; A285-L290 HydrophobicContact CB-CB 4.47Å; A285-L290 HydrophobicContact CB-CD1 3.96Å; A285-L290 VanDerWaalsContact O-CB 3.3Å; A285-L290 WeakPolarHBondContact O-CB 3.41Å; A285-L290 PolarHBondContact O-N 3.39Å; A285-L290 VanDerWaalsContact O-N 3.13Å; A285-A295 HydrophobicContact CB-CB 3.79Å; A285-L298 HydrophobicContact CB-CD1 3.66Å; A285-L353 HydrophobicContact CB-CD1 4.2Å |
| 286 | R | 94.8 | Very high | 94 | Very high | 79 Ų | 79 | 31.4 Ų | 31.4 | 30% | 0.298 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -65.4 | -39.6 | 176 | -66.2 | -67.7 | -69.7 | 164.8 | -14 | 112.1 | V282 P283 Y284 Q288 G289 L290 E292 A295 | V282-R286 HydrophobicContact CG1-CG 4.38Å; V282-R286 VanDerWaalsContact O-CG 3.26Å; V282-R286 WeakPolarHBondContact O-CG 3.46Å; V282-R286 PolarHBondContact O-N 2.83Å; P283-R286 PolarHBondContact O-N 3.16Å; Y284-R286 VanDerWaalsContact C-N 3.27Å; Y284-R286 PolarHBondContact O-N 3.01Å; R286-Q288 PolarHBondContact O-N 2.86Å; R286-G289 PolarHBondContact O-N 2.64Å; R286-L290 PolarHBondContact NH1-O 3.01Å; R286-E292 IonicContact CZ-OE1 3.57Å; R286-E292 IonicContact NH2-OE1 2.71Å; R286-E292 PolarHBondContact NH2-OE1 3.21Å; R286-A295 HydrophobicContact CG-CB 4.08Å |
| 287 | S | 93.8 | Very high | 94.5 | Very high | 64 Ų | 64 | 33 Ų | 33 | 45% | 0.448 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -67.6 | -23.7 | 176.1 | 73 | 0 | 0 | 0 | 0 | 113.3 | P283 Y284 G289 | P283-S287 PolarHBondContact O-N 3.42Å; Y284-S287 PolarHBondContact O-N 3.29Å; Y284-S287 VanDerWaalsContact O-N 3.16Å; Y284-S287 PolarHBondContact O-OG 3.47Å; S287-G289 PolarHBondContact O-N 3.01Å |
| 288 | Q | 94.7 | Very high | 95 | Very high | 79 Ų | 79 | 32.8 Ų | 32.8 | 37% | 0.369 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | 2.6 | 170.7 | -60.5 | -56.3 | -40.5 | 0 | 0 | 113.2 | Y284 A285 R286 | Y284-Q288 HydrophobicContact CE2-CG 4.26Å; Y284-Q288 WeakPolarHBondContact O-CG 3.13Å; Y284-Q288 PolarHBondContact O-N 3.06Å; Y284-Q288 VanDerWaalsContact O-N 3.08Å; A285-Q288 PolarHBondContact O-N 3.32Å; R286-Q288 PolarHBondContact O-N 2.86Å |
| 289 | G | 93.6 | Very high | 95.3 | Very high | 68 Ų | 68 | 32.2 Ų | 32.2 | 70% | 0.701 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 83.4 | 12.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | R286 S287 | R286-G289 PolarHBondContact O-N 2.64Å; S287-G289 PolarHBondContact O-N 3.01Å |
| 290 | L | 96 | Very high | 95.4 | Very high | 20 Ų | 20 | 32.5 Ų | 32.5 | 11% | 0.105 | 18% | 0.18 | C | C | . | . | trans | -71.5 | 152.1 | 174.3 | -63.8 | -180 | 0 | 0 | 0 | 111.8 | A285 R286 Q294 F350 L353 | A285-L290 HydrophobicContact CB-CB 4.47Å; A285-L290 HydrophobicContact CB-CD1 3.96Å; A285-L290 VanDerWaalsContact O-CB 3.3Å; A285-L290 WeakPolarHBondContact O-CB 3.41Å; A285-L290 PolarHBondContact O-N 3.39Å; A285-L290 VanDerWaalsContact O-N 3.13Å; R286-L290 PolarHBondContact NH1-O 3.01Å; L290-Q294 HydrophobicContact CB-CB 4.43Å; L290-F350 HydrophobicContact CD1-CB 4.3Å; L290-F350 HydrophobicContact CD1-CD2 4.24Å; L290-F350 HydrophobicContact CD2-CB 3.81Å; L290-L353 HydrophobicContact CD1-CD1 3.42Å; L290-L353 VanDerWaalsContact CD1-CD1 3.42Å | ||
| 291 | N | 95.5 | Very high | 95.5 | Very high | 77 Ų | 77 | 34.6 Ų | 34.6 | 41% | 0.412 | 19% | 0.191 | S | C | . | . | trans | -71.4 | 162.5 | 177.9 | 77.8 | 31.5 | 0 | 0 | 0 | 111.6 | Y293 Q294 A295 | N291-Y293 PolarHBondContact O-N 3.33Å; N291-Y293 PolarHBondContact OD1-N 3.4Å; N291-Q294 VanDerWaalsContact CG-CD 3.45Å; N291-Q294 VanDerWaalsContact CG-OE1 3.22Å; N291-Q294 VanDerWaalsContact N-OE1 3.11Å; N291-Q294 VanDerWaalsContact ND2-CD 3.32Å; N291-Q294 PolarHBondContact ND2-OE1 3.28Å; N291-Q294 PolarHBondContact O-N 2.93Å; N291-Q294 WeakPolarHBondContact OD1-CA 3.4Å; N291-Q294 WeakPolarHBondContact OD1-CB 3.48Å; N291-Q294 WeakPolarHBondContact OD1-CG 3.47Å; N291-Q294 PolarHBondContact OD1-N 3.23Å; N291-Q294 PolarHBondContact OD1-OE1 3.31Å; N291-A295 PolarHBondContact O-N 3.05Å | ||
| 292 | E | 94.4 | Very high | 95.5 | Very high | 57 Ų | 57 | 35.2 Ų | 35.2 | 27% | 0.266 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -61.8 | -44.6 | -174 | -70.4 | 165.4 | -164.5 | 0 | 0 | 112.3 | Q168 R286 Q294 A295 A296 | Q168-E292 HydrophobicContact CG-CB 4.02Å; Q168-E292 PolarHBondContact NE2-OE2 3.37Å; R286-E292 IonicContact CZ-OE1 3.57Å; R286-E292 IonicContact NH2-OE1 2.71Å; R286-E292 PolarHBondContact NH2-OE1 3.21Å; E292-Q294 PolarHBondContact O-N 2.97Å; E292-A295 PolarHBondContact O-N 3.32Å; E292-A296 WeakPolarHBondContact O-CB 3.21Å; E292-A296 PolarHBondContact O-N 2.85Å |
| 293 | Y | 94.9 | Very high | 95.5 | Very high | 114 Ų | 114 | 35.2 Ų | 35.2 | 45% | 0.447 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -69.5 | -32.8 | 179.8 | -71.7 | -89.3 | 0 | 0 | 0 | 112.9 | Q168 D172 N291 A297 | Q168-Y293 HydrophobicContact CG-CE1 4.4Å; Q168-Y293 HydrophobicContact CG-CE2 4.37Å; D172-Y293 VanDerWaalsContact OD2-CE2 3.3Å; D172-Y293 WeakPolarHBondContact OD2-CE2 3.49Å; D172-Y293 VanDerWaalsContact OD2-CZ 3.3Å; D172-Y293 PolarHBondContact OD2-OH 3.3Å; N291-Y293 PolarHBondContact O-N 3.33Å; N291-Y293 PolarHBondContact OD1-N 3.4Å; Y293-A297 VanDerWaalsContact O-CB 3.27Å; Y293-A297 WeakPolarHBondContact O-CB 3.42Å; Y293-A297 PolarHBondContact O-N 3.26Å |
| 294 | Q | 95.9 | Very high | 95.6 | Very high | 57 Ų | 57 | 38.5 Ų | 38.5 | 27% | 0.266 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -65.7 | -47 | 172.4 | -80.2 | 169.5 | -24.3 | 0 | 0 | 109.7 | L290 N291 E292 A296 A297 L298 F350 | L290-Q294 HydrophobicContact CB-CB 4.43Å; N291-Q294 VanDerWaalsContact CG-CD 3.45Å; N291-Q294 VanDerWaalsContact CG-OE1 3.22Å; N291-Q294 VanDerWaalsContact N-OE1 3.11Å; N291-Q294 VanDerWaalsContact ND2-CD 3.32Å; N291-Q294 PolarHBondContact ND2-OE1 3.28Å; N291-Q294 PolarHBondContact O-N 2.93Å; N291-Q294 WeakPolarHBondContact OD1-CA 3.4Å; N291-Q294 WeakPolarHBondContact OD1-CB 3.48Å; N291-Q294 WeakPolarHBondContact OD1-CG 3.47Å; N291-Q294 PolarHBondContact OD1-N 3.23Å; N291-Q294 PolarHBondContact OD1-OE1 3.31Å; E292-Q294 PolarHBondContact O-N 2.97Å; Q294-A296 PolarHBondContact O-N 3.04Å; Q294-A297 WeakPolarHBondContact O-CB 3.47Å; Q294-A297 PolarHBondContact O-N 2.8Å; Q294-L298 WeakPolarHBondContact O-CG 3.36Å; Q294-L298 PolarHBondContact O-N 3.44Å; Q294-F350 HydrophobicContact CB-CD2 3.73Å; Q294-F350 HydrophobicContact CB-CE2 3.61Å; Q294-F350 HydrophobicContact CB-CZ 4.44Å; Q294-F350 HydrophobicContact CG-CD2 3.81Å; Q294-F350 HydrophobicContact CG-CE2 3.7Å; Q294-F350 HydrophobicContact CG-CG 4.32Å; Q294-F350 HydrophobicContact CG-CZ 4.11Å |
| 295 | A | 95.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.2 | -44.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | V282 A285 R286 N291 E292 A297 L298 | V282-A295 HydrophobicContact CG1-CB 4.12Å; A285-A295 HydrophobicContact CB-CB 3.79Å; R286-A295 HydrophobicContact CG-CB 4.08Å; N291-A295 PolarHBondContact O-N 3.05Å; E292-A295 PolarHBondContact O-N 3.32Å; A295-A297 VanDerWaalsContact C-N 3.35Å; A295-A297 PolarHBondContact O-N 3.4Å; A295-L298 WeakPolarHBondContact O-CB 3.5Å; A295-L298 PolarHBondContact O-N 3.08Å |
| 296 | A | 94.6 | Very high | 95.6 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.008 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.8 | -36.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113 | I44 T164 Q168 E292 Q294 L298 L299 S300 | I44-A296 HydrophobicContact CD1-CB 3.73Å; T164-A296 HydrophobicContact CG2-CB 3.93Å; T164-A296 WeakPolarHBondContact CG2-O 3.42Å; Q168-A296 HydrophobicContact CB-CB 4.33Å; E292-A296 WeakPolarHBondContact O-CB 3.21Å; E292-A296 PolarHBondContact O-N 2.85Å; Q294-A296 PolarHBondContact O-N 3.04Å; A296-L298 PolarHBondContact O-N 3.41Å; A296-L299 PolarHBondContact O-N 3.47Å; A296-S300 PolarHBondContact O-N 3.49Å; A296-S300 PolarHBondContact O-OG 3.08Å |
| 297 | A | 96.6 | Very high | 95.6 | Very high | 34 Ų | 34 | 38.6 Ų | 38.6 | 28% | 0.281 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.2 | -32.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y293 Q294 A295 S300 I301 | Y293-A297 VanDerWaalsContact O-CB 3.27Å; Y293-A297 WeakPolarHBondContact O-CB 3.42Å; Y293-A297 PolarHBondContact O-N 3.26Å; Q294-A297 WeakPolarHBondContact O-CB 3.47Å; Q294-A297 PolarHBondContact O-N 2.8Å; A295-A297 VanDerWaalsContact C-N 3.35Å; A295-A297 PolarHBondContact O-N 3.4Å; A297-S300 WeakPolarHBondContact O-CB 3.36Å; A297-S300 PolarHBondContact O-N 2.84Å; A297-I301 VanDerWaalsContact O-CG1 3.25Å; A297-I301 WeakPolarHBondContact O-CG1 3.46Å; A297-I301 PolarHBondContact O-N 2.93Å |
| 298 | L | 96.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.9 | -49.9 | 177.5 | -61.7 | 176.3 | 0 | 0 | 0 | 111.9 | L281 A285 Q294 A295 A296 S300 I301 S302 F350 L353 V354 S357 | L281-L298 HydrophobicContact CD1-CD1 4.23Å; L281-L298 HydrophobicContact CD2-CB 3.91Å; L281-L298 HydrophobicContact CG-CB 4.22Å; L281-L298 HydrophobicContact CG-CD1 4.25Å; A285-L298 HydrophobicContact CB-CD1 3.66Å; Q294-L298 WeakPolarHBondContact O-CG 3.36Å; Q294-L298 PolarHBondContact O-N 3.44Å; A295-L298 WeakPolarHBondContact O-CB 3.5Å; A295-L298 PolarHBondContact O-N 3.08Å; A296-L298 PolarHBondContact O-N 3.41Å; L298-S300 VanDerWaalsContact C-N 3.26Å; L298-S300 PolarHBondContact O-N 3.3Å; L298-I301 PolarHBondContact O-N 2.82Å; L298-S302 PolarHBondContact O-N 2.9Å; L298-F350 HydrophobicContact CD2-CD2 4.47Å; L298-F350 HydrophobicContact CD2-CE2 4.19Å; L298-L353 HydrophobicContact CD1-CB 3.83Å; L298-L353 HydrophobicContact CD1-CD1 4.27Å; L298-L353 HydrophobicContact CD1-CG 4.49Å; L298-L353 HydrophobicContact CD2-CB 3.9Å; L298-V354 HydrophobicContact CD2-CB 4.47Å; L298-V354 HydrophobicContact CD2-CG2 3.77Å; L298-S357 PolarHBondContact O-OG 3.49Å |
| 299 | L | 94.9 | Very high | 95.6 | Very high | 9 Ų | 9 | 37.1 Ų | 37.1 | 5% | 0.047 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.2 | -35.5 | 177 | -72.8 | 178.5 | 0 | 0 | 0 | 112 | T164 P277 L281 V282 A296 S302 A303 | T164-L299 HydrophobicContact CG2-CB 3.9Å; T164-L299 HydrophobicContact CG2-CD1 3.98Å; P277-L299 VanDerWaalsContact O-CD2 3.32Å; P277-L299 WeakPolarHBondContact O-CD2 3.26Å; L281-L299 HydrophobicContact CB-CD2 4.35Å; L281-L299 HydrophobicContact CD2-CD2 4.19Å; V282-L299 HydrophobicContact CG2-CD1 3.44Å; V282-L299 VanDerWaalsContact CG2-CD1 3.44Å; V282-L299 HydrophobicContact CG2-CG 3.84Å; A296-L299 PolarHBondContact O-N 3.47Å; L299-S302 PolarHBondContact O-N 3.27Å; L299-A303 WeakPolarHBondContact O-CB 3.42Å; L299-A303 PolarHBondContact O-N 3.08Å |
| 300 | S | 96.6 | Very high | 95.4 | Very high | 10 Ų | 10 | 35.2 Ų | 35.2 | 7% | 0.07 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.2 | -44.7 | 177.4 | -55.7 | 0 | 0 | 0 | 0 | 111.7 | A296 A297 L298 A303 V304 | A296-S300 PolarHBondContact O-N 3.49Å; A296-S300 PolarHBondContact O-OG 3.08Å; A297-S300 WeakPolarHBondContact O-CB 3.36Å; A297-S300 PolarHBondContact O-N 2.84Å; L298-S300 VanDerWaalsContact C-N 3.26Å; L298-S300 PolarHBondContact O-N 3.3Å; S300-A303 PolarHBondContact O-N 2.94Å; S300-V304 WeakPolarHBondContact O-CG2 3.45Å; S300-V304 PolarHBondContact O-N 3.39Å; S300-V304 VanDerWaalsContact O-N 3.13Å |
| 301 | I | 97.4 | Very high | 95 | Very high | 46 Ų | 46 | 39.4 Ų | 39.4 | 24% | 0.236 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60 | -48.4 | 173.2 | -69 | 163.5 | 0 | 0 | 0 | 109.6 | A297 L298 A303 V304 L305 V354 A358 | A297-I301 VanDerWaalsContact O-CG1 3.25Å; A297-I301 WeakPolarHBondContact O-CG1 3.46Å; A297-I301 PolarHBondContact O-N 2.93Å; L298-I301 PolarHBondContact O-N 2.82Å; I301-A303 VanDerWaalsContact C-N 3.26Å; I301-A303 PolarHBondContact O-N 3.39Å; I301-V304 PolarHBondContact O-N 2.9Å; I301-L305 HydrophobicContact CG2-CD2 3.87Å; I301-L305 WeakPolarHBondContact O-CD2 3.38Å; I301-L305 PolarHBondContact O-N 3.08Å; I301-V354 HydrophobicContact CD1-CG1 4.11Å; I301-V354 HydrophobicContact CD1-CG2 3.93Å; I301-A358 HydrophobicContact CG2-CB 4.11Å |
| 302 | S | 96.6 | Very high | 94.7 | Very high | 12 Ų | 12 | 40.1 Ų | 40.1 | 8% | 0.084 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57 | -41.2 | 178.6 | -141.1 | 0 | 0 | 0 | 0 | 111.9 | L298 L299 L305 D306 S357 H360 G361 | L298-S302 PolarHBondContact O-N 2.9Å; L299-S302 PolarHBondContact O-N 3.27Å; S302-L305 PolarHBondContact O-N 3.15Å; S302-D306 VanDerWaalsContact O-CB 3.23Å; S302-D306 WeakPolarHBondContact O-CB 3.16Å; S302-D306 PolarHBondContact O-N 2.81Å; S302-S357 VanDerWaalsContact CB-OG 3.23Å; S302-S357 WeakPolarHBondContact CB-OG 3.48Å; S302-S357 PolarHBondContact N-OG 3.35Å; S302-S357 PolarHBondContact OG-O 3.46Å; S302-S357 VanDerWaalsContact OG-O 3.09Å; S302-H360 PolarHBondContact OG-ND1 3.17Å; S302-H360 VanDerWaalsContact OG-ND1 3.08Å; S302-G361 WeakPolarHBondContact O-CA 3.15Å; S302-G361 WeakPolarHBondContact OG-CA 3.43Å; S302-G361 PolarHBondContact OG-N 3.42Å |
| 303 | A | 96.4 | Very high | 94.1 | Very high | 5 Ų | 5 | 40.8 Ų | 40.8 | 4% | 0.041 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67 | -40.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | C157 T160 F161 L299 S300 I301 D306 L307 | C157-A303 WeakPolarHBondContact CB-O 3.14Å; T160-A303 HydrophobicContact CG2-CB 3.85Å; F161-A303 HydrophobicContact CB-CB 4.38Å; L299-A303 WeakPolarHBondContact O-CB 3.42Å; L299-A303 PolarHBondContact O-N 3.08Å; S300-A303 PolarHBondContact O-N 2.94Å; I301-A303 VanDerWaalsContact C-N 3.26Å; I301-A303 PolarHBondContact O-N 3.39Å; A303-D306 PolarHBondContact O-N 3.43Å; A303-L307 PolarHBondContact O-N 3.43Å; A303-L307 VanDerWaalsContact O-N 3.09Å |
| 304 | V | 96.7 | Very high | 93.3 | Very high | 72 Ų | 72 | 36 Ų | 36 | 44% | 0.436 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -65.2 | -43.7 | 176.1 | 173.4 | 0 | 0 | 0 | 0 | 110.6 | F161 S300 I301 L307 F308 | F161-V304 HydrophobicContact CB-CG2 4.36Å; F161-V304 HydrophobicContact CD2-CG2 3.54Å; F161-V304 HydrophobicContact CE2-CG2 4.08Å; F161-V304 HydrophobicContact CG-CG2 4.05Å; S300-V304 WeakPolarHBondContact O-CG2 3.45Å; S300-V304 PolarHBondContact O-N 3.39Å; S300-V304 VanDerWaalsContact O-N 3.13Å; I301-V304 PolarHBondContact O-N 2.9Å; V304-L307 PolarHBondContact O-N 3.01Å; V304-F308 PolarHBondContact O-N 3.08Å |
| 305 | L | 97.2 | Very high | 92.5 | Very high | 47 Ų | 47 | 41 Ų | 41 | 25% | 0.246 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -72.9 | -29.9 | 179.3 | -79.4 | -52.9 | 0 | 0 | 0 | 112.3 | I301 S302 F308 G309 A358 L362 | I301-L305 HydrophobicContact CG2-CD2 3.87Å; I301-L305 WeakPolarHBondContact O-CD2 3.38Å; I301-L305 PolarHBondContact O-N 3.08Å; S302-L305 PolarHBondContact O-N 3.15Å; L305-F308 PolarHBondContact O-N 3.02Å; L305-G309 PolarHBondContact O-N 3.2Å; L305-A358 HydrophobicContact CD2-CB 4.38Å; L305-A358 HydrophobicContact CG-CB 4.17Å; L305-L362 HydrophobicContact CB-CB 4.4Å; L305-L362 WeakPolarHBondContact O-CA 3.45Å |
| 306 | D | 95.6 | Very high | 91.7 | Very high | 3 Ų | 3 | 42.8 Ų | 42.8 | 2% | 0.016 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.3 | -50.4 | 168.5 | -178.8 | 10.6 | 0 | 0 | 0 | 110.5 | K40 S302 A303 F308 G309 R310 G361 G365 | K40-D306 IonicContact NZ-OD2 2.68Å; K40-D306 PolarHBondContact NZ-OD2 3.36Å; S302-D306 VanDerWaalsContact O-CB 3.23Å; S302-D306 WeakPolarHBondContact O-CB 3.16Å; S302-D306 PolarHBondContact O-N 2.81Å; A303-D306 PolarHBondContact O-N 3.43Å; D306-F308 PolarHBondContact O-N 3.19Å; D306-G309 PolarHBondContact O-N 3.2Å; D306-R310 WeakPolarHBondContact O-CG 3.33Å; D306-R310 PolarHBondContact O-N 2.96Å; D306-R310 IonicContact OD1-CZ 2.8Å; D306-R310 IonicContact OD1-NE 3.06Å; D306-R310 PolarHBondContact OD1-NE 3.25Å; D306-R310 IonicContact OD1-NH2 3.05Å; D306-R310 PolarHBondContact OD1-NH2 2.88Å; D306-R310 IonicContact OD2-CZ 2.68Å; D306-R310 IonicContact OD2-NE 2.8Å; D306-R310 IonicContact OD2-NH2 3.01Å; D306-R310 PolarHBondContact OD2-NH2 3.18Å; D306-G361 WeakPolarHBondContact CA-O 3.5Å; D306-G361 PolarHBondContact N-O 2.74Å; D306-G365 WeakPolarHBondContact OD1-CA 3.35Å; D306-G365 PolarHBondContact OD1-N 3.37Å |
