| 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 | 30.4 | Very low | 41.1 | Very low | 228 Ų | 228 | 139.9 Ų | 139.9 | 100% | 1.123 | 72% | 0.723 | S | S | * | * | 0 | 82.2 | 0 | -165.4 | 178.6 | -101.1 | 0 | 0 | 106.1 | |||||
| 2 | F | 23.2 | Very low | 43.8 | Very low | 206 Ų | 206 | 130.6 Ų | 130.6 | 90% | 0.904 | 68% | 0.679 | S | S | * | * | trans | -101.1 | 114.2 | -177.4 | -73.5 | -85.2 | 0 | 0 | 0 | 107.3 | ||||
| 3 | T | 29.6 | Very low | 46.9 | Very low | 126 Ų | 126 | 131.8 Ų | 131.8 | 77% | 0.773 | 70% | 0.695 | S | S | * | * | trans | -133.7 | 98 | 172.9 | 40.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 4 | N | 28.1 | Very low | 50.1 | Low | 147 Ų | 147 | 125.3 Ų | 125.3 | 79% | 0.786 | 66% | 0.661 | S | S | * | * | trans | 48.3 | 80.1 | 147.4 | -59.6 | -8 | 0 | 0 | 0 | 117.5 | ||||
| 5 | V | 33.8 | Very low | 52.8 | Low | 140 Ų | 140 | 123 Ų | 123 | 85% | 0.848 | 68% | 0.679 | S | S | * | * | trans | -66.7 | 123.7 | 138.7 | -178.3 | 0 | 0 | 0 | 0 | 105.6 | G7 | V5-G7 PolarHBondContact O-N 3.08Š| ||
| 6 | V | 39.8 | Very low | 55.2 | Low | 105 Ų | 105 | 118.1 Ų | 118.1 | 64% | 0.636 | 65% | 0.652 | S | S | * | * | trans | -61.8 | 85.1 | 170.7 | -175.3 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 7 | G | 40.8 | Very low | 57.2 | Low | 28 Ų | 28 | 117.2 Ų | 117.2 | 29% | 0.289 | 65% | 0.653 | S | S | . | * | trans | -78.1 | 144.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | V5 W9 | V5-G7 PolarHBondContact O-N 3.08Å; G7-W9 PolarHBondContact O-N 2.92Å | ||
| 8 | F | 50.4 | Low | 59.2 | Low | 200 Ų | 200 | 119.2 Ų | 119.2 | 88% | 0.877 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.6 | -4.1 | 176.3 | -82.6 | -90 | 0 | 0 | 0 | 116.3 | T10 | F8-T10 VanDerWaalsContact C-N 3.29Å; F8-T10 PolarHBondContact O-N 3.12Å |
| 9 | W | 49 | Very low | 61 | Low | 245 Ų | 245 | 115.1 Ų | 115.1 | 93% | 0.928 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | -18.2 | -170.2 | -61.1 | 105.1 | 0 | 0 | 0 | 114.9 | G7 | G7-W9 PolarHBondContact O-N 2.92Š|
| 10 | T | 59.8 | Low | 62.6 | Low | 71 Ų | 71 | 110.1 Ų | 110.1 | 44% | 0.436 | 60% | 0.598 | S | S | . | * | S | Bend | trans | -118 | -14.7 | -179.3 | 58.8 | 0 | 0 | 0 | 0 | 114.2 | F8 S12 Q147 | F8-T10 VanDerWaalsContact C-N 3.29Å; F8-T10 PolarHBondContact O-N 3.12Å; T10-S12 PolarHBondContact O-N 3.17Å; T10-Q147 WeakPolarHBondContact O-CB 3.46Å; T10-Q147 WeakPolarHBondContact O-CG 3.4Å |
| 11 | A | 67 | Low | 64.1 | Low | 43 Ų | 43 | 106.9 Ų | 106.9 | 36% | 0.355 | 58% | 0.579 | S | S | . | * | trans | -68.8 | 129.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V13 | A11-V13 PolarHBondContact O-N 2.76Š| ||
| 12 | S | 74.4 | Confident | 67.2 | Low | 28 Ų | 28 | 97.3 Ų | 97.3 | 20% | 0.196 | 53% | 0.532 | C | S | . | . | trans | -65.5 | 131.9 | 172.9 | -79.9 | 0 | 0 | 0 | 0 | 110.1 | T10 L14 N20 Q147 | T10-S12 PolarHBondContact O-N 3.17Å; S12-L14 PolarHBondContact O-N 2.87Å; S12-N20 PolarHBondContact N-OD1 2.77Å; S12-N20 VanDerWaalsContact N-OD1 3.07Å; S12-N20 PolarHBondContact O-ND2 2.88Å; S12-Q147 PolarHBondContact OG-OE1 3.29Å | ||
| 13 | V | 83.9 | Confident | 70.6 | Confident | 146 Ų | 146 | 87.5 Ų | 87.5 | 89% | 0.885 | 49% | 0.489 | S | S | * | . | trans | -87.6 | 106.4 | 177 | -176.5 | 0 | 0 | 0 | 0 | 109 | A11 | A11-V13 PolarHBondContact O-N 2.76Š| ||
| 14 | L | 91 | Very high | 73.8 | Confident | 41 Ų | 41 | 82.7 Ų | 82.7 | 22% | 0.215 | 46% | 0.458 | C | S | . | . | trans | -120.2 | 170.3 | 176.4 | -66.4 | 174.8 | 0 | 0 | 0 | 110.3 | S12 D16 M19 L26 F33 | S12-L14 PolarHBondContact O-N 2.87Å; L14-D16 VanDerWaalsContact C-N 3.26Å; L14-D16 PolarHBondContact O-N 3.06Å; L14-M19 HydrophobicContact CB-CB 4.09Å; L14-M19 HydrophobicContact CB-CG 4.03Å; L14-M19 HydrophobicContact CD1-CB 3.68Å; L14-M19 HydrophobicContact CD1-CG 4.05Å; L14-M19 HydrophobicContact CG-CB 4.48Å; L14-L26 HydrophobicContact CD1-CD1 3.82Å; L14-F33 HydrophobicContact CD2-CB 4.38Å | ||
| 15 | G | 90.6 | Very high | 77 | Confident | 91 Ų | 91 | 78.2 Ų | 78.2 | 94% | 0.938 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -61.9 | -28.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 16 | D | 92.3 | Very high | 79.9 | Confident | 44 Ų | 44 | 71.6 Ų | 71.6 | 24% | 0.235 | 39% | 0.394 | C | S | . | . | S | Bend | trans | -106.1 | 128.1 | 170.2 | -176.4 | -78.6 | 0 | 0 | 0 | 109.8 | L14 R18 M19 | L14-D16 VanDerWaalsContact C-N 3.26Å; L14-D16 PolarHBondContact O-N 3.06Å; D16-R18 PolarHBondContact O-N 2.98Å; D16-R18 VanDerWaalsContact O-N 3.11Å; D16-R18 WeakPolarHBondContact OD1-CA 3.35Å; D16-R18 WeakPolarHBondContact OD1-CB 3.41Å; D16-R18 IonicContact OD1-CZ 3.64Å; D16-R18 PolarHBondContact OD1-N 3.38Å; D16-R18 IonicContact OD1-NE 2.93Å; D16-R18 PolarHBondContact OD1-NE 3.06Å; D16-R18 VanDerWaalsContact OD1-NE 3.12Å; D16-R18 IonicContact OD1-NH2 3.45Å; D16-R18 IonicContact OD2-CZ 3.59Å; D16-R18 IonicContact OD2-NE 3.68Å; D16-R18 PolarHBondContact OD2-NE 2.73Å; D16-R18 IonicContact OD2-NH2 3.01Å; D16-R18 PolarHBondContact OD2-NH2 3.37Å; D16-M19 HydrophobicContact CB-CE 3.7Å; D16-M19 HydrophobicContact CB-CG 4Å; D16-M19 VanDerWaalsContact O-CG 3.27Å; D16-M19 WeakPolarHBondContact O-CG 3Å; D16-M19 PolarHBondContact O-N 3.09Å |
| 17 | P | 89.2 | Confident | 82.6 | Confident | 104 Ų | 104 | 66.6 Ų | 66.6 | 68% | 0.675 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -11.9 | -174.8 | 27.5 | -35.3 | 0 | 0 | 0 | 113.8 | ||
| 18 | R | 92.2 | Very high | 85.2 | Confident | 153 Ų | 153 | 68.5 Ų | 68.5 | 58% | 0.577 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | 4.4 | -179.2 | -54 | 161.7 | -70.2 | -173.8 | -3 | 112.4 | D16 N20 E21 L25 W144 | D16-R18 PolarHBondContact O-N 2.98Å; D16-R18 VanDerWaalsContact O-N 3.11Å; D16-R18 WeakPolarHBondContact OD1-CA 3.35Å; D16-R18 WeakPolarHBondContact OD1-CB 3.41Å; D16-R18 IonicContact OD1-CZ 3.64Å; D16-R18 PolarHBondContact OD1-N 3.38Å; D16-R18 IonicContact OD1-NE 2.93Å; D16-R18 PolarHBondContact OD1-NE 3.06Å; D16-R18 VanDerWaalsContact OD1-NE 3.12Å; D16-R18 IonicContact OD1-NH2 3.45Å; D16-R18 IonicContact OD2-CZ 3.59Å; D16-R18 IonicContact OD2-NE 3.68Å; D16-R18 PolarHBondContact OD2-NE 2.73Å; D16-R18 IonicContact OD2-NH2 3.01Å; D16-R18 PolarHBondContact OD2-NH2 3.37Å; R18-N20 PolarHBondContact O-N 3.42Å; R18-N20 VanDerWaalsContact O-N 3.1Å; R18-E21 WeakPolarHBondContact O-CB 3.22Å; R18-E21 PolarHBondContact O-N 2.89Å; R18-L25 WeakPolarHBondContact O-CD2 3.47Å; R18-W144 HydrophobicContact CB-CH2 4.36Å; R18-W144 HydrophobicContact CG-CH2 4.4Å |
| 19 | M | 93.5 | Very high | 87.4 | Confident | 41 Ų | 41 | 59.3 Ų | 59.3 | 20% | 0.202 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -20.7 | 178.5 | -71 | -71.1 | 143 | 0 | 0 | 113.6 | L14 D16 E21 L25 L26 | L14-M19 HydrophobicContact CB-CB 4.09Å; L14-M19 HydrophobicContact CB-CG 4.03Å; L14-M19 HydrophobicContact CD1-CB 3.68Å; L14-M19 HydrophobicContact CD1-CG 4.05Å; L14-M19 HydrophobicContact CG-CB 4.48Å; D16-M19 HydrophobicContact CB-CE 3.7Å; D16-M19 HydrophobicContact CB-CG 4Å; D16-M19 VanDerWaalsContact O-CG 3.27Å; D16-M19 WeakPolarHBondContact O-CG 3Å; D16-M19 PolarHBondContact O-N 3.09Å; M19-E21 VanDerWaalsContact C-N 3.28Å; M19-L25 HydrophobicContact CE-CD1 4.07Å; M19-L25 HydrophobicContact SD-CD1 3.79Å; M19-L25 HydrophobicContact SD-CD2 4.49Å; M19-L25 HydrophobicContact SD-CG 3.89Å; M19-L26 VanDerWaalsContact O-CA 3.27Å; M19-L26 WeakPolarHBondContact O-CA 3Å; M19-L26 WeakPolarHBondContact O-CB 3.35Å; M19-L26 PolarHBondContact O-N 3Å |
| 20 | N | 93.5 | Very high | 89.6 | Confident | 14 Ų | 14 | 49.2 Ų | 49.2 | 8% | 0.075 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 6.1 | 175.5 | -64.8 | -84 | 0 | 0 | 0 | 113.5 | S12 R18 N22 W144 A146 | S12-N20 PolarHBondContact N-OD1 2.77Å; S12-N20 VanDerWaalsContact N-OD1 3.07Å; S12-N20 PolarHBondContact O-ND2 2.88Å; R18-N20 PolarHBondContact O-N 3.42Å; R18-N20 VanDerWaalsContact O-N 3.1Å; N20-N22 VanDerWaalsContact C-N 3.33Å; N20-N22 PolarHBondContact O-N 3.28Å; N20-W144 HydrophobicContact CB-CE3 4.34Å; N20-W144 HydrophobicContact CB-CZ3 4.46Å; N20-W144 WeakPolarHBondContact O-CA 3.13Å; N20-A146 WeakPolarHBondContact O-CB 3.37Å |
| 21 | E | 93.9 | Very high | 91.4 | Very high | 44 Ų | 44 | 46.1 Ų | 46.1 | 21% | 0.206 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -64.2 | -37.1 | -173.9 | -172.9 | -93.2 | -173.5 | 0 | 0 | 112.3 | R18 M19 L25 W143 W144 | R18-E21 WeakPolarHBondContact O-CB 3.22Å; R18-E21 PolarHBondContact O-N 2.89Å; M19-E21 VanDerWaalsContact C-N 3.28Å; E21-L25 HydrophobicContact CB-CD2 4.42Å; E21-W143 HydrophobicContact CG-CE3 4.32Å; E21-W143 CarbonylContact O-C 3.53Å; E21-W143 VanDerWaalsContact O-CA 3.31Å; E21-W143 WeakPolarHBondContact O-CA 3.43Å; E21-W143 WeakPolarHBondContact OE1-CZ3 3.44Å; E21-W143 WeakPolarHBondContact OE2-CZ3 3.38Å; E21-W144 HydrophobicContact CB-CH2 4.42Å; E21-W144 HydrophobicContact CB-CZ2 4.1Å; E21-W144 HydrophobicContact CG-CZ2 4.05Å; E21-W144 PolarHBondContact O-N 3.21Å |
| 22 | N | 95 | Very high | 92.8 | Very high | 26 Ų | 26 | 45.4 Ų | 45.4 | 14% | 0.139 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -147.2 | 158.7 | 171 | 68.5 | 64 | 0 | 0 | 0 | 111.8 | N20 Q24 L25 L26 L139 W143 A146 | N20-N22 VanDerWaalsContact C-N 3.33Å; N20-N22 PolarHBondContact O-N 3.28Å; N22-Q24 VanDerWaalsContact C-N 3.28Å; N22-Q24 PolarHBondContact O-N 2.78Å; N22-Q24 WeakPolarHBondContact OD1-CA 3.44Å; N22-Q24 VanDerWaalsContact OD1-CB 3.29Å; N22-Q24 WeakPolarHBondContact OD1-CB 3.41Å; N22-Q24 PolarHBondContact OD1-N 2.91Å; N22-Q24 VanDerWaalsContact OD1-N 3.09Å; N22-Q24 PolarHBondContact OD1-OE1 3.1Å; N22-L25 PolarHBondContact O-N 3.28Å; N22-L25 WeakPolarHBondContact OD1-CB 3.3Å; N22-L25 PolarHBondContact OD1-N 3.07Å; N22-L26 PolarHBondContact O-N 3.34Å; N22-L26 VanDerWaalsContact O-N 3.08Å; N22-L139 HydrophobicContact CB-CD1 4.25Å; N22-W143 HydrophobicContact CB-CE3 4.01Å; N22-W143 HydrophobicContact CB-CZ3 3.88Å; N22-A146 VanDerWaalsContact C-CB 3.4Å; N22-A146 WeakPolarHBondContact O-CB 3.49Å |
| 23 | P | 95.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -53.9 | -37.5 | -180 | -27.8 | 33.7 | 0 | 0 | 0 | 115.1 | L26 S27 L137 T142 E149 L150 F158 | P23-L26 PolarHBondContact O-N 3.5Å; P23-S27 WeakPolarHBondContact O-CB 3.41Å; P23-S27 PolarHBondContact O-N 2.93Å; P23-S27 PolarHBondContact O-OG 3.34Å; P23-L137 HydrophobicContact CG-CD2 4.37Å; P23-T142 HydrophobicContact CG-CG2 4.35Å; P23-E149 HydrophobicContact CB-CB 4.42Å; P23-E149 HydrophobicContact CG-CB 3.86Å; P23-E149 HydrophobicContact CG-CG 4.16Å; P23-L150 HydrophobicContact CB-CD1 3.57Å; P23-L150 VanDerWaalsContact O-CD1 3.31Å; P23-L150 WeakPolarHBondContact O-CD1 3.49Å; P23-F158 HydrophobicContact CB-CD1 4.01Å; P23-F158 HydrophobicContact CB-CE1 3.43Å; P23-F158 VanDerWaalsContact CB-CE1 3.43Å; P23-F158 HydrophobicContact CB-CE2 4.21Å; P23-F158 HydrophobicContact CB-CZ 3.56Å; P23-F158 HydrophobicContact CG-CE1 4.17Å; P23-F158 HydrophobicContact CG-CZ 4.18Å |
| 24 | Q | 95.3 | Very high | 94.6 | Very high | 25 Ų | 25 | 46.8 Ų | 46.8 | 12% | 0.117 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -67.4 | -47.5 | -175.7 | -60.5 | 83 | -12.4 | 0 | 0 | 110.3 | N22 S27 F28 T118 M162 | N22-Q24 VanDerWaalsContact C-N 3.28Å; N22-Q24 PolarHBondContact O-N 2.78Å; N22-Q24 WeakPolarHBondContact OD1-CA 3.44Å; N22-Q24 VanDerWaalsContact OD1-CB 3.29Å; N22-Q24 WeakPolarHBondContact OD1-CB 3.41Å; N22-Q24 PolarHBondContact OD1-N 2.91Å; N22-Q24 VanDerWaalsContact OD1-N 3.09Å; N22-Q24 PolarHBondContact OD1-OE1 3.1Å; Q24-S27 WeakPolarHBondContact O-CB 3.32Å; Q24-S27 PolarHBondContact O-N 3.01Å; Q24-F28 PolarHBondContact O-N 3.19Å; Q24-F28 VanDerWaalsContact O-N 3.08Å; Q24-T118 HydrophobicContact CG-CG2 4.31Å; Q24-T118 PolarHBondContact NE2-OG1 2.63Å; Q24-M162 HydrophobicContact CB-CE 4.32Å; Q24-M162 HydrophobicContact CB-SD 3.44Å; Q24-M162 WeakPolarHBondContact CB-SD 3.5Å; Q24-M162 HydrophobicContact CG-CG 4.2Å; Q24-M162 HydrophobicContact CG-SD 3.53Å; Q24-M162 VanDerWaalsContact CG-SD 3.53Å |
| 25 | L | 95.8 | Very high | 94.9 | Very high | 54 Ų | 54 | 44.9 Ų | 44.9 | 28% | 0.283 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -64.7 | -41.7 | 176.5 | -177.7 | 60.6 | 0 | 0 | 0 | 111.4 | R18 M19 E21 N22 S27 F28 G29 | R18-L25 WeakPolarHBondContact O-CD2 3.47Å; M19-L25 HydrophobicContact CE-CD1 4.07Å; M19-L25 HydrophobicContact SD-CD1 3.79Å; M19-L25 HydrophobicContact SD-CD2 4.49Å; M19-L25 HydrophobicContact SD-CG 3.89Å; E21-L25 HydrophobicContact CB-CD2 4.42Å; N22-L25 PolarHBondContact O-N 3.28Å; N22-L25 WeakPolarHBondContact OD1-CB 3.3Å; N22-L25 PolarHBondContact OD1-N 3.07Å; L25-S27 VanDerWaalsContact C-N 3.33Å; L25-S27 PolarHBondContact O-N 3.31Å; L25-F28 PolarHBondContact O-N 3.04Å; L25-G29 PolarHBondContact O-N 2.78Å |
| 26 | L | 96.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63 | -42.6 | 175.7 | -179.2 | 57.5 | 0 | 0 | 0 | 111.2 | L14 M19 N22 P23 F28 G29 L30 A146 Q147 L150 | L14-L26 HydrophobicContact CD1-CD1 3.82Å; M19-L26 VanDerWaalsContact O-CA 3.27Å; M19-L26 WeakPolarHBondContact O-CA 3Å; M19-L26 WeakPolarHBondContact O-CB 3.35Å; M19-L26 PolarHBondContact O-N 3Å; N22-L26 PolarHBondContact O-N 3.34Å; N22-L26 VanDerWaalsContact O-N 3.08Å; P23-L26 PolarHBondContact O-N 3.5Å; L26-F28 VanDerWaalsContact C-N 3.32Å; L26-F28 PolarHBondContact O-N 2.82Å; L26-G29 PolarHBondContact O-N 2.94Å; L26-G29 VanDerWaalsContact O-N 3.16Å; L26-L30 HydrophobicContact CD1-CD1 4.38Å; L26-L30 HydrophobicContact CD1-CG 4.13Å; L26-L30 HydrophobicContact CG-CD1 4.17Å; L26-L30 HydrophobicContact CG-CG 4.36Å; L26-L30 WeakPolarHBondContact O-CG 3.47Å; L26-L30 PolarHBondContact O-N 2.89Å; L26-A146 HydrophobicContact CB-CB 3.85Å; L26-A146 HydrophobicContact CD2-CB 3.66Å; L26-A146 HydrophobicContact CG-CB 4.4Å; L26-Q147 HydrophobicContact CD2-CB 4.37Å; L26-L150 HydrophobicContact CB-CD1 4.48Å; L26-L150 HydrophobicContact CB-CD2 4.41Å; L26-L150 HydrophobicContact CD2-CD1 4.32Å; L26-L150 HydrophobicContact CD2-CD2 3.99Å; L26-L150 HydrophobicContact CG-CD2 3.9Å |
| 27 | S | 96.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -57.3 | -46.1 | 176.6 | -61.2 | 0 | 0 | 0 | 0 | 111.1 | P23 Q24 L25 G29 L30 M31 | P23-S27 WeakPolarHBondContact O-CB 3.41Å; P23-S27 PolarHBondContact O-N 2.93Å; P23-S27 PolarHBondContact O-OG 3.34Å; Q24-S27 WeakPolarHBondContact O-CB 3.32Å; Q24-S27 PolarHBondContact O-N 3.01Å; L25-S27 VanDerWaalsContact C-N 3.33Å; L25-S27 PolarHBondContact O-N 3.31Å; S27-G29 PolarHBondContact O-N 3Å; S27-L30 PolarHBondContact O-N 2.71Å; S27-M31 WeakPolarHBondContact O-CG 3.47Å; S27-M31 PolarHBondContact O-N 3.09Å |
| 28 | F | 95.5 | Very high | 95.9 | Very high | 69 Ų | 69 | 41.2 Ų | 41.2 | 30% | 0.303 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -62.4 | -43.4 | 175.4 | -175.3 | -107.9 | 0 | 0 | 0 | 112.4 | Q24 L25 L26 L30 M31 L32 L67 L327 | Q24-F28 PolarHBondContact O-N 3.19Å; Q24-F28 VanDerWaalsContact O-N 3.08Å; L25-F28 PolarHBondContact O-N 3.04Å; L26-F28 VanDerWaalsContact C-N 3.32Å; L26-F28 PolarHBondContact O-N 2.82Å; F28-L30 VanDerWaalsContact C-N 3.34Å; F28-L30 PolarHBondContact O-N 3.12Å; F28-M31 HydrophobicContact CD2-CE 4.43Å; F28-M31 WeakPolarHBondContact O-CB 3.48Å; F28-M31 PolarHBondContact O-N 2.78Å; F28-L32 HydrophobicContact CD1-CD1 4.2Å; F28-L32 HydrophobicContact CE1-CD1 3.71Å; F28-L32 HydrophobicContact CE1-CG 4.27Å; F28-L32 HydrophobicContact CZ-CD1 4.15Å; F28-L32 HydrophobicContact CZ-CD2 4.31Å; F28-L32 HydrophobicContact CZ-CG 4.37Å; F28-L32 WeakPolarHBondContact O-CG 3.39Å; F28-L32 PolarHBondContact O-N 2.93Å; F28-L32 VanDerWaalsContact O-N 3.1Å; F28-L67 HydrophobicContact CZ-CD1 4.02Å; F28-L327 HydrophobicContact CE2-CD1 4.18Å |
| 29 | G | 95.9 | Very high | 96.2 | Very high | 6 Ų | 6 | 34 Ų | 34 | 6% | 0.062 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.2 | -41.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | L25 L26 S27 L32 F33 | L25-G29 PolarHBondContact O-N 2.78Å; L26-G29 PolarHBondContact O-N 2.94Å; L26-G29 VanDerWaalsContact O-N 3.16Å; S27-G29 PolarHBondContact O-N 3Å; G29-L32 PolarHBondContact O-N 3.13Å; G29-F33 PolarHBondContact O-N 2.82Å |
| 30 | L | 96 | Very high | 96.4 | Very high | 34 Ų | 34 | 33 Ų | 33 | 18% | 0.178 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -69.2 | -35.8 | 176.3 | -68.8 | 177.8 | 0 | 0 | 0 | 112.5 | L26 S27 F28 L32 F33 R34 L150 M155 | L26-L30 HydrophobicContact CD1-CD1 4.38Å; L26-L30 HydrophobicContact CD1-CG 4.13Å; L26-L30 HydrophobicContact CG-CD1 4.17Å; L26-L30 HydrophobicContact CG-CG 4.36Å; L26-L30 WeakPolarHBondContact O-CG 3.47Å; L26-L30 PolarHBondContact O-N 2.89Å; S27-L30 PolarHBondContact O-N 2.71Å; F28-L30 VanDerWaalsContact C-N 3.34Å; F28-L30 PolarHBondContact O-N 3.12Å; L30-L32 VanDerWaalsContact C-N 3.34Å; L30-F33 WeakPolarHBondContact O-CB 3.21Å; L30-F33 PolarHBondContact O-N 3.24Å; L30-R34 WeakPolarHBondContact O-CG 3.39Å; L30-R34 PolarHBondContact O-N 3.15Å; L30-L150 HydrophobicContact CD1-CD2 3.52Å; L30-M155 HydrophobicContact CB-SD 3.76Å; L30-M155 HydrophobicContact CD1-SD 4.48Å |
| 31 | M | 96.3 | Very high | 96.6 | Very high | 6 Ų | 6 | 37.9 Ų | 37.9 | 3% | 0.03 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.8 | -46 | 171.1 | -71.4 | 165.2 | 51.4 | 0 | 0 | 111.2 | S27 F28 F33 R34 W35 M155 I159 L327 L330 I331 T334 | S27-M31 WeakPolarHBondContact O-CG 3.47Å; S27-M31 PolarHBondContact O-N 3.09Å; F28-M31 HydrophobicContact CD2-CE 4.43Å; F28-M31 WeakPolarHBondContact O-CB 3.48Å; F28-M31 PolarHBondContact O-N 2.78Å; M31-F33 PolarHBondContact O-N 3.44Å; M31-R34 PolarHBondContact O-N 2.58Å; M31-W35 WeakPolarHBondContact O-CB 3.22Å; M31-W35 PolarHBondContact O-N 3.45Å; M31-M155 HydrophobicContact CG-CE 4.25Å; M31-M155 HydrophobicContact CG-SD 4.21Å; M31-I159 HydrophobicContact CG-CD1 3.68Å; M31-I159 HydrophobicContact SD-CD1 3.31Å; M31-I159 WeakPolarHBondContact SD-CD1 3.35Å; M31-I159 HydrophobicContact SD-CG1 3.76Å; M31-L327 HydrophobicContact CE-CD1 4.16Å; M31-L330 HydrophobicContact CB-CD2 3.93Å; M31-L330 HydrophobicContact CE-CD2 3.36Å; M31-I331 HydrophobicContact CE-CB 4.48Å; M31-I331 HydrophobicContact CE-CD1 4.4Å; M31-I331 HydrophobicContact CE-CG1 3.41Å; M31-I331 VanDerWaalsContact CE-CG1 3.41Å; M31-I331 HydrophobicContact SD-CG1 4.45Å; M31-T334 WeakPolarHBondContact O-CG2 3.42Å |
| 32 | L | 97 | Very high | 96.7 | Very high | 28 Ų | 28 | 39.1 Ų | 39.1 | 15% | 0.147 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.6 | -41.4 | 177 | -63.6 | -178.2 | 0 | 0 | 0 | 111.9 | F28 G29 L30 W35 H36 L63 L67 L330 | F28-L32 HydrophobicContact CD1-CD1 4.2Å; F28-L32 HydrophobicContact CE1-CD1 3.71Å; F28-L32 HydrophobicContact CE1-CG 4.27Å; F28-L32 HydrophobicContact CZ-CD1 4.15Å; F28-L32 HydrophobicContact CZ-CD2 4.31Å; F28-L32 HydrophobicContact CZ-CG 4.37Å; F28-L32 WeakPolarHBondContact O-CG 3.39Å; F28-L32 PolarHBondContact O-N 2.93Å; F28-L32 VanDerWaalsContact O-N 3.1Å; G29-L32 PolarHBondContact O-N 3.13Å; L30-L32 VanDerWaalsContact C-N 3.34Å; L32-W35 WeakPolarHBondContact O-CB 3.38Å; L32-W35 PolarHBondContact O-N 3.46Å; L32-H36 PolarHBondContact O-N 3.22Å; L32-L63 HydrophobicContact CB-CD1 4.39Å; L32-L63 WeakPolarHBondContact O-CD1 3.35Å; L32-L67 HydrophobicContact CD1-CD1 4.39Å; L32-L67 HydrophobicContact CD1-CD2 4.2Å; L32-L67 HydrophobicContact CD2-CD1 4.2Å; L32-L330 HydrophobicContact CD2-CD1 4.03Å |
| 33 | F | 97 | Very high | 96.8 | Very high | 108 Ų | 108 | 38.1 Ų | 38.1 | 47% | 0.474 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -58.2 | -48 | 173.2 | 167.5 | -99.4 | 0 | 0 | 0 | 111.9 | L14 G29 L30 M31 W35 H36 N37 | L14-F33 HydrophobicContact CD2-CB 4.38Å; G29-F33 PolarHBondContact O-N 2.82Å; L30-F33 WeakPolarHBondContact O-CB 3.21Å; L30-F33 PolarHBondContact O-N 3.24Å; M31-F33 PolarHBondContact O-N 3.44Å; F33-W35 VanDerWaalsContact C-N 3.31Å; F33-W35 PolarHBondContact O-N 2.72Å; F33-H36 WeakPolarHBondContact O-CB 3.46Å; F33-H36 PolarHBondContact O-N 3.4Å; F33-N37 WeakPolarHBondContact CE1-ND2 3.38Å; F33-N37 WeakPolarHBondContact CZ-ND2 3.21Å; F33-N37 PolarHBondContact O-N 3.22Å |
| 34 | R | 97.9 | Very high | 96.9 | Very high | 94 Ų | 94 | 40.5 Ų | 40.5 | 36% | 0.355 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -64.1 | -35.5 | 176.7 | -72.5 | -177.9 | -179.8 | -174.8 | 1.9 | 112.1 | L30 M31 H36 N37 W38 M155 T334 | L30-R34 WeakPolarHBondContact O-CG 3.39Å; L30-R34 PolarHBondContact O-N 3.15Å; M31-R34 PolarHBondContact O-N 2.58Å; R34-H36 PolarHBondContact O-N 2.9Å; R34-N37 PolarHBondContact O-N 3.46Å; R34-W38 WeakPolarHBondContact O-CB 3.29Å; R34-W38 PolarHBondContact O-N 3.32Å; R34-M155 VanDerWaalsContact NH1-CE 3.25Å; R34-T334 HydrophobicContact CB-CG2 4.02Å; R34-T334 WeakPolarHBondContact CD-O 3.32Å; R34-T334 PolarHBondContact NH1-O 3.39Å |