| 307 | L | 94.9 | Very high | 90.6 | Very high | 35 Ų | 35 | 43.8 Ų | 43.8 | 18% | 0.183 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.6 | -47.1 | 176.7 | -178.3 | 57.9 | 0 | 0 | 0 | 112.3 | A154 C157 I158 A303 V304 G309 R310 I311 | A154-L307 HydrophobicContact CB-CD1 3.5Å; C157-L307 HydrophobicContact CB-CB 3.74Å; C157-L307 HydrophobicContact CB-CD1 4.5Å; C157-L307 HydrophobicContact CB-CG 4.49Å; I158-L307 HydrophobicContact CD1-CD2 4.33Å; I158-L307 HydrophobicContact CG1-CD2 4.07Å; A303-L307 PolarHBondContact O-N 3.43Å; A303-L307 VanDerWaalsContact O-N 3.09Å; V304-L307 PolarHBondContact O-N 3.01Å; L307-G309 VanDerWaalsContact C-N 3.34Å; L307-G309 PolarHBondContact O-N 3.42Å; L307-R310 PolarHBondContact O-N 3.13Å; L307-I311 HydrophobicContact CD1-CD1 3.75Å; L307-I311 HydrophobicContact CD1-CG1 4.29Å; L307-I311 HydrophobicContact CG-CD1 4.03Å; L307-I311 WeakPolarHBondContact O-CG1 2.9Å; L307-I311 PolarHBondContact O-N 3.49Å; L307-I311 VanDerWaalsContact O-N 3.16Å |
| 308 | F | 94.6 | Very high | 89.3 | Confident | 113 Ų | 113 | 47.6 Ų | 47.6 | 50% | 0.496 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -61.5 | -44.3 | 177.6 | -176.6 | -93.8 | 0 | 0 | 0 | 111.2 | V304 L305 D306 R310 I311 F312 L362 | V304-F308 PolarHBondContact O-N 3.08Å; L305-F308 PolarHBondContact O-N 3.02Å; D306-F308 PolarHBondContact O-N 3.19Å; F308-R310 PolarHBondContact O-N 2.92Å; F308-I311 PolarHBondContact O-N 3.39Å; F308-F312 HydrophobicContact CD1-CB 4.33Å; F308-F312 HydrophobicContact CE1-CB 4Å; F308-F312 HydrophobicContact CE1-CD1 4.45Å; F308-F312 HydrophobicContact CE1-CG 4.13Å; F308-F312 HydrophobicContact CZ-CB 4.15Å; F308-F312 HydrophobicContact CZ-CD2 4.26Å; F308-F312 HydrophobicContact CZ-CG 4.16Å; F308-F312 VanDerWaalsContact O-CB 3.24Å; F308-F312 WeakPolarHBondContact O-CB 3.3Å; F308-F312 PolarHBondContact O-N 3.32Å; F308-L362 HydrophobicContact CD1-CD1 3.55Å; F308-L362 HydrophobicContact CE1-CD1 4.13Å |
| 309 | G | 91.9 | Very high | 87.9 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.6 | -44.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L305 D306 L307 I311 F313 | L305-G309 PolarHBondContact O-N 3.2Å; D306-G309 PolarHBondContact O-N 3.2Å; L307-G309 VanDerWaalsContact C-N 3.34Å; L307-G309 PolarHBondContact O-N 3.42Å; G309-I311 PolarHBondContact O-N 2.71Å; G309-F313 WeakPolarHBondContact O-CB 3.36Å; G309-F313 PolarHBondContact O-N 2.83Å |
| 310 | R | 89.7 | Confident | 86.1 | Confident | 27 Ų | 27 | 61 Ų | 61 | 10% | 0.102 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.9 | -46.1 | 176.9 | -72.3 | 178.4 | -166.1 | -161.1 | 4.3 | 112 | E156 D306 L307 F308 G314 G365 | E156-R310 VanDerWaalsContact CD-NH2 3.28Å; E156-R310 IonicContact OE1-NH2 3.57Å; E156-R310 PolarHBondContact OE1-NH2 2.98Å; E156-R310 IonicContact OE2-CZ 3.52Å; E156-R310 IonicContact OE2-NH1 3.11Å; E156-R310 PolarHBondContact OE2-NH1 3.44Å; E156-R310 IonicContact OE2-NH2 3.41Å; E156-R310 PolarHBondContact OE2-NH2 2.93Å; D306-R310 WeakPolarHBondContact O-CG 3.33Å; D306-R310 PolarHBondContact O-N 2.96Å; D306-R310 IonicContact OD1-CZ 2.8Å; D306-R310 IonicContact OD1-NE 3.06Å; D306-R310 PolarHBondContact OD1-NE 3.25Å; D306-R310 IonicContact OD1-NH2 3.05Å; D306-R310 PolarHBondContact OD1-NH2 2.88Å; D306-R310 IonicContact OD2-CZ 2.68Å; D306-R310 IonicContact OD2-NE 2.8Å; D306-R310 IonicContact OD2-NH2 3.01Å; D306-R310 PolarHBondContact OD2-NH2 3.18Å; L307-R310 PolarHBondContact O-N 3.13Å; F308-R310 PolarHBondContact O-N 2.92Å; R310-G314 VanDerWaalsContact O-CA 3.32Å; R310-G314 WeakPolarHBondContact O-CA 3.43Å; R310-G314 PolarHBondContact O-N 2.86Å; R310-G314 VanDerWaalsContact O-N 3.14Å; R310-G365 WeakPolarHBondContact CA-O 3.4Å; R310-G365 WeakPolarHBondContact CG-O 3.24Å |
| 311 | I | 88.8 | Confident | 84 | Confident | 109 Ų | 109 | 67.7 Ų | 67.7 | 56% | 0.559 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -75.4 | -52.7 | -175.4 | -63.4 | 170.7 | 0 | 0 | 0 | 110.5 | L307 F308 G309 W315 | L307-I311 HydrophobicContact CD1-CD1 3.75Å; L307-I311 HydrophobicContact CD1-CG1 4.29Å; L307-I311 HydrophobicContact CG-CD1 4.03Å; L307-I311 WeakPolarHBondContact O-CG1 2.9Å; L307-I311 PolarHBondContact O-N 3.49Å; L307-I311 VanDerWaalsContact O-N 3.16Å; F308-I311 PolarHBondContact O-N 3.39Å; G309-I311 PolarHBondContact O-N 2.71Å; I311-W315 WeakPolarHBondContact O-CB 3.48Å; I311-W315 PolarHBondContact O-N 3.14Å |
| 312 | F | 87.9 | Confident | 81.8 | Confident | 91 Ų | 91 | 69 Ų | 69 | 40% | 0.399 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -67.1 | -55.6 | -174.4 | -178.5 | -99.1 | 0 | 0 | 0 | 111.4 | F308 W315 V316 | F308-F312 HydrophobicContact CD1-CB 4.33Å; F308-F312 HydrophobicContact CE1-CB 4Å; F308-F312 HydrophobicContact CE1-CD1 4.45Å; F308-F312 HydrophobicContact CE1-CG 4.13Å; F308-F312 HydrophobicContact CZ-CB 4.15Å; F308-F312 HydrophobicContact CZ-CD2 4.26Å; F308-F312 HydrophobicContact CZ-CG 4.16Å; F308-F312 VanDerWaalsContact O-CB 3.24Å; F308-F312 WeakPolarHBondContact O-CB 3.3Å; F308-F312 PolarHBondContact O-N 3.32Å; F312-W315 PolarHBondContact O-N 3.29Å; F312-V316 HydrophobicContact CD1-CG2 4.39Å; F312-V316 HydrophobicContact CE1-CG2 4.08Å; F312-V316 HydrophobicContact CZ-CG2 4.22Å; F312-V316 WeakPolarHBondContact O-CG2 3.4Å; F312-V316 PolarHBondContact O-N 2.77Å |
| 313 | F | 83.1 | Confident | 79.8 | Confident | 72 Ų | 72 | 77.9 Ų | 77.9 | 32% | 0.316 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -75.4 | -27 | -178.2 | -67.6 | -75.9 | 0 | 0 | 0 | 112.7 | G309 W315 V316 A317 L362 A366 | G309-F313 WeakPolarHBondContact O-CB 3.36Å; G309-F313 PolarHBondContact O-N 2.83Å; F313-W315 VanDerWaalsContact C-N 3.3Å; F313-W315 PolarHBondContact O-N 2.89Å; F313-V316 PolarHBondContact O-N 2.96Å; F313-A317 VanDerWaalsContact O-CB 3.29Å; F313-A317 WeakPolarHBondContact O-CB 3.34Å; F313-A317 PolarHBondContact O-N 2.93Å; F313-L362 HydrophobicContact CD2-CD1 4.42Å; F313-L362 HydrophobicContact CE2-CD1 3.8Å; F313-L362 HydrophobicContact CE2-CD2 4.2Å; F313-L362 HydrophobicContact CE2-CG 3.84Å; F313-A366 HydrophobicContact CB-CB 3.57Å; F313-A366 HydrophobicContact CD2-CB 3.71Å; F313-A366 HydrophobicContact CG-CB 3.74Å |
| 314 | G | 77.3 | Confident | 78 | Confident | 14 Ų | 14 | 80.8 Ų | 80.8 | 14% | 0.144 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -64 | -35.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | R310 N318 | R310-G314 VanDerWaalsContact O-CA 3.32Å; R310-G314 WeakPolarHBondContact O-CA 3.43Å; R310-G314 PolarHBondContact O-N 2.86Å; R310-G314 VanDerWaalsContact O-N 3.14Å; G314-N318 PolarHBondContact O-ND2 2.89Å |
| 315 | W | 79.7 | Confident | 76.9 | Confident | 161 Ų | 161 | 79.9 Ų | 79.9 | 61% | 0.61 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -70.5 | -46 | 171.5 | -178.9 | 69.9 | 0 | 0 | 0 | 111.6 | I311 F312 F313 A317 N318 L319 | I311-W315 WeakPolarHBondContact O-CB 3.48Å; I311-W315 PolarHBondContact O-N 3.14Å; F312-W315 PolarHBondContact O-N 3.29Å; F313-W315 VanDerWaalsContact C-N 3.3Å; F313-W315 PolarHBondContact O-N 2.89Å; W315-A317 PolarHBondContact O-N 3.37Å; W315-N318 WeakPolarHBondContact O-CB 3.13Å; W315-N318 PolarHBondContact O-N 3.05Å; W315-N318 VanDerWaalsContact O-N 3.09Å; W315-L319 HydrophobicContact CD2-CD1 4.32Å; W315-L319 HydrophobicContact CE3-CD1 4.03Å; W315-L319 HydrophobicContact CH2-CD1 3.84Å; W315-L319 HydrophobicContact CH2-CD2 4.42Å; W315-L319 HydrophobicContact CZ2-CD1 4.13Å; W315-L319 HydrophobicContact CZ2-CD2 3.91Å; W315-L319 HydrophobicContact CZ2-CG 4.46Å; W315-L319 HydrophobicContact CZ3-CD1 3.79Å; W315-L319 PolarHBondContact O-N 3.37Å |
| 316 | V | 78.8 | Confident | 76 | Confident | 37 Ų | 37 | 80.1 Ų | 80.1 | 22% | 0.224 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -60 | -42.3 | 178.5 | 172.6 | 0 | 0 | 0 | 0 | 112.1 | F312 F313 N318 L319 I322 | F312-V316 HydrophobicContact CD1-CG2 4.39Å; F312-V316 HydrophobicContact CE1-CG2 4.08Å; F312-V316 HydrophobicContact CZ-CG2 4.22Å; F312-V316 WeakPolarHBondContact O-CG2 3.4Å; F312-V316 PolarHBondContact O-N 2.77Å; F313-V316 PolarHBondContact O-N 2.96Å; V316-N318 PolarHBondContact O-N 3.23Å; V316-L319 WeakPolarHBondContact O-CB 3.45Å; V316-L319 PolarHBondContact O-N 3.46Å; V316-I322 HydrophobicContact CG1-CD1 4.35Å |
| 317 | A | 70.6 | Confident | 75.5 | Confident | 22 Ų | 22 | 80 Ų | 80 | 18% | 0.182 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -61.4 | -26.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | F313 W315 V370 | F313-A317 VanDerWaalsContact O-CB 3.29Å; F313-A317 WeakPolarHBondContact O-CB 3.34Å; F313-A317 PolarHBondContact O-N 2.93Å; W315-A317 PolarHBondContact O-N 3.37Å; A317-V370 HydrophobicContact CB-CG2 3.98Å |
| 318 | N | 68.9 | Low | 75.1 | Confident | 114 Ų | 114 | 81.7 Ų | 81.7 | 61% | 0.61 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -86.7 | -12.1 | 176.6 | -75.3 | -51.1 | 0 | 0 | 0 | 113.7 | G314 W315 V316 R320 | G314-N318 PolarHBondContact O-ND2 2.89Å; W315-N318 WeakPolarHBondContact O-CB 3.13Å; W315-N318 PolarHBondContact O-N 3.05Å; W315-N318 VanDerWaalsContact O-N 3.09Å; V316-N318 PolarHBondContact O-N 3.23Å; N318-R320 PolarHBondContact O-N 2.83Å |
| 319 | L | 68.4 | Low | 74.8 | Confident | 51 Ų | 51 | 77.6 Ų | 77.6 | 27% | 0.267 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -72.2 | 122.1 | 173.8 | -64.4 | 174.2 | 0 | 0 | 0 | 108.6 | W315 V316 L321 I322 | W315-L319 HydrophobicContact CD2-CD1 4.32Å; W315-L319 HydrophobicContact CE3-CD1 4.03Å; W315-L319 HydrophobicContact CH2-CD1 3.84Å; W315-L319 HydrophobicContact CH2-CD2 4.42Å; W315-L319 HydrophobicContact CZ2-CD1 4.13Å; W315-L319 HydrophobicContact CZ2-CD2 3.91Å; W315-L319 HydrophobicContact CZ2-CG 4.46Å; W315-L319 HydrophobicContact CZ3-CD1 3.79Å; W315-L319 PolarHBondContact O-N 3.37Å; V316-L319 WeakPolarHBondContact O-CB 3.45Å; V316-L319 PolarHBondContact O-N 3.46Å; L319-L321 HydrophobicContact CB-CB 4.34Å; L319-L321 HydrophobicContact CB-CD1 4.09Å; L319-L321 HydrophobicContact CB-CG 4.39Å; L319-L321 HydrophobicContact CD1-CD1 4.05Å; L319-L321 PolarHBondContact O-N 3.05Å; L319-I322 PolarHBondContact O-N 3.06Å |
| 320 | R | 56 | Low | 74.7 | Confident | 241 Ų | 241 | 77.6 Ų | 77.6 | 91% | 0.909 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | 7.5 | 174.2 | -63.6 | -176.6 | -178.5 | -176.8 | -0.5 | 114.4 | N318 I322 | N318-R320 PolarHBondContact O-N 2.83Å; R320-I322 PolarHBondContact O-N 2.83Å |
| 321 | L | 52.5 | Low | 74.9 | Confident | 149 Ų | 149 | 76.9 Ų | 76.9 | 78% | 0.78 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -25.7 | 176.4 | -75.9 | 163.5 | 0 | 0 | 0 | 112 | L319 | L319-L321 HydrophobicContact CB-CB 4.34Å; L319-L321 HydrophobicContact CB-CD1 4.09Å; L319-L321 HydrophobicContact CB-CG 4.39Å; L319-L321 HydrophobicContact CD1-CD1 4.05Å; L319-L321 PolarHBondContact O-N 3.05Å |
| 322 | I | 52.7 | Low | 75.1 | Confident | 74 Ų | 74 | 74.6 Ų | 74.6 | 38% | 0.379 | 37% | 0.366 | S | S | . | . | trans | -109.8 | 97.2 | 178.9 | -56.1 | 175.4 | 0 | 0 | 0 | 107.3 | V316 L319 R320 T324 | V316-I322 HydrophobicContact CG1-CD1 4.35Å; L319-I322 PolarHBondContact O-N 3.06Å; R320-I322 PolarHBondContact O-N 2.83Å; I322-T324 WeakPolarHBondContact CG2-OG1 3.23Å; I322-T324 PolarHBondContact O-N 3.13Å | ||
| 323 | Q | 53.6 | Low | 75.3 | Confident | 198 Ų | 198 | 71.5 Ų | 71.5 | 93% | 0.925 | 35% | 0.354 | S | S | * | . | trans | -68.9 | 8.7 | 173.9 | -68.4 | -178.9 | -11.5 | 0 | 0 | 113.5 | ||||
| 324 | T | 59.4 | Low | 75.9 | Confident | 66 Ų | 66 | 68 Ų | 68 | 41% | 0.405 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -73.1 | 139.1 | -179.6 | -46.6 | 0 | 0 | 0 | 0 | 109.9 | I322 Q328 | I322-T324 WeakPolarHBondContact CG2-OG1 3.23Å; I322-T324 PolarHBondContact O-N 3.13Å; T324-Q328 HydrophobicContact CG2-CB 3.7Å; T324-Q328 HydrophobicContact CG2-CG 4.37Å |
| 325 | E | 73.8 | Confident | 76.8 | Confident | 54 Ų | 54 | 70.3 Ų | 70.3 | 25% | 0.252 | 35% | 0.35 | S | S | . | . | trans | -59.5 | 139.9 | 179.6 | -65.3 | -164.7 | 151.6 | 0 | 0 | 110.6 | V327 Q328 Q329 H438 Q445 | E325-V327 PolarHBondContact O-N 3.47Å; E325-V327 VanDerWaalsContact O-N 3.1Å; E325-Q328 HydrophobicContact CB-CG 4.34Å; E325-Q328 WeakPolarHBondContact O-CB 3.47Å; E325-Q328 PolarHBondContact O-N 3.38Å; E325-Q329 PolarHBondContact O-N 3.19Å; E325-H438 IonicContact OE2-CE1 3.51Å; E325-H438 PolarHBondContact OE2-CE1 3.28Å; E325-H438 IonicContact OE2-ND1 3.4Å; E325-H438 PolarHBondContact OE2-ND1 3.23Å; E325-Q445 PolarHBondContact OE1-NE2 3.4Å | ||
| 326 | Q | 78.3 | Confident | 77.6 | Confident | 51 Ų | 51 | 67 Ų | 67 | 24% | 0.238 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -58.1 | -31.3 | -177.1 | -58 | -175.3 | 6.2 | 0 | 0 | 112.3 | Q328 Q329 L330 T373 V374 E377 | Q326-Q328 VanDerWaalsContact C-N 3.28Å; Q326-Q328 PolarHBondContact O-N 3.01Å; Q326-Q329 PolarHBondContact O-N 3.35Å; Q326-L330 PolarHBondContact O-N 3.3Å; Q326-T373 PolarHBondContact OE1-O 3.17Å; Q326-T373 VanDerWaalsContact OE1-O 3.1Å; Q326-T373 PolarHBondContact OE1-OG1 3.39Å; Q326-V374 HydrophobicContact CB-CG2 3.89Å; Q326-E377 WeakPolarHBondContact CB-OE2 3.34Å; Q326-E377 WeakPolarHBondContact CG-OE1 3.29Å; Q326-E377 PolarHBondContact NE2-OE1 2.96Å; Q326-E377 PolarHBondContact OE1-OE1 3.49Å |
| 327 | V | 84.5 | Confident | 78.5 | Confident | 2 Ų | 2 | 65.3 Ų | 65.3 | 1% | 0.012 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -58.6 | -38.4 | 173.4 | -179.6 | 0 | 0 | 0 | 0 | 111.9 | E325 T331 V374 L437 H438 | E325-V327 PolarHBondContact O-N 3.47Å; E325-V327 VanDerWaalsContact O-N 3.1Å; V327-T331 WeakPolarHBondContact O-CB 3.48Å; V327-T331 PolarHBondContact O-N 3.36Å; V327-T331 PolarHBondContact O-OG1 3.09Å; V327-V374 HydrophobicContact CG2-CG1 3.86Å; V327-L437 HydrophobicContact CG1-CD2 4.35Å; V327-L437 HydrophobicContact CG2-CD2 4.46Å; V327-H438 HydrophobicContact CG1-CB 4.02Å |
| 328 | Q | 87.1 | Confident | 79.7 | Confident | 69 Ų | 69 | 64.2 Ų | 64.2 | 32% | 0.322 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -72.1 | -39.1 | 178 | -67 | 176.9 | -46.1 | 0 | 0 | 111.4 | T324 E325 Q326 L330 T331 A332 H438 | T324-Q328 HydrophobicContact CG2-CB 3.7Å; T324-Q328 HydrophobicContact CG2-CG 4.37Å; E325-Q328 HydrophobicContact CB-CG 4.34Å; E325-Q328 WeakPolarHBondContact O-CB 3.47Å; E325-Q328 PolarHBondContact O-N 3.38Å; Q326-Q328 VanDerWaalsContact C-N 3.28Å; Q326-Q328 PolarHBondContact O-N 3.01Å; Q328-L330 VanDerWaalsContact C-N 3.33Å; Q328-L330 PolarHBondContact O-N 3.05Å; Q328-T331 WeakPolarHBondContact O-CB 3.4Å; Q328-T331 PolarHBondContact O-N 3.07Å; Q328-A332 PolarHBondContact O-N 2.91Å; Q328-H438 PolarHBondContact NE2-CE1 3.36Å; Q328-H438 PolarHBondContact NE2-NE2 3.37Å |
| 329 | Q | 87.9 | Confident | 81.1 | Confident | 28 Ų | 28 | 60.6 Ų | 60.6 | 13% | 0.131 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.1 | -43.4 | 173.4 | -65.4 | -179 | -14.3 | 0 | 0 | 111.3 | E325 Q326 A332 T333 V370 | E325-Q329 PolarHBondContact O-N 3.19Å; Q326-Q329 PolarHBondContact O-N 3.35Å; Q329-A332 PolarHBondContact O-N 3.01Å; Q329-T333 WeakPolarHBondContact O-CG2 3.46Å; Q329-T333 PolarHBondContact O-N 3.02Å; Q329-T333 VanDerWaalsContact O-N 3.09Å; Q329-T333 PolarHBondContact O-OG1 3.4Å; Q329-T333 VanDerWaalsContact O-OG1 3.13Å; Q329-V370 HydrophobicContact CB-CG1 4.08Å |
| 330 | L | 90.1 | Very high | 82.5 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.8 | -43.5 | 174.9 | -175.5 | 59.3 | 0 | 0 | 0 | 111.2 | Y263 F266 Q326 Q328 A332 T333 V334 T367 V370 H371 V374 L434 | Y263-L330 HydrophobicContact CE2-CD2 4.38Å; F266-L330 HydrophobicContact CE1-CD2 4Å; F266-L330 HydrophobicContact CZ-CD1 4.49Å; F266-L330 HydrophobicContact CZ-CD2 3.97Å; F266-L330 HydrophobicContact CZ-CG 4.37Å; Q326-L330 PolarHBondContact O-N 3.3Å; Q328-L330 VanDerWaalsContact C-N 3.33Å; Q328-L330 PolarHBondContact O-N 3.05Å; L330-A332 PolarHBondContact O-N 3.35Å; L330-T333 PolarHBondContact O-N 3.41Å; L330-T333 PolarHBondContact O-OG1 2.99Å; L330-V334 HydrophobicContact CD1-CG2 4.05Å; L330-V334 HydrophobicContact CG-CG2 4.31Å; L330-V334 WeakPolarHBondContact O-CB 3.14Å; L330-V334 WeakPolarHBondContact O-CG2 3.44Å; L330-V334 PolarHBondContact O-N 3.08Å; L330-T367 HydrophobicContact CD1-CG2 4.26Å; L330-V370 HydrophobicContact CB-CG1 3.88Å; L330-V370 HydrophobicContact CD1-CB 4.44Å; L330-V370 HydrophobicContact CD1-CG1 4.32Å; L330-H371 HydrophobicContact CD1-CB 3.96Å; L330-V374 HydrophobicContact CB-CG2 4.07Å; L330-V374 HydrophobicContact CD2-CB 4.16Å; L330-V374 HydrophobicContact CD2-CG1 4.32Å; L330-V374 HydrophobicContact CD2-CG2 3.88Å; L330-L434 HydrophobicContact CB-CD1 4.34Å; L330-L434 HydrophobicContact CD2-CD1 3.96Å; L330-L434 HydrophobicContact CD2-CD2 4.04Å; L330-L434 HydrophobicContact CG-CD1 3.74Å |