| 35 | W | 97.9 | Very high | 97 | Very high | 1 Ų | 1 | 44 Ų | 44 | 0% | 0.004 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.2 | -43 | 175 | -176.5 | -106.4 | 0 | 0 | 0 | 112.1 | M31 L32 F33 N37 W38 Q39 T66 I325 L330 R333 T334 | M31-W35 WeakPolarHBondContact O-CB 3.22Å; M31-W35 PolarHBondContact O-N 3.45Å; L32-W35 WeakPolarHBondContact O-CB 3.38Å; L32-W35 PolarHBondContact O-N 3.46Å; F33-W35 VanDerWaalsContact C-N 3.31Å; F33-W35 PolarHBondContact O-N 2.72Å; W35-N37 VanDerWaalsContact C-N 3.35Å; W35-N37 PolarHBondContact O-N 3.01Å; W35-W38 HydrophobicContact CE3-CE3 4.33Å; W35-W38 HydrophobicContact CH2-CE3 4.26Å; W35-W38 HydrophobicContact CH2-CZ3 4.13Å; W35-W38 HydrophobicContact CZ2-CZ3 4.44Å; W35-W38 HydrophobicContact CZ3-CE3 4.19Å; W35-W38 HydrophobicContact CZ3-CZ3 4.44Å; W35-W38 PolarHBondContact O-N 2.89Å; W35-Q39 WeakPolarHBondContact O-CG 3.41Å; W35-Q39 PolarHBondContact O-N 3.31Å; W35-T66 HydrophobicContact CZ2-CG2 3.9Å; W35-T66 PolarHBondContact NE1-OG1 3.41Å; W35-I325 HydrophobicContact CH2-CD1 4.35Å; W35-I325 HydrophobicContact CH2-CG2 3.98Å; W35-I325 HydrophobicContact CZ2-CD1 4.03Å; W35-I325 HydrophobicContact CZ2-CG2 4.15Å; W35-L330 HydrophobicContact CD2-CD1 4.3Å; W35-L330 HydrophobicContact CD2-CG 4.18Å; W35-L330 HydrophobicContact CE3-CB 4.39Å; W35-L330 HydrophobicContact CE3-CG 3.93Å; W35-L330 HydrophobicContact CG-CD1 4.3Å; W35-L330 HydrophobicContact CG-CG 4.43Å; W35-L330 HydrophobicContact CZ3-CB 4.38Å; W35-L330 HydrophobicContact CZ3-CG 4.41Å; W35-R333 HydrophobicContact CE3-CB 4.27Å; W35-R333 HydrophobicContact CZ3-CB 3.81Å; W35-R333 HydrophobicContact CZ3-CG 4.21Å; W35-T334 HydrophobicContact CB-CG2 3.85Å; W35-T334 HydrophobicContact CE3-CG2 3.9Å |
| 36 | H | 98.3 | Very high | 97 | Very high | 28 Ų | 28 | 46.4 Ų | 46.4 | 13% | 0.13 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -56.9 | -49.7 | 174.7 | -177.1 | 84.6 | 0 | 0 | 0 | 111.4 | L32 F33 R34 W38 Q39 A40 F56 R60 L63 | L32-H36 PolarHBondContact O-N 3.22Å; F33-H36 WeakPolarHBondContact O-CB 3.46Å; F33-H36 PolarHBondContact O-N 3.4Å; R34-H36 PolarHBondContact O-N 2.9Å; H36-W38 VanDerWaalsContact C-N 3.33Å; H36-W38 PolarHBondContact O-N 3.3Å; H36-Q39 PolarHBondContact O-N 3.5Å; H36-A40 PolarHBondContact O-N 3.14Å; H36-F56 AromaticContact CE1-CD2 3.71Å; H36-F56 AromaticContact CE1-CE2 3.85Å; H36-F56 PolarHBondContact CE1-O 2.92Å; H36-F56 AromaticContact NE2-CD2 3.39Å; H36-F56 WeakPolarHBondContact NE2-CD2 3.39Å; H36-F56 AromaticContact NE2-CE2 3.73Å; H36-R60 PolarHBondContact CE1-N 2.86Å; H36-R60 PolarHBondContact ND1-N 3.13Å; H36-L63 HydrophobicContact CB-CD1 3.7Å |
| 37 | N | 97.8 | Very high | 97 | Very high | 62 Ų | 62 | 49.7 Ų | 49.7 | 33% | 0.332 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -66.2 | -36.8 | -179.1 | -65.7 | -14.8 | 0 | 0 | 0 | 111.9 | F33 R34 W35 A40 N41 | F33-N37 WeakPolarHBondContact CE1-ND2 3.38Å; F33-N37 WeakPolarHBondContact CZ-ND2 3.21Å; F33-N37 PolarHBondContact O-N 3.22Å; R34-N37 PolarHBondContact O-N 3.46Å; W35-N37 VanDerWaalsContact C-N 3.35Å; W35-N37 PolarHBondContact O-N 3.01Å; N37-A40 PolarHBondContact O-N 3.45Å; N37-N41 PolarHBondContact O-N 3.21Å |
| 38 | W | 97.9 | Very high | 96.9 | Very high | 72 Ų | 72 | 54.9 Ų | 54.9 | 27% | 0.273 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.9 | -44.7 | 173.7 | -177.5 | 84.5 | 0 | 0 | 0 | 111.6 | R34 W35 H36 A40 N41 R42 R333 | R34-W38 WeakPolarHBondContact O-CB 3.29Å; R34-W38 PolarHBondContact O-N 3.32Å; W35-W38 HydrophobicContact CE3-CE3 4.33Å; W35-W38 HydrophobicContact CH2-CE3 4.26Å; W35-W38 HydrophobicContact CH2-CZ3 4.13Å; W35-W38 HydrophobicContact CZ2-CZ3 4.44Å; W35-W38 HydrophobicContact CZ3-CE3 4.19Å; W35-W38 HydrophobicContact CZ3-CZ3 4.44Å; W35-W38 PolarHBondContact O-N 2.89Å; H36-W38 VanDerWaalsContact C-N 3.33Å; H36-W38 PolarHBondContact O-N 3.3Å; W38-A40 VanDerWaalsContact C-N 3.35Å; W38-A40 PolarHBondContact O-N 2.95Å; W38-N41 PolarHBondContact O-N 3.43Å; W38-R42 WeakPolarHBondContact O-CB 3.48Å; W38-R42 PolarHBondContact O-N 3.03Å; W38-R333 VanDerWaalsContact CH2-NH1 3.29Å |
| 39 | Q | 97.6 | Very high | 97 | Very high | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.2 | -40.2 | 174.3 | -67.2 | -68.5 | -7.2 | 0 | 0 | 111.8 | W35 H36 N41 R42 L43 | W35-Q39 WeakPolarHBondContact O-CG 3.41Å; W35-Q39 PolarHBondContact O-N 3.31Å; H36-Q39 PolarHBondContact O-N 3.5Å; Q39-N41 PolarHBondContact O-N 3.03Å; Q39-R42 PolarHBondContact O-N 2.91Å; Q39-R42 VanDerWaalsContact OE1-NH1 3.13Å; Q39-L43 WeakPolarHBondContact O-CB 3.17Å; Q39-L43 VanDerWaalsContact O-CG 3.23Å; Q39-L43 WeakPolarHBondContact O-CG 3.34Å; Q39-L43 PolarHBondContact O-N 3.5Å |
| 40 | A | 97.9 | Very high | 96.9 | Very high | 22 Ų | 22 | 59.3 Ų | 59.3 | 18% | 0.182 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.1 | -45.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | H36 N37 W38 L43 S44 S59 | H36-A40 PolarHBondContact O-N 3.14Å; N37-A40 PolarHBondContact O-N 3.45Å; W38-A40 VanDerWaalsContact C-N 3.35Å; W38-A40 PolarHBondContact O-N 2.95Å; A40-L43 PolarHBondContact O-N 3.49Å; A40-S44 WeakPolarHBondContact O-CB 3.5Å; A40-S44 PolarHBondContact O-N 3.2Å; A40-S59 WeakPolarHBondContact CA-OG 3.03Å; A40-S59 WeakPolarHBondContact CB-OG 3.22Å; A40-S59 PolarHBondContact N-OG 3.46Å; A40-S59 VanDerWaalsContact N-OG 3.13Å |
| 41 | N | 97.6 | Very high | 96.9 | Very high | 115 Ų | 115 | 61.1 Ų | 61.1 | 62% | 0.615 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -64.1 | -43.3 | 176.5 | -71.5 | -20 | 0 | 0 | 0 | 112.4 | N37 W38 Q39 S45 | N37-N41 PolarHBondContact O-N 3.21Å; W38-N41 PolarHBondContact O-N 3.43Å; Q39-N41 PolarHBondContact O-N 3.03Å; N41-S45 PolarHBondContact O-N 3.44Å; N41-S45 PolarHBondContact O-OG 3.25Å |
| 42 | R | 96.6 | Very high | 96.9 | Very high | 70 Ų | 70 | 67 Ų | 67 | 26% | 0.264 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -59 | -49.5 | 174.8 | 174.1 | -174.5 | 169.4 | -133.2 | 2.9 | 111.2 | W38 Q39 S45 L46 E321 | W38-R42 WeakPolarHBondContact O-CB 3.48Å; W38-R42 PolarHBondContact O-N 3.03Å; Q39-R42 PolarHBondContact O-N 2.91Å; Q39-R42 VanDerWaalsContact OE1-NH1 3.13Å; R42-S45 PolarHBondContact O-N 3.17Å; R42-L46 HydrophobicContact CG-CD1 4.16Å; R42-L46 WeakPolarHBondContact O-CG 3.36Å; R42-L46 PolarHBondContact O-N 3.36Å; R42-L46 VanDerWaalsContact O-N 3.15Å; R42-E321 IonicContact NH2-OE2 3.12Å |
| 43 | L | 96.6 | Very high | 96.8 | Very high | 5 Ų | 5 | 70.4 Ų | 70.4 | 3% | 0.026 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -68.5 | -38.1 | -177.5 | -70.7 | 166.7 | 0 | 0 | 0 | 111.9 | Q39 A40 S45 L46 H47 W50 L55 R58 Y62 | Q39-L43 WeakPolarHBondContact O-CB 3.17Å; Q39-L43 VanDerWaalsContact O-CG 3.23Å; Q39-L43 WeakPolarHBondContact O-CG 3.34Å; Q39-L43 PolarHBondContact O-N 3.5Å; A40-L43 PolarHBondContact O-N 3.49Å; L43-S45 VanDerWaalsContact C-N 3.3Å; L43-S45 PolarHBondContact O-N 3.4Å; L43-L46 PolarHBondContact O-N 3.43Å; L43-H47 WeakPolarHBondContact O-CB 3.23Å; L43-H47 PolarHBondContact O-N 3.02Å; L43-W50 HydrophobicContact CB-CZ3 4.41Å; L43-W50 HydrophobicContact CD2-CZ3 4.21Å; L43-L55 HydrophobicContact CB-CD2 3.85Å; L43-R58 HydrophobicContact CD1-CB 3.87Å; L43-R58 HydrophobicContact CD1-CG 3.61Å; L43-R58 HydrophobicContact CD2-CG 4.12Å; L43-Y62 HydrophobicContact CD1-CD2 4.14Å; L43-Y62 HydrophobicContact CD1-CE2 4.43Å; L43-Y62 HydrophobicContact CD2-CE2 4.11Å |
| 44 | S | 97.3 | Very high | 96.7 | Very high | 51 Ų | 51 | 68.3 Ų | 68.3 | 36% | 0.357 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.8 | -39.3 | 174.9 | -178.8 | 0 | 0 | 0 | 0 | 111.6 | A40 H47 P48 | A40-S44 WeakPolarHBondContact O-CB 3.5Å; A40-S44 PolarHBondContact O-N 3.2Å; S44-H47 CarbonylContact O-C 3.09Å; S44-H47 VanDerWaalsContact O-C 3.29Å; S44-H47 PolarHBondContact O-N 3.3Å; S44-P48 WeakPolarHBondContact O-CA 3.3Å |
| 45 | S | 97.5 | Very high | 96.6 | Very high | 99 Ų | 99 | 64.8 Ų | 64.8 | 69% | 0.692 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -67.8 | -35 | 176 | -60.5 | 0 | 0 | 0 | 0 | 112.9 | N41 R42 L43 | N41-S45 PolarHBondContact O-N 3.44Å; N41-S45 PolarHBondContact O-OG 3.25Å; R42-S45 PolarHBondContact O-N 3.17Å; L43-S45 VanDerWaalsContact C-N 3.3Å; L43-S45 PolarHBondContact O-N 3.4Å |
| 46 | L | 96.1 | Very high | 96.5 | Very high | 104 Ų | 104 | 69 Ų | 69 | 55% | 0.545 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -80 | -27.9 | 177.6 | -68.6 | 171.9 | 0 | 0 | 0 | 112.9 | R42 L43 | R42-L46 HydrophobicContact CG-CD1 4.16Å; R42-L46 WeakPolarHBondContact O-CG 3.36Å; R42-L46 PolarHBondContact O-N 3.36Å; R42-L46 VanDerWaalsContact O-N 3.15Å; L43-L46 PolarHBondContact O-N 3.43Å |
| 47 | H | 95.4 | Very high | 96.4 | Very high | 68 Ų | 68 | 70.8 Ų | 70.8 | 32% | 0.315 | 38% | 0.382 | S | S | . | . | trans | -137.1 | 73.8 | -176 | -57.8 | -65.4 | 0 | 0 | 0 | 111.6 | L43 S44 D49 W50 | L43-H47 WeakPolarHBondContact O-CB 3.23Å; L43-H47 PolarHBondContact O-N 3.02Å; S44-H47 CarbonylContact O-C 3.09Å; S44-H47 VanDerWaalsContact O-C 3.29Å; S44-H47 PolarHBondContact O-N 3.3Å; H47-D49 PolarHBondContact O-N 2.81Å; H47-D49 VanDerWaalsContact O-N 3.09Å; H47-W50 HydrophobicContact CB-CB 4.36Å; H47-W50 HydrophobicContact CB-CD2 3.51Å; H47-W50 VanDerWaalsContact CB-CE2 3.45Å; H47-W50 HydrophobicContact CB-CE3 4.11Å; H47-W50 HydrophobicContact CB-CG 3.63Å; H47-W50 HydrophobicContact CB-CZ2 4.03Å; H47-W50 AromaticContact CD2-CE2 3.7Å; H47-W50 AromaticContact CD2-CH2 3.38Å; H47-W50 WeakPolarHBondContact CD2-CH2 3.47Å; H47-W50 AromaticContact CD2-CZ2 3.29Å; H47-W50 WeakPolarHBondContact CD2-CZ2 3.4Å; H47-W50 AromaticContact CD2-CZ3 3.87Å; H47-W50 AromaticContact CE1-CZ2 3.99Å; H47-W50 AromaticContact CG-CD2 3.94Å; H47-W50 AromaticContact CG-CE2 3.41Å; H47-W50 VanDerWaalsContact CG-CE2 3.41Å; H47-W50 AromaticContact CG-CH2 3.99Å; H47-W50 AromaticContact CG-CZ2 3.47Å; H47-W50 VanDerWaalsContact CG-CZ2 3.47Å; H47-W50 AromaticContact CG-NE1 3.66Å; H47-W50 AromaticContact ND1-CE2 3.97Å; H47-W50 AromaticContact ND1-CZ2 3.9Å; H47-W50 AromaticContact ND1-NE1 3.94Å; H47-W50 AromaticContact NE2-CH2 3.82Å; H47-W50 AromaticContact NE2-CZ2 3.64Å; H47-W50 PolarHBondContact O-N 3.07Å; H47-W50 VanDerWaalsContact O-N 3.12Å | ||
| 48 | P | 95.6 | Very high | 96.3 | Very high | 109 Ų | 109 | 69.5 Ų | 69.5 | 71% | 0.708 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -17.2 | -177.3 | -23 | 34.9 | 0 | 0 | 0 | 114.4 | S44 | S44-P48 WeakPolarHBondContact O-CA 3.3Š|
| 49 | D | 96 | Very high | 96.2 | Very high | 126 Ų | 126 | 66 Ų | 66 | 67% | 0.674 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -8.8 | 179.4 | 63.8 | -62.4 | 0 | 0 | 0 | 113.8 | H47 | H47-D49 PolarHBondContact O-N 2.81Å; H47-D49 VanDerWaalsContact O-N 3.09Å |
| 50 | W | 95.1 | Very high | 96.2 | Very high | 43 Ų | 43 | 72 Ų | 72 | 16% | 0.163 | 38% | 0.382 | C | S | . | . | trans | -76.7 | 132.6 | -177.9 | -74.1 | 14.4 | 0 | 0 | 0 | 112.1 | L43 H47 K54 L55 R58 | L43-W50 HydrophobicContact CB-CZ3 4.41Å; L43-W50 HydrophobicContact CD2-CZ3 4.21Å; H47-W50 HydrophobicContact CB-CB 4.36Å; H47-W50 HydrophobicContact CB-CD2 3.51Å; H47-W50 VanDerWaalsContact CB-CE2 3.45Å; H47-W50 HydrophobicContact CB-CE3 4.11Å; H47-W50 HydrophobicContact CB-CG 3.63Å; H47-W50 HydrophobicContact CB-CZ2 4.03Å; H47-W50 AromaticContact CD2-CE2 3.7Å; H47-W50 AromaticContact CD2-CH2 3.38Å; H47-W50 WeakPolarHBondContact CD2-CH2 3.47Å; H47-W50 AromaticContact CD2-CZ2 3.29Å; H47-W50 WeakPolarHBondContact CD2-CZ2 3.4Å; H47-W50 AromaticContact CD2-CZ3 3.87Å; H47-W50 AromaticContact CE1-CZ2 3.99Å; H47-W50 AromaticContact CG-CD2 3.94Å; H47-W50 AromaticContact CG-CE2 3.41Å; H47-W50 VanDerWaalsContact CG-CE2 3.41Å; H47-W50 AromaticContact CG-CH2 3.99Å; H47-W50 AromaticContact CG-CZ2 3.47Å; H47-W50 VanDerWaalsContact CG-CZ2 3.47Å; H47-W50 AromaticContact CG-NE1 3.66Å; H47-W50 AromaticContact ND1-CE2 3.97Å; H47-W50 AromaticContact ND1-CZ2 3.9Å; H47-W50 AromaticContact ND1-NE1 3.94Å; H47-W50 AromaticContact NE2-CH2 3.82Å; H47-W50 AromaticContact NE2-CZ2 3.64Å; H47-W50 PolarHBondContact O-N 3.07Å; H47-W50 VanDerWaalsContact O-N 3.12Å; W50-K54 HydrophobicContact CB-CB 4.41Å; W50-K54 HydrophobicContact CB-CD 4.2Å; W50-K54 HydrophobicContact CB-CG 4.46Å; W50-K54 HydrophobicContact CD2-CD 3.74Å; W50-K54 HydrophobicContact CD2-CG 3.95Å; W50-K54 VanDerWaalsContact CE2-CE 3.46Å; W50-K54 HydrophobicContact CE3-CD 4.28Å; W50-K54 HydrophobicContact CE3-CG 3.98Å; W50-K54 HydrophobicContact CG-CD 3.67Å; W50-K54 HydrophobicContact CG-CG 4.17Å; W50-L55 HydrophobicContact CB-CD2 4.15Å; W50-L55 HydrophobicContact CB-CG 4.02Å; W50-L55 HydrophobicContact CE3-CD2 3.9Å; W50-R58 HydrophobicContact CH2-CG 4.14Å; W50-R58 HydrophobicContact CZ3-CB 3.88Å; W50-R58 HydrophobicContact CZ3-CG 3.79Å | ||
| 51 | S | 95.8 | Very high | 96.1 | Very high | 72 Ų | 72 | 73.1 Ų | 73.1 | 50% | 0.503 | 38% | 0.381 | S | S | . | . | trans | -62.3 | 154.4 | 168.9 | 62.3 | 0 | 0 | 0 | 0 | 111.9 | V53 K54 L55 | S51-V53 VanDerWaalsContact C-N 3.32Å; S51-V53 PolarHBondContact O-N 3.13Å; S51-K54 WeakPolarHBondContact O-CA 3.43Å; S51-K54 WeakPolarHBondContact O-CB 3.49Å; S51-K54 PolarHBondContact O-N 3.38Å; S51-K54 WeakPolarHBondContact OG-CB 3.27Å; S51-K54 PolarHBondContact OG-N 2.68Å; S51-L55 PolarHBondContact O-N 3.45Å | ||
| 52 | D | 96.4 | Very high | 96.1 | Very high | 129 Ų | 129 | 68 Ų | 68 | 69% | 0.69 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -47.9 | -48.5 | 174.2 | 179.5 | 70.6 | 0 | 0 | 0 | 113.4 | K54 L55 F56 | D52-K54 VanDerWaalsContact C-N 3.26Å; D52-K54 PolarHBondContact O-N 2.88Å; D52-L55 WeakPolarHBondContact O-CB 3.35Å; D52-L55 PolarHBondContact O-N 3.07Å; D52-F56 WeakPolarHBondContact O-CB 3.49Å; D52-F56 PolarHBondContact O-N 3.12Å |
| 53 | V | 95.6 | Very high | 96.2 | Very high | 99 Ų | 99 | 66.1 Ų | 66.1 | 60% | 0.6 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -56.1 | -41.2 | 178.1 | 176.7 | 0 | 0 | 0 | 0 | 112.1 | S51 E57 | S51-V53 VanDerWaalsContact C-N 3.32Å; S51-V53 PolarHBondContact O-N 3.13Å; V53-E57 WeakPolarHBondContact O-CB 3.49Å; V53-E57 WeakPolarHBondContact O-CG 3.34Å; V53-E57 PolarHBondContact O-N 3.03Å |
| 54 | K | 93.4 | Very high | 96.3 | Very high | 65 Ų | 65 | 68.8 Ų | 68.8 | 28% | 0.283 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -70.8 | -39.6 | 179.2 | -172.1 | 174.5 | -179.7 | -168.9 | 0 | 111.4 | W50 S51 D52 R58 | W50-K54 HydrophobicContact CB-CB 4.41Å; W50-K54 HydrophobicContact CB-CD 4.2Å; W50-K54 HydrophobicContact CB-CG 4.46Å; W50-K54 HydrophobicContact CD2-CD 3.74Å; W50-K54 HydrophobicContact CD2-CG 3.95Å; W50-K54 VanDerWaalsContact CE2-CE 3.46Å; W50-K54 HydrophobicContact CE3-CD 4.28Å; W50-K54 HydrophobicContact CE3-CG 3.98Å; W50-K54 HydrophobicContact CG-CD 3.67Å; W50-K54 HydrophobicContact CG-CG 4.17Å; S51-K54 WeakPolarHBondContact O-CA 3.43Å; S51-K54 WeakPolarHBondContact O-CB 3.49Å; S51-K54 PolarHBondContact O-N 3.38Å; S51-K54 WeakPolarHBondContact OG-CB 3.27Å; S51-K54 PolarHBondContact OG-N 2.68Å; D52-K54 VanDerWaalsContact C-N 3.26Å; D52-K54 PolarHBondContact O-N 2.88Å; K54-R58 WeakPolarHBondContact O-CB 3.42Å; K54-R58 PolarHBondContact O-N 3.09Å |
| 55 | L | 95.5 | Very high | 96.3 | Very high | 20 Ų | 20 | 66.4 Ų | 66.4 | 11% | 0.105 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.4 | -46.7 | 174.5 | -72.2 | 169 | 0 | 0 | 0 | 111.5 | L43 W50 S51 D52 R58 S59 | L43-L55 HydrophobicContact CB-CD2 3.85Å; W50-L55 HydrophobicContact CB-CD2 4.15Å; W50-L55 HydrophobicContact CB-CG 4.02Å; W50-L55 HydrophobicContact CE3-CD2 3.9Å; S51-L55 PolarHBondContact O-N 3.45Å; D52-L55 WeakPolarHBondContact O-CB 3.35Å; D52-L55 PolarHBondContact O-N 3.07Å; L55-R58 PolarHBondContact O-N 3.31Å; L55-S59 WeakPolarHBondContact O-CB 3.43Å; L55-S59 PolarHBondContact O-N 2.85Å; L55-S59 PolarHBondContact O-OG 3.28Å |
| 56 | F | 97.1 | Very high | 96.4 | Very high | 90 Ų | 90 | 61.7 Ų | 61.7 | 40% | 0.395 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -58.6 | -53.2 | 177 | 173.5 | -97.2 | 0 | 0 | 0 | 111.4 | H36 D52 R58 S59 R60 | H36-F56 AromaticContact CE1-CD2 3.71Å; H36-F56 AromaticContact CE1-CE2 3.85Å; H36-F56 PolarHBondContact CE1-O 2.92Å; H36-F56 AromaticContact NE2-CD2 3.39Å; H36-F56 WeakPolarHBondContact NE2-CD2 3.39Å; H36-F56 AromaticContact NE2-CE2 3.73Å; D52-F56 WeakPolarHBondContact O-CB 3.49Å; D52-F56 PolarHBondContact O-N 3.12Å; F56-R58 VanDerWaalsContact C-N 3.34Å; F56-R58 PolarHBondContact O-N 3.25Å; F56-S59 PolarHBondContact O-N 3.45Å; F56-R60 VanDerWaalsContact O-CB 3.28Å; F56-R60 WeakPolarHBondContact O-CB 3.12Å; F56-R60 PolarHBondContact O-N 3.36Å |
| 57 | E | 95.6 | Very high | 96.5 | Very high | 64 Ų | 64 | 58.7 Ų | 58.7 | 30% | 0.299 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.7 | -39.6 | -178.4 | -76.4 | -60.6 | 140.8 | 0 | 0 | 112.2 | V53 R61 | V53-E57 WeakPolarHBondContact O-CB 3.49Å; V53-E57 WeakPolarHBondContact O-CG 3.34Å; V53-E57 PolarHBondContact O-N 3.03Å; E57-R61 WeakPolarHBondContact O-CD 3.43Å; E57-R61 VanDerWaalsContact O-CG 3.22Å; E57-R61 WeakPolarHBondContact O-CG 3.44Å; E57-R61 PolarHBondContact O-N 3.34Å; E57-R61 VanDerWaalsContact O-N 3.13Å |
| 58 | R | 95.2 | Very high | 96.6 | Very high | 35 Ų | 35 | 57 Ų | 57 | 13% | 0.132 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -69.9 | -42.3 | 177.1 | -169.2 | 65.5 | 170.9 | -178.3 | -2.5 | 111.7 | L43 W50 K54 L55 F56 R61 Y62 L313 E318 | L43-R58 HydrophobicContact CD1-CB 3.87Å; L43-R58 HydrophobicContact CD1-CG 3.61Å; L43-R58 HydrophobicContact CD2-CG 4.12Å; W50-R58 HydrophobicContact CH2-CG 4.14Å; W50-R58 HydrophobicContact CZ3-CB 3.88Å; W50-R58 HydrophobicContact CZ3-CG 3.79Å; K54-R58 WeakPolarHBondContact O-CB 3.42Å; K54-R58 PolarHBondContact O-N 3.09Å; L55-R58 PolarHBondContact O-N 3.31Å; F56-R58 VanDerWaalsContact C-N 3.34Å; F56-R58 PolarHBondContact O-N 3.25Å; R58-R61 PolarHBondContact O-N 3.39Å; R58-Y62 HydrophobicContact CG-CD2 4.23Å; R58-Y62 HydrophobicContact CG-CE2 4.18Å; R58-Y62 WeakPolarHBondContact O-CD2 3.22Å; R58-Y62 PolarHBondContact O-N 3.36Å; R58-Y62 VanDerWaalsContact O-N 3.09Å; R58-L313 PolarHBondContact NH1-O 3.02Å; R58-E318 IonicContact CZ-OE1 3.49Å; R58-E318 IonicContact NH2-OE1 3.92Å; R58-E318 PolarHBondContact NH2-OE1 2.89Å; R58-E318 IonicContact NH2-OE2 2.71Å; R58-E318 PolarHBondContact NH2-OE2 3.28Å |
| 59 | S | 97.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.3 | -41.7 | 175.9 | -57.9 | 0 | 0 | 0 | 0 | 112 | A40 L55 F56 R61 Y62 L63 | A40-S59 WeakPolarHBondContact CA-OG 3.03Å; A40-S59 WeakPolarHBondContact CB-OG 3.22Å; A40-S59 PolarHBondContact N-OG 3.46Å; A40-S59 VanDerWaalsContact N-OG 3.13Å; L55-S59 WeakPolarHBondContact O-CB 3.43Å; L55-S59 PolarHBondContact O-N 2.85Å; L55-S59 PolarHBondContact O-OG 3.28Å; F56-S59 PolarHBondContact O-N 3.45Å; S59-R61 VanDerWaalsContact C-N 3.34Å; S59-R61 PolarHBondContact O-N 2.86Å; S59-Y62 PolarHBondContact O-N 2.72Å; S59-L63 PolarHBondContact O-N 3.44Å |
| 60 | R | 97.1 | Very high | 96.8 | Very high | 125 Ų | 125 | 46.3 Ų | 46.3 | 47% | 0.472 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -57.6 | -46.4 | 174 | 174.3 | -176.5 | 167.2 | 146.5 | 2 | 111.1 | H36 F56 L63 I64 | H36-R60 PolarHBondContact CE1-N 2.86Å; H36-R60 PolarHBondContact ND1-N 3.13Å; F56-R60 VanDerWaalsContact O-CB 3.28Å; F56-R60 WeakPolarHBondContact O-CB 3.12Å; F56-R60 PolarHBondContact O-N 3.36Å; R60-L63 PolarHBondContact O-N 3.28Å; R60-I64 HydrophobicContact CG-CD1 3.83Å; R60-I64 WeakPolarHBondContact O-CG1 3.45Å; R60-I64 PolarHBondContact O-N 2.93Å |
| 61 | R | 96 | Very high | 96.9 | Very high | 46 Ų | 46 | 47 Ų | 47 | 17% | 0.174 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.1 | -44.7 | 178.6 | -68.7 | 164.2 | -177.7 | -162.5 | 0.1 | 111.6 | E57 R58 S59 I64 A65 Y297 L313 F314 | E57-R61 WeakPolarHBondContact O-CD 3.43Å; E57-R61 VanDerWaalsContact O-CG 3.22Å; E57-R61 WeakPolarHBondContact O-CG 3.44Å; E57-R61 PolarHBondContact O-N 3.34Å; E57-R61 VanDerWaalsContact O-N 3.13Å; R58-R61 PolarHBondContact O-N 3.39Å; S59-R61 VanDerWaalsContact C-N 3.34Å; S59-R61 PolarHBondContact O-N 2.86Å; R61-I64 PolarHBondContact O-N 3.07Å; R61-A65 WeakPolarHBondContact O-CB 3.3Å; R61-A65 PolarHBondContact O-N 3.44Å; R61-Y297 PolarHBondContact NH1-OH 2.94Å; R61-L313 HydrophobicContact CB-CD1 4.45Å; R61-L313 HydrophobicContact CG-CD1 3.87Å; R61-F314 HydrophobicContact CB-CZ 3.97Å; R61-F314 WeakPolarHBondContact O-CZ 3.43Å |
| 62 | Y | 97.5 | Very high | 97.1 | Very high | 8 Ų | 8 | 43.8 Ų | 43.8 | 3% | 0.031 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.5 | -43.9 | 175.1 | -90.1 | -75.2 | 0 | 0 | 0 | 112.1 | L43 R58 S59 I64 A65 T66 F314 E318 I322 | L43-Y62 HydrophobicContact CD1-CD2 4.14Å; L43-Y62 HydrophobicContact CD1-CE2 4.43Å; L43-Y62 HydrophobicContact CD2-CE2 4.11Å; R58-Y62 HydrophobicContact CG-CD2 4.23Å; R58-Y62 HydrophobicContact CG-CE2 4.18Å; R58-Y62 WeakPolarHBondContact O-CD2 3.22Å; R58-Y62 PolarHBondContact O-N 3.36Å; R58-Y62 VanDerWaalsContact O-N 3.09Å; S59-Y62 PolarHBondContact O-N 2.72Å; Y62-I64 PolarHBondContact O-N 3.01Å; Y62-A65 PolarHBondContact O-N 3Å; Y62-T66 WeakPolarHBondContact O-CB 3.34Å; Y62-T66 PolarHBondContact O-N 3.01Å; Y62-T66 PolarHBondContact O-OG1 3.03Å; Y62-F314 HydrophobicContact CD1-CE1 4.05Å; Y62-F314 HydrophobicContact CD2-CE1 4.26Å; Y62-F314 HydrophobicContact CE1-CD1 4.46Å; Y62-F314 HydrophobicContact CE1-CE1 4.01Å; Y62-F314 HydrophobicContact CE2-CE1 4.23Å; Y62-F314 HydrophobicContact CG-CE1 4.18Å; Y62-E318 PolarHBondContact OH-OE1 3.07Å; Y62-I322 HydrophobicContact CD1-CD1 4.16Å; Y62-I322 HydrophobicContact CD1-CG1 4.2Å; Y62-I322 HydrophobicContact CE1-CD1 4.09Å; Y62-I322 HydrophobicContact CE1-CG1 4.18Å |
| 63 | L | 98.1 | Very high | 97.1 | Very high | 30 Ų | 30 | 39.4 Ų | 39.4 | 16% | 0.157 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.3 | -49.2 | 175.3 | 176.9 | 150.9 | 0 | 0 | 0 | 111.9 | L32 H36 S59 R60 A65 T66 L67 | L32-L63 HydrophobicContact CB-CD1 4.39Å; L32-L63 WeakPolarHBondContact O-CD1 3.35Å; H36-L63 HydrophobicContact CB-CD1 3.7Å; S59-L63 PolarHBondContact O-N 3.44Å; R60-L63 PolarHBondContact O-N 3.28Å; L63-A65 VanDerWaalsContact C-N 3.33Å; L63-A65 PolarHBondContact O-N 3.36Å; L63-T66 PolarHBondContact O-N 2.96Å; L63-L67 WeakPolarHBondContact O-CB 3.08Å; L63-L67 PolarHBondContact O-N 2.82Å |