| 331 | T | 93 | Very high | 84.4 | Confident | 11 Ų | 11 | 47.7 Ų | 47.7 | 7% | 0.067 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59 | -46.8 | 177.3 | -54.1 | 0 | 0 | 0 | 0 | 111.2 | V327 Q328 T333 V334 V335 A431 L434 L435 | V327-T331 WeakPolarHBondContact O-CB 3.48Å; V327-T331 PolarHBondContact O-N 3.36Å; V327-T331 PolarHBondContact O-OG1 3.09Å; Q328-T331 WeakPolarHBondContact O-CB 3.4Å; Q328-T331 PolarHBondContact O-N 3.07Å; T331-T333 PolarHBondContact O-N 3.24Å; T331-V334 PolarHBondContact O-N 3.32Å; T331-V335 HydrophobicContact CG2-CG2 4.4Å; T331-V335 VanDerWaalsContact O-CG2 3.3Å; T331-V335 WeakPolarHBondContact O-CG2 3.33Å; T331-V335 PolarHBondContact O-N 3.44Å; T331-A431 HydrophobicContact CG2-CB 4.32Å; T331-L434 HydrophobicContact CG2-CB 4.46Å; T331-L434 VanDerWaalsContact OG1-CB 3.27Å; T331-L434 WeakPolarHBondContact OG1-CB 3.45Å; T331-L435 HydrophobicContact CG2-CD2 3.82Å; T331-L435 HydrophobicContact CG2-CG 3.94Å |
| 332 | A | 93 | Very high | 86.5 | Confident | 62 Ų | 62 | 43.4 Ų | 43.4 | 51% | 0.512 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.2 | -45.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q328 Q329 L330 V335 L336 | Q328-A332 PolarHBondContact O-N 2.91Å; Q329-A332 PolarHBondContact O-N 3.01Å; L330-A332 PolarHBondContact O-N 3.35Å; A332-V335 PolarHBondContact O-N 3.5Å; A332-L336 WeakPolarHBondContact O-CB 3.5Å; A332-L336 PolarHBondContact O-N 3.17Å |
| 333 | T | 93.4 | Very high | 88.5 | Confident | 25 Ų | 25 | 45.1 Ų | 45.1 | 15% | 0.153 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.8 | -39.6 | 178.4 | 52.6 | 0 | 0 | 0 | 0 | 112.4 | Q329 L330 T331 L336 L337 V363 A366 | Q329-T333 WeakPolarHBondContact O-CG2 3.46Å; Q329-T333 PolarHBondContact O-N 3.02Å; Q329-T333 VanDerWaalsContact O-N 3.09Å; Q329-T333 PolarHBondContact O-OG1 3.4Å; Q329-T333 VanDerWaalsContact O-OG1 3.13Å; L330-T333 PolarHBondContact O-N 3.41Å; L330-T333 PolarHBondContact O-OG1 2.99Å; T331-T333 PolarHBondContact O-N 3.24Å; T333-L336 PolarHBondContact O-N 2.95Å; T333-L337 WeakPolarHBondContact O-CB 3.26Å; T333-L337 PolarHBondContact O-N 3.36Å; T333-V363 WeakPolarHBondContact O-CG1 3.42Å; T333-A366 HydrophobicContact CG2-CB 4.33Å |
| 334 | V | 95.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.6 | -41.7 | 176.8 | 171.7 | 0 | 0 | 0 | 0 | 112.1 | F266 L330 T331 L337 G338 T367 L427 S430 A431 L434 | F266-V334 HydrophobicContact CE2-CG1 4.36Å; F266-V334 HydrophobicContact CE2-CG2 3.89Å; F266-V334 HydrophobicContact CZ-CG2 4.27Å; L330-V334 HydrophobicContact CD1-CG2 4.05Å; L330-V334 HydrophobicContact CG-CG2 4.31Å; L330-V334 WeakPolarHBondContact O-CB 3.14Å; L330-V334 WeakPolarHBondContact O-CG2 3.44Å; L330-V334 PolarHBondContact O-N 3.08Å; T331-V334 PolarHBondContact O-N 3.32Å; V334-L337 PolarHBondContact O-N 3.02Å; V334-G338 PolarHBondContact O-N 3.34Å; V334-T367 HydrophobicContact CG2-CG2 3.74Å; V334-L427 HydrophobicContact CG1-CB 4.43Å; V334-L427 HydrophobicContact CG1-CD2 4.37Å; V334-S430 VanDerWaalsContact CG1-OG 3.29Å; V334-S430 WeakPolarHBondContact CG1-OG 3.49Å; V334-A431 HydrophobicContact CG1-CB 4.16Å; V334-L434 HydrophobicContact CG2-CD1 4.34Å |
| 335 | V | 96.8 | Very high | 92.2 | Very high | 61 Ų | 61 | 34.5 Ų | 34.5 | 37% | 0.37 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -62.8 | -44.8 | 174.7 | 170.2 | 0 | 0 | 0 | 0 | 110.6 | T331 A332 L337 G338 A339 I428 A431 | T331-V335 HydrophobicContact CG2-CG2 4.4Å; T331-V335 VanDerWaalsContact O-CG2 3.3Å; T331-V335 WeakPolarHBondContact O-CG2 3.33Å; T331-V335 PolarHBondContact O-N 3.44Å; A332-V335 PolarHBondContact O-N 3.5Å; V335-L337 VanDerWaalsContact C-N 3.33Å; V335-L337 PolarHBondContact O-N 2.95Å; V335-G338 PolarHBondContact O-N 3.24Å; V335-A339 WeakPolarHBondContact O-CB 3.41Å; V335-A339 PolarHBondContact O-N 2.99Å; V335-I428 HydrophobicContact CG1-CD1 4.25Å; V335-A431 HydrophobicContact CG2-CB 3.5Å; V335-A431 VanDerWaalsContact CG2-CB 3.5Å |
| 336 | L | 96.5 | Very high | 93.1 | Very high | 93 Ų | 93 | 38.2 Ų | 38.2 | 49% | 0.487 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61.3 | -43 | 176.7 | -178.7 | 60.7 | 0 | 0 | 0 | 111.4 | A332 T333 A339 V340 V363 | A332-L336 WeakPolarHBondContact O-CB 3.5Å; A332-L336 PolarHBondContact O-N 3.17Å; T333-L336 PolarHBondContact O-N 2.95Å; L336-A339 PolarHBondContact O-N 3.45Å; L336-V340 WeakPolarHBondContact O-CG2 3.33Å; L336-V340 PolarHBondContact O-N 3.37Å; L336-V363 HydrophobicContact CB-CG1 4.09Å; L336-V363 HydrophobicContact CD2-CG1 4.01Å; L336-V363 HydrophobicContact CD2-CG2 3.67Å; L336-V363 HydrophobicContact CG-CG1 3.9Å; L336-V363 HydrophobicContact CG-CG2 3.92Å |
| 337 | L | 96.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.1 | -44.4 | 176.9 | -171.6 | 59.9 | 0 | 0 | 0 | 111.5 | F274 T333 V334 V335 A339 V340 L341 V363 Y364 T367 L427 | F274-L337 HydrophobicContact CD1-CD2 4.1Å; F274-L337 HydrophobicContact CE1-CD2 3.63Å; T333-L337 WeakPolarHBondContact O-CB 3.26Å; T333-L337 PolarHBondContact O-N 3.36Å; V334-L337 PolarHBondContact O-N 3.02Å; V335-L337 VanDerWaalsContact C-N 3.33Å; V335-L337 PolarHBondContact O-N 2.95Å; L337-A339 VanDerWaalsContact C-N 3.34Å; L337-A339 PolarHBondContact O-N 3.44Å; L337-V340 PolarHBondContact O-N 3.13Å; L337-L341 WeakPolarHBondContact O-CG 3.43Å; L337-L341 PolarHBondContact O-N 3.22Å; L337-V363 HydrophobicContact CB-CG1 3.76Å; L337-V363 HydrophobicContact CD1-CB 4.21Å; L337-V363 HydrophobicContact CD1-CG1 4.12Å; L337-Y364 HydrophobicContact CD2-CD2 4.06Å; L337-T367 HydrophobicContact CD2-CG2 4.5Å; L337-L427 HydrophobicContact CB-CD1 4.12Å; L337-L427 HydrophobicContact CD2-CD1 3.86Å; L337-L427 HydrophobicContact CG-CD1 3.68Å |
| 338 | G | 97.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.5 | -44.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | V334 V335 L341 L342 | V334-G338 PolarHBondContact O-N 3.34Å; V335-G338 PolarHBondContact O-N 3.24Å; G338-L341 PolarHBondContact O-N 3.47Å; G338-L342 VanDerWaalsContact O-CG 3.32Å; G338-L342 WeakPolarHBondContact O-CG 3.48Å; G338-L342 PolarHBondContact O-N 2.94Å |
| 339 | A | 97.3 | Very high | 94.6 | Very high | 38 Ų | 38 | 38.4 Ų | 38.4 | 31% | 0.314 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61.8 | -44.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | V335 L336 L337 L341 L342 L343 | V335-A339 WeakPolarHBondContact O-CB 3.41Å; V335-A339 PolarHBondContact O-N 2.99Å; L336-A339 PolarHBondContact O-N 3.45Å; L337-A339 VanDerWaalsContact C-N 3.34Å; L337-A339 PolarHBondContact O-N 3.44Å; A339-L341 VanDerWaalsContact C-N 3.33Å; A339-L341 PolarHBondContact O-N 3.33Å; A339-L342 PolarHBondContact O-N 2.82Å; A339-L343 WeakPolarHBondContact O-CG 3.3Å; A339-L343 PolarHBondContact O-N 3.38Å; A339-L343 VanDerWaalsContact O-N 3.12Å |
| 340 | V | 97.3 | Very high | 95 | Very high | 19 Ų | 19 | 40.1 Ų | 40.1 | 12% | 0.115 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.6 | -44.4 | 175.5 | 170.8 | 0 | 0 | 0 | 0 | 111 | L336 L337 L343 C344 F356 A359 H360 | L336-V340 WeakPolarHBondContact O-CG2 3.33Å; L336-V340 PolarHBondContact O-N 3.37Å; L337-V340 PolarHBondContact O-N 3.13Å; V340-L343 PolarHBondContact O-N 3.43Å; V340-C344 PolarHBondContact O-N 3.37Å; V340-F356 HydrophobicContact CG1-CD2 3.85Å; V340-F356 HydrophobicContact CG1-CE2 3.74Å; V340-F356 WeakPolarHBondContact O-CE2 2.99Å; V340-A359 HydrophobicContact CG1-CB 4.27Å; V340-A359 HydrophobicContact CG2-CB 4.38Å; V340-H360 HydrophobicContact CG1-CB 4.03Å |
| 341 | L | 96.8 | Very high | 95.4 | Very high | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.7 | -39.6 | 177 | -65.7 | -174.4 | 0 | 0 | 0 | 113 | P277 L337 G338 A339 L343 C344 F356 F420 L427 | P277-L341 HydrophobicContact CG-CD2 3.45Å; P277-L341 VanDerWaalsContact CG-CD2 3.45Å; L337-L341 WeakPolarHBondContact O-CG 3.43Å; L337-L341 PolarHBondContact O-N 3.22Å; G338-L341 PolarHBondContact O-N 3.47Å; A339-L341 VanDerWaalsContact C-N 3.33Å; A339-L341 PolarHBondContact O-N 3.33Å; L341-L343 PolarHBondContact O-N 3.45Å; L341-C344 VanDerWaalsContact O-CB 3.26Å; L341-C344 WeakPolarHBondContact O-CB 3.44Å; L341-C344 PolarHBondContact O-N 2.95Å; L341-F356 HydrophobicContact CD2-CE2 4.25Å; L341-F356 HydrophobicContact CD2-CZ 4.01Å; L341-F420 HydrophobicContact CD2-CD1 4.25Å; L341-L427 HydrophobicContact CD1-CD1 3.52Å; L341-L427 HydrophobicContact CD1-CG 4.49Å; L341-L427 HydrophobicContact CG-CD1 4.41Å |
| 342 | L | 96.9 | Very high | 95.6 | Very high | 59 Ų | 59 | 47.9 Ų | 47.9 | 31% | 0.309 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64.2 | -28.3 | 177.2 | -71.1 | 173.1 | 0 | 0 | 0 | 112.8 | G338 A339 P345 L421 V425 I428 | G338-L342 VanDerWaalsContact O-CG 3.32Å; G338-L342 WeakPolarHBondContact O-CG 3.48Å; G338-L342 PolarHBondContact O-N 2.94Å; A339-L342 PolarHBondContact O-N 2.82Å; L342-P345 WeakPolarHBondContact O-CD 3.27Å; L342-L421 HydrophobicContact CD2-CD2 3.99Å; L342-V425 HydrophobicContact CD2-CG2 4.02Å; L342-I428 HydrophobicContact CD1-CG1 4.22Å |
| 343 | L | 95.1 | Very high | 95.8 | Very high | 109 Ų | 109 | 44.9 Ų | 44.9 | 57% | 0.571 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -82.7 | -15.6 | 177.9 | -66.2 | 171.8 | 0 | 0 | 0 | 113.2 | A339 V340 L341 P345 L346 | A339-L343 WeakPolarHBondContact O-CG 3.3Å; A339-L343 PolarHBondContact O-N 3.38Å; A339-L343 VanDerWaalsContact O-N 3.12Å; V340-L343 PolarHBondContact O-N 3.43Å; L341-L343 PolarHBondContact O-N 3.45Å; L343-P345 VanDerWaalsContact C-CD 3.43Å; L343-L346 HydrophobicContact CD2-CD1 3.81Å; L343-L346 WeakPolarHBondContact O-CB 3.37Å; L343-L346 PolarHBondContact O-N 3.09Å; L343-L346 VanDerWaalsContact O-N 3.1Å |
| 344 | C | 95.6 | Very high | 96 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -51.9 | -44.6 | -178.6 | -173.1 | 0 | 0 | 0 | 0 | 114.3 | Y284 V340 L341 L346 A347 F356 F420 | Y284-C344 PolarHBondContact OH-O 3.24Å; V340-C344 PolarHBondContact O-N 3.37Å; L341-C344 VanDerWaalsContact O-CB 3.26Å; L341-C344 WeakPolarHBondContact O-CB 3.44Å; L341-C344 PolarHBondContact O-N 2.95Å; C344-L346 PolarHBondContact O-N 2.89Å; C344-A347 WeakPolarHBondContact O-CB 3.45Å; C344-A347 PolarHBondContact O-N 3.39Å; C344-F356 HydrophobicContact CB-CD2 3.81Å; C344-F356 HydrophobicContact CB-CE1 4.4Å; C344-F356 HydrophobicContact CB-CE2 3.44Å; C344-F356 VanDerWaalsContact CB-CE2 3.44Å; C344-F356 HydrophobicContact CB-CG 4.44Å; C344-F356 HydrophobicContact CB-CZ 3.77Å; C344-F356 VanDerWaalsContact SG-CZ 3.59Å; C344-F420 HydrophobicContact CB-CB 3.86Å; C344-F420 HydrophobicContact CB-CD1 3.85Å; C344-F420 HydrophobicContact CB-CG 3.85Å; C344-F420 VanDerWaalsContact SG-CD1 3.54Å |
| 345 | P | 94.1 | Very high | 96.1 | Very high | 42 Ų | 42 | 48.6 Ų | 48.6 | 27% | 0.273 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -62.7 | -15.4 | -178.5 | -22.1 | 34.1 | 0 | 0 | 0 | 115 | Y284 L342 L343 A347 L421 | Y284-P345 WeakPolarHBondContact OH-CA 3.4Å; Y284-P345 PolarHBondContact OH-O 2.83Å; L342-P345 WeakPolarHBondContact O-CD 3.27Å; L343-P345 VanDerWaalsContact C-CD 3.43Å; P345-A347 VanDerWaalsContact C-N 3.31Å; P345-L421 HydrophobicContact CG-CD1 4.28Å; P345-L421 HydrophobicContact CG-CD2 3.84Å; P345-L421 HydrophobicContact CG-CG 3.72Å |
| 346 | L | 93.3 | Very high | 96.1 | Very high | 132 Ų | 132 | 46.4 Ų | 46.4 | 69% | 0.691 | 27% | 0.271 | S | S | * | . | G | 310 helix | trans | -79.2 | -16.4 | 175.1 | -60.7 | 168.9 | 0 | 0 | 0 | 112.1 | L343 C344 | L343-L346 HydrophobicContact CD2-CD1 3.81Å; L343-L346 WeakPolarHBondContact O-CB 3.37Å; L343-L346 PolarHBondContact O-N 3.09Å; L343-L346 VanDerWaalsContact O-N 3.1Å; C344-L346 PolarHBondContact O-N 2.89Å |
| 347 | A | 93.7 | Very high | 96.2 | Very high | 8 Ų | 8 | 42 Ų | 42 | 7% | 0.066 | 25% | 0.248 | C | C | . | . | trans | -89 | 110.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111 | Y284 C344 P345 E352 L353 | Y284-A347 WeakPolarHBondContact CE1-O 3.38Å; Y284-A347 PolarHBondContact OH-O 2.85Å; C344-A347 WeakPolarHBondContact O-CB 3.45Å; C344-A347 PolarHBondContact O-N 3.39Å; P345-A347 VanDerWaalsContact C-N 3.31Å; A347-E352 WeakPolarHBondContact CA-OE2 3.26Å; A347-E352 HydrophobicContact CB-CB 3.69Å; A347-L353 HydrophobicContact CB-CD2 3.9Å; A347-L353 HydrophobicContact CB-CG 4.09Å | ||
| 348 | S | 92.2 | Very high | 96.2 | Very high | 56 Ų | 56 | 43.4 Ų | 43.4 | 39% | 0.392 | 26% | 0.259 | S | S | . | . | trans | -113.5 | -25 | -179 | 60.3 | 0 | 0 | 0 | 0 | 112.8 | E352 | S348-E352 PolarHBondContact N-OE2 2.99Å; S348-E352 PolarHBondContact OG-OE2 3.01Å | ||
| 349 | T | 95.8 | Very high | 96.3 | Very high | 61 Ų | 61 | 45.2 Ų | 45.2 | 37% | 0.374 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -99.6 | 159.3 | -177.9 | 67.5 | 0 | 0 | 0 | 0 | 112.4 | E352 L353 | T349-E352 PolarHBondContact N-OE2 3.48Å; T349-E352 PolarHBondContact O-N 3.18Å; T349-E352 VanDerWaalsContact OG1-CG 3.25Å; T349-E352 WeakPolarHBondContact OG1-CG 3.27Å; T349-E352 PolarHBondContact OG1-OE1 3.15Å; T349-E352 PolarHBondContact OG1-OE2 3.18Å; T349-L353 PolarHBondContact O-N 3.37Å |
| 350 | F | 96.3 | Very high | 96.2 | Very high | 64 Ų | 64 | 44 Ų | 44 | 28% | 0.281 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -56.1 | -46 | 179 | -179.6 | -112.2 | 0 | 0 | 0 | 113.5 | L290 Q294 L298 E352 L353 V354 | L290-F350 HydrophobicContact CD1-CB 4.3Å; L290-F350 HydrophobicContact CD1-CD2 4.24Å; L290-F350 HydrophobicContact CD2-CB 3.81Å; Q294-F350 HydrophobicContact CB-CD2 3.73Å; Q294-F350 HydrophobicContact CB-CE2 3.61Å; Q294-F350 HydrophobicContact CB-CZ 4.44Å; Q294-F350 HydrophobicContact CG-CD2 3.81Å; Q294-F350 HydrophobicContact CG-CE2 3.7Å; Q294-F350 HydrophobicContact CG-CG 4.32Å; Q294-F350 HydrophobicContact CG-CZ 4.11Å; L298-F350 HydrophobicContact CD2-CD2 4.47Å; L298-F350 HydrophobicContact CD2-CE2 4.19Å; F350-E352 PolarHBondContact O-N 3.19Å; F350-L353 PolarHBondContact O-N 3.21Å; F350-V354 HydrophobicContact CD1-CG2 4.27Å; F350-V354 HydrophobicContact CD2-CG2 4.14Å; F350-V354 HydrophobicContact CE1-CG2 3.89Å; F350-V354 HydrophobicContact CE2-CG2 3.75Å; F350-V354 HydrophobicContact CG-CG2 4.39Å; F350-V354 HydrophobicContact CZ-CG2 3.61Å; F350-V354 WeakPolarHBondContact O-CB 3.23Å; F350-V354 VanDerWaalsContact O-CG2 3.28Å; F350-V354 WeakPolarHBondContact O-CG2 3.35Å; F350-V354 PolarHBondContact O-N 2.66Å |
| 351 | P | 97.3 | Very high | 96.2 | Very high | 90 Ų | 90 | 43.1 Ų | 43.1 | 58% | 0.584 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -62.8 | -38.3 | 177.3 | -23.1 | 35.4 | 0 | 0 | 0 | 113.6 | V354 A355 | P351-V354 PolarHBondContact O-N 2.92Å; P351-A355 WeakPolarHBondContact O-CB 3.45Å; P351-A355 PolarHBondContact O-N 2.92Å |
| 352 | E | 96.9 | Very high | 96.2 | Very high | 84 Ų | 84 | 45.3 Ų | 45.3 | 39% | 0.393 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64.2 | -43.9 | 176.5 | -69.7 | 162.6 | -169.9 | 0 | 0 | 111.1 | A347 S348 T349 F350 A355 F356 | A347-E352 WeakPolarHBondContact CA-OE2 3.26Å; A347-E352 HydrophobicContact CB-CB 3.69Å; S348-E352 PolarHBondContact N-OE2 2.99Å; S348-E352 PolarHBondContact OG-OE2 3.01Å; T349-E352 PolarHBondContact N-OE2 3.48Å; T349-E352 PolarHBondContact O-N 3.18Å; T349-E352 VanDerWaalsContact OG1-CG 3.25Å; T349-E352 WeakPolarHBondContact OG1-CG 3.27Å; T349-E352 PolarHBondContact OG1-OE1 3.15Å; T349-E352 PolarHBondContact OG1-OE2 3.18Å; F350-E352 PolarHBondContact O-N 3.19Å; E352-A355 PolarHBondContact O-N 3.27Å; E352-F356 WeakPolarHBondContact O-CB 3.23Å; E352-F356 PolarHBondContact O-N 3.49Å |
| 353 | L | 97.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -68.8 | -33.3 | 177.4 | -76.4 | 170 | 0 | 0 | 0 | 112.7 | L281 Y284 A285 L290 L298 A347 T349 F350 S357 | L281-L353 HydrophobicContact CD1-CD2 4.27Å; Y284-L353 HydrophobicContact CD1-CD2 3.88Å; Y284-L353 HydrophobicContact CE1-CD2 3.72Å; A285-L353 HydrophobicContact CB-CD1 4.2Å; L290-L353 HydrophobicContact CD1-CD1 3.42Å; L290-L353 VanDerWaalsContact CD1-CD1 3.42Å; L298-L353 HydrophobicContact CD1-CB 3.83Å; L298-L353 HydrophobicContact CD1-CD1 4.27Å; L298-L353 HydrophobicContact CD1-CG 4.49Å; L298-L353 HydrophobicContact CD2-CB 3.9Å; A347-L353 HydrophobicContact CB-CD2 3.9Å; A347-L353 HydrophobicContact CB-CG 4.09Å; T349-L353 PolarHBondContact O-N 3.37Å; F350-L353 PolarHBondContact O-N 3.21Å; L353-S357 VanDerWaalsContact O-CB 3.27Å; L353-S357 WeakPolarHBondContact O-CB 3.48Å; L353-S357 PolarHBondContact O-N 3.36Å |