| 64 | I | 98.2 | Very high | 97.2 | Very high | 62 Ų | 62 | 37.3 Ų | 37.3 | 32% | 0.318 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -60 | -46.2 | 179.9 | -69.7 | 168.3 | 0 | 0 | 0 | 110.1 | R60 R61 Y62 L67 Q68 | R60-I64 HydrophobicContact CG-CD1 3.83Å; R60-I64 WeakPolarHBondContact O-CG1 3.45Å; R60-I64 PolarHBondContact O-N 2.93Å; R61-I64 PolarHBondContact O-N 3.07Å; Y62-I64 PolarHBondContact O-N 3.01Å; I64-L67 PolarHBondContact O-N 3.39Å; I64-Q68 HydrophobicContact CG2-CG 4.3Å; I64-Q68 WeakPolarHBondContact O-CB 3.22Å; I64-Q68 VanDerWaalsContact O-CG 3.27Å; I64-Q68 WeakPolarHBondContact O-CG 3.23Å; I64-Q68 PolarHBondContact O-N 2.87Å |
| 65 | A | 98.2 | Very high | 97.4 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.008 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65.3 | -42.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | R61 Y62 L63 Q68 N69 F290 F314 I322 | R61-A65 WeakPolarHBondContact O-CB 3.3Å; R61-A65 PolarHBondContact O-N 3.44Å; Y62-A65 PolarHBondContact O-N 3Å; L63-A65 VanDerWaalsContact C-N 3.33Å; L63-A65 PolarHBondContact O-N 3.36Å; A65-Q68 PolarHBondContact O-N 3.33Å; A65-N69 WeakPolarHBondContact O-CB 3.36Å; A65-N69 PolarHBondContact O-N 2.89Å; A65-F290 HydrophobicContact CB-CB 3.45Å; A65-F290 VanDerWaalsContact CB-CB 3.45Å; A65-F290 HydrophobicContact CB-CD2 4.49Å; A65-F290 HydrophobicContact CB-CG 4Å; A65-F314 HydrophobicContact CB-CE2 3.58Å; A65-F314 HydrophobicContact CB-CZ 3.62Å; A65-I322 HydrophobicContact CB-CD1 3.84Å; A65-I322 HydrophobicContact CB-CG2 4.08Å |
| 66 | T | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.3 | -46.6 | 174.1 | -63.1 | 0 | 0 | 0 | 0 | 111 | W35 Y62 L63 N69 I70 I325 L330 | W35-T66 HydrophobicContact CZ2-CG2 3.9Å; W35-T66 PolarHBondContact NE1-OG1 3.41Å; Y62-T66 WeakPolarHBondContact O-CB 3.34Å; Y62-T66 PolarHBondContact O-N 3.01Å; Y62-T66 PolarHBondContact O-OG1 3.03Å; L63-T66 PolarHBondContact O-N 2.96Å; T66-N69 WeakPolarHBondContact O-CB 3.45Å; T66-N69 PolarHBondContact O-N 3.44Å; T66-I70 HydrophobicContact CG2-CD1 3.79Å; T66-I70 WeakPolarHBondContact O-CG1 3.4Å; T66-I70 PolarHBondContact O-N 3.48Å; T66-I325 HydrophobicContact CG2-CB 4.37Å; T66-I325 HydrophobicContact CG2-CG2 3.64Å; T66-L330 HydrophobicContact CG2-CD1 4.05Å |
| 67 | L | 98.2 | Very high | 97.5 | Very high | 41 Ų | 41 | 33.3 Ų | 33.3 | 22% | 0.215 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.7 | -43.6 | 179.3 | -176.2 | 61.6 | 0 | 0 | 0 | 111.6 | F28 L32 L63 I64 N69 I70 I71 | F28-L67 HydrophobicContact CZ-CD1 4.02Å; L32-L67 HydrophobicContact CD1-CD1 4.39Å; L32-L67 HydrophobicContact CD1-CD2 4.2Å; L32-L67 HydrophobicContact CD2-CD1 4.2Å; L63-L67 WeakPolarHBondContact O-CB 3.08Å; L63-L67 PolarHBondContact O-N 2.82Å; I64-L67 PolarHBondContact O-N 3.39Å; L67-N69 VanDerWaalsContact C-N 3.32Å; L67-N69 PolarHBondContact O-N 3.1Å; L67-I70 PolarHBondContact O-N 2.94Å; L67-I71 HydrophobicContact CD1-CD1 3.72Å; L67-I71 HydrophobicContact CD1-CG1 4.05Å; L67-I71 HydrophobicContact CD2-CD1 4.39Å; L67-I71 HydrophobicContact CG-CD1 3.7Å; L67-I71 HydrophobicContact CG-CG1 4.36Å; L67-I71 WeakPolarHBondContact O-CB 3.47Å; L67-I71 VanDerWaalsContact O-CG1 3.26Å; L67-I71 WeakPolarHBondContact O-CG1 3.42Å; L67-I71 PolarHBondContact O-N 3.43Å |
| 68 | Q | 98.2 | Very high | 97.5 | Very high | 33 Ų | 33 | 30.9 Ų | 30.9 | 15% | 0.154 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -57.4 | -43.9 | 173.9 | -80.3 | -179.2 | -15.4 | 0 | 0 | 111.8 | I64 A65 M72 D286 W289 F290 | I64-Q68 HydrophobicContact CG2-CG 4.3Å; I64-Q68 WeakPolarHBondContact O-CB 3.22Å; I64-Q68 VanDerWaalsContact O-CG 3.27Å; I64-Q68 WeakPolarHBondContact O-CG 3.23Å; I64-Q68 PolarHBondContact O-N 2.87Å; A65-Q68 PolarHBondContact O-N 3.33Å; Q68-M72 WeakPolarHBondContact O-CB 3.2Å; Q68-M72 PolarHBondContact O-N 3.41Å; Q68-D286 PolarHBondContact NE2-OD2 3.28Å; Q68-W289 HydrophobicContact CB-CE3 4.23Å; Q68-W289 HydrophobicContact CB-CH2 3.82Å; Q68-W289 HydrophobicContact CB-CZ3 3.53Å; Q68-W289 HydrophobicContact CG-CE3 4.07Å; Q68-W289 HydrophobicContact CG-CH2 4.4Å; Q68-W289 HydrophobicContact CG-CZ3 3.61Å; Q68-F290 HydrophobicContact CB-CD1 3.92Å; Q68-F290 HydrophobicContact CB-CE1 4.24Å |
| 69 | N | 98.3 | Very high | 97.5 | Very high | 4 Ų | 4 | 29.8 Ų | 29.8 | 2% | 0.021 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.2 | -53.8 | 177.2 | -177.9 | 67.1 | 0 | 0 | 0 | 111.8 | A65 T66 L67 I71 M72 Y73 F290 I322 R323 I325 | A65-N69 WeakPolarHBondContact O-CB 3.36Å; A65-N69 PolarHBondContact O-N 2.89Å; T66-N69 WeakPolarHBondContact O-CB 3.45Å; T66-N69 PolarHBondContact O-N 3.44Å; L67-N69 VanDerWaalsContact C-N 3.32Å; L67-N69 PolarHBondContact O-N 3.1Å; N69-I71 VanDerWaalsContact C-N 3.35Å; N69-I71 PolarHBondContact O-N 2.67Å; N69-M72 PolarHBondContact O-N 2.89Å; N69-Y73 WeakPolarHBondContact O-CB 3.42Å; N69-Y73 PolarHBondContact O-N 3.28Å; N69-Y73 WeakPolarHBondContact OD1-CD2 3.37Å; N69-F290 HydrophobicContact CB-CE1 4.08Å; N69-F290 HydrophobicContact CB-CZ 3.83Å; N69-I322 HydrophobicContact CB-CG2 4.14Å; N69-I322 PolarHBondContact ND2-O 3.17Å; N69-R323 WeakPolarHBondContact OD1-CD 3.15Å; N69-R323 PolarHBondContact OD1-NE 2.93Å; N69-I325 PolarHBondContact ND2-O 3.23Å |
| 70 | I | 98.3 | Very high | 97.5 | Very high | 6 Ų | 6 | 30 Ų | 30 | 3% | 0.031 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59.2 | -46.8 | -179.4 | -68 | 166.8 | 0 | 0 | 0 | 110.4 | T66 L67 E74 F75 L327 L330 F347 | T66-I70 HydrophobicContact CG2-CD1 3.79Å; T66-I70 WeakPolarHBondContact O-CG1 3.4Å; T66-I70 PolarHBondContact O-N 3.48Å; L67-I70 PolarHBondContact O-N 2.94Å; I70-E74 WeakPolarHBondContact O-CA 3.35Å; I70-E74 WeakPolarHBondContact O-CB 3.22Å; I70-E74 PolarHBondContact O-N 3.46Å; I70-F75 PolarHBondContact O-N 2.86Å; I70-L327 HydrophobicContact CD1-CB 4.37Å; I70-L327 HydrophobicContact CD1-CD1 4.44Å; I70-L327 HydrophobicContact CG2-CB 3.9Å; I70-L330 HydrophobicContact CD1-CB 4.31Å; I70-L330 HydrophobicContact CD1-CD1 3.86Å; I70-F347 HydrophobicContact CG2-CZ 4.12Å |
| 71 | I | 97.8 | Very high | 97.3 | Very high | 57 Ų | 57 | 28.5 Ų | 28.5 | 29% | 0.292 | 14% | 0.142 | S | C | . | . | I | π-helix | trans | -63.6 | -47.9 | -178.2 | -71.4 | 175.2 | 0 | 0 | 0 | 111.4 | L67 N69 F75 L76 F279 | L67-I71 HydrophobicContact CD1-CD1 3.72Å; L67-I71 HydrophobicContact CD1-CG1 4.05Å; L67-I71 HydrophobicContact CD2-CD1 4.39Å; L67-I71 HydrophobicContact CG-CD1 3.7Å; L67-I71 HydrophobicContact CG-CG1 4.36Å; L67-I71 WeakPolarHBondContact O-CB 3.47Å; L67-I71 VanDerWaalsContact O-CG1 3.26Å; L67-I71 WeakPolarHBondContact O-CG1 3.42Å; L67-I71 PolarHBondContact O-N 3.43Å; N69-I71 VanDerWaalsContact C-N 3.35Å; N69-I71 PolarHBondContact O-N 2.67Å; I71-F75 HydrophobicContact CG2-CD1 4.43Å; I71-L76 VanDerWaalsContact O-CB 3.29Å; I71-L76 WeakPolarHBondContact O-CB 3.4Å; I71-L76 PolarHBondContact O-N 2.81Å; I71-F279 HydrophobicContact CG2-CD1 4.23Å; I71-F279 HydrophobicContact CG2-CE1 3.47Å; I71-F279 VanDerWaalsContact CG2-CE1 3.47Å; I71-F279 HydrophobicContact CG2-CZ 4.25Å |
| 72 | M | 98 | Very high | 97.2 | Very high | 4 Ų | 4 | 29.6 Ų | 29.6 | 2% | 0.02 | 15% | 0.149 | C | C | . | . | I | π-helix | trans | -77.3 | -34.7 | -172.2 | -175.5 | 59 | 57.5 | 0 | 0 | 113.4 | Q68 N69 L76 P77 T84 F279 Y280 R283 W289 | Q68-M72 WeakPolarHBondContact O-CB 3.2Å; Q68-M72 PolarHBondContact O-N 3.41Å; N69-M72 PolarHBondContact O-N 2.89Å; M72-L76 HydrophobicContact SD-CD2 3.85Å; M72-P77 WeakPolarHBondContact O-CD 3.4Å; M72-T84 HydrophobicContact CG-CG2 4Å; M72-T84 WeakPolarHBondContact O-CB 3.39Å; M72-T84 PolarHBondContact O-OG1 3.36Å; M72-T84 HydrophobicContact SD-CG2 3.77Å; M72-F279 HydrophobicContact CE-CB 4.14Å; M72-F279 HydrophobicContact CE-CD1 4.09Å; M72-F279 WeakPolarHBondContact CE-O 3.11Å; M72-Y280 HydrophobicContact SD-CD1 4.48Å; M72-R283 HydrophobicContact CE-CB 3.73Å; M72-R283 HydrophobicContact CE-CG 4.12Å; M72-W289 HydrophobicContact CB-CH2 3.74Å; M72-W289 HydrophobicContact CB-CZ2 4.3Å; M72-W289 HydrophobicContact CE-CH2 4.19Å; M72-W289 HydrophobicContact CG-CH2 3.94Å; M72-W289 HydrophobicContact CG-CZ2 4.14Å |
| 73 | Y | 97.8 | Very high | 96.9 | Very high | 37 Ų | 37 | 34.9 Ų | 34.9 | 15% | 0.145 | 19% | 0.185 | C | C | . | . | I | π-helix | trans | -114.9 | -10.5 | -167.6 | -59.1 | -62.6 | 0 | 0 | 0 | 114.5 | N69 T84 W289 F290 E291 R323 | N69-Y73 WeakPolarHBondContact O-CB 3.42Å; N69-Y73 PolarHBondContact O-N 3.28Å; N69-Y73 WeakPolarHBondContact OD1-CD2 3.37Å; Y73-T84 HydrophobicContact CD1-CG2 3.99Å; Y73-T84 HydrophobicContact CE1-CG2 3.79Å; Y73-W289 AromaticContact CE2-CZ2 3.91Å; Y73-W289 HydrophobicContact CE2-CZ2 3.91Å; Y73-F290 HydrophobicContact CE2-CE1 4.22Å; Y73-F290 HydrophobicContact CE2-CZ 4.09Å; Y73-E291 PolarHBondContact OH-OE1 3.37Å; Y73-E291 PolarHBondContact OH-OE2 3.29Å; Y73-R323 VanDerWaalsContact CD2-NH1 3.3Å |
| 74 | E | 97.5 | Very high | 96.8 | Very high | 55 Ų | 55 | 34.5 Ų | 34.5 | 26% | 0.257 | 18% | 0.184 | S | C | . | . | I | π-helix | trans | -116.9 | -58.3 | 170.1 | -55.9 | -168 | 152 | 0 | 0 | 111.8 | I70 P77 A78 S326 L327 F347 | I70-E74 WeakPolarHBondContact O-CA 3.35Å; I70-E74 WeakPolarHBondContact O-CB 3.22Å; I70-E74 PolarHBondContact O-N 3.46Å; E74-P77 WeakPolarHBondContact O-CD 3.43Å; E74-A78 VanDerWaalsContact O-CB 3.28Å; E74-A78 WeakPolarHBondContact O-CB 3.25Å; E74-A78 PolarHBondContact O-N 3.49Å; E74-A78 VanDerWaalsContact O-N 3.08Å; E74-S326 WeakPolarHBondContact OE1-CA 3.48Å; E74-S326 WeakPolarHBondContact OE1-CB 3.36Å; E74-L327 PolarHBondContact OE2-N 3.28Å; E74-F347 HydrophobicContact CB-CD2 3.97Å; E74-F347 HydrophobicContact CB-CE2 3.4Å; E74-F347 HydrophobicContact CB-CZ 4.26Å; E74-F347 HydrophobicContact CG-CE2 4.48Å |
| 75 | F | 97.5 | Very high | 96.6 | Very high | 60 Ų | 60 | 37.7 Ų | 37.7 | 26% | 0.263 | 20% | 0.195 | S | C | . | . | I | π-helix | trans | -65.9 | -49.4 | -175.3 | 170.7 | -104.7 | 0 | 0 | 0 | 113 | I70 I71 A78 L79 F107 F347 | I70-F75 PolarHBondContact O-N 2.86Å; I71-F75 HydrophobicContact CG2-CD1 4.43Å; F75-A78 WeakPolarHBondContact O-CB 3.44Å; F75-A78 PolarHBondContact O-N 3.31Å; F75-A78 VanDerWaalsContact O-N 3.15Å; F75-L79 HydrophobicContact CE1-CD2 3.98Å; F75-L79 HydrophobicContact CZ-CB 4.42Å; F75-L79 HydrophobicContact CZ-CD2 3.86Å; F75-L79 WeakPolarHBondContact O-CB 3.5Å; F75-L79 PolarHBondContact O-N 2.82Å; F75-F107 HydrophobicContact CE1-CE2 4.34Å; F75-F107 HydrophobicContact CE1-CZ 4.15Å; F75-F107 HydrophobicContact CZ-CZ 4.45Å; F75-F347 HydrophobicContact CB-CE1 3.87Å; F75-F347 HydrophobicContact CB-CZ 3.83Å; F75-F347 HydrophobicContact CD2-CD1 4.29Å; F75-F347 AromaticContact CD2-CE1 3.81Å; F75-F347 HydrophobicContact CD2-CE1 3.81Å; F75-F347 HydrophobicContact CG-CE1 4.33Å |
| 76 | L | 97.5 | Very high | 96.5 | Very high | 2 Ų | 2 | 42.7 Ų | 42.7 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.3 | -45.9 | -176.7 | 178.7 | 68 | 0 | 0 | 0 | 112.3 | I71 M72 A78 L79 L80 I275 F279 Y280 | I71-L76 VanDerWaalsContact O-CB 3.29Å; I71-L76 WeakPolarHBondContact O-CB 3.4Å; I71-L76 PolarHBondContact O-N 2.81Å; M72-L76 HydrophobicContact SD-CD2 3.85Å; L76-A78 VanDerWaalsContact C-N 3.32Å; L76-A78 PolarHBondContact O-N 3.25Å; L76-L79 PolarHBondContact O-N 2.75Å; L76-L80 HydrophobicContact CD1-CD1 3.59Å; L76-L80 HydrophobicContact CD1-CG 3.86Å; L76-L80 HydrophobicContact CG-CD1 4.18Å; L76-L80 WeakPolarHBondContact O-CG 3.21Å; L76-L80 PolarHBondContact O-N 3Å; L76-I275 HydrophobicContact CD1-CG2 3.8Å; L76-F279 HydrophobicContact CD1-CB 4.34Å; L76-F279 HydrophobicContact CD1-CD2 3.48Å; L76-F279 VanDerWaalsContact CD1-CD2 3.48Å; L76-F279 HydrophobicContact CD1-CE2 3.89Å; L76-F279 HydrophobicContact CD1-CG 3.92Å; L76-F279 HydrophobicContact CD2-CB 3.55Å; L76-F279 HydrophobicContact CD2-CD1 4.35Å; L76-F279 HydrophobicContact CD2-CD2 4.23Å; L76-F279 HydrophobicContact CD2-CG 3.8Å; L76-F279 HydrophobicContact CG-CD2 4.44Å; L76-F279 HydrophobicContact CG-CG 4.43Å; L76-Y280 HydrophobicContact CD2-CE1 4.27Å |
| 77 | P | 97 | Very high | 96.4 | Very high | 30 Ų | 30 | 44.5 Ų | 44.5 | 20% | 0.195 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60 | -39.7 | 170.8 | -26.3 | 35 | 0 | 0 | 0 | 113.7 | M72 E74 D81 E82 T84 | M72-P77 WeakPolarHBondContact O-CD 3.4Å; E74-P77 WeakPolarHBondContact O-CD 3.43Å; P77-D81 VanDerWaalsContact O-CA 3.31Å; P77-D81 WeakPolarHBondContact O-CA 3.45Å; P77-D81 PolarHBondContact O-N 3.33Å; P77-E82 VanDerWaalsContact CA-O 3.25Å; P77-E82 WeakPolarHBondContact CA-O 3.48Å; P77-E82 WeakPolarHBondContact CB-O 3.49Å; P77-E82 PolarHBondContact O-N 2.99Å; P77-T84 WeakPolarHBondContact CG-OG1 3.48Å |
| 78 | A | 96.2 | Very high | 96.2 | Very high | 13 Ų | 13 | 51 Ų | 51 | 11% | 0.107 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.5 | -39.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | E74 F75 L76 F347 F348 | E74-A78 VanDerWaalsContact O-CB 3.28Å; E74-A78 WeakPolarHBondContact O-CB 3.25Å; E74-A78 PolarHBondContact O-N 3.49Å; E74-A78 VanDerWaalsContact O-N 3.08Å; F75-A78 WeakPolarHBondContact O-CB 3.44Å; F75-A78 PolarHBondContact O-N 3.31Å; F75-A78 VanDerWaalsContact O-N 3.15Å; L76-A78 VanDerWaalsContact C-N 3.32Å; L76-A78 PolarHBondContact O-N 3.25Å; A78-F347 HydrophobicContact CB-CB 3.86Å; A78-F347 HydrophobicContact CB-CG 4.13Å; A78-F348 HydrophobicContact CB-CE2 3.52Å; A78-F348 HydrophobicContact CB-CZ 3.63Å |
| 79 | L | 95.7 | Very high | 96 | Very high | 12 Ų | 12 | 56 Ų | 56 | 6% | 0.063 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -71.4 | -41.5 | 179.6 | -178.2 | 67.1 | 0 | 0 | 0 | 112.5 | F75 L76 F107 Y109 P110 M113 P267 I275 | F75-L79 HydrophobicContact CE1-CD2 3.98Å; F75-L79 HydrophobicContact CZ-CB 4.42Å; F75-L79 HydrophobicContact CZ-CD2 3.86Å; F75-L79 WeakPolarHBondContact O-CB 3.5Å; F75-L79 PolarHBondContact O-N 2.82Å; L76-L79 PolarHBondContact O-N 2.75Å; L79-F107 HydrophobicContact CD2-CE2 4.13Å; L79-Y109 HydrophobicContact CD1-CD1 4.28Å; L79-Y109 HydrophobicContact CD1-CE1 4.08Å; L79-P110 HydrophobicContact CD1-CG 4.42Å; L79-M113 HydrophobicContact CD1-SD 4.23Å; L79-P267 WeakPolarHBondContact O-CG 3.44Å; L79-I275 HydrophobicContact CD2-CG2 4.42Å |
| 80 | L | 95.5 | Very high | 95.9 | Very high | 4 Ų | 4 | 58.3 Ų | 58.3 | 2% | 0.021 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -92.4 | -12.5 | -175 | -60.4 | -171.2 | 0 | 0 | 0 | 113.8 | L76 E82 P267 K272 I275 R276 | L76-L80 HydrophobicContact CD1-CD1 3.59Å; L76-L80 HydrophobicContact CD1-CG 3.86Å; L76-L80 HydrophobicContact CG-CD1 4.18Å; L76-L80 WeakPolarHBondContact O-CG 3.21Å; L76-L80 PolarHBondContact O-N 3Å; L80-E82 HydrophobicContact CB-CB 4.44Å; L80-E82 PolarHBondContact O-N 2.96Å; L80-P267 HydrophobicContact CD2-CG 4.19Å; L80-K272 HydrophobicContact CD2-CG 4.19Å; L80-K272 WeakPolarHBondContact O-CE 2.96Å; L80-K272 PolarHBondContact O-NZ 2.88Å; L80-I275 HydrophobicContact CD1-CG2 4.22Å; L80-I275 HydrophobicContact CD2-CB 4.13Å; L80-I275 HydrophobicContact CD2-CD1 4.25Å; L80-I275 HydrophobicContact CD2-CG2 3.93Å; L80-I275 HydrophobicContact CG-CG2 4.41Å; L80-R276 HydrophobicContact CD1-CB 3.95Å |
| 81 | D | 93.4 | Very high | 95.8 | Very high | 94 Ų | 94 | 60.4 Ų | 60.4 | 50% | 0.503 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | 33.9 | -173.4 | -153.5 | 49.2 | 0 | 0 | 0 | 112.3 | P77 R266 | P77-D81 VanDerWaalsContact O-CA 3.31Å; P77-D81 WeakPolarHBondContact O-CA 3.45Å; P77-D81 PolarHBondContact O-N 3.33Å; D81-R266 HydrophobicContact CB-CG 4.11Å; D81-R266 IonicContact OD1-CZ 3.73Å; D81-R266 IonicContact OD1-NE 2.76Å; D81-R266 PolarHBondContact OD1-NE 3.48Å; D81-R266 IonicContact OD1-NH2 2.7Å; D81-R266 PolarHBondContact OD1-NH2 2.89Å; D81-R266 IonicContact OD2-NE 3.43Å |
| 82 | E | 93.5 | Very high | 95.6 | Very high | 69 Ų | 69 | 61.7 Ų | 61.7 | 32% | 0.322 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -143.9 | 139.7 | -175 | -73.2 | 171.6 | -148.6 | 0 | 0 | 110.4 | P77 L80 K272 | P77-E82 VanDerWaalsContact CA-O 3.25Å; P77-E82 WeakPolarHBondContact CA-O 3.48Å; P77-E82 WeakPolarHBondContact CB-O 3.49Å; P77-E82 PolarHBondContact O-N 2.99Å; L80-E82 HydrophobicContact CB-CB 4.44Å; L80-E82 PolarHBondContact O-N 2.96Å; E82-K272 WeakPolarHBondContact OE1-CD 3.28Å; E82-K272 IonicContact OE1-NZ 3.69Å; E82-K272 PolarHBondContact OE1-NZ 3.16Å |
| 83 | P | 93 | Very high | 95.5 | Very high | 119 Ų | 119 | 68.3 Ų | 68.3 | 77% | 0.773 | 35% | 0.353 | S | S | * | . | P | Polyproline II helix | trans | -66.4 | 140.6 | 178.4 | 28 | -34.2 | 0 | 0 | 0 | 111.6 | ||
| 84 | T | 95.1 | Very high | 95.4 | Very high | 22 Ų | 22 | 69.1 Ų | 69.1 | 14% | 0.135 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -73.2 | 132.1 | 172.2 | -67.1 | 0 | 0 | 0 | 0 | 110.7 | M72 Y73 P77 Y280 | M72-T84 HydrophobicContact CG-CG2 4Å; M72-T84 WeakPolarHBondContact O-CB 3.39Å; M72-T84 PolarHBondContact O-OG1 3.36Å; M72-T84 HydrophobicContact SD-CG2 3.77Å; Y73-T84 HydrophobicContact CD1-CG2 3.99Å; Y73-T84 HydrophobicContact CE1-CG2 3.79Å; P77-T84 WeakPolarHBondContact CG-OG1 3.48Å; T84-Y280 HydrophobicContact CG2-CE1 3.89Å |
| 85 | K | 94.9 | Very high | 95.3 | Very high | 129 Ų | 129 | 70.6 Ų | 70.6 | 56% | 0.561 | 37% | 0.373 | S | S | * | . | P | Polyproline II helix | trans | -58.3 | 143.1 | 173 | -70.2 | -171.2 | -179.5 | -175.4 | 0 | 111.1 | Y280 R283 | K85-Y280 HydrophobicContact CB-CE2 4.03Å; K85-Y280 HydrophobicContact CD-CE2 3.83Å; K85-Y280 HydrophobicContact CG-CE2 3.87Å; K85-Y280 PolarHBondContact N-OH 3.06Å; K85-R283 PolarHBondContact O-NH1 2.77Å |
| 86 | P | 95 | Very high | 95.2 | Very high | 105 Ų | 105 | 71.3 Ų | 71.3 | 68% | 0.682 | 38% | 0.384 | S | S | * | . | P | Polyproline II helix | trans | -55.2 | 150 | 171.8 | -24.8 | 34.7 | 0 | 0 | 0 | 112.4 | ||
| 87 | Y | 96.6 | Very high | 95.1 | Very high | 38 Ų | 38 | 73.3 Ų | 73.3 | 15% | 0.149 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -75.6 | 129.1 | 171 | 178.2 | -106.5 | 0 | 0 | 0 | 110.1 | K89 Y90 R283 W289 E291 | Y87-K89 VanDerWaalsContact CZ-C 3.47Å; Y87-K89 VanDerWaalsContact OH-C 3.31Å; Y87-Y90 WeakPolarHBondContact OH-CA 3.45Å; Y87-Y90 PolarHBondContact OH-N 3.44Å; Y87-R283 HydrophobicContact CD2-CG 4Å; Y87-R283 HydrophobicContact CE2-CG 4.38Å; Y87-W289 AromaticContact CD2-CD1 3.78Å; Y87-W289 AromaticContact CD2-NE1 3.78Å; Y87-W289 AromaticContact CE1-CD1 3.84Å; Y87-W289 AromaticContact CE2-CD1 3.53Å; Y87-W289 HydrophobicContact CE2-CG 4.25Å; Y87-W289 AromaticContact CG-NE1 3.83Å; Y87-W289 AromaticContact CZ-CD1 3.55Å; Y87-E291 WeakPolarHBondContact CB-OE2 3.22Å; Y87-E291 HydrophobicContact CD1-CB 3.69Å; Y87-E291 HydrophobicContact CE1-CB 4.05Å; Y87-E291 HydrophobicContact CG-CB 4.35Å |
| 88 | E | 94.3 | Very high | 95.2 | Very high | 178 Ų | 178 | 76.2 Ų | 76.2 | 83% | 0.832 | 42% | 0.422 | S | S | * | . | trans | -98.1 | -57.6 | -179.1 | -66.3 | -178.4 | -174.1 | 0 | 0 | 111.6 | ||||
| 89 | K | 93.8 | Very high | 95.2 | Very high | 137 Ų | 137 | 76.3 Ų | 76.3 | 60% | 0.596 | 42% | 0.422 | S | S | * | . | trans | -166.2 | 164.8 | -177.4 | 63.4 | -178.4 | -178.7 | -177.8 | 0 | 111.7 | Y87 | Y87-K89 VanDerWaalsContact CZ-C 3.47Å; Y87-K89 VanDerWaalsContact OH-C 3.31Å | ||
| 90 | Y | 95.8 | Very high | 95.3 | Very high | 54 Ų | 54 | 79.1 Ų | 79.1 | 21% | 0.212 | 44% | 0.441 | C | S | . | . | trans | -70.5 | 135.6 | 167.2 | 169.7 | -119.5 | 0 | 0 | 0 | 110.5 | Y87 P92 D284 A285 R287 | Y87-Y90 WeakPolarHBondContact OH-CA 3.45Å; Y87-Y90 PolarHBondContact OH-N 3.44Å; Y90-P92 HydrophobicContact CE1-CB 3.83Å; Y90-P92 HydrophobicContact CE1-CG 4.24Å; Y90-D284 CarbonylContact C-O 3.58Å; Y90-D284 WeakPolarHBondContact CA-O 3.14Å; Y90-D284 WeakPolarHBondContact CD2-O 3.46Å; Y90-A285 WeakPolarHBondContact CE2-O 3.47Å; Y90-R287 HydrophobicContact CE1-CB 4.31Å; Y90-R287 HydrophobicContact CE1-CG 4.35Å; Y90-R287 HydrophobicContact CE2-CB 3.93Å | ||
| 91 | N | 95.4 | Very high | 95.4 | Very high | 50 Ų | 50 | 80.3 Ų | 80.3 | 27% | 0.267 | 45% | 0.446 | S | S | . | . | trans | -123.2 | 101.9 | 175.8 | -172.7 | -10.6 | 0 | 0 | 0 | 110.5 | N93 L94 D284 | N91-N93 PolarHBondContact O-N 3.34Å; N91-N93 WeakPolarHBondContact OD1-CB 3.41Å; N91-N93 PolarHBondContact OD1-N 2.85Å; N91-L94 HydrophobicContact CB-CD1 3.82Å; N91-L94 HydrophobicContact CB-CG 3.97Å; N91-L94 WeakPolarHBondContact ND2-CG 3.46Å; N91-L94 PolarHBondContact O-N 3.49Å; N91-D284 PolarHBondContact N-O 3.28Å | ||
| 92 | P | 94.3 | Very high | 95.6 | Very high | 84 Ų | 84 | 76.8 Ų | 76.8 | 55% | 0.545 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -14.6 | -179.3 | 27.6 | -35 | 0 | 0 | 0 | 114 | Y90 | Y90-P92 HydrophobicContact CE1-CB 3.83Å; Y90-P92 HydrophobicContact CE1-CG 4.24Å |
| 93 | N | 96.3 | Very high | 95.8 | Very high | 143 Ų | 143 | 76 Ų | 76 | 77% | 0.765 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -5 | -178.5 | -59.2 | -42 | 0 | 0 | 0 | 113 | N91 | N91-N93 PolarHBondContact O-N 3.34Å; N91-N93 WeakPolarHBondContact OD1-CB 3.41Å; N91-N93 PolarHBondContact OD1-N 2.85Å |