| 354 | V | 97.9 | Very high | 96.1 | Very high | 40 Ų | 40 | 39.5 Ų | 39.5 | 24% | 0.242 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.3 | -46.3 | 171 | 165 | 0 | 0 | 0 | 0 | 110.6 | L298 I301 F350 P351 S357 A358 | L298-V354 HydrophobicContact CD2-CB 4.47Å; L298-V354 HydrophobicContact CD2-CG2 3.77Å; I301-V354 HydrophobicContact CD1-CG1 4.11Å; I301-V354 HydrophobicContact CD1-CG2 3.93Å; F350-V354 HydrophobicContact CD1-CG2 4.27Å; F350-V354 HydrophobicContact CD2-CG2 4.14Å; F350-V354 HydrophobicContact CE1-CG2 3.89Å; F350-V354 HydrophobicContact CE2-CG2 3.75Å; F350-V354 HydrophobicContact CG-CG2 4.39Å; F350-V354 HydrophobicContact CZ-CG2 3.61Å; F350-V354 WeakPolarHBondContact O-CB 3.23Å; F350-V354 VanDerWaalsContact O-CG2 3.28Å; F350-V354 WeakPolarHBondContact O-CG2 3.35Å; F350-V354 PolarHBondContact O-N 2.66Å; P351-V354 PolarHBondContact O-N 2.92Å; V354-S357 PolarHBondContact O-N 3.25Å; V354-A358 WeakPolarHBondContact O-CB 3.47Å; V354-A358 PolarHBondContact O-N 2.87Å |
| 355 | A | 97.8 | Very high | 95.9 | Very high | 62 Ų | 62 | 39.5 Ų | 39.5 | 51% | 0.512 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61.4 | -44.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | P351 E352 A359 | P351-A355 WeakPolarHBondContact O-CB 3.45Å; P351-A355 PolarHBondContact O-N 2.92Å; E352-A355 PolarHBondContact O-N 3.27Å; A355-A359 WeakPolarHBondContact O-CB 3.35Å; A355-A359 PolarHBondContact O-N 3.49Å |
| 356 | F | 97.6 | Very high | 95.8 | Very high | 16 Ų | 16 | 37.7 Ų | 37.7 | 7% | 0.07 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57.6 | -50.3 | 172.5 | 165.9 | -98.5 | 0 | 0 | 0 | 111.6 | L281 V340 L341 C344 E352 A358 A359 H360 F420 | L281-F356 HydrophobicContact CD1-CD1 4.04Å; L281-F356 HydrophobicContact CD1-CE1 3.8Å; L281-F356 HydrophobicContact CD2-CE1 4.35Å; V340-F356 HydrophobicContact CG1-CD2 3.85Å; V340-F356 HydrophobicContact CG1-CE2 3.74Å; V340-F356 WeakPolarHBondContact O-CE2 2.99Å; L341-F356 HydrophobicContact CD2-CE2 4.25Å; L341-F356 HydrophobicContact CD2-CZ 4.01Å; C344-F356 HydrophobicContact CB-CD2 3.81Å; C344-F356 HydrophobicContact CB-CE1 4.4Å; C344-F356 HydrophobicContact CB-CE2 3.44Å; C344-F356 VanDerWaalsContact CB-CE2 3.44Å; C344-F356 HydrophobicContact CB-CG 4.44Å; C344-F356 HydrophobicContact CB-CZ 3.77Å; C344-F356 VanDerWaalsContact SG-CZ 3.59Å; E352-F356 WeakPolarHBondContact O-CB 3.23Å; E352-F356 PolarHBondContact O-N 3.49Å; F356-A358 VanDerWaalsContact C-N 3.34Å; F356-A358 PolarHBondContact O-N 3.3Å; F356-A359 PolarHBondContact O-N 2.66Å; F356-H360 HydrophobicContact CE1-CB 4.49Å; F356-H360 HydrophobicContact CE2-CB 4.39Å; F356-H360 HydrophobicContact CZ-CB 4.22Å; F356-H360 VanDerWaalsContact O-CB 3.26Å; F356-H360 WeakPolarHBondContact O-CB 3.32Å; F356-H360 PolarHBondContact O-N 2.87Å; F356-F420 HydrophobicContact CE1-CE1 4.17Å; F356-F420 HydrophobicContact CZ-CD1 4.04Å; F356-F420 AromaticContact CZ-CE1 3.96Å; F356-F420 HydrophobicContact CZ-CE1 3.96Å |
| 357 | S | 97.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.5 | -40 | -176.6 | -177.6 | 0 | 0 | 0 | 0 | 112.7 | L298 S302 L353 V354 G361 | L298-S357 PolarHBondContact O-OG 3.49Å; S302-S357 VanDerWaalsContact CB-OG 3.23Å; S302-S357 WeakPolarHBondContact CB-OG 3.48Å; S302-S357 PolarHBondContact N-OG 3.35Å; S302-S357 PolarHBondContact OG-O 3.46Å; S302-S357 VanDerWaalsContact OG-O 3.09Å; L353-S357 VanDerWaalsContact O-CB 3.27Å; L353-S357 WeakPolarHBondContact O-CB 3.48Å; L353-S357 PolarHBondContact O-N 3.36Å; V354-S357 PolarHBondContact O-N 3.25Å; S357-G361 PolarHBondContact O-N 2.91Å |
| 358 | A | 97.9 | Very high | 95.4 | Very high | 29 Ų | 29 | 32.7 Ų | 32.7 | 24% | 0.24 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.1 | -47.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | I301 L305 V354 F356 G361 L362 | I301-A358 HydrophobicContact CG2-CB 4.11Å; L305-A358 HydrophobicContact CD2-CB 4.38Å; L305-A358 HydrophobicContact CG-CB 4.17Å; V354-A358 WeakPolarHBondContact O-CB 3.47Å; V354-A358 PolarHBondContact O-N 2.87Å; F356-A358 VanDerWaalsContact C-N 3.34Å; F356-A358 PolarHBondContact O-N 3.3Å; A358-G361 PolarHBondContact O-N 3Å; A358-L362 WeakPolarHBondContact O-CB 3.49Å; A358-L362 PolarHBondContact O-N 3.47Å |
| 359 | A | 97.4 | Very high | 95.1 | Very high | 38 Ų | 38 | 31 Ų | 31 | 31% | 0.314 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -62.6 | -46.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | V340 A355 F356 L362 V363 | V340-A359 HydrophobicContact CG1-CB 4.27Å; V340-A359 HydrophobicContact CG2-CB 4.38Å; A355-A359 WeakPolarHBondContact O-CB 3.35Å; A355-A359 PolarHBondContact O-N 3.49Å; F356-A359 PolarHBondContact O-N 2.66Å; A359-L362 PolarHBondContact O-N 2.57Å; A359-V363 WeakPolarHBondContact O-CB 3.37Å; A359-V363 VanDerWaalsContact O-CG2 3.23Å; A359-V363 WeakPolarHBondContact O-CG2 3.38Å; A359-V363 PolarHBondContact O-N 3.33Å |
| 360 | H | 96.6 | Very high | 94.6 | Very high | 13 Ų | 13 | 28.3 Ų | 28.3 | 6% | 0.06 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -58.1 | -52.3 | 176.6 | 169.7 | -94.9 | 0 | 0 | 0 | 111.2 | P277 S302 V340 F356 L362 V363 Y364 | P277-H360 VanDerWaalsContact CB-CE1 3.48Å; P277-H360 WeakPolarHBondContact CB-CE1 3.45Å; P277-H360 WeakPolarHBondContact CG-NE2 3.39Å; S302-H360 PolarHBondContact OG-ND1 3.17Å; S302-H360 VanDerWaalsContact OG-ND1 3.08Å; V340-H360 HydrophobicContact CG1-CB 4.03Å; F356-H360 HydrophobicContact CE1-CB 4.49Å; F356-H360 HydrophobicContact CE2-CB 4.39Å; F356-H360 HydrophobicContact CZ-CB 4.22Å; F356-H360 VanDerWaalsContact O-CB 3.26Å; F356-H360 WeakPolarHBondContact O-CB 3.32Å; F356-H360 PolarHBondContact O-N 2.87Å; H360-L362 PolarHBondContact O-N 2.79Å; H360-V363 PolarHBondContact O-N 3.49Å; H360-Y364 AromaticContact NE2-CD2 3.91Å; H360-Y364 WeakPolarHBondContact O-CB 3.3Å; H360-Y364 PolarHBondContact O-N 3.09Å |
| 361 | G | 96.4 | Very high | 94 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -56.6 | -50.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | S302 D306 S357 A358 V363 Y364 G365 | S302-G361 WeakPolarHBondContact O-CA 3.15Å; S302-G361 WeakPolarHBondContact OG-CA 3.43Å; S302-G361 PolarHBondContact OG-N 3.42Å; D306-G361 WeakPolarHBondContact CA-O 3.5Å; D306-G361 PolarHBondContact N-O 2.74Å; S357-G361 PolarHBondContact O-N 2.91Å; A358-G361 PolarHBondContact O-N 3Å; G361-V363 PolarHBondContact O-N 3.2Å; G361-Y364 PolarHBondContact O-N 3.22Å; G361-G365 PolarHBondContact O-N 3.22Å |
| 362 | L | 96.4 | Very high | 93 | Very high | 49 Ų | 49 | 27.8 Ų | 27.8 | 26% | 0.257 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -58 | -49.9 | -179.7 | -173 | 69.3 | 0 | 0 | 0 | 112.5 | L305 F308 F313 A358 A359 H360 G365 A366 | L305-L362 HydrophobicContact CB-CB 4.4Å; L305-L362 WeakPolarHBondContact O-CA 3.45Å; F308-L362 HydrophobicContact CD1-CD1 3.55Å; F308-L362 HydrophobicContact CE1-CD1 4.13Å; F313-L362 HydrophobicContact CD2-CD1 4.42Å; F313-L362 HydrophobicContact CE2-CD1 3.8Å; F313-L362 HydrophobicContact CE2-CD2 4.2Å; F313-L362 HydrophobicContact CE2-CG 3.84Å; A358-L362 WeakPolarHBondContact O-CB 3.49Å; A358-L362 PolarHBondContact O-N 3.47Å; A359-L362 PolarHBondContact O-N 2.57Å; H360-L362 PolarHBondContact O-N 2.79Å; L362-G365 PolarHBondContact O-N 3.3Å; L362-A366 PolarHBondContact O-N 2.99Å; L362-A366 VanDerWaalsContact O-N 3.08Å |
| 363 | V | 95.8 | Very high | 92 | Very high | 14 Ų | 14 | 25.7 Ų | 25.7 | 9% | 0.085 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -72.7 | -36.5 | -177 | -178.7 | 0 | 0 | 0 | 0 | 111.2 | T333 L336 L337 A359 H360 G361 A366 T367 | T333-V363 WeakPolarHBondContact O-CG1 3.42Å; L336-V363 HydrophobicContact CB-CG1 4.09Å; L336-V363 HydrophobicContact CD2-CG1 4.01Å; L336-V363 HydrophobicContact CD2-CG2 3.67Å; L336-V363 HydrophobicContact CG-CG1 3.9Å; L336-V363 HydrophobicContact CG-CG2 3.92Å; L337-V363 HydrophobicContact CB-CG1 3.76Å; L337-V363 HydrophobicContact CD1-CB 4.21Å; L337-V363 HydrophobicContact CD1-CG1 4.12Å; A359-V363 WeakPolarHBondContact O-CB 3.37Å; A359-V363 VanDerWaalsContact O-CG2 3.23Å; A359-V363 WeakPolarHBondContact O-CG2 3.38Å; A359-V363 PolarHBondContact O-N 3.33Å; H360-V363 PolarHBondContact O-N 3.49Å; G361-V363 PolarHBondContact O-N 3.2Å; V363-A366 PolarHBondContact O-N 2.88Å; V363-T367 WeakPolarHBondContact O-CB 3.38Å; V363-T367 PolarHBondContact O-N 3.41Å; V363-T367 PolarHBondContact O-OG1 2.88Å |
| 364 | Y | 94.4 | Very high | 91.3 | Very high | 31 Ų | 31 | 25.7 Ų | 25.7 | 12% | 0.122 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.6 | -47.6 | 174 | -175.8 | -91.5 | 0 | 0 | 0 | 110.7 | F274 L337 H360 G361 A366 T367 V368 | F274-Y364 HydrophobicContact CB-CE2 4.15Å; F274-Y364 HydrophobicContact CD1-CD2 4.39Å; F274-Y364 AromaticContact CD1-CE2 3.94Å; F274-Y364 HydrophobicContact CD1-CE2 3.94Å; F274-Y364 HydrophobicContact CE1-CE2 4.48Å; F274-Y364 AromaticContact CG-CE2 3.96Å; F274-Y364 HydrophobicContact CG-CE2 3.96Å; L337-Y364 HydrophobicContact CD2-CD2 4.06Å; H360-Y364 AromaticContact NE2-CD2 3.91Å; H360-Y364 WeakPolarHBondContact O-CB 3.3Å; H360-Y364 PolarHBondContact O-N 3.09Å; G361-Y364 PolarHBondContact O-N 3.22Å; Y364-A366 VanDerWaalsContact C-N 3.35Å; Y364-A366 PolarHBondContact O-N 3.47Å; Y364-T367 WeakPolarHBondContact O-CB 3.19Å; Y364-T367 PolarHBondContact O-N 2.84Å; Y364-T367 VanDerWaalsContact O-N 3.15Å; Y364-V368 HydrophobicContact CD1-CG2 3.98Å; Y364-V368 HydrophobicContact CE1-CG2 3.58Å; Y364-V368 WeakPolarHBondContact O-CG2 3.26Å; Y364-V368 PolarHBondContact O-N 3.04Å |
| 365 | G | 91.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.2 | -41.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | D306 R310 G361 L362 V368 A369 | D306-G365 WeakPolarHBondContact OD1-CA 3.35Å; D306-G365 PolarHBondContact OD1-N 3.37Å; R310-G365 WeakPolarHBondContact CA-O 3.4Å; R310-G365 WeakPolarHBondContact CG-O 3.24Å; G361-G365 PolarHBondContact O-N 3.22Å; L362-G365 PolarHBondContact O-N 3.3Å; G365-V368 PolarHBondContact O-N 2.83Å; G365-A369 PolarHBondContact O-N 3.23Å; G365-A369 VanDerWaalsContact O-N 3.08Å |
| 366 | A | 91.5 | Very high | 89.2 | Confident | 4 Ų | 4 | 23 Ų | 23 | 3% | 0.033 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.4 | -45.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | F313 T333 L362 V363 Y364 V368 A369 V370 | F313-A366 HydrophobicContact CB-CB 3.57Å; F313-A366 HydrophobicContact CD2-CB 3.71Å; F313-A366 HydrophobicContact CG-CB 3.74Å; T333-A366 HydrophobicContact CG2-CB 4.33Å; L362-A366 PolarHBondContact O-N 2.99Å; L362-A366 VanDerWaalsContact O-N 3.08Å; V363-A366 PolarHBondContact O-N 2.88Å; Y364-A366 VanDerWaalsContact C-N 3.35Å; Y364-A366 PolarHBondContact O-N 3.47Å; A366-V368 PolarHBondContact O-N 3.35Å; A366-A369 PolarHBondContact O-N 3.42Å; A366-V370 WeakPolarHBondContact O-CG2 3.4Å; A366-V370 PolarHBondContact O-N 2.98Å; A366-V370 VanDerWaalsContact O-N 3.07Å |
| 367 | T | 91.4 | Very high | 88.3 | Confident | 2 Ų | 2 | 27.1 Ų | 27.1 | 1% | 0.012 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.7 | -45.4 | 179.2 | -56.3 | 0 | 0 | 0 | 0 | 111.3 | F274 L330 V334 L337 V363 Y364 A369 V370 H371 | F274-T367 HydrophobicContact CZ-CG2 4.25Å; L330-T367 HydrophobicContact CD1-CG2 4.26Å; V334-T367 HydrophobicContact CG2-CG2 3.74Å; L337-T367 HydrophobicContact CD2-CG2 4.5Å; V363-T367 WeakPolarHBondContact O-CB 3.38Å; V363-T367 PolarHBondContact O-N 3.41Å; V363-T367 PolarHBondContact O-OG1 2.88Å; Y364-T367 WeakPolarHBondContact O-CB 3.19Å; Y364-T367 PolarHBondContact O-N 2.84Å; Y364-T367 VanDerWaalsContact O-N 3.15Å; T367-A369 PolarHBondContact O-N 3.5Å; T367-V370 PolarHBondContact O-N 3.4Å; T367-H371 WeakPolarHBondContact O-CB 3.44Å; T367-H371 PolarHBondContact O-N 3.09Å |
| 368 | V | 87.8 | Confident | 87.4 | Confident | 33 Ų | 33 | 27.8 Ų | 27.8 | 20% | 0.2 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.4 | -43 | 178.2 | 171.4 | 0 | 0 | 0 | 0 | 111.3 | Y364 G365 A366 H371 I372 | Y364-V368 HydrophobicContact CD1-CG2 3.98Å; Y364-V368 HydrophobicContact CE1-CG2 3.58Å; Y364-V368 WeakPolarHBondContact O-CG2 3.26Å; Y364-V368 PolarHBondContact O-N 3.04Å; G365-V368 PolarHBondContact O-N 2.83Å; A366-V368 PolarHBondContact O-N 3.35Å; V368-H371 PolarHBondContact O-N 3.48Å; V368-I372 HydrophobicContact CG1-CD1 4.4Å; V368-I372 WeakPolarHBondContact O-CG1 3.01Å |
| 369 | A | 85.4 | Confident | 86.3 | Confident | 20 Ų | 20 | 27.1 Ų | 27.1 | 17% | 0.165 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.4 | -44.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | G365 A366 T367 | G365-A369 PolarHBondContact O-N 3.23Å; G365-A369 VanDerWaalsContact O-N 3.08Å; A366-A369 PolarHBondContact O-N 3.42Å; T367-A369 PolarHBondContact O-N 3.5Å |
| 370 | V | 85.1 | Confident | 85 | Confident | 6 Ų | 6 | 26.9 Ų | 26.9 | 4% | 0.036 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -73.2 | -36.6 | 179 | -178.8 | 0 | 0 | 0 | 0 | 111.5 | A317 Q329 L330 A366 T367 I372 T373 V374 | A317-V370 HydrophobicContact CB-CG2 3.98Å; Q329-V370 HydrophobicContact CB-CG1 4.08Å; L330-V370 HydrophobicContact CB-CG1 3.88Å; L330-V370 HydrophobicContact CD1-CB 4.44Å; L330-V370 HydrophobicContact CD1-CG1 4.32Å; A366-V370 WeakPolarHBondContact O-CG2 3.4Å; A366-V370 PolarHBondContact O-N 2.98Å; A366-V370 VanDerWaalsContact O-N 3.07Å; T367-V370 PolarHBondContact O-N 3.4Å; V370-I372 VanDerWaalsContact C-N 3.27Å; V370-I372 PolarHBondContact O-N 2.78Å; V370-T373 PolarHBondContact O-N 3.01Å; V370-T373 VanDerWaalsContact O-N 3.12Å; V370-T373 PolarHBondContact O-OG1 3.48Å; V370-V374 HydrophobicContact CG1-CG2 4.47Å |
| 371 | H | 85 | Confident | 83.7 | Confident | 25 Ų | 25 | 31.8 Ų | 31.8 | 12% | 0.116 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -56.1 | -40.8 | -178.2 | 174.7 | 55.7 | 0 | 0 | 0 | 113 | Y263 F266 L330 T367 V368 T373 V374 F391 R395 | Y263-H371 AromaticContact CZ-CE1 3.87Å; Y263-H371 PolarHBondContact OH-CE1 3.48Å; Y263-H371 PolarHBondContact OH-ND1 3.38Å; Y263-H371 VanDerWaalsContact OH-ND1 3.12Å; Y263-H371 PolarHBondContact OH-O 3.38Å; F266-H371 AromaticContact CE1-CE1 3.75Å; F266-H371 AromaticContact CE1-ND1 3.59Å; L330-H371 HydrophobicContact CD1-CB 3.96Å; T367-H371 WeakPolarHBondContact O-CB 3.44Å; T367-H371 PolarHBondContact O-N 3.09Å; V368-H371 PolarHBondContact O-N 3.48Å; H371-T373 PolarHBondContact O-N 3.43Å; H371-V374 PolarHBondContact O-N 3.48Å; H371-F391 AromaticContact CE1-CE1 3.9Å; H371-F391 AromaticContact CE1-CZ 3.56Å; H371-F391 AromaticContact NE2-CE1 3.71Å; H371-F391 AromaticContact NE2-CZ 3.8Å; H371-R395 PolarHBondContact NE2-NH1 2.96Å; H371-R395 VanDerWaalsContact NE2-NH1 3.19Å |
| 372 | I | 75.3 | Confident | 82.3 | Confident | 117 Ų | 117 | 41.3 Ų | 41.3 | 60% | 0.6 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -65.8 | -27.3 | -177 | -62.7 | 165.8 | 0 | 0 | 0 | 111.8 | V368 V370 | V368-I372 HydrophobicContact CG1-CD1 4.4Å; V368-I372 WeakPolarHBondContact O-CG1 3.01Å; V370-I372 VanDerWaalsContact C-N 3.27Å; V370-I372 PolarHBondContact O-N 2.78Å |
| 373 | T | 76.7 | Confident | 80.9 | Confident | 41 Ų | 41 | 42.5 Ų | 42.5 | 25% | 0.252 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -82.7 | -27.1 | -176.9 | 70.9 | 0 | 0 | 0 | 0 | 113 | Q326 V370 H371 P376 | Q326-T373 PolarHBondContact OE1-O 3.17Å; Q326-T373 VanDerWaalsContact OE1-O 3.1Å; Q326-T373 PolarHBondContact OE1-OG1 3.39Å; V370-T373 PolarHBondContact O-N 3.01Å; V370-T373 VanDerWaalsContact O-N 3.12Å; V370-T373 PolarHBondContact O-OG1 3.48Å; H371-T373 PolarHBondContact O-N 3.43Å; T373-P376 WeakPolarHBondContact O-CD 3.32Å |
| 374 | V | 81.4 | Confident | 79.6 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -74.6 | -35.9 | -174.1 | 178.2 | 0 | 0 | 0 | 0 | 113.1 | Y263 Q326 V327 L330 V370 H371 E377 V378 | Y263-V374 HydrophobicContact CD2-CG1 4.34Å; Y263-V374 HydrophobicContact CE2-CB 4.21Å; Y263-V374 HydrophobicContact CE2-CG1 3.6Å; Q326-V374 HydrophobicContact CB-CG2 3.89Å; V327-V374 HydrophobicContact CG2-CG1 3.86Å; L330-V374 HydrophobicContact CB-CG2 4.07Å; L330-V374 HydrophobicContact CD2-CB 4.16Å; L330-V374 HydrophobicContact CD2-CG1 4.32Å; L330-V374 HydrophobicContact CD2-CG2 3.88Å; V370-V374 HydrophobicContact CG1-CG2 4.47Å; H371-V374 PolarHBondContact O-N 3.48Å; V374-E377 WeakPolarHBondContact O-CB 3.43Å; V374-E377 PolarHBondContact O-N 2.89Å; V374-V378 HydrophobicContact CG1-CG2 4.21Å; V374-V378 PolarHBondContact O-N 3.25Å |
| 375 | L | 77.4 | Confident | 78.3 | Confident | 8 Ų | 8 | 45.7 Ų | 45.7 | 4% | 0.042 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.4 | -46.9 | -175.5 | 175.8 | 65.9 | 0 | 0 | 0 | 112.9 | F260 Y263 E377 V378 V379 L384 L388 | F260-L375 HydrophobicContact CE2-CD1 4.45Å; Y263-L375 HydrophobicContact CD1-CD1 3.94Å; Y263-L375 HydrophobicContact CE1-CB 4.05Å; Y263-L375 HydrophobicContact CE1-CD1 3.67Å; Y263-L375 HydrophobicContact CE1-CG 4.39Å; L375-E377 PolarHBondContact O-N 3.39Å; L375-V378 PolarHBondContact O-N 3.44Å; L375-V378 VanDerWaalsContact O-N 3.15Å; L375-V379 HydrophobicContact CD1-CG2 4.43Å; L375-V379 WeakPolarHBondContact O-CG2 3.49Å; L375-V379 PolarHBondContact O-N 2.94Å; L375-L384 HydrophobicContact CD2-CD1 4.02Å; L375-L384 HydrophobicContact CG-CD1 3.9Å; L375-L388 HydrophobicContact CD2-CB 4.11Å; L375-L388 HydrophobicContact CD2-CD1 3.51Å; L375-L388 HydrophobicContact CD2-CG 4.43Å |
| 376 | P | 75.4 | Confident | 77.3 | Confident | 36 Ų | 36 | 47 Ų | 47 | 23% | 0.234 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -55.1 | -32.6 | 172.8 | -25.9 | 32.1 | 0 | 0 | 0 | 115.2 | T373 G380 L384 | T373-P376 WeakPolarHBondContact O-CD 3.32Å; P376-G380 CarbonylContact O-C 3.59Å; P376-G380 VanDerWaalsContact O-CA 3.23Å; P376-G380 WeakPolarHBondContact O-CA 3.44Å; P376-G380 PolarHBondContact O-N 3.46Å; P376-L384 HydrophobicContact CB-CD1 4.36Å; P376-L384 HydrophobicContact CB-CD2 4.4Å; P376-L384 HydrophobicContact CG-CD1 3.89Å; P376-L384 HydrophobicContact CG-CD2 3.91Å |
| 377 | E | 77.3 | Confident | 76.5 | Confident | 104 Ų | 104 | 46.8 Ų | 46.8 | 49% | 0.486 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -71.3 | -31.9 | 178.4 | -61.2 | -167.6 | 150.5 | 0 | 0 | 112.4 | Q326 V374 L375 | Q326-E377 WeakPolarHBondContact CB-OE2 3.34Å; Q326-E377 WeakPolarHBondContact CG-OE1 3.29Å; Q326-E377 PolarHBondContact NE2-OE1 2.96Å; Q326-E377 PolarHBondContact OE1-OE1 3.49Å; V374-E377 WeakPolarHBondContact O-CB 3.43Å; V374-E377 PolarHBondContact O-N 2.89Å; L375-E377 PolarHBondContact O-N 3.39Å |
| 378 | V | 78.1 | Confident | 75.8 | Confident | 14 Ų | 14 | 50.2 Ų | 50.2 | 9% | 0.085 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -75.2 | -41.1 | -177.9 | 177.9 | 0 | 0 | 0 | 0 | 112 | R259 Y263 V374 L375 L437 | R259-V378 HydrophobicContact CB-CG1 4.12Å; Y263-V378 HydrophobicContact CD2-CG2 4.1Å; Y263-V378 HydrophobicContact CG-CG2 4.37Å; V374-V378 HydrophobicContact CG1-CG2 4.21Å; V374-V378 PolarHBondContact O-N 3.25Å; L375-V378 PolarHBondContact O-N 3.44Å; L375-V378 VanDerWaalsContact O-N 3.15Å; V378-L437 HydrophobicContact CG2-CD2 3.9Å |
| 379 | V | 76.5 | Confident | 75.3 | Confident | 15 Ų | 15 | 50.2 Ų | 50.2 | 9% | 0.091 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -109.3 | -13.6 | -172 | -64.1 | 0 | 0 | 0 | 0 | 114.8 | L254 F260 L375 L384 A387 | L254-V379 HydrophobicContact CD2-CB 4.42Å; L254-V379 HydrophobicContact CD2-CG1 4.05Å; F260-V379 HydrophobicContact CB-CG1 4.25Å; F260-V379 HydrophobicContact CD2-CG1 3.49Å; F260-V379 VanDerWaalsContact CD2-CG1 3.49Å; F260-V379 HydrophobicContact CE2-CG1 4.25Å; F260-V379 HydrophobicContact CG-CG1 4.21Å; L375-V379 HydrophobicContact CD1-CG2 4.43Å; L375-V379 WeakPolarHBondContact O-CG2 3.49Å; L375-V379 PolarHBondContact O-N 2.94Å; V379-L384 HydrophobicContact CG2-CD1 4.34Å; V379-A387 HydrophobicContact CB-CB 3.99Å; V379-A387 HydrophobicContact CG1-CB 3.83Å; V379-A387 HydrophobicContact CG2-CB 3.63Å |
| 380 | G | 69.3 | Low | 75.2 | Confident | 33 Ų | 33 | 51 Ų | 51 | 34% | 0.34 | 30% | 0.295 | S | S | . | . | trans | 80.9 | 152.3 | -170.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | P376 E382 R383 L384 | P376-G380 CarbonylContact O-C 3.59Å; P376-G380 VanDerWaalsContact O-CA 3.23Å; P376-G380 WeakPolarHBondContact O-CA 3.44Å; P376-G380 PolarHBondContact O-N 3.46Å; G380-E382 VanDerWaalsContact C-N 3.3Å; G380-E382 PolarHBondContact O-N 3.47Å; G380-R383 PolarHBondContact O-N 2.86Å; G380-L384 PolarHBondContact O-N 2.94Å | ||
| 381 | V | 69.9 | Low | 75.2 | Confident | 116 Ų | 116 | 50.8 Ų | 50.8 | 70% | 0.703 | 29% | 0.293 | S | S | * | . | G | 310 helix | trans | -65.1 | -32.9 | -173.4 | -176.3 | 0 | 0 | 0 | 0 | 112.3 | R383 L384 | V381-R383 VanDerWaalsContact C-N 3.34Å; V381-R383 PolarHBondContact O-N 3.24Å; V381-L384 WeakPolarHBondContact O-CB 3.27Å; V381-L384 PolarHBondContact O-N 3.13Å |
| 382 | E | 65.6 | Low | 75.2 | Confident | 199 Ų | 199 | 51.8 Ų | 51.8 | 93% | 0.93 | 30% | 0.299 | S | S | * | . | G | 310 helix | trans | -67.8 | -31.7 | -176.6 | -61.4 | -174 | 169.8 | 0 | 0 | 113.2 | G380 | G380-E382 VanDerWaalsContact C-N 3.3Å; G380-E382 PolarHBondContact O-N 3.47Å |
| 383 | R | 68 | Low | 75.7 | Confident | 74 Ų | 74 | 49.4 Ų | 49.4 | 28% | 0.279 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -101.7 | 3.1 | -177.6 | -61.2 | 175.2 | 73.3 | -166.8 | 2.2 | 113.1 | D251 T253 G380 V381 G385 S386 A387 | D251-R383 VanDerWaalsContact CG-NH2 3.32Å; D251-R383 IonicContact OD1-NH2 2.82Å; D251-R383 IonicContact OD2-CZ 3.6Å; D251-R383 IonicContact OD2-NE 2.84Å; D251-R383 PolarHBondContact OD2-NE 2.75Å; D251-R383 IonicContact OD2-NH2 2.77Å; D251-R383 PolarHBondContact OD2-NH2 2.98Å; T253-R383 PolarHBondContact OG1-NH2 3.5Å; G380-R383 PolarHBondContact O-N 2.86Å; V381-R383 VanDerWaalsContact C-N 3.34Å; V381-R383 PolarHBondContact O-N 3.24Å; R383-G385 VanDerWaalsContact C-N 3.34Å; R383-G385 PolarHBondContact O-N 3.23Å; R383-S386 PolarHBondContact O-N 3.19Å; R383-A387 WeakPolarHBondContact O-CB 3.44Å; R383-A387 PolarHBondContact O-N 3.12Å |
| 384 | L | 69.1 | Low | 76.3 | Confident | 48 Ų | 48 | 49.3 Ų | 49.3 | 25% | 0.251 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -58.3 | -39.9 | -171.4 | -178 | 61 | 0 | 0 | 0 | 113.4 | L375 P376 V379 G380 V381 A387 L388 | L375-L384 HydrophobicContact CD2-CD1 4.02Å; L375-L384 HydrophobicContact CG-CD1 3.9Å; P376-L384 HydrophobicContact CB-CD1 4.36Å; P376-L384 HydrophobicContact CB-CD2 4.4Å; P376-L384 HydrophobicContact CG-CD1 3.89Å; P376-L384 HydrophobicContact CG-CD2 3.91Å; V379-L384 HydrophobicContact CG2-CD1 4.34Å; G380-L384 PolarHBondContact O-N 2.94Å; V381-L384 WeakPolarHBondContact O-CB 3.27Å; V381-L384 PolarHBondContact O-N 3.13Å; L384-A387 PolarHBondContact O-N 3.02Å; L384-L388 VanDerWaalsContact O-CB 3.23Å; L384-L388 WeakPolarHBondContact O-CB 3.47Å; L384-L388 PolarHBondContact O-N 3.32Å |
| 385 | G | 65.8 | Low | 76.6 | Confident | 64 Ų | 64 | 51.6 Ų | 51.6 | 66% | 0.66 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -63 | -48 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | R383 G389 | R383-G385 VanDerWaalsContact C-N 3.34Å; R383-G385 PolarHBondContact O-N 3.23Å; G385-G389 PolarHBondContact O-N 3.45Å |
| 386 | S | 70.9 | Confident | 77.1 | Confident | 28 Ų | 28 | 51.7 Ų | 51.7 | 20% | 0.196 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68.6 | -41.2 | 176.8 | -178.9 | 0 | 0 | 0 | 0 | 111.2 | D251 L254 R383 G389 F390 | D251-S386 PolarHBondContact N-OG 2.98Å; L254-S386 VanDerWaalsContact CD1-OG 3.23Å; L254-S386 WeakPolarHBondContact CD1-OG 3.4Å; R383-S386 PolarHBondContact O-N 3.19Å; S386-G389 PolarHBondContact O-N 3.39Å; S386-F390 WeakPolarHBondContact O-CD2 3.42Å; S386-F390 PolarHBondContact O-N 2.95Å; S386-F390 VanDerWaalsContact O-N 3.16Å |
| 387 | A | 75.9 | Confident | 77.9 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.3 | -44.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L254 F260 V379 R383 L384 G389 F390 F391 | L254-A387 HydrophobicContact CD1-CB 4.19Å; L254-A387 HydrophobicContact CD2-CB 3.82Å; F260-A387 HydrophobicContact CD2-CB 4.44Å; F260-A387 HydrophobicContact CE2-CB 3.92Å; F260-A387 WeakPolarHBondContact CE2-O 3.5Å; F260-A387 WeakPolarHBondContact CZ-O 3.49Å; V379-A387 HydrophobicContact CB-CB 3.99Å; V379-A387 HydrophobicContact CG1-CB 3.83Å; V379-A387 HydrophobicContact CG2-CB 3.63Å; R383-A387 WeakPolarHBondContact O-CB 3.44Å; R383-A387 PolarHBondContact O-N 3.12Å; L384-A387 PolarHBondContact O-N 3.02Å; A387-G389 VanDerWaalsContact C-N 3.31Å; A387-G389 PolarHBondContact O-N 2.96Å; A387-F390 PolarHBondContact O-N 3.27Å; A387-F391 WeakPolarHBondContact O-CB 3.4Å; A387-F391 PolarHBondContact O-N 3.34Å |
| 388 | L | 76.7 | Confident | 78.6 | Confident | 73 Ų | 73 | 47.6 Ų | 47.6 | 38% | 0.382 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.9 | -41.1 | 178 | -177.1 | 67.6 | 0 | 0 | 0 | 111.3 | L375 L384 F391 M392 | L375-L388 HydrophobicContact CD2-CB 4.11Å; L375-L388 HydrophobicContact CD2-CD1 3.51Å; L375-L388 HydrophobicContact CD2-CG 4.43Å; L384-L388 VanDerWaalsContact O-CB 3.23Å; L384-L388 WeakPolarHBondContact O-CB 3.47Å; L384-L388 PolarHBondContact O-N 3.32Å; L388-F391 PolarHBondContact O-N 2.65Å; L388-M392 HydrophobicContact CD1-CE 3.78Å; L388-M392 HydrophobicContact CD1-CG 4.38Å; L388-M392 WeakPolarHBondContact O-CB 3.38Å; L388-M392 WeakPolarHBondContact O-CG 3.35Å; L388-M392 PolarHBondContact O-N 3.14Å |
| 389 | G | 76.6 | Confident | 79 | Confident | 34 Ų | 34 | 47 Ų | 47 | 35% | 0.351 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.9 | -52.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | G385 S386 A387 F391 M392 L393 | G385-G389 PolarHBondContact O-N 3.45Å; S386-G389 PolarHBondContact O-N 3.39Å; A387-G389 VanDerWaalsContact C-N 3.31Å; A387-G389 PolarHBondContact O-N 2.96Å; G389-F391 PolarHBondContact O-N 3.43Å; G389-M392 PolarHBondContact O-N 3.42Å; G389-L393 WeakPolarHBondContact O-CG 3.25Å; G389-L393 PolarHBondContact O-N 3.23Å; G389-L393 VanDerWaalsContact O-N 3.07Å |
| 390 | F | 83.5 | Confident | 79.8 | Confident | 36 Ų | 36 | 48.9 Ų | 48.9 | 16% | 0.158 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.8 | -41.8 | 176.5 | -81.5 | -65.5 | 0 | 0 | 0 | 112.7 | V250 Y252 L254 I255 F260 S386 A387 M392 L393 I394 | V250-F390 HydrophobicContact CG1-CE1 4.34Å; V250-F390 HydrophobicContact CG1-CE2 3.65Å; V250-F390 HydrophobicContact CG1-CZ 3.28Å; Y252-F390 HydrophobicContact CD1-CZ 4.11Å; Y252-F390 HydrophobicContact CE1-CZ 4.27Å; L254-F390 HydrophobicContact CB-CD2 4.45Å; L254-F390 HydrophobicContact CD1-CD2 4.12Å; L254-F390 HydrophobicContact CD1-CE2 4.5Å; I255-F390 HydrophobicContact CG2-CD1 4.13Å; I255-F390 HydrophobicContact CG2-CE1 4.21Å; I255-F390 HydrophobicContact CG2-CG 4.48Å; F260-F390 HydrophobicContact CE1-CB 4Å; F260-F390 HydrophobicContact CZ-CB 3.77Å; S386-F390 WeakPolarHBondContact O-CD2 3.42Å; S386-F390 PolarHBondContact O-N 2.95Å; S386-F390 VanDerWaalsContact O-N 3.16Å; A387-F390 PolarHBondContact O-N 3.27Å; F390-M392 PolarHBondContact O-N 2.86Å; F390-L393 PolarHBondContact O-N 3.26Å; F390-I394 WeakPolarHBondContact O-CG1 3.14Å; F390-I394 PolarHBondContact O-N 3.27Å |
| 391 | F | 85.4 | Confident | 81 | Confident | 1 Ų | 1 | 51.4 Ų | 51.4 | 0% | 0.004 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.8 | -46.7 | 178 | 173.1 | -101.2 | 0 | 0 | 0 | 111.1 | F260 Y263 H371 A387 L388 G389 L393 I394 R395 | F260-F391 HydrophobicContact CE2-CB 4.09Å; F260-F391 HydrophobicContact CZ-CB 4.09Å; Y263-F391 AromaticContact CD1-CD2 3.73Å; Y263-F391 HydrophobicContact CD1-CD2 3.73Å; Y263-F391 AromaticContact CD1-CE2 3.58Å; Y263-F391 HydrophobicContact CD1-CE2 3.58Å; Y263-F391 HydrophobicContact CD1-CZ 4.43Å; Y263-F391 AromaticContact CE1-CD2 3.81Å; Y263-F391 HydrophobicContact CE1-CD2 3.81Å; Y263-F391 AromaticContact CE1-CE2 3.44Å; Y263-F391 HydrophobicContact CE1-CE2 3.44Å; Y263-F391 VanDerWaalsContact CE1-CE2 3.44Å; Y263-F391 HydrophobicContact CE1-CG 4.48Å; Y263-F391 AromaticContact CE1-CZ 3.85Å; Y263-F391 HydrophobicContact CE1-CZ 3.85Å; H371-F391 AromaticContact CE1-CE1 3.9Å; H371-F391 AromaticContact CE1-CZ 3.56Å; H371-F391 AromaticContact NE2-CE1 3.71Å; H371-F391 AromaticContact NE2-CZ 3.8Å; A387-F391 WeakPolarHBondContact O-CB 3.4Å; A387-F391 PolarHBondContact O-N 3.34Å; L388-F391 PolarHBondContact O-N 2.65Å; G389-F391 PolarHBondContact O-N 3.43Å; F391-L393 PolarHBondContact O-N 3.2Å; F391-I394 PolarHBondContact O-N 3.36Å; F391-R395 WeakPolarHBondContact O-CB 3.14Å; F391-R395 PolarHBondContact O-N 3.33Å |
| 392 | M | 83.8 | Confident | 82.2 | Confident | 47 Ų | 47 | 46 Ų | 46 | 23% | 0.232 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.8 | -39.6 | 178.4 | -71.6 | -64.4 | 178.4 | 0 | 0 | 112.3 | L388 G389 F390 S396 | L388-M392 HydrophobicContact CD1-CE 3.78Å; L388-M392 HydrophobicContact CD1-CG 4.38Å; L388-M392 WeakPolarHBondContact O-CB 3.38Å; L388-M392 WeakPolarHBondContact O-CG 3.35Å; L388-M392 PolarHBondContact O-N 3.14Å; G389-M392 PolarHBondContact O-N 3.42Å; F390-M392 PolarHBondContact O-N 2.86Å; M392-S396 WeakPolarHBondContact O-CB 3.39Å; M392-S396 PolarHBondContact O-N 3.24Å |
| 393 | L | 85.9 | Confident | 83.6 | Confident | 66 Ų | 66 | 36.6 Ų | 36.6 | 35% | 0.346 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -63.4 | -48.7 | 175.2 | -71.4 | 174.1 | 0 | 0 | 0 | 111.7 | G389 F390 F391 S396 | G389-L393 WeakPolarHBondContact O-CG 3.25Å; G389-L393 PolarHBondContact O-N 3.23Å; G389-L393 VanDerWaalsContact O-N 3.07Å; F390-L393 PolarHBondContact O-N 3.26Å; F391-L393 PolarHBondContact O-N 3.2Å; L393-S396 PolarHBondContact O-N 3.44Å; L393-S396 PolarHBondContact O-OG 2.91Å |
| 394 | I | 89.9 | Confident | 84.9 | Confident | 39 Ų | 39 | 33.4 Ų | 33.4 | 20% | 0.2 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63 | -50 | 178.7 | -66.3 | 167.1 | 0 | 0 | 0 | 109.9 | F260 M261 M265 V268 F390 F391 S396 S397 | F260-I394 HydrophobicContact CE1-CD1 4.48Å; M261-I394 HydrophobicContact SD-CD1 4.3Å; M265-I394 HydrophobicContact CE-CG2 3.67Å; V268-I394 HydrophobicContact CG2-CG2 3.58Å; V268-I394 WeakPolarHBondContact CG2-O 3.21Å; F390-I394 WeakPolarHBondContact O-CG1 3.14Å; F390-I394 PolarHBondContact O-N 3.27Å; F391-I394 PolarHBondContact O-N 3.36Å; I394-S396 PolarHBondContact O-N 3.28Å; I394-S397 WeakPolarHBondContact O-CB 3.42Å; I394-S397 PolarHBondContact O-N 2.87Å; I394-S397 PolarHBondContact O-OG 2.98Å |
| 395 | R | 87.6 | Confident | 86.2 | Confident | 48 Ų | 48 | 33.8 Ų | 33.8 | 18% | 0.181 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -54.8 | -35.6 | 177.2 | 174.6 | 177 | 169.6 | 171 | -3.3 | 113 | A271 H371 F391 S397 G398 G399 | A271-R395 HydrophobicContact CB-CG 3.82Å; H371-R395 PolarHBondContact NE2-NH1 2.96Å; H371-R395 VanDerWaalsContact NE2-NH1 3.19Å; F391-R395 WeakPolarHBondContact O-CB 3.14Å; F391-R395 PolarHBondContact O-N 3.33Å; R395-S397 PolarHBondContact O-N 3.3Å; R395-G398 PolarHBondContact O-N 2.85Å; R395-G398 VanDerWaalsContact O-N 3.15Å; R395-G399 PolarHBondContact O-N 3.17Å |
| 396 | S | 88.5 | Confident | 87.6 | Confident | 11 Ų | 11 | 30.8 Ų | 30.8 | 8% | 0.077 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61 | -25.5 | -177.7 | 76.3 | 0 | 0 | 0 | 0 | 113.7 | M392 L393 I394 G398 G399 L400 | M392-S396 WeakPolarHBondContact O-CB 3.39Å; M392-S396 PolarHBondContact O-N 3.24Å; L393-S396 PolarHBondContact O-N 3.44Å; L393-S396 PolarHBondContact O-OG 2.91Å; I394-S396 PolarHBondContact O-N 3.28Å; S396-G398 PolarHBondContact O-N 3.4Å; S396-G399 CarbonylContact O-C 3.58Å; S396-G399 WeakPolarHBondContact O-CA 3.43Å; S396-G399 PolarHBondContact O-N 3.49Å; S396-G399 VanDerWaalsContact O-N 3.09Å; S396-L400 PolarHBondContact O-N 2.96Å |
| 397 | S | 92.5 | Very high | 88.8 | Confident | 52 Ų | 52 | 29.5 Ų | 29.5 | 36% | 0.364 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -60.7 | -43.5 | 175.1 | 62.8 | 0 | 0 | 0 | 0 | 112.3 | I394 R395 G399 L400 L401 | I394-S397 WeakPolarHBondContact O-CB 3.42Å; I394-S397 PolarHBondContact O-N 2.87Å; I394-S397 PolarHBondContact O-OG 2.98Å; R395-S397 PolarHBondContact O-N 3.3Å; S397-G399 VanDerWaalsContact C-N 3.29Å; S397-G399 PolarHBondContact O-N 2.92Å; S397-L400 PolarHBondContact O-N 3.18Å; S397-L401 PolarHBondContact O-N 2.82Å; S397-L401 VanDerWaalsContact O-N 3.11Å |