| 94 | L | 95.8 | Very high | 96 | Very high | 54 Ų | 54 | 70.4 Ų | 70.4 | 28% | 0.283 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -84 | 133.4 | 175.8 | -73.9 | 176.9 | 0 | 0 | 0 | 110.6 | N91 P96 D284 A285 | N91-L94 HydrophobicContact CB-CD1 3.82Å; N91-L94 HydrophobicContact CB-CG 3.97Å; N91-L94 WeakPolarHBondContact ND2-CG 3.46Å; N91-L94 PolarHBondContact O-N 3.49Å; L94-P96 VanDerWaalsContact O-CD 3.27Å; L94-P96 WeakPolarHBondContact O-CD 3.15Å; L94-D284 HydrophobicContact CD1-CB 3.73Å; L94-A285 HydrophobicContact CB-CB 3.81Å; L94-A285 WeakPolarHBondContact O-CB 3.49Å |
| 95 | P | 95.5 | Very high | 96.2 | Very high | 85 Ų | 85 | 69.3 Ų | 69.3 | 55% | 0.552 | 39% | 0.389 | S | S | * | . | trans | -74.2 | 117.4 | 173.9 | 28.4 | -31.9 | 0 | 0 | 0 | 110.5 | G97 R281 | P95-G97 PolarHBondContact O-N 2.95Å; P95-R281 PolarHBondContact O-NH1 3.18Å | ||
| 96 | P | 94 | Very high | 96.3 | Very high | 76 Ų | 76 | 63.2 Ų | 63.2 | 49% | 0.494 | 36% | 0.362 | S | S | . | . | trans | -78.9 | -6.4 | -179.7 | 32.4 | -35.9 | 0 | 0 | 0 | 113.1 | L94 I282 A285 | L94-P96 VanDerWaalsContact O-CD 3.27Å; L94-P96 WeakPolarHBondContact O-CD 3.15Å; P96-I282 WeakPolarHBondContact O-CG2 3.27Å; P96-A285 HydrophobicContact CB-CB 3.8Å; P96-A285 HydrophobicContact CG-CB 4.48Å | ||
| 97 | G | 96.9 | Very high | 96.4 | Very high | 44 Ų | 44 | 61.8 Ų | 61.8 | 45% | 0.454 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -56.2 | 143.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | P95 S99 Q278 R281 | P95-G97 PolarHBondContact O-N 2.95Å; G97-S99 PolarHBondContact O-N 3.39Å; G97-Q278 PolarHBondContact O-NE2 3.3Å; G97-Q278 PolarHBondContact O-OE1 2.93Å; G97-R281 PolarHBondContact O-NH1 3.42Å |
| 98 | V | 97.9 | Very high | 96.4 | Very high | 91 Ų | 91 | 62.6 Ų | 62.6 | 55% | 0.552 | 35% | 0.349 | S | S | * | . | P | Polyproline II helix | trans | -73 | 121.9 | 170.7 | -179.2 | 0 | 0 | 0 | 0 | 108.5 | F102 A103 | V98-F102 HydrophobicContact CG1-CD1 3.52Å; V98-F102 HydrophobicContact CG1-CE1 4.15Å; V98-F102 HydrophobicContact CG1-CG 4.41Å; V98-A103 HydrophobicContact CG1-CB 3.94Å |
| 99 | S | 97.4 | Very high | 96.4 | Very high | 15 Ų | 15 | 54.3 Ų | 54.3 | 11% | 0.105 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -78.4 | 148.3 | -178.5 | 69.8 | 0 | 0 | 0 | 0 | 111.8 | G97 E101 F102 A103 Q278 | G97-S99 PolarHBondContact O-N 3.39Å; S99-E101 VanDerWaalsContact C-N 3.3Å; S99-E101 VanDerWaalsContact CB-CD 3.41Å; S99-E101 WeakPolarHBondContact CB-OE1 3.33Å; S99-E101 WeakPolarHBondContact CB-OE2 3.33Å; S99-E101 PolarHBondContact O-N 3.5Å; S99-E101 PolarHBondContact OG-OE1 2.85Å; S99-E101 PolarHBondContact OG-OE2 3.23Å; S99-F102 WeakPolarHBondContact O-CB 3.26Å; S99-F102 PolarHBondContact O-N 3.25Å; S99-F102 VanDerWaalsContact O-N 3.16Å; S99-A103 PolarHBondContact O-N 3.5Å; S99-Q278 PolarHBondContact OG-OE1 3.45Å |
| 100 | P | 97.4 | Very high | 96.4 | Very high | 70 Ų | 70 | 49.4 Ų | 49.4 | 46% | 0.455 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -56.7 | -41 | 178.6 | -27 | 36.2 | 0 | 0 | 0 | 113.1 | F102 A103 A104 L206 | P100-F102 VanDerWaalsContact C-N 3.28Å; P100-F102 PolarHBondContact O-N 2.73Å; P100-A103 PolarHBondContact O-N 2.94Å; P100-A104 VanDerWaalsContact O-CB 3.3Å; P100-A104 WeakPolarHBondContact O-CB 3.43Å; P100-A104 PolarHBondContact O-N 3.25Å; P100-L206 HydrophobicContact CB-CD2 3.64Å |
| 101 | E | 97.5 | Very high | 96.5 | Very high | 29 Ų | 29 | 49 Ų | 49 | 14% | 0.136 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.1 | -29.6 | 179.5 | 68.4 | -77.4 | 176.8 | 0 | 0 | 112.8 | S99 A105 A106 L206 L212 F216 I274 | S99-E101 VanDerWaalsContact C-N 3.3Å; S99-E101 VanDerWaalsContact CB-CD 3.41Å; S99-E101 WeakPolarHBondContact CB-OE1 3.33Å; S99-E101 WeakPolarHBondContact CB-OE2 3.33Å; S99-E101 PolarHBondContact O-N 3.5Å; S99-E101 PolarHBondContact OG-OE1 2.85Å; S99-E101 PolarHBondContact OG-OE2 3.23Å; E101-A105 WeakPolarHBondContact O-CB 3.22Å; E101-A105 PolarHBondContact O-N 3.26Å; E101-A106 PolarHBondContact O-N 2.81Å; E101-L206 HydrophobicContact CB-CD2 4.29Å; E101-L212 HydrophobicContact CB-CD1 4.14Å; E101-L212 HydrophobicContact CB-CD2 4.13Å; E101-L212 HydrophobicContact CG-CD2 4.43Å; E101-F216 HydrophobicContact CG-CE2 4.06Å; E101-F216 HydrophobicContact CG-CZ 4.25Å; E101-I274 HydrophobicContact CB-CD1 4.35Å; E101-I274 HydrophobicContact CG-CD1 4.18Å; E101-I274 HydrophobicContact CG-CG1 4.23Å; E101-I274 HydrophobicContact CG-CG2 3.99Å |
| 102 | F | 98.3 | Very high | 96.5 | Very high | 20 Ų | 20 | 46.7 Ų | 46.7 | 9% | 0.088 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -69.1 | -54 | 169.7 | 176.2 | -89.8 | 0 | 0 | 0 | 111.2 | V98 S99 P100 A106 F107 I274 I275 Q278 F279 | V98-F102 HydrophobicContact CG1-CD1 3.52Å; V98-F102 HydrophobicContact CG1-CE1 4.15Å; V98-F102 HydrophobicContact CG1-CG 4.41Å; S99-F102 WeakPolarHBondContact O-CB 3.26Å; S99-F102 PolarHBondContact O-N 3.25Å; S99-F102 VanDerWaalsContact O-N 3.16Å; P100-F102 VanDerWaalsContact C-N 3.28Å; P100-F102 PolarHBondContact O-N 2.73Å; F102-A106 PolarHBondContact O-N 3.47Å; F102-F107 HydrophobicContact CD1-CB 4.05Å; F102-F107 HydrophobicContact CD2-CB 4.19Å; F102-F107 HydrophobicContact CE1-CB 3.73Å; F102-F107 HydrophobicContact CE1-CD1 4.05Å; F102-F107 HydrophobicContact CE1-CD2 4.35Å; F102-F107 AromaticContact CE1-CG 3.79Å; F102-F107 HydrophobicContact CE1-CG 3.79Å; F102-F107 HydrophobicContact CE2-CB 3.88Å; F102-F107 AromaticContact CE2-CD2 3.65Å; F102-F107 HydrophobicContact CE2-CD2 3.65Å; F102-F107 HydrophobicContact CE2-CE2 4.4Å; F102-F107 AromaticContact CE2-CG 3.86Å; F102-F107 HydrophobicContact CE2-CG 3.86Å; F102-F107 HydrophobicContact CG-CB 4.29Å; F102-F107 HydrophobicContact CZ-CB 3.65Å; F102-F107 AromaticContact CZ-CD1 3.87Å; F102-F107 HydrophobicContact CZ-CD1 3.87Å; F102-F107 AromaticContact CZ-CD2 3.48Å; F102-F107 HydrophobicContact CZ-CD2 3.48Å; F102-F107 VanDerWaalsContact CZ-CD2 3.48Å; F102-F107 HydrophobicContact CZ-CE1 4.39Å; F102-F107 HydrophobicContact CZ-CE2 4.07Å; F102-F107 AromaticContact CZ-CG 3.37Å; F102-F107 HydrophobicContact CZ-CG 3.37Å; F102-F107 HydrophobicContact CZ-CZ 4.48Å; F102-F107 WeakPolarHBondContact O-CB 3.39Å; F102-F107 PolarHBondContact O-N 2.94Å; F102-I274 HydrophobicContact CB-CG2 3.86Å; F102-I274 HydrophobicContact CD2-CG2 4.34Å; F102-I275 HydrophobicContact CD2-CG1 4.44Å; F102-I275 HydrophobicContact CE2-CB 4.47Å; F102-I275 HydrophobicContact CE2-CG1 4.32Å; F102-I275 HydrophobicContact CE2-CG2 4.39Å; F102-Q278 HydrophobicContact CB-CB 4.21Å; F102-Q278 HydrophobicContact CB-CG 4.15Å; F102-Q278 HydrophobicContact CD1-CG 3.88Å; F102-Q278 HydrophobicContact CD2-CB 3.33Å; F102-Q278 HydrophobicContact CD2-CG 3.52Å; F102-Q278 HydrophobicContact CE1-CG 4.08Å; F102-Q278 HydrophobicContact CE2-CB 3.72Å; F102-Q278 HydrophobicContact CE2-CG 3.75Å; F102-Q278 HydrophobicContact CG-CB 3.8Å; F102-Q278 HydrophobicContact CG-CG 3.58Å; F102-Q278 HydrophobicContact CZ-CB 4.48Å; F102-Q278 HydrophobicContact CZ-CG 4.01Å; F102-F279 HydrophobicContact CE2-CD2 4.25Å; F102-F279 HydrophobicContact CE2-CE2 4.02Å; F102-F279 HydrophobicContact CZ-CE2 4.08Å |
| 103 | A | 97.4 | Very high | 96.7 | Very high | 52 Ų | 52 | 45 Ų | 45 | 43% | 0.43 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -74.3 | -36.7 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | V98 S99 P100 | V98-A103 HydrophobicContact CG1-CB 3.94Å; S99-A103 PolarHBondContact O-N 3.5Å; P100-A103 PolarHBondContact O-N 2.94Å |
| 104 | A | 97.3 | Very high | 96.7 | Very high | 2 Ų | 2 | 40.1 Ų | 40.1 | 2% | 0.017 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -98.5 | -13.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | P100 R108 R200 C204 L206 | P100-A104 VanDerWaalsContact O-CB 3.3Å; P100-A104 WeakPolarHBondContact O-CB 3.43Å; P100-A104 PolarHBondContact O-N 3.25Å; A104-R108 WeakPolarHBondContact O-CD 3.26Å; A104-R200 HydrophobicContact CB-CG 4.25Å; A104-C204 HydrophobicContact CB-CB 4.18Å; A104-L206 HydrophobicContact CB-CD1 3.97Å; A104-L206 HydrophobicContact CB-CG 4.41Å |
| 105 | A | 97.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -129.5 | -70.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | E101 F107 R108 L206 A254 F271 | E101-A105 WeakPolarHBondContact O-CB 3.22Å; E101-A105 PolarHBondContact O-N 3.26Å; A105-F107 PolarHBondContact O-N 3.41Å; A105-R108 WeakPolarHBondContact O-CB 3.34Å; A105-R108 PolarHBondContact O-N 2.9Å; A105-L206 HydrophobicContact CB-CD1 3.75Å; A105-A254 HydrophobicContact CB-CB 4.14Å; A105-F271 HydrophobicContact CB-CE1 4.28Å |
| 106 | A | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -66.5 | -45.2 | -163.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | E101 F102 R108 Y109 F271 I274 I275 | E101-A106 PolarHBondContact O-N 2.81Å; F102-A106 PolarHBondContact O-N 3.47Å; A106-R108 PolarHBondContact O-N 3.02Å; A106-R108 VanDerWaalsContact O-N 3.12Å; A106-Y109 WeakPolarHBondContact O-CB 3.5Å; A106-Y109 PolarHBondContact O-N 3.46Å; A106-F271 HydrophobicContact CB-CB 4.35Å; A106-F271 HydrophobicContact CB-CD1 3.58Å; A106-F271 HydrophobicContact CB-CE1 4.01Å; A106-F271 HydrophobicContact CB-CG 4.04Å; A106-I274 HydrophobicContact CB-CB 3.73Å; A106-I274 HydrophobicContact CB-CD1 4.03Å; A106-I274 HydrophobicContact CB-CG1 4.49Å; A106-I274 HydrophobicContact CB-CG2 3.47Å; A106-I274 VanDerWaalsContact CB-CG2 3.47Å; A106-I275 HydrophobicContact CB-CD1 4.49Å; A106-I275 HydrophobicContact CB-CG1 3.99Å |
| 107 | F | 97.2 | Very high | 96.9 | Very high | 76 Ų | 76 | 31.1 Ų | 31.1 | 33% | 0.333 | 19% | 0.185 | S | C | . | . | G | 310 helix | trans | -79.4 | 9.5 | -179.3 | -150.1 | -114.8 | 0 | 0 | 0 | 113.5 | F75 L79 F102 A105 P110 I275 F279 | F75-F107 HydrophobicContact CE1-CE2 4.34Å; F75-F107 HydrophobicContact CE1-CZ 4.15Å; F75-F107 HydrophobicContact CZ-CZ 4.45Å; L79-F107 HydrophobicContact CD2-CE2 4.13Å; F102-F107 HydrophobicContact CD1-CB 4.05Å; F102-F107 HydrophobicContact CD2-CB 4.19Å; F102-F107 HydrophobicContact CE1-CB 3.73Å; F102-F107 HydrophobicContact CE1-CD1 4.05Å; F102-F107 HydrophobicContact CE1-CD2 4.35Å; F102-F107 AromaticContact CE1-CG 3.79Å; F102-F107 HydrophobicContact CE1-CG 3.79Å; F102-F107 HydrophobicContact CE2-CB 3.88Å; F102-F107 AromaticContact CE2-CD2 3.65Å; F102-F107 HydrophobicContact CE2-CD2 3.65Å; F102-F107 HydrophobicContact CE2-CE2 4.4Å; F102-F107 AromaticContact CE2-CG 3.86Å; F102-F107 HydrophobicContact CE2-CG 3.86Å; F102-F107 HydrophobicContact CG-CB 4.29Å; F102-F107 HydrophobicContact CZ-CB 3.65Å; F102-F107 AromaticContact CZ-CD1 3.87Å; F102-F107 HydrophobicContact CZ-CD1 3.87Å; F102-F107 AromaticContact CZ-CD2 3.48Å; F102-F107 HydrophobicContact CZ-CD2 3.48Å; F102-F107 VanDerWaalsContact CZ-CD2 3.48Å; F102-F107 HydrophobicContact CZ-CE1 4.39Å; F102-F107 HydrophobicContact CZ-CE2 4.07Å; F102-F107 AromaticContact CZ-CG 3.37Å; F102-F107 HydrophobicContact CZ-CG 3.37Å; F102-F107 HydrophobicContact CZ-CZ 4.48Å; F102-F107 WeakPolarHBondContact O-CB 3.39Å; F102-F107 PolarHBondContact O-N 2.94Å; A105-F107 PolarHBondContact O-N 3.41Å; F107-P110 WeakPolarHBondContact O-CD 3.38Å; F107-I275 HydrophobicContact CD2-CD1 4.46Å; F107-I275 HydrophobicContact CD2-CG1 4.31Å; F107-I275 HydrophobicContact CD2-CG2 4.45Å; F107-F279 HydrophobicContact CD2-CE2 4.25Å; F107-F279 AromaticContact CE2-CE2 3.65Å; F107-F279 HydrophobicContact CE2-CE2 3.65Å; F107-F279 AromaticContact CE2-CZ 3.88Å; F107-F279 HydrophobicContact CE2-CZ 3.88Å; F107-F279 HydrophobicContact CZ-CE2 4.25Å; F107-F279 HydrophobicContact CZ-CZ 4.02Å |