| 398 | G | 90.1 | Very high | 89.8 | Confident | 2 Ų | 2 | 34.9 Ų | 34.9 | 2% | 0.021 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.1 | -33.6 | 173 | 0 | 0 | 0 | 0 | 0 | 112.2 | L272 R395 S396 G402 | L272-G398 WeakPolarHBondContact CA-O 3.5Å; R395-G398 PolarHBondContact O-N 2.85Å; R395-G398 VanDerWaalsContact O-N 3.15Å; S396-G398 PolarHBondContact O-N 3.4Å; G398-G402 WeakPolarHBondContact O-CA 3.3Å; G398-G402 PolarHBondContact O-N 3.11Å |
| 399 | G | 87.9 | Confident | 90.7 | Very high | 2 Ų | 2 | 35.2 Ų | 35.2 | 2% | 0.021 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.6 | -39.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | S65 F275 R395 S396 S397 P403 | S65-G399 PolarHBondContact OG-O 3.41Å; F275-G399 VanDerWaalsContact CE2-CA 3.43Å; R395-G399 PolarHBondContact O-N 3.17Å; S396-G399 CarbonylContact O-C 3.58Å; S396-G399 WeakPolarHBondContact O-CA 3.43Å; S396-G399 PolarHBondContact O-N 3.49Å; S396-G399 VanDerWaalsContact O-N 3.09Å; S397-G399 VanDerWaalsContact C-N 3.29Å; S397-G399 PolarHBondContact O-N 2.92Å; G399-P403 WeakPolarHBondContact O-CD 3.38Å |
| 400 | L | 93.4 | Very high | 91.6 | Very high | 54 Ų | 54 | 33.8 Ų | 33.8 | 28% | 0.283 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -68 | -46.7 | 177.1 | -177.4 | 60.8 | 0 | 0 | 0 | 111 | W62 S65 I66 A69 S396 S397 P404 | W62-L400 HydrophobicContact CE3-CD1 4.45Å; W62-L400 HydrophobicContact CZ3-CD1 3.94Å; W62-L400 HydrophobicContact CZ3-CG 4.22Å; S65-L400 WeakPolarHBondContact CB-O 3.41Å; S65-L400 PolarHBondContact OG-O 2.8Å; I66-L400 HydrophobicContact CG1-CD1 4.45Å; A69-L400 HydrophobicContact CB-CB 3.83Å; A69-L400 HydrophobicContact CB-CD1 3.66Å; A69-L400 HydrophobicContact CB-CD2 4.49Å; A69-L400 HydrophobicContact CB-CG 4.19Å; S396-L400 PolarHBondContact O-N 2.96Å; S397-L400 PolarHBondContact O-N 3.18Å; L400-P404 WeakPolarHBondContact O-CD 3.15Å |
| 401 | L | 94.4 | Very high | 92.2 | Very high | 86 Ų | 86 | 34.3 Ų | 34.3 | 45% | 0.45 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -86.6 | -24.6 | -172.3 | -63.8 | 177.5 | 0 | 0 | 0 | 114.1 | W62 S397 P404 V405 | W62-L401 HydrophobicContact CH2-CD2 4.39Å; S397-L401 PolarHBondContact O-N 2.82Å; S397-L401 VanDerWaalsContact O-N 3.11Å; L401-P404 WeakPolarHBondContact O-CD 3.05Å; L401-V405 HydrophobicContact CB-CG2 4.38Å; L401-V405 WeakPolarHBondContact O-CB 3.28Å; L401-V405 WeakPolarHBondContact O-CG2 3.05Å; L401-V405 PolarHBondContact O-N 3.44Å |
| 402 | G | 93.9 | Very high | 92.7 | Very high | 2 Ų | 2 | 41.4 Ų | 41.4 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -56.5 | -59.3 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | G398 V405 A406 M422 | G398-G402 WeakPolarHBondContact O-CA 3.3Å; G398-G402 PolarHBondContact O-N 3.11Å; G402-V405 PolarHBondContact O-N 3.37Å; G402-A406 WeakPolarHBondContact O-CB 3.47Å; G402-A406 PolarHBondContact O-N 2.93Å; G402-M422 WeakPolarHBondContact O-CE 3.33Å |
| 403 | P | 94.8 | Very high | 93.3 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.006 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.2 | -45.5 | 179.9 | -20.7 | 29.5 | 0 | 0 | 0 | 114.7 | S61 S65 F275 L279 G399 A406 G407 | S61-P403 VanDerWaalsContact OG-C 3.23Å; S61-P403 PolarHBondContact OG-O 3.47Å; S65-P403 WeakPolarHBondContact OG-CB 3.4Å; S65-P403 WeakPolarHBondContact OG-CD 3.42Å; S65-P403 WeakPolarHBondContact OG-CG 3.11Å; F275-P403 HydrophobicContact CB-CG 3.73Å; F275-P403 HydrophobicContact CD1-CG 4.31Å; F275-P403 HydrophobicContact CD2-CG 4.1Å; F275-P403 HydrophobicContact CG-CG 3.76Å; L279-P403 HydrophobicContact CD2-CB 3.68Å; L279-P403 HydrophobicContact CD2-CG 4.42Å; G399-P403 WeakPolarHBondContact O-CD 3.38Å; P403-A406 PolarHBondContact O-N 3.3Å; P403-G407 PolarHBondContact O-N 3.43Å |
| 404 | P | 96.1 | Very high | 93.6 | Very high | 8 Ų | 8 | 49.9 Ų | 49.9 | 5% | 0.052 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -67 | -36.8 | 178.5 | -26.2 | 36.1 | 0 | 0 | 0 | 113.8 | S61 W62 S65 L400 L401 G407 F408 | S61-P404 WeakPolarHBondContact OG-CA 3.34Å; W62-P404 HydrophobicContact CD2-CB 4.01Å; W62-P404 HydrophobicContact CD2-CG 3.45Å; W62-P404 VanDerWaalsContact CD2-CG 3.45Å; W62-P404 VanDerWaalsContact CE2-CB 3.49Å; W62-P404 VanDerWaalsContact CE2-CG 3.49Å; W62-P404 HydrophobicContact CE3-CG 3.76Å; W62-P404 HydrophobicContact CG-CB 4.4Å; W62-P404 HydrophobicContact CG-CG 3.9Å; W62-P404 HydrophobicContact CH2-CB 4.34Å; W62-P404 HydrophobicContact CH2-CG 4.1Å; W62-P404 HydrophobicContact CZ2-CB 3.69Å; W62-P404 HydrophobicContact CZ2-CG 3.83Å; W62-P404 HydrophobicContact CZ3-CG 4.07Å; S65-P404 WeakPolarHBondContact OG-CD 3.49Å; L400-P404 WeakPolarHBondContact O-CD 3.15Å; L401-P404 WeakPolarHBondContact O-CD 3.05Å; P404-G407 PolarHBondContact O-N 2.88Å; P404-F408 WeakPolarHBondContact O-CB 3.36Å; P404-F408 PolarHBondContact O-N 2.98Å |
| 405 | V | 96.1 | Very high | 93.8 | Very high | 56 Ų | 56 | 51.4 Ų | 51.4 | 34% | 0.339 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -68.3 | -42.5 | 175.9 | 177.7 | 0 | 0 | 0 | 0 | 110 | L401 G402 F408 F409 M422 | L401-V405 HydrophobicContact CB-CG2 4.38Å; L401-V405 WeakPolarHBondContact O-CB 3.28Å; L401-V405 WeakPolarHBondContact O-CG2 3.05Å; L401-V405 PolarHBondContact O-N 3.44Å; G402-V405 PolarHBondContact O-N 3.37Å; V405-F408 WeakPolarHBondContact O-CB 3.47Å; V405-F408 PolarHBondContact O-N 2.87Å; V405-F409 HydrophobicContact CG1-CD2 4.15Å; V405-F409 HydrophobicContact CG1-CE2 3.83Å; V405-F409 WeakPolarHBondContact O-CD2 3.47Å; V405-F409 PolarHBondContact O-N 3.39Å; V405-M422 HydrophobicContact CB-SD 4.07Å; V405-M422 HydrophobicContact CG1-SD 3.62Å |
| 406 | A | 95.6 | Very high | 94.1 | Very high | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.008 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.9 | -47 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | F280 G402 P403 F408 F409 I410 M422 | F280-A406 HydrophobicContact CD2-CB 4.4Å; F280-A406 HydrophobicContact CE2-CB 3.51Å; F280-A406 HydrophobicContact CZ-CB 4.15Å; G402-A406 WeakPolarHBondContact O-CB 3.47Å; G402-A406 PolarHBondContact O-N 2.93Å; P403-A406 PolarHBondContact O-N 3.3Å; A406-F408 VanDerWaalsContact C-N 3.28Å; A406-F408 PolarHBondContact O-N 2.71Å; A406-F409 PolarHBondContact O-N 3.35Å; A406-F409 VanDerWaalsContact O-N 3.13Å; A406-I410 VanDerWaalsContact O-CG1 3.26Å; A406-I410 WeakPolarHBondContact O-CG1 3.36Å; A406-I410 PolarHBondContact O-N 3.28Å; A406-M422 WeakPolarHBondContact CA-SD 3.3Å; A406-M422 HydrophobicContact CB-CE 3.75Å; A406-M422 HydrophobicContact CB-SD 3.84Å; A406-M422 PolarHBondContact N-SD 3.39Å |
| 407 | G | 95.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -54.7 | -44.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | P403 P404 F409 I410 D411 | P403-G407 PolarHBondContact O-N 3.43Å; P404-G407 PolarHBondContact O-N 2.88Å; G407-F409 VanDerWaalsContact C-N 3.33Å; G407-F409 PolarHBondContact O-N 3.31Å; G407-I410 CarbonylContact O-C 3.58Å; G407-I410 WeakPolarHBondContact O-CA 3.35Å; G407-I410 WeakPolarHBondContact O-CB 3.37Å; G407-I410 PolarHBondContact O-N 2.88Å; G407-I410 VanDerWaalsContact O-N 3.07Å; G407-D411 WeakPolarHBondContact O-CB 3.48Å; G407-D411 PolarHBondContact O-N 3.23Å |
| 408 | F | 96.5 | Very high | 94.5 | Very high | 114 Ų | 114 | 50.2 Ų | 50.2 | 50% | 0.5 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -60.1 | -40.9 | 177.8 | 173.4 | -95.4 | 0 | 0 | 0 | 112.6 | A58 P404 V405 A406 D411 K412 | A58-F408 HydrophobicContact CB-CB 4.43Å; P404-F408 WeakPolarHBondContact O-CB 3.36Å; P404-F408 PolarHBondContact O-N 2.98Å; V405-F408 WeakPolarHBondContact O-CB 3.47Å; V405-F408 PolarHBondContact O-N 2.87Å; A406-F408 VanDerWaalsContact C-N 3.28Å; A406-F408 PolarHBondContact O-N 2.71Å; F408-D411 PolarHBondContact O-N 2.94Å; F408-K412 HydrophobicContact CE1-CD 4.49Å; F408-K412 HydrophobicContact CZ-CD 4.45Å; F408-K412 WeakPolarHBondContact O-CB 3.26Å; F408-K412 PolarHBondContact O-N 2.97Å |
| 409 | F | 96.1 | Very high | 94.7 | Very high | 79 Ų | 79 | 50.1 Ų | 50.1 | 35% | 0.346 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -68.6 | -37.3 | 174.2 | -76.8 | -70.8 | 0 | 0 | 0 | 112.5 | V405 A406 G407 D411 M413 M418 M422 | V405-F409 HydrophobicContact CG1-CD2 4.15Å; V405-F409 HydrophobicContact CG1-CE2 3.83Å; V405-F409 WeakPolarHBondContact O-CD2 3.47Å; V405-F409 PolarHBondContact O-N 3.39Å; A406-F409 PolarHBondContact O-N 3.35Å; A406-F409 VanDerWaalsContact O-N 3.13Å; G407-F409 VanDerWaalsContact C-N 3.33Å; G407-F409 PolarHBondContact O-N 3.31Å; F409-D411 VanDerWaalsContact C-N 3.35Å; F409-M413 WeakPolarHBondContact O-CB 3.5Å; F409-M413 WeakPolarHBondContact O-CG 3.43Å; F409-M413 PolarHBondContact O-N 3.49Å; F409-M413 VanDerWaalsContact O-N 3.15Å; F409-M418 HydrophobicContact CB-CB 4.13Å; F409-M422 HydrophobicContact CD2-CG 4.26Å; F409-M422 HydrophobicContact CD2-SD 4.04Å; F409-M422 HydrophobicContact CE2-CG 4.41Å; F409-M422 HydrophobicContact CE2-SD 4.34Å |
| 410 | I | 96.3 | Very high | 95.2 | Very high | 5 Ų | 5 | 50 Ų | 50 | 3% | 0.026 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.7 | -45.9 | 174.7 | -66.8 | 166.1 | 0 | 0 | 0 | 110.1 | A57 F280 A406 G407 E414 N415 Y416 M418 | A57-I410 HydrophobicContact CB-CB 4.35Å; A57-I410 HydrophobicContact CB-CG2 4.03Å; F280-I410 HydrophobicContact CD1-CD1 3.98Å; F280-I410 HydrophobicContact CD2-CD1 3.93Å; F280-I410 HydrophobicContact CE1-CD1 4.05Å; F280-I410 HydrophobicContact CE2-CD1 4.03Å; F280-I410 HydrophobicContact CG-CD1 3.92Å; F280-I410 HydrophobicContact CZ-CD1 4.07Å; A406-I410 VanDerWaalsContact O-CG1 3.26Å; A406-I410 WeakPolarHBondContact O-CG1 3.36Å; A406-I410 PolarHBondContact O-N 3.28Å; G407-I410 CarbonylContact O-C 3.58Å; G407-I410 WeakPolarHBondContact O-CA 3.35Å; G407-I410 WeakPolarHBondContact O-CB 3.37Å; G407-I410 PolarHBondContact O-N 2.88Å; G407-I410 VanDerWaalsContact O-N 3.07Å; I410-E414 WeakPolarHBondContact O-CA 3.48Å; I410-E414 PolarHBondContact O-N 3.29Å; I410-N415 PolarHBondContact O-N 3.41Å; I410-N415 VanDerWaalsContact O-N 3.16Å; I410-Y416 HydrophobicContact CD1-CD1 3.88Å; I410-Y416 HydrophobicContact CD1-CE1 4.43Å; I410-Y416 HydrophobicContact CG2-CD1 3.77Å; I410-Y416 HydrophobicContact CG2-CD2 4.46Å; I410-Y416 HydrophobicContact CG2-CE1 3.92Å; I410-Y416 HydrophobicContact CG2-CG 4.03Å; I410-M418 HydrophobicContact CG1-CB 4.49Å |
| 411 | D | 96.3 | Very high | 95.3 | Very high | 47 Ų | 47 | 50.1 Ų | 50.1 | 25% | 0.251 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -66 | -43.3 | -178.6 | -63.8 | -42 | 0 | 0 | 0 | 111.7 | T56 A57 A58 G407 F408 F409 M413 | T56-D411 VanDerWaalsContact CB-OD2 3.25Å; T56-D411 WeakPolarHBondContact CB-OD2 2.98Å; A57-D411 VanDerWaalsContact CB-OD1 3.28Å; A57-D411 WeakPolarHBondContact CB-OD1 3.42Å; A57-D411 PolarHBondContact N-OD1 3.15Å; A57-D411 PolarHBondContact N-OD2 3.07Å; A58-D411 WeakPolarHBondContact CB-OD2 3.17Å; A58-D411 PolarHBondContact N-OD2 3.46Å; G407-D411 WeakPolarHBondContact O-CB 3.48Å; G407-D411 PolarHBondContact O-N 3.23Å; F408-D411 PolarHBondContact O-N 2.94Å; F409-D411 VanDerWaalsContact C-N 3.35Å; D411-M413 PolarHBondContact O-N 3.34Å |
| 412 | K | 96 | Very high | 95.3 | Very high | 149 Ų | 149 | 47.3 Ų | 47.3 | 65% | 0.648 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -70.3 | -31.4 | -178.2 | -174.2 | 170.9 | -178.4 | 177.9 | 0 | 113.5 | F408 | F408-K412 HydrophobicContact CE1-CD 4.49Å; F408-K412 HydrophobicContact CZ-CD 4.45Å; F408-K412 WeakPolarHBondContact O-CB 3.26Å; F408-K412 PolarHBondContact O-N 2.97Å |
| 413 | M | 95.4 | Very high | 95.4 | Very high | 106 Ų | 106 | 47.3 Ų | 47.3 | 52% | 0.522 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -104.7 | -0.3 | -177 | -59.4 | -66.5 | -167.5 | 0 | 0 | 112.7 | F409 D411 N415 M418 | F409-M413 WeakPolarHBondContact O-CB 3.5Å; F409-M413 WeakPolarHBondContact O-CG 3.43Å; F409-M413 PolarHBondContact O-N 3.49Å; F409-M413 VanDerWaalsContact O-N 3.15Å; D411-M413 PolarHBondContact O-N 3.34Å; M413-N415 PolarHBondContact O-N 3.29Å; M413-N415 VanDerWaalsContact O-N 3.12Å; M413-M418 HydrophobicContact CB-CG 3.72Å; M413-M418 HydrophobicContact CG-CE 4.27Å; M413-M418 HydrophobicContact CG-CG 3.93Å; M413-M418 HydrophobicContact CG-SD 4.39Å |
| 414 | E | 92.1 | Very high | 95.5 | Very high | 185 Ų | 185 | 47.3 Ų | 47.3 | 86% | 0.864 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.9 | 33.8 | -175.6 | -60.4 | 179.7 | 177.4 | 0 | 0 | 113.5 | I410 | I410-E414 WeakPolarHBondContact O-CA 3.48Å; I410-E414 PolarHBondContact O-N 3.29Å |
| 415 | N | 93.8 | Very high | 95.6 | Very high | 72 Ų | 72 | 50.9 Ų | 50.9 | 39% | 0.385 | 25% | 0.249 | S | C | . | . | trans | -143.2 | 114.8 | -174 | -172.6 | -15.5 | 0 | 0 | 0 | 112 | I410 M413 G417 M418 | I410-N415 PolarHBondContact O-N 3.41Å; I410-N415 VanDerWaalsContact O-N 3.16Å; M413-N415 PolarHBondContact O-N 3.29Å; M413-N415 VanDerWaalsContact O-N 3.12Å; N415-G417 PolarHBondContact O-N 3.31Å; N415-G417 WeakPolarHBondContact OD1-CA 3.32Å; N415-G417 PolarHBondContact OD1-N 2.84Å; N415-M418 HydrophobicContact CB-CG 4.36Å; N415-M418 WeakPolarHBondContact O-CB 3.4Å; N415-M418 WeakPolarHBondContact O-CG 3.44Å; N415-M418 PolarHBondContact O-N 3.47Å | ||
| 416 | Y | 93.9 | Very high | 95.6 | Very high | 35 Ų | 35 | 48.5 Ų | 48.5 | 14% | 0.137 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -26.1 | 176.6 | -80.1 | -77.5 | 0 | 0 | 0 | 113.9 | F46 Q50 A57 F280 P283 I410 M418 G419 F420 | F46-Y416 HydrophobicContact CE1-CE1 4.3Å; Q50-Y416 PolarHBondContact NE2-OH 2.95Å; Q50-Y416 PolarHBondContact OE1-OH 3.32Å; A57-Y416 HydrophobicContact CB-CE1 4.44Å; F280-Y416 HydrophobicContact CB-CD1 4.36Å; F280-Y416 HydrophobicContact CD1-CD1 4.37Å; F280-Y416 HydrophobicContact CD1-CE1 4.37Å; P283-Y416 HydrophobicContact CB-CD1 3.77Å; P283-Y416 HydrophobicContact CB-CD2 4.44Å; P283-Y416 HydrophobicContact CB-CE1 3.38Å; P283-Y416 HydrophobicContact CB-CE2 4.1Å; P283-Y416 HydrophobicContact CB-CG 4.3Å; P283-Y416 HydrophobicContact CG-CE1 4.27Å; I410-Y416 HydrophobicContact CD1-CD1 3.88Å; I410-Y416 HydrophobicContact CD1-CE1 4.43Å; I410-Y416 HydrophobicContact CG2-CD1 3.77Å; I410-Y416 HydrophobicContact CG2-CD2 4.46Å; I410-Y416 HydrophobicContact CG2-CE1 3.92Å; I410-Y416 HydrophobicContact CG2-CG 4.03Å; Y416-M418 PolarHBondContact O-N 3.03Å; Y416-M418 VanDerWaalsContact O-N 3.16Å; Y416-G419 PolarHBondContact O-N 3.28Å; Y416-G419 VanDerWaalsContact O-N 3.09Å; Y416-F420 WeakPolarHBondContact O-CD2 3.14Å |
| 417 | G | 94.7 | Very high | 95.6 | Very high | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -56.2 | -28.6 | 174 | 0 | 0 | 0 | 0 | 0 | 113.3 | N415 G419 F420 L421 | N415-G417 PolarHBondContact O-N 3.31Å; N415-G417 WeakPolarHBondContact OD1-CA 3.32Å; N415-G417 PolarHBondContact OD1-N 2.84Å; G417-G419 VanDerWaalsContact C-N 3.28Å; G417-G419 PolarHBondContact O-N 3.29Å; G417-F420 WeakPolarHBondContact O-CB 3.33Å; G417-F420 PolarHBondContact O-N 2.9Å; G417-F420 VanDerWaalsContact O-N 3.14Å; G417-L421 PolarHBondContact O-N 2.81Å |
| 418 | M | 95 | Very high | 95.7 | Very high | 49 Ų | 49 | 51.3 Ų | 51.3 | 24% | 0.241 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -64.4 | -31.6 | 177.7 | -65 | -56.3 | -60.6 | 0 | 0 | 113.1 | F409 I410 M413 N415 Y416 F420 L421 M422 | F409-M418 HydrophobicContact CB-CB 4.13Å; I410-M418 HydrophobicContact CG1-CB 4.49Å; M413-M418 HydrophobicContact CB-CG 3.72Å; M413-M418 HydrophobicContact CG-CE 4.27Å; M413-M418 HydrophobicContact CG-CG 3.93Å; M413-M418 HydrophobicContact CG-SD 4.39Å; N415-M418 HydrophobicContact CB-CG 4.36Å; N415-M418 WeakPolarHBondContact O-CB 3.4Å; N415-M418 WeakPolarHBondContact O-CG 3.44Å; N415-M418 PolarHBondContact O-N 3.47Å; Y416-M418 PolarHBondContact O-N 3.03Å; Y416-M418 VanDerWaalsContact O-N 3.16Å; M418-F420 VanDerWaalsContact C-N 3.3Å; M418-F420 PolarHBondContact O-N 2.97Å; M418-L421 HydrophobicContact CE-CD1 4.42Å; M418-L421 PolarHBondContact O-N 3.21Å; M418-L421 HydrophobicContact SD-CD1 3.82Å; M418-M422 WeakPolarHBondContact O-CB 3.28Å; M418-M422 PolarHBondContact O-N 3.43Å |
| 419 | G | 95.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65 | -36.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y416 G417 S423 | Y416-G419 PolarHBondContact O-N 3.28Å; Y416-G419 VanDerWaalsContact O-N 3.09Å; G417-G419 VanDerWaalsContact C-N 3.28Å; G417-G419 PolarHBondContact O-N 3.29Å; G419-S423 VanDerWaalsContact O-CB 3.31Å; G419-S423 WeakPolarHBondContact O-CB 3.31Å; G419-S423 PolarHBondContact O-N 3.43Å; G419-S423 VanDerWaalsContact O-N 3.09Å; G419-S423 PolarHBondContact O-OG 2.77Å |
| 420 | F | 96.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -72.4 | -41.3 | 175.2 | -66.1 | -86.6 | 0 | 0 | 0 | 112.1 | A276 P277 F280 L281 Y284 L341 C344 F356 Y416 G417 M418 S423 G424 | A276-F420 HydrophobicContact CB-CD1 4.25Å; A276-F420 HydrophobicContact CB-CE1 4.39Å; P277-F420 HydrophobicContact CB-CE1 4.45Å; P277-F420 HydrophobicContact CG-CE1 4.13Å; F280-F420 HydrophobicContact CB-CE2 4.09Å; F280-F420 HydrophobicContact CB-CZ 4.25Å; L281-F420 HydrophobicContact CB-CZ 4.15Å; L281-F420 HydrophobicContact CD1-CZ 4.27Å; Y284-F420 HydrophobicContact CD1-CE2 4.23Å; Y284-F420 HydrophobicContact CG-CE2 4.11Å; L341-F420 HydrophobicContact CD2-CD1 4.25Å; C344-F420 HydrophobicContact CB-CB 3.86Å; C344-F420 HydrophobicContact CB-CD1 3.85Å; C344-F420 HydrophobicContact CB-CG 3.85Å; C344-F420 VanDerWaalsContact SG-CD1 3.54Å; F356-F420 HydrophobicContact CE1-CE1 4.17Å; F356-F420 HydrophobicContact CZ-CD1 4.04Å; F356-F420 AromaticContact CZ-CE1 3.96Å; F356-F420 HydrophobicContact CZ-CE1 3.96Å; Y416-F420 WeakPolarHBondContact O-CD2 3.14Å; G417-F420 WeakPolarHBondContact O-CB 3.33Å; G417-F420 PolarHBondContact O-N 2.9Å; G417-F420 VanDerWaalsContact O-N 3.14Å; M418-F420 VanDerWaalsContact C-N 3.3Å; M418-F420 PolarHBondContact O-N 2.97Å; F420-S423 PolarHBondContact O-N 3.3Å; F420-G424 PolarHBondContact O-N 3.45Å |
| 421 | L | 96.3 | Very high | 95.7 | Very high | 57 Ų | 57 | 44.1 Ų | 44.1 | 30% | 0.298 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -60.8 | -48.6 | 174.6 | -70.1 | 175.5 | 0 | 0 | 0 | 111.7 | L342 P345 G417 M418 S423 G424 V425 | L342-L421 HydrophobicContact CD2-CD2 3.99Å; P345-L421 HydrophobicContact CG-CD1 4.28Å; P345-L421 HydrophobicContact CG-CD2 3.84Å; P345-L421 HydrophobicContact CG-CG 3.72Å; G417-L421 PolarHBondContact O-N 2.81Å; M418-L421 HydrophobicContact CE-CD1 4.42Å; M418-L421 PolarHBondContact O-N 3.21Å; M418-L421 HydrophobicContact SD-CD1 3.82Å; L421-S423 VanDerWaalsContact C-N 3.28Å; L421-S423 PolarHBondContact O-N 2.7Å; L421-G424 PolarHBondContact O-N 3.09Å; L421-V425 WeakPolarHBondContact O-CG2 3.35Å; L421-V425 PolarHBondContact O-N 3.18Å |
| 422 | M | 95.7 | Very high | 95.7 | Very high | 27 Ų | 27 | 46.3 Ų | 46.3 | 13% | 0.133 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -56.9 | -45.6 | 176.5 | -170.9 | -154.1 | 86.7 | 0 | 0 | 111 | L272 G402 V405 A406 F409 M418 V425 A426 | L272-M422 HydrophobicContact CD2-CE 3.35Å; L272-M422 HydrophobicContact CD2-SD 4.37Å; L272-M422 HydrophobicContact CG-CE 4.16Å; G402-M422 WeakPolarHBondContact O-CE 3.33Å; V405-M422 HydrophobicContact CB-SD 4.07Å; V405-M422 HydrophobicContact CG1-SD 3.62Å; A406-M422 WeakPolarHBondContact CA-SD 3.3Å; A406-M422 HydrophobicContact CB-CE 3.75Å; A406-M422 HydrophobicContact CB-SD 3.84Å; A406-M422 PolarHBondContact N-SD 3.39Å; F409-M422 HydrophobicContact CD2-CG 4.26Å; F409-M422 HydrophobicContact CD2-SD 4.04Å; F409-M422 HydrophobicContact CE2-CG 4.41Å; F409-M422 HydrophobicContact CE2-SD 4.34Å; M418-M422 WeakPolarHBondContact O-CB 3.28Å; M418-M422 PolarHBondContact O-N 3.43Å; M422-V425 PolarHBondContact O-N 3.06Å; M422-A426 WeakPolarHBondContact O-CB 3.09Å; M422-A426 PolarHBondContact O-N 3.01Å |
| 423 | S | 95.9 | Very high | 95.6 | Very high | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.014 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.3 | -40.4 | -179.6 | -63.9 | 0 | 0 | 0 | 0 | 112.7 | G273 A276 G419 F420 L421 A426 L427 | G273-S423 VanDerWaalsContact O-CB 3.32Å; G273-S423 WeakPolarHBondContact O-CB 3.37Å; G273-S423 PolarHBondContact O-OG 3.44Å; A276-S423 WeakPolarHBondContact CB-OG 3.45Å; G419-S423 VanDerWaalsContact O-CB 3.31Å; G419-S423 WeakPolarHBondContact O-CB 3.31Å; G419-S423 PolarHBondContact O-N 3.43Å; G419-S423 VanDerWaalsContact O-N 3.09Å; G419-S423 PolarHBondContact O-OG 2.77Å; F420-S423 PolarHBondContact O-N 3.3Å; L421-S423 VanDerWaalsContact C-N 3.28Å; L421-S423 PolarHBondContact O-N 2.7Å; S423-A426 PolarHBondContact O-N 3.37Å; S423-L427 WeakPolarHBondContact O-CG 3.21Å; S423-L427 PolarHBondContact O-N 3.42Å |
| 424 | G | 96.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.1 | -48.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | F420 L421 A426 L427 I428 | F420-G424 PolarHBondContact O-N 3.45Å; L421-G424 PolarHBondContact O-N 3.09Å; G424-A426 VanDerWaalsContact C-N 3.33Å; G424-A426 PolarHBondContact O-N 2.86Å; G424-L427 PolarHBondContact O-N 2.9Å; G424-I428 WeakPolarHBondContact O-CG1 3.5Å; G424-I428 PolarHBondContact O-N 3.37Å |
| 425 | V | 96.9 | Very high | 95.6 | Very high | 83 Ų | 83 | 31.4 Ų | 31.4 | 50% | 0.503 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -59.4 | -44.4 | 175.4 | 173.1 | 0 | 0 | 0 | 0 | 111 | L342 L421 M422 L427 I428 V429 | L342-V425 HydrophobicContact CD2-CG2 4.02Å; L421-V425 WeakPolarHBondContact O-CG2 3.35Å; L421-V425 PolarHBondContact O-N 3.18Å; M422-V425 PolarHBondContact O-N 3.06Å; V425-L427 VanDerWaalsContact C-N 3.3Å; V425-L427 PolarHBondContact O-N 2.98Å; V425-I428 PolarHBondContact O-N 3.44Å; V425-V429 HydrophobicContact CG1-CG2 4.35Å; V425-V429 WeakPolarHBondContact O-CG2 3.34Å; V425-V429 PolarHBondContact O-N 3.45Å |
| 426 | A | 96.6 | Very high | 95.6 | Very high | 7 Ų | 7 | 31.6 Ų | 31.6 | 6% | 0.058 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59 | -40.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L272 M422 S423 G424 V429 S430 | L272-A426 HydrophobicContact CB-CB 4.36Å; L272-A426 HydrophobicContact CD2-CB 3.43Å; L272-A426 VanDerWaalsContact CD2-CB 3.43Å; M422-A426 WeakPolarHBondContact O-CB 3.09Å; M422-A426 PolarHBondContact O-N 3.01Å; S423-A426 PolarHBondContact O-N 3.37Å; G424-A426 VanDerWaalsContact C-N 3.33Å; G424-A426 PolarHBondContact O-N 2.86Å; A426-V429 PolarHBondContact O-N 3.43Å; A426-S430 WeakPolarHBondContact O-CB 3.46Å; A426-S430 PolarHBondContact O-N 3.43Å |
| 427 | L | 96.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -67.5 | -40.9 | 175.4 | -72.1 | 179.1 | 0 | 0 | 0 | 112.9 | A270 F274 V334 L337 L341 S423 G424 V425 V429 S430 A431 | A270-L427 HydrophobicContact CB-CD2 4.28Å; F274-L427 HydrophobicContact CD1-CD1 4.45Å; F274-L427 HydrophobicContact CD1-CD2 3.79Å; F274-L427 HydrophobicContact CE1-CD1 4.38Å; F274-L427 HydrophobicContact CE1-CD2 3.41Å; F274-L427 VanDerWaalsContact CE1-CD2 3.41Å; F274-L427 HydrophobicContact CZ-CD2 4.21Å; V334-L427 HydrophobicContact CG1-CB 4.43Å; V334-L427 HydrophobicContact CG1-CD2 4.37Å; L337-L427 HydrophobicContact CB-CD1 4.12Å; L337-L427 HydrophobicContact CD2-CD1 3.86Å; L337-L427 HydrophobicContact CG-CD1 3.68Å; L341-L427 HydrophobicContact CD1-CD1 3.52Å; L341-L427 HydrophobicContact CD1-CG 4.49Å; L341-L427 HydrophobicContact CG-CD1 4.41Å; S423-L427 WeakPolarHBondContact O-CG 3.21Å; S423-L427 PolarHBondContact O-N 3.42Å; G424-L427 PolarHBondContact O-N 2.9Å; V425-L427 VanDerWaalsContact C-N 3.3Å; V425-L427 PolarHBondContact O-N 2.98Å; L427-V429 VanDerWaalsContact C-N 3.33Å; L427-V429 PolarHBondContact O-N 3.31Å; L427-S430 WeakPolarHBondContact CA-OG 3.35Å; L427-S430 WeakPolarHBondContact O-CB 3.48Å; L427-S430 PolarHBondContact O-N 3.28Å; L427-S430 VanDerWaalsContact O-N 3.15Å; L427-S430 PolarHBondContact O-OG 3.13Å; L427-A431 PolarHBondContact O-N 3.16Å |
| 428 | I | 96.4 | Very high | 95.3 | Very high | 59 Ų | 59 | 30.7 Ų | 30.7 | 30% | 0.303 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -62.2 | -42.9 | 174.8 | -62.5 | -55.4 | 0 | 0 | 0 | 110.8 | V335 L342 G424 V425 S430 A431 L432 | V335-I428 HydrophobicContact CG1-CD1 4.25Å; L342-I428 HydrophobicContact CD1-CG1 4.22Å; G424-I428 WeakPolarHBondContact O-CG1 3.5Å; G424-I428 PolarHBondContact O-N 3.37Å; V425-I428 PolarHBondContact O-N 3.44Å; I428-S430 VanDerWaalsContact C-N 3.31Å; I428-S430 PolarHBondContact O-N 3.48Å; I428-A431 WeakPolarHBondContact O-CB 3.14Å; I428-A431 PolarHBondContact O-N 3.05Å; I428-L432 PolarHBondContact O-N 2.89Å |
| 429 | V | 96.9 | Very high | 95 | Very high | 45 Ų | 45 | 34 Ų | 34 | 27% | 0.273 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -62 | -40.2 | 173.6 | 172.7 | 0 | 0 | 0 | 0 | 111 | F269 V425 A426 L427 A431 L432 F433 | F269-V429 HydrophobicContact CD1-CB 4.39Å; F269-V429 HydrophobicContact CD1-CG1 3.84Å; F269-V429 HydrophobicContact CD2-CG1 4.34Å; F269-V429 HydrophobicContact CE1-CG1 3.92Å; F269-V429 HydrophobicContact CE2-CG1 4.42Å; F269-V429 HydrophobicContact CG-CG1 4.06Å; F269-V429 HydrophobicContact CZ-CG1 4.22Å; V425-V429 HydrophobicContact CG1-CG2 4.35Å; V425-V429 WeakPolarHBondContact O-CG2 3.34Å; V425-V429 PolarHBondContact O-N 3.45Å; A426-V429 PolarHBondContact O-N 3.43Å; L427-V429 VanDerWaalsContact C-N 3.33Å; L427-V429 PolarHBondContact O-N 3.31Å; V429-A431 VanDerWaalsContact C-N 3.27Å; V429-A431 PolarHBondContact O-N 3.13Å; V429-L432 WeakPolarHBondContact O-CB 3.19Å; V429-L432 PolarHBondContact O-N 2.74Å; V429-L432 VanDerWaalsContact O-N 3.13Å; V429-F433 HydrophobicContact CG1-CE2 4.13Å; V429-F433 WeakPolarHBondContact O-CD2 3.25Å |
| 430 | S | 96.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.2 | -36 | 176.2 | 84.8 | 0 | 0 | 0 | 0 | 112.3 | V334 A426 L427 I428 L432 F433 L434 | V334-S430 VanDerWaalsContact CG1-OG 3.29Å; V334-S430 WeakPolarHBondContact CG1-OG 3.49Å; A426-S430 WeakPolarHBondContact O-CB 3.46Å; A426-S430 PolarHBondContact O-N 3.43Å; L427-S430 WeakPolarHBondContact CA-OG 3.35Å; L427-S430 WeakPolarHBondContact O-CB 3.48Å; L427-S430 PolarHBondContact O-N 3.28Å; L427-S430 VanDerWaalsContact O-N 3.15Å; L427-S430 PolarHBondContact O-OG 3.13Å; I428-S430 VanDerWaalsContact C-N 3.31Å; I428-S430 PolarHBondContact O-N 3.48Å; S430-L432 VanDerWaalsContact C-N 3.31Å; S430-L432 PolarHBondContact O-N 3.21Å; S430-F433 PolarHBondContact O-N 3.15Å; S430-L434 PolarHBondContact O-N 3.13Å |
| 431 | A | 95.7 | Very high | 94.2 | Very high | 2 Ų | 2 | 38.2 Ų | 38.2 | 2% | 0.017 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.6 | -30.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | T331 V334 V335 L427 I428 V429 F433 L434 L435 | T331-A431 HydrophobicContact CG2-CB 4.32Å; V334-A431 HydrophobicContact CG1-CB 4.16Å; V335-A431 HydrophobicContact CG2-CB 3.5Å; V335-A431 VanDerWaalsContact CG2-CB 3.5Å; L427-A431 PolarHBondContact O-N 3.16Å; I428-A431 WeakPolarHBondContact O-CB 3.14Å; I428-A431 PolarHBondContact O-N 3.05Å; V429-A431 VanDerWaalsContact C-N 3.27Å; V429-A431 PolarHBondContact O-N 3.13Å; A431-F433 VanDerWaalsContact C-N 3.28Å; A431-F433 PolarHBondContact O-N 3.17Å; A431-L434 PolarHBondContact O-N 3.03Å; A431-L434 VanDerWaalsContact O-N 3.14Å; A431-L435 WeakPolarHBondContact O-CG 3.33Å; A431-L435 PolarHBondContact O-N 3.43Å |
| 432 | L | 95.7 | Very high | 93.6 | Very high | 93 Ų | 93 | 39 Ų | 39 | 49% | 0.487 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -60.2 | -39.2 | 173.9 | -60.2 | 177 | 0 | 0 | 0 | 111.5 | I428 V429 S430 L434 L435 I436 | I428-L432 PolarHBondContact O-N 2.89Å; V429-L432 WeakPolarHBondContact O-CB 3.19Å; V429-L432 PolarHBondContact O-N 2.74Å; V429-L432 VanDerWaalsContact O-N 3.13Å; S430-L432 VanDerWaalsContact C-N 3.31Å; S430-L432 PolarHBondContact O-N 3.21Å; L432-L434 VanDerWaalsContact C-N 3.34Å; L432-L434 PolarHBondContact O-N 2.74Å; L432-L435 HydrophobicContact CD2-CD1 4.41Å; L432-L435 PolarHBondContact O-N 3.27Å; L432-I436 VanDerWaalsContact O-CG1 3.3Å; L432-I436 WeakPolarHBondContact O-CG1 3.39Å; L432-I436 PolarHBondContact O-N 3.39Å |
| 433 | F | 95.6 | Very high | 93.1 | Very high | 48 Ų | 48 | 43.7 Ų | 43.7 | 21% | 0.211 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.7 | -36.2 | 175.2 | -70.8 | -78.8 | 0 | 0 | 0 | 112.4 | V262 M265 F266 F269 V429 S430 A431 I436 L437 | V262-F433 HydrophobicContact CG1-CB 4.25Å; V262-F433 HydrophobicContact CG1-CD1 4.38Å; V262-F433 WeakPolarHBondContact CG1-O 3.25Å; M265-F433 HydrophobicContact CB-CD1 3.69Å; M265-F433 HydrophobicContact CB-CD2 4.35Å; M265-F433 HydrophobicContact CB-CE1 3.66Å; M265-F433 HydrophobicContact CB-CE2 4.33Å; M265-F433 HydrophobicContact CB-CG 4.04Å; M265-F433 HydrophobicContact CB-CZ 4Å; M265-F433 HydrophobicContact CG-CE1 4.18Å; F266-F433 HydrophobicContact CB-CB 3.97Å; F269-F433 HydrophobicContact CD2-CD2 4.1Å; F269-F433 AromaticContact CD2-CE2 3.49Å; F269-F433 HydrophobicContact CD2-CE2 3.49Å; F269-F433 VanDerWaalsContact CD2-CE2 3.49Å; F269-F433 HydrophobicContact CD2-CZ 4.28Å; F269-F433 AromaticContact CE2-CE2 3.51Å; F269-F433 HydrophobicContact CE2-CE2 3.51Å; F269-F433 AromaticContact CE2-CZ 3.91Å; F269-F433 HydrophobicContact CE2-CZ 3.91Å; F269-F433 HydrophobicContact CG-CE2 4.46Å; F269-F433 HydrophobicContact CZ-CE2 4.47Å; V429-F433 HydrophobicContact CG1-CE2 4.13Å; V429-F433 WeakPolarHBondContact O-CD2 3.25Å; S430-F433 PolarHBondContact O-N 3.15Å; A431-F433 VanDerWaalsContact C-N 3.28Å; A431-F433 PolarHBondContact O-N 3.17Å; F433-I436 PolarHBondContact O-N 3.21Å; F433-L437 WeakPolarHBondContact O-CB 3.33Å; F433-L437 PolarHBondContact O-N 3.48Å |
| 434 | L | 93.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.7 | -36.8 | 173.9 | -65.9 | 177.6 | 0 | 0 | 0 | 112.3 | Y263 F266 L330 T331 V334 S430 A431 L432 L437 H438 | Y263-L434 HydrophobicContact CD2-CD2 4.27Å; Y263-L434 HydrophobicContact CE2-CD2 4.41Å; F266-L434 HydrophobicContact CB-CD2 4.03Å; F266-L434 HydrophobicContact CB-CG 4.18Å; F266-L434 HydrophobicContact CD1-CD2 3.82Å; F266-L434 HydrophobicContact CD1-CG 4.41Å; F266-L434 HydrophobicContact CD2-CD1 3.65Å; F266-L434 HydrophobicContact CD2-CD2 3.91Å; F266-L434 HydrophobicContact CD2-CG 3.57Å; F266-L434 HydrophobicContact CE1-CD2 4.28Å; F266-L434 HydrophobicContact CE2-CD1 3.61Å; F266-L434 HydrophobicContact CE2-CD2 4.38Å; F266-L434 HydrophobicContact CE2-CG 4.07Å; F266-L434 HydrophobicContact CG-CD1 4.24Å; F266-L434 HydrophobicContact CG-CD2 3.61Å; F266-L434 HydrophobicContact CG-CG 3.77Å; F266-L434 HydrophobicContact CZ-CD1 4.14Å; L330-L434 HydrophobicContact CB-CD1 4.34Å; L330-L434 HydrophobicContact CD2-CD1 3.96Å; L330-L434 HydrophobicContact CD2-CD2 4.04Å; L330-L434 HydrophobicContact CG-CD1 3.74Å; T331-L434 HydrophobicContact CG2-CB 4.46Å; T331-L434 VanDerWaalsContact OG1-CB 3.27Å; T331-L434 WeakPolarHBondContact OG1-CB 3.45Å; V334-L434 HydrophobicContact CG2-CD1 4.34Å; S430-L434 PolarHBondContact O-N 3.13Å; A431-L434 PolarHBondContact O-N 3.03Å; A431-L434 VanDerWaalsContact O-N 3.14Å; L432-L434 VanDerWaalsContact C-N 3.34Å; L432-L434 PolarHBondContact O-N 2.74Å; L434-L437 WeakPolarHBondContact O-CB 3.46Å; L434-L437 PolarHBondContact O-N 3.33Å; L434-H438 WeakPolarHBondContact O-CB 3.33Å; L434-H438 PolarHBondContact O-N 3.35Å |
| 435 | L | 93.6 | Very high | 91.6 | Very high | 80 Ų | 80 | 51.1 Ų | 51.1 | 42% | 0.419 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64.3 | -42.3 | 173.4 | -70.2 | 174 | 0 | 0 | 0 | 111.7 | T331 A431 L432 H438 Q439 | T331-L435 HydrophobicContact CG2-CD2 3.82Å; T331-L435 HydrophobicContact CG2-CG 3.94Å; A431-L435 WeakPolarHBondContact O-CG 3.33Å; A431-L435 PolarHBondContact O-N 3.43Å; L432-L435 HydrophobicContact CD2-CD1 4.41Å; L432-L435 PolarHBondContact O-N 3.27Å; L435-H438 PolarHBondContact O-N 2.95Å; L435-Q439 WeakPolarHBondContact O-CG 3.37Å; L435-Q439 PolarHBondContact O-N 2.87Å |
| 436 | I | 93.6 | Very high | 90.8 | Very high | 76 Ų | 76 | 53.2 Ų | 53.2 | 39% | 0.39 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.8 | -46.6 | 173.9 | -67.4 | 164.8 | 0 | 0 | 0 | 110.1 | V262 L432 F433 H438 Q439 M440 | V262-I436 HydrophobicContact CG1-CB 4.33Å; V262-I436 HydrophobicContact CG1-CG2 4.17Å; V262-I436 HydrophobicContact CG2-CG2 4.44Å; L432-I436 VanDerWaalsContact O-CG1 3.3Å; L432-I436 WeakPolarHBondContact O-CG1 3.39Å; L432-I436 PolarHBondContact O-N 3.39Å; F433-I436 PolarHBondContact O-N 3.21Å; I436-H438 VanDerWaalsContact C-N 3.29Å; I436-H438 PolarHBondContact O-N 3.32Å; I436-Q439 PolarHBondContact O-N 3.49Å; I436-M440 HydrophobicContact CG2-CG 4.46Å; I436-M440 HydrophobicContact CG2-SD 4.08Å; I436-M440 WeakPolarHBondContact O-CG 3.42Å; I436-M440 PolarHBondContact O-N 3.13Å |
| 437 | L | 91.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.6 | -42.9 | 177.1 | 178.7 | 63.9 | 0 | 0 | 0 | 111.7 | R259 V262 Y263 V327 V378 F433 L434 M440 N441 | R259-L437 HydrophobicContact CB-CD1 3.88Å; R259-L437 HydrophobicContact CG-CD1 4.24Å; V262-L437 HydrophobicContact CG1-CB 3.94Å; Y263-L437 HydrophobicContact CD2-CD2 3.81Å; Y263-L437 HydrophobicContact CG-CD2 4.48Å; V327-L437 HydrophobicContact CG1-CD2 4.35Å; V327-L437 HydrophobicContact CG2-CD2 4.46Å; V378-L437 HydrophobicContact CG2-CD2 3.9Å; F433-L437 WeakPolarHBondContact O-CB 3.33Å; F433-L437 PolarHBondContact O-N 3.48Å; L434-L437 WeakPolarHBondContact O-CB 3.46Å; L434-L437 PolarHBondContact O-N 3.33Å; L437-M440 PolarHBondContact O-N 2.79Å; L437-N441 PolarHBondContact O-N 3.44Å |
| 438 | H | 89.9 | Confident | 89.3 | Confident | 17 Ų | 17 | 60.6 Ų | 60.6 | 8% | 0.079 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.8 | -43 | 176.6 | -179.9 | 61.4 | 0 | 0 | 0 | 112 | E325 V327 Q328 L434 L435 I436 M440 N441 Q442 | E325-H438 IonicContact OE2-CE1 3.51Å; E325-H438 PolarHBondContact OE2-CE1 3.28Å; E325-H438 IonicContact OE2-ND1 3.4Å; E325-H438 PolarHBondContact OE2-ND1 3.23Å; V327-H438 HydrophobicContact CG1-CB 4.02Å; Q328-H438 PolarHBondContact NE2-CE1 3.36Å; Q328-H438 PolarHBondContact NE2-NE2 3.37Å; L434-H438 WeakPolarHBondContact O-CB 3.33Å; L434-H438 PolarHBondContact O-N 3.35Å; L435-H438 PolarHBondContact O-N 2.95Å; I436-H438 VanDerWaalsContact C-N 3.29Å; I436-H438 PolarHBondContact O-N 3.32Å; H438-M440 PolarHBondContact O-N 3.41Å; H438-N441 PolarHBondContact O-N 3.07Å; H438-Q442 PolarHBondContact CE1-NE2 3.26Å; H438-Q442 PolarHBondContact NE2-NE2 2.93Å; H438-Q442 PolarHBondContact O-N 3.01Å |
| 439 | Q | 89.6 | Confident | 88.5 | Confident | 118 Ų | 118 | 61.5 Ų | 61.5 | 55% | 0.551 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -61.4 | -42.4 | 174.9 | -71.8 | 178.8 | -4.1 | 0 | 0 | 112.3 | L435 I436 N441 Q442 Q443 | L435-Q439 WeakPolarHBondContact O-CG 3.37Å; L435-Q439 PolarHBondContact O-N 2.87Å; I436-Q439 PolarHBondContact O-N 3.49Å; Q439-N441 VanDerWaalsContact C-N 3.3Å; Q439-N441 PolarHBondContact O-N 2.76Å; Q439-Q442 PolarHBondContact O-N 3.41Å; Q439-Q443 WeakPolarHBondContact O-CG 3.26Å; Q439-Q443 PolarHBondContact O-N 2.98Å |
| 440 | M | 89 | Confident | 87.8 | Confident | 58 Ų | 58 | 63.9 Ų | 63.9 | 29% | 0.286 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.8 | -38.9 | 175.9 | -67.8 | 171.8 | 73 | 0 | 0 | 111.9 | R259 V262 I436 L437 H438 S444 | R259-M440 HydrophobicContact CG-CE 3.89Å; V262-M440 HydrophobicContact CG2-SD 4Å; I436-M440 HydrophobicContact CG2-CG 4.46Å; I436-M440 HydrophobicContact CG2-SD 4.08Å; I436-M440 WeakPolarHBondContact O-CG 3.42Å; I436-M440 PolarHBondContact O-N 3.13Å; L437-M440 PolarHBondContact O-N 2.79Å; H438-M440 PolarHBondContact O-N 3.41Å; M440-S444 WeakPolarHBondContact O-CB 3.36Å; M440-S444 PolarHBondContact O-N 3.03Å; M440-S444 VanDerWaalsContact O-N 3.17Å |
| 441 | N | 85.4 | Confident | 87.1 | Confident | 30 Ų | 30 | 66.7 Ų | 66.7 | 16% | 0.16 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -66.9 | -45.6 | 176.8 | -73.7 | -5.9 | 0 | 0 | 0 | 111.4 | L437 H438 Q439 S444 Q445 | L437-N441 PolarHBondContact O-N 3.44Å; H438-N441 PolarHBondContact O-N 3.07Å; Q439-N441 VanDerWaalsContact C-N 3.3Å; Q439-N441 PolarHBondContact O-N 2.76Å; N441-S444 PolarHBondContact O-N 3.08Å; N441-Q445 PolarHBondContact O-N 3.37Å; N441-Q445 VanDerWaalsContact O-N 3.11Å |
| 442 | Q | 85 | Confident | 86.4 | Confident | 74 Ų | 74 | 68.7 Ų | 68.7 | 35% | 0.346 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.5 | -43.6 | 176.7 | -72.8 | -161.8 | 5.1 | 0 | 0 | 112.9 | H438 Q439 S444 Q445 K446 | H438-Q442 PolarHBondContact CE1-NE2 3.26Å; H438-Q442 PolarHBondContact NE2-NE2 2.93Å; H438-Q442 PolarHBondContact O-N 3.01Å; Q439-Q442 PolarHBondContact O-N 3.41Å; Q442-S444 VanDerWaalsContact C-N 3.32Å; Q442-S444 PolarHBondContact O-N 2.88Å; Q442-Q445 PolarHBondContact O-N 3.05Å; Q442-K446 WeakPolarHBondContact O-CG 3.47Å; Q442-K446 PolarHBondContact O-N 2.94Å |
| 443 | Q | 85.6 | Confident | 85.9 | Confident | 125 Ų | 125 | 68.7 Ų | 68.7 | 58% | 0.584 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -60.6 | -43.8 | 178.2 | -76.9 | 179.5 | -7 | 0 | 0 | 111.3 | Q439 Q445 K446 T447 | Q439-Q443 WeakPolarHBondContact O-CG 3.26Å; Q439-Q443 PolarHBondContact O-N 2.98Å; Q443-Q445 VanDerWaalsContact C-N 3.33Å; Q443-Q445 PolarHBondContact O-N 3.24Å; Q443-K446 PolarHBondContact O-N 3.47Å; Q443-T447 PolarHBondContact O-N 3.35Å; Q443-T447 PolarHBondContact O-OG1 3.27Å |
| 444 | S | 81.8 | Confident | 85.4 | Confident | 50 Ų | 50 | 70.1 Ų | 70.1 | 35% | 0.35 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61.8 | -39.3 | 177.2 | -170.6 | 0 | 0 | 0 | 0 | 113.1 | R259 M440 N441 Q442 A448 | R259-S444 PolarHBondContact NH2-OG 2.84Å; M440-S444 WeakPolarHBondContact O-CB 3.36Å; M440-S444 PolarHBondContact O-N 3.03Å; M440-S444 VanDerWaalsContact O-N 3.17Å; N441-S444 PolarHBondContact O-N 3.08Å; Q442-S444 VanDerWaalsContact C-N 3.32Å; Q442-S444 PolarHBondContact O-N 2.88Å; S444-A448 WeakPolarHBondContact O-CB 3.33Å; S444-A448 PolarHBondContact O-N 3.16Å; S444-A448 VanDerWaalsContact O-N 3.12Å |
| 445 | Q | 79.5 | Confident | 84.9 | Confident | 109 Ų | 109 | 76.7 Ų | 76.7 | 51% | 0.509 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -67.6 | -40.4 | 176.2 | -72.6 | 176.8 | 7.1 | 0 | 0 | 111.6 | E325 N441 Q442 Q443 A448 T449 | E325-Q445 PolarHBondContact OE1-NE2 3.4Å; N441-Q445 PolarHBondContact O-N 3.37Å; N441-Q445 VanDerWaalsContact O-N 3.11Å; Q442-Q445 PolarHBondContact O-N 3.05Å; Q443-Q445 VanDerWaalsContact C-N 3.33Å; Q443-Q445 PolarHBondContact O-N 3.24Å; Q445-A448 PolarHBondContact O-N 3.1Å; Q445-T449 WeakPolarHBondContact O-CB 3.36Å; Q445-T449 PolarHBondContact O-N 3.14Å; Q445-T449 PolarHBondContact O-OG1 3.34Å |
| 446 | K | 80.2 | Confident | 84.3 | Confident | 127 Ų | 127 | 79.8 Ų | 79.8 | 55% | 0.552 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -61.5 | -51 | 175.5 | -73.3 | 176.8 | -178.1 | 177.3 | 0 | 111.4 | Q442 Q443 A448 T449 D450 | Q442-K446 WeakPolarHBondContact O-CG 3.47Å; Q442-K446 PolarHBondContact O-N 2.94Å; Q443-K446 PolarHBondContact O-N 3.47Å; K446-A448 VanDerWaalsContact C-N 3.3Å; K446-A448 PolarHBondContact O-N 3.12Å; K446-T449 PolarHBondContact O-N 3.47Å; K446-T449 VanDerWaalsContact O-N 3.09Å; K446-D450 PolarHBondContact O-N 3.02Å |
| 447 | T | 81.7 | Confident | 83.7 | Confident | 99 Ų | 99 | 83.3 Ų | 83.3 | 61% | 0.607 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -59.4 | -40 | 178.6 | -50.8 | 0 | 0 | 0 | 0 | 112.3 | Q443 A451 | Q443-T447 PolarHBondContact O-N 3.35Å; Q443-T447 PolarHBondContact O-OG1 3.27Å; T447-A451 WeakPolarHBondContact O-CB 3.26Å; T447-A451 PolarHBondContact O-N 3.2Å |
| 448 | A | 78.4 | Confident | 83.3 | Confident | 62 Ų | 62 | 88.1 Ų | 88.1 | 51% | 0.512 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -66.2 | -39.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | S444 Q445 K446 A451 A452 | S444-A448 WeakPolarHBondContact O-CB 3.33Å; S444-A448 PolarHBondContact O-N 3.16Å; S444-A448 VanDerWaalsContact O-N 3.12Å; Q445-A448 PolarHBondContact O-N 3.1Å; K446-A448 VanDerWaalsContact C-N 3.3Å; K446-A448 PolarHBondContact O-N 3.12Å; A448-A451 PolarHBondContact O-N 3.34Å; A448-A452 WeakPolarHBondContact O-CB 3.41Å; A448-A452 PolarHBondContact O-N 3.23Å |
| 449 | T | 80.4 | Confident | 82.8 | Confident | 79 Ų | 79 | 95.2 Ų | 95.2 | 49% | 0.485 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.5 | -43.4 | 177.4 | -53.5 | 0 | 0 | 0 | 0 | 111.2 | Q445 K446 A452 L453 | Q445-T449 WeakPolarHBondContact O-CB 3.36Å; Q445-T449 PolarHBondContact O-N 3.14Å; Q445-T449 PolarHBondContact O-OG1 3.34Å; K446-T449 PolarHBondContact O-N 3.47Å; K446-T449 VanDerWaalsContact O-N 3.09Å; T449-A452 PolarHBondContact O-N 3.09Å; T449-L453 HydrophobicContact CG2-CD1 4.22Å; T449-L453 WeakPolarHBondContact O-CB 3.47Å; T449-L453 WeakPolarHBondContact O-CG 3.25Å; T449-L453 PolarHBondContact O-N 3.16Å |
| 450 | D | 82.9 | Confident | 82.1 | Confident | 95 Ų | 95 | 97 Ų | 97 | 51% | 0.508 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.1 | -39.5 | 177.4 | -69 | -22.8 | 0 | 0 | 0 | 111.8 | K446 L453 T454 | K446-D450 PolarHBondContact O-N 3.02Å; D450-L453 PolarHBondContact O-N 3.39Å; D450-T454 WeakPolarHBondContact O-CB 3.39Å; D450-T454 PolarHBondContact O-N 2.83Å; D450-T454 PolarHBondContact O-OG1 3.17Å |
| 451 | A | 80.7 | Confident | 81.6 | Confident | 58 Ų | 58 | 102.6 Ų | 102.6 | 48% | 0.479 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.4 | -46.7 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | T447 A448 L453 T454 E455 | T447-A451 WeakPolarHBondContact O-CB 3.26Å; T447-A451 PolarHBondContact O-N 3.2Å; A448-A451 PolarHBondContact O-N 3.34Å; A451-L453 VanDerWaalsContact C-N 3.34Å; A451-L453 PolarHBondContact O-N 3.39Å; A451-T454 WeakPolarHBondContact O-CB 3.5Å; A451-T454 PolarHBondContact O-N 3.07Å; A451-E455 WeakPolarHBondContact O-CB 3.47Å; A451-E455 PolarHBondContact O-N 2.92Å |
| 452 | A | 81.3 | Confident | 80.9 | Confident | 45 Ų | 45 | 105.7 Ų | 105.7 | 37% | 0.372 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.5 | -36 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | A448 T449 K456 | A448-A452 WeakPolarHBondContact O-CB 3.41Å; A448-A452 PolarHBondContact O-N 3.23Å; T449-A452 PolarHBondContact O-N 3.09Å; A452-K456 WeakPolarHBondContact O-CB 3.39Å; A452-K456 WeakPolarHBondContact O-CG 3.48Å; A452-K456 PolarHBondContact O-N 2.8Å |
| 453 | L | 84.8 | Confident | 79.9 | Confident | 92 Ų | 92 | 109.4 Ų | 109.4 | 48% | 0.482 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -67.1 | -38.9 | 173.4 | -75.3 | 168.6 | 0 | 0 | 0 | 111.8 | T449 D450 A451 K457 | T449-L453 HydrophobicContact CG2-CD1 4.22Å; T449-L453 WeakPolarHBondContact O-CB 3.47Å; T449-L453 WeakPolarHBondContact O-CG 3.25Å; T449-L453 PolarHBondContact O-N 3.16Å; D450-L453 PolarHBondContact O-N 3.39Å; A451-L453 VanDerWaalsContact C-N 3.34Å; A451-L453 PolarHBondContact O-N 3.39Å; L453-K457 WeakPolarHBondContact O-CG 3.36Å; L453-K457 PolarHBondContact O-N 2.85Å |
| 454 | T | 84.3 | Confident | 78.3 | Confident | 78 Ų | 78 | 111.3 Ų | 111.3 | 48% | 0.479 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -66.7 | -44.8 | 176.9 | -55.9 | 0 | 0 | 0 | 0 | 111 | D450 A451 K456 K457 I458 | D450-T454 WeakPolarHBondContact O-CB 3.39Å; D450-T454 PolarHBondContact O-N 2.83Å; D450-T454 PolarHBondContact O-OG1 3.17Å; A451-T454 WeakPolarHBondContact O-CB 3.5Å; A451-T454 PolarHBondContact O-N 3.07Å; T454-K456 PolarHBondContact O-N 3.03Å; T454-K457 WeakPolarHBondContact O-CB 3.19Å; T454-K457 PolarHBondContact O-N 3.35Å; T454-K457 VanDerWaalsContact O-N 3.15Å; T454-I458 HydrophobicContact CG2-CD1 4.1Å; T454-I458 WeakPolarHBondContact O-CG1 3.17Å; T454-I458 PolarHBondContact O-N 3.35Å |
| 455 | E | 83.8 | Confident | 78.1 | Confident | 138 Ų | 138 | 114.4 Ų | 114.4 | 65% | 0.645 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -61.2 | -45.1 | 175.9 | -167 | 177 | -170.7 | 0 | 0 | 111.6 | A451 K457 I458 W459 | A451-E455 WeakPolarHBondContact O-CB 3.47Å; A451-E455 PolarHBondContact O-N 2.92Å; E455-K457 VanDerWaalsContact C-N 3.3Å; E455-K457 PolarHBondContact O-N 3.29Å; E455-I458 PolarHBondContact O-N 2.91Å; E455-W459 WeakPolarHBondContact O-CB 3.21Å; E455-W459 PolarHBondContact O-N 3.5Å |
| 456 | K | 81.3 | Confident | 78 | Confident | 146 Ų | 146 | 114.6 Ų | 114.6 | 64% | 0.635 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -59.9 | -37.4 | 173.2 | -79.8 | -178.9 | 179.8 | 178.6 | 0 | 113.1 | A452 T454 K460 | A452-K456 WeakPolarHBondContact O-CB 3.39Å; A452-K456 WeakPolarHBondContact O-CG 3.48Å; A452-K456 PolarHBondContact O-N 2.8Å; T454-K456 PolarHBondContact O-N 3.03Å; K456-K460 WeakPolarHBondContact O-CG 3.39Å; K456-K460 PolarHBondContact O-N 3.16Å; K456-K460 VanDerWaalsContact O-N 3.08Å |
| 457 | K | 81.6 | Confident | 77.9 | Confident | 149 Ų | 149 | 113.9 Ų | 113.9 | 65% | 0.648 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -67.8 | -40.9 | 175.9 | -79.6 | 177.2 | -179 | 176.8 | 0 | 111.8 | L453 T454 E455 K461 | L453-K457 WeakPolarHBondContact O-CG 3.36Å; L453-K457 PolarHBondContact O-N 2.85Å; T454-K457 WeakPolarHBondContact O-CB 3.19Å; T454-K457 PolarHBondContact O-N 3.35Å; T454-K457 VanDerWaalsContact O-N 3.15Å; E455-K457 VanDerWaalsContact C-N 3.3Å; E455-K457 PolarHBondContact O-N 3.29Å; K457-K461 PolarHBondContact O-N 3.07Å |
| 458 | I | 82 | Confident | 77.7 | Confident | 102 Ų | 102 | 114.8 Ų | 114.8 | 52% | 0.523 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -64.6 | -47.1 | 176 | -66.8 | 165.4 | 0 | 0 | 0 | 109.9 | T454 E455 K460 K461 C462 | T454-I458 HydrophobicContact CG2-CD1 4.1Å; T454-I458 WeakPolarHBondContact O-CG1 3.17Å; T454-I458 PolarHBondContact O-N 3.35Å; E455-I458 PolarHBondContact O-N 2.91Å; I458-K460 VanDerWaalsContact C-N 3.33Å; I458-K460 PolarHBondContact O-N 2.84Å; I458-K461 PolarHBondContact O-N 3.49Å; I458-C462 PolarHBondContact O-N 2.93Å |
| 459 | W | 79.3 | Confident | 77.6 | Confident | 165 Ų | 165 | 118.1 Ų | 118.1 | 63% | 0.625 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -59.2 | -43.2 | 179.4 | -145.7 | 80.9 | 0 | 0 | 0 | 112.2 | E455 K461 C462 F463 | E455-W459 WeakPolarHBondContact O-CB 3.21Å; E455-W459 PolarHBondContact O-N 3.5Å; W459-K461 VanDerWaalsContact C-N 3.3Å; W459-K461 PolarHBondContact O-N 3.13Å; W459-C462 PolarHBondContact O-N 3.2Å; W459-F463 AromaticContact CD2-CD2 4Å; W459-F463 HydrophobicContact CD2-CD2 4Å; W459-F463 HydrophobicContact CD2-CE2 4.29Å; W459-F463 AromaticContact CE2-CD2 3.94Å; W459-F463 AromaticContact CE2-CE2 3.77Å; W459-F463 HydrophobicContact CE3-CD2 4.29Å; W459-F463 HydrophobicContact CG-CD2 4.44Å; W459-F463 HydrophobicContact CH2-CD2 4.5Å; W459-F463 HydrophobicContact CZ2-CD2 4.21Å; W459-F463 AromaticContact CZ2-CE2 3.94Å; W459-F463 HydrophobicContact CZ2-CE2 3.94Å; W459-F463 HydrophobicContact CZ2-CZ 4.41Å; W459-F463 AromaticContact NE1-CE2 3.87Å; W459-F463 PolarHBondContact O-N 3.12Å |
| 460 | K | 75.5 | Confident | 77.4 | Confident | 155 Ų | 155 | 120.7 Ų | 120.7 | 67% | 0.674 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -63.3 | -30.2 | 173.4 | -79.4 | -174.2 | 175.8 | -171.9 | 0 | 113.9 | K456 I458 C464 | K456-K460 WeakPolarHBondContact O-CG 3.39Å; K456-K460 PolarHBondContact O-N 3.16Å; K456-K460 VanDerWaalsContact O-N 3.08Å; I458-K460 VanDerWaalsContact C-N 3.33Å; I458-K460 PolarHBondContact O-N 2.84Å; K460-C464 WeakPolarHBondContact O-CB 3.38Å; K460-C464 PolarHBondContact O-N 3.15Å |
| 461 | K | 78.4 | Confident | 77 | Confident | 176 Ų | 176 | 122.6 Ų | 122.6 | 77% | 0.765 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -80.4 | -22.5 | 176.7 | -81 | -173.2 | 175.8 | -172.7 | 0 | 113.9 | K457 I458 W459 | K457-K461 PolarHBondContact O-N 3.07Å; I458-K461 PolarHBondContact O-N 3.49Å; W459-K461 VanDerWaalsContact C-N 3.3Å; W459-K461 PolarHBondContact O-N 3.13Å |
| 462 | C | 71.3 | Confident | 76.8 | Confident | 96 Ų | 96 | 127.5 Ų | 127.5 | 65% | 0.649 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -90.3 | -20.6 | 179.6 | -71.6 | 0 | 0 | 0 | 0 | 113.5 | I458 W459 | I458-C462 PolarHBondContact O-N 2.93Å; W459-C462 PolarHBondContact O-N 3.2Å |
| 463 | F | 63.8 | Low | 76.4 | Confident | 152 Ų | 152 | 134.4 Ų | 134.4 | 67% | 0.667 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -114.3 | -1.9 | -176.4 | -80.5 | -83.5 | 0 | 0 | 0 | 114.6 | W459 | W459-F463 AromaticContact CD2-CD2 4Å; W459-F463 HydrophobicContact CD2-CD2 4Å; W459-F463 HydrophobicContact CD2-CE2 4.29Å; W459-F463 AromaticContact CE2-CD2 3.94Å; W459-F463 AromaticContact CE2-CE2 3.77Å; W459-F463 HydrophobicContact CE3-CD2 4.29Å; W459-F463 HydrophobicContact CG-CD2 4.44Å; W459-F463 HydrophobicContact CH2-CD2 4.5Å; W459-F463 HydrophobicContact CZ2-CD2 4.21Å; W459-F463 AromaticContact CZ2-CE2 3.94Å; W459-F463 HydrophobicContact CZ2-CE2 3.94Å; W459-F463 HydrophobicContact CZ2-CZ 4.41Å; W459-F463 AromaticContact NE1-CE2 3.87Å; W459-F463 PolarHBondContact O-N 3.12Å |
| 464 | C | 50.7 | Low | 75.6 | Confident | 164 Ų | 164 | 138.3 Ų | 138.3 | 100% | 1.108 | 67% | 0.674 | S | S | * | * | trans | -108 | 0 | 161.7 | -72.8 | 0 | 0 | 0 | 0 | 108.1 | K460 | K460-C464 WeakPolarHBondContact O-CB 3.38Å; K460-C464 PolarHBondContact O-N 3.15Å |
Retrieved 464 of 464 residues in 294.8 ms
(Link to these results)