| 108 | R | 95.9 | Very high | 96.9 | Very high | 55 Ų | 55 | 29.4 Ų | 29.4 | 21% | 0.208 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -93.2 | -8.5 | 165.2 | -61.3 | -175.8 | 169.4 | -100.3 | -13.3 | 112.7 | A104 A105 A106 P110 H111 S197 Y255 | A104-R108 WeakPolarHBondContact O-CD 3.26Å; A105-R108 WeakPolarHBondContact O-CB 3.34Å; A105-R108 PolarHBondContact O-N 2.9Å; A106-R108 PolarHBondContact O-N 3.02Å; A106-R108 VanDerWaalsContact O-N 3.12Å; R108-P110 VanDerWaalsContact C-N 3.27Å; R108-H111 VanDerWaalsContact O-CB 3.31Å; R108-H111 WeakPolarHBondContact O-CB 3.4Å; R108-H111 PolarHBondContact O-N 2.92Å; R108-H111 PolarHBondContact O-ND1 2.96Å; R108-S197 PolarHBondContact NH1-OG 3.43Å; R108-Y255 HydrophobicContact CB-CD2 4.07Å; R108-Y255 HydrophobicContact CB-CE2 3.69Å |
| 109 | Y | 94.3 | Very high | 96.9 | Very high | 3 Ų | 3 | 25.1 Ų | 25.1 | 1% | 0.012 | 14% | 0.14 | C | C | . | . | G | 310 helix | trans | -48.7 | -39.8 | 172.9 | 164.8 | -106.4 | 0 | 0 | 0 | 114.4 | L79 A106 H111 T112 M113 E170 I259 P267 F271 | L79-Y109 HydrophobicContact CD1-CD1 4.28Å; L79-Y109 HydrophobicContact CD1-CE1 4.08Å; A106-Y109 WeakPolarHBondContact O-CB 3.5Å; A106-Y109 PolarHBondContact O-N 3.46Å; Y109-H111 PolarHBondContact O-N 3.42Å; Y109-T112 WeakPolarHBondContact O-CB 3.12Å; Y109-T112 WeakPolarHBondContact O-CG2 3.48Å; Y109-T112 PolarHBondContact O-N 2.94Å; Y109-T112 PolarHBondContact O-OG1 2.97Å; Y109-M113 HydrophobicContact CE1-SD 4.47Å; Y109-E170 HydrophobicContact CE2-CB 4.18Å; Y109-E170 WeakPolarHBondContact OH-CB 3.41Å; Y109-E170 VanDerWaalsContact OH-CG 3.22Å; Y109-E170 WeakPolarHBondContact OH-CG 3.46Å; Y109-I259 HydrophobicContact CD2-CD1 4.23Å; Y109-P267 HydrophobicContact CD1-CB 4.02Å; Y109-P267 HydrophobicContact CD1-CG 4.4Å; Y109-P267 HydrophobicContact CD2-CB 4.31Å; Y109-P267 HydrophobicContact CE1-CB 3.58Å; Y109-P267 HydrophobicContact CE1-CG 3.69Å; Y109-P267 HydrophobicContact CE2-CB 3.92Å; Y109-P267 HydrophobicContact CG-CB 4.34Å; Y109-P267 WeakPolarHBondContact OH-CA 3.17Å; Y109-P267 WeakPolarHBondContact OH-CD 3.49Å; Y109-F271 HydrophobicContact CD2-CD2 4.16Å; Y109-F271 HydrophobicContact CG-CD2 4.15Å |
| 110 | P | 95.3 | Very high | 96.9 | Very high | 35 Ų | 35 | 24.4 Ų | 24.4 | 23% | 0.227 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | -59.3 | -13.2 | 177.6 | -26.7 | 36.7 | 0 | 0 | 0 | 115.1 | L79 F107 R108 T112 M113 | L79-P110 HydrophobicContact CD1-CG 4.42Å; F107-P110 WeakPolarHBondContact O-CD 3.38Å; R108-P110 VanDerWaalsContact C-N 3.27Å; P110-T112 PolarHBondContact O-N 3.01Å; P110-M113 WeakPolarHBondContact O-CB 3.29Å; P110-M113 PolarHBondContact O-N 3.47Å |
| 111 | H | 96.5 | Very high | 96.8 | Very high | 44 Ų | 44 | 21 Ų | 21 | 20% | 0.204 | 11% | 0.113 | C | C | . | . | G | 310 helix | trans | -60.7 | -22.3 | 171.2 | -63.6 | 154.7 | 0 | 0 | 0 | 113.4 | R108 Y109 M113 L178 | R108-H111 VanDerWaalsContact O-CB 3.31Å; R108-H111 WeakPolarHBondContact O-CB 3.4Å; R108-H111 PolarHBondContact O-N 2.92Å; R108-H111 PolarHBondContact O-ND1 2.96Å; Y109-H111 PolarHBondContact O-N 3.42Å; H111-M113 VanDerWaalsContact C-N 3.27Å; H111-L178 HydrophobicContact CB-CD1 4.16Å; H111-L178 WeakPolarHBondContact O-CD1 3.26Å |
| 112 | T | 96.6 | Very high | 96.8 | Very high | 3 Ų | 3 | 22 Ų | 22 | 2% | 0.018 | 12% | 0.119 | C | C | . | . | G | 310 helix | trans | -69.3 | -26.8 | 174.1 | 59.3 | 0 | 0 | 0 | 0 | 112.3 | Y109 P110 E168 D171 I174 I259 | Y109-T112 WeakPolarHBondContact O-CB 3.12Å; Y109-T112 WeakPolarHBondContact O-CG2 3.48Å; Y109-T112 PolarHBondContact O-N 2.94Å; Y109-T112 PolarHBondContact O-OG1 2.97Å; P110-T112 PolarHBondContact O-N 3.01Å; T112-E168 WeakPolarHBondContact O-CB 3.5Å; T112-D171 WeakPolarHBondContact CG2-O 3.38Å; T112-I174 HydrophobicContact CG2-CG1 4.47Å; T112-I259 HydrophobicContact CG2-CD1 3.52Å; T112-I259 HydrophobicContact CG2-CG2 4.42Å |
| 113 | M | 96.8 | Very high | 96.6 | Very high | 48 Ų | 48 | 22.1 Ų | 22.1 | 24% | 0.236 | 13% | 0.126 | C | C | . | . | G | 310 helix | trans | -89 | -8.8 | -175.1 | -65.1 | 170.9 | 75.5 | 0 | 0 | 113.7 | L79 Y109 P110 H111 P115 A167 E168 E170 | L79-M113 HydrophobicContact CD1-SD 4.23Å; Y109-M113 HydrophobicContact CE1-SD 4.47Å; P110-M113 WeakPolarHBondContact O-CB 3.29Å; P110-M113 PolarHBondContact O-N 3.47Å; H111-M113 VanDerWaalsContact C-N 3.27Å; M113-P115 WeakPolarHBondContact O-CD 3.39Å; M113-A167 HydrophobicContact CB-CB 4.2Å; M113-A167 HydrophobicContact CE-CB 4.38Å; M113-A167 WeakPolarHBondContact O-CB 3.42Å; M113-E168 PolarHBondContact O-N 3.48Å; M113-E170 HydrophobicContact CE-CG 4.4Å; M113-E170 HydrophobicContact CG-CG 3.52Å; M113-E170 HydrophobicContact SD-CG 3.95Å |
| 114 | V | 97.1 | Very high | 96.5 | Very high | 41 Ų | 41 | 25.9 Ų | 25.9 | 25% | 0.248 | 13% | 0.134 | C | C | . | . | trans | -76.2 | 119.6 | -171.6 | 177.1 | 0 | 0 | 0 | 0 | 110.3 | L139 E168 V175 L178 | V114-L139 HydrophobicContact CG1-CD2 3.35Å; V114-E168 WeakPolarHBondContact O-CG 3.46Å; V114-V175 VanDerWaalsContact O-CG1 3.29Å; V114-V175 WeakPolarHBondContact O-CG1 3.3Å; V114-V175 VanDerWaalsContact O-CG2 3.22Å; V114-V175 WeakPolarHBondContact O-CG2 3.47Å; V114-L178 HydrophobicContact CB-CD1 3.63Å; V114-L178 HydrophobicContact CG1-CD1 3.92Å; V114-L178 HydrophobicContact CG1-CG 4.32Å; V114-L178 HydrophobicContact CG2-CD1 3.91Å | ||
| 115 | P | 97.2 | Very high | 96.5 | Very high | 24 Ų | 24 | 28.6 Ų | 28.6 | 16% | 0.156 | 15% | 0.153 | C | C | . | . | trans | -74.5 | 154.9 | 177.6 | 32.3 | -35.6 | 0 | 0 | 0 | 112.5 | M113 G117 E168 | M113-P115 WeakPolarHBondContact O-CD 3.39Å; P115-G117 PolarHBondContact O-N 3.3Å; P115-E168 HydrophobicContact CB-CG 4.22Å | ||
| 116 | S | 96.5 | Very high | 96.5 | Very high | 2 Ų | 2 | 34.6 Ų | 34.6 | 1% | 0.014 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -67 | -17.3 | 176.5 | -59.2 | 0 | 0 | 0 | 0 | 113.6 | R138 L139 V175 D177 S363 L366 | S116-R138 WeakPolarHBondContact O-CD 3.33Å; S116-R138 PolarHBondContact O-NE 3.15Å; S116-L139 PolarHBondContact O-N 2.89Å; S116-V175 WeakPolarHBondContact OG-CB 3.47Å; S116-V175 WeakPolarHBondContact OG-CG1 3.15Å; S116-D177 WeakPolarHBondContact CA-OD2 3.39Å; S116-D177 WeakPolarHBondContact CB-OD2 3.42Å; S116-D177 PolarHBondContact OG-OD2 2.86Å; S116-S363 PolarHBondContact OG-OG 3.17Å; S116-L366 WeakPolarHBondContact O-CD1 3.31Å |
| 117 | G | 95.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 167.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | P115 L137 Q165 | P115-G117 PolarHBondContact O-N 3.3Å; G117-L137 CarbonylContact C-O 3.19Å; G117-L137 WeakPolarHBondContact CA-O 3.48Å; G117-Q165 PolarHBondContact O-NE2 3.33Å |
| 118 | T | 96.7 | Very high | 96.3 | Very high | 7 Ų | 7 | 35.9 Ų | 35.9 | 4% | 0.043 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 129.5 | -175.5 | -65 | 0 | 0 | 0 | 0 | 110.7 | Q24 A136 L137 F158 M162 Q165 | Q24-T118 HydrophobicContact CG-CG2 4.31Å; Q24-T118 PolarHBondContact NE2-OG1 2.63Å; T118-A136 WeakPolarHBondContact O-CB 3.39Å; T118-L137 PolarHBondContact N-O 3.47Å; T118-L137 PolarHBondContact O-N 3.34Å; T118-F158 HydrophobicContact CG2-CD1 4.43Å; T118-M162 HydrophobicContact CG2-CG 4.14Å; T118-Q165 VanDerWaalsContact CA-OE1 3.27Å |
| 119 | F | 97.6 | Very high | 96.1 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 0% | 0.004 | 21% | 0.208 | C | C | . | . | trans | -66.7 | 147.3 | 170.6 | -76.6 | -56.4 | 0 | 0 | 0 | 110.8 | F127 A136 G161 Q165 Q357 P358 F359 V361 | F119-F127 HydrophobicContact CB-CD1 3.82Å; F119-F127 HydrophobicContact CB-CE1 4.01Å; F119-F127 HydrophobicContact CD1-CD1 4Å; F119-F127 HydrophobicContact CD2-CE1 4.38Å; F119-F127 AromaticContact CG-CD1 3.88Å; F119-F127 HydrophobicContact CG-CD1 3.88Å; F119-F127 HydrophobicContact CG-CE1 4.09Å; F119-A136 HydrophobicContact CD1-CB 3.99Å; F119-A136 HydrophobicContact CE1-CB 4.16Å; F119-G161 VanDerWaalsContact O-CA 3.3Å; F119-G161 WeakPolarHBondContact O-CA 3.02Å; F119-Q165 HydrophobicContact CD2-CB 4.07Å; F119-Q165 HydrophobicContact CD2-CG 3.92Å; F119-Q165 HydrophobicContact CE2-CG 4.43Å; F119-Q357 HydrophobicContact CD2-CB 4.25Å; F119-Q357 HydrophobicContact CE2-CB 3.94Å; F119-P358 HydrophobicContact CD1-CG 4.27Å; F119-P358 HydrophobicContact CE1-CG 3.56Å; F119-P358 HydrophobicContact CE2-CG 4.22Å; F119-P358 HydrophobicContact CZ-CG 3.53Å; F119-F359 HydrophobicContact CE1-CE1 4.15Å; F119-F359 HydrophobicContact CE1-CE2 4.09Å; F119-F359 AromaticContact CE1-CZ 3.74Å; F119-F359 HydrophobicContact CE1-CZ 3.74Å; F119-F359 WeakPolarHBondContact CE2-O 3.09Å; F119-F359 HydrophobicContact CZ-CD1 4.47Å; F119-F359 HydrophobicContact CZ-CD2 4Å; F119-F359 HydrophobicContact CZ-CE1 4.18Å; F119-F359 AromaticContact CZ-CE2 3.7Å; F119-F359 HydrophobicContact CZ-CE2 3.7Å; F119-F359 HydrophobicContact CZ-CG 4.38Å; F119-F359 AromaticContact CZ-CZ 3.78Å; F119-F359 HydrophobicContact CZ-CZ 3.78Å; F119-F359 WeakPolarHBondContact CZ-O 3.31Å; F119-V361 HydrophobicContact CD2-CG2 4.08Å; F119-V361 HydrophobicContact CE1-CG2 4.1Å; F119-V361 HydrophobicContact CE2-CG2 3.42Å; F119-V361 VanDerWaalsContact CE2-CG2 3.42Å; F119-V361 HydrophobicContact CZ-CG2 3.42Å; F119-V361 VanDerWaalsContact CZ-CG2 3.42Å | ||
| 120 | L | 97.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | trans | -113.9 | 132.8 | 166.5 | -60.8 | 171.5 | 0 | 0 | 0 | 106.9 | F127 E128 V131 Y153 Q157 F158 | L120-F127 CarbonylContact O-C 3.43Å; L120-F127 WeakPolarHBondContact O-CA 3.48Å; L120-E128 HydrophobicContact CB-CB 3.95Å; L120-E128 PolarHBondContact O-N 3.27Å; L120-V131 HydrophobicContact CD1-CG2 4.01Å; L120-Y153 HydrophobicContact CD1-CD1 3.45Å; L120-Y153 VanDerWaalsContact CD1-CD1 3.45Å; L120-Y153 HydrophobicContact CD1-CD2 3.59Å; L120-Y153 HydrophobicContact CD1-CE1 3.83Å; L120-Y153 HydrophobicContact CD1-CE2 3.93Å; L120-Y153 HydrophobicContact CD1-CG 3.34Å; L120-Q157 HydrophobicContact CB-CB 4.33Å; L120-Q157 HydrophobicContact CD2-CB 4.39Å; L120-F158 HydrophobicContact CD2-CD1 3.58Å; L120-F158 HydrophobicContact CD2-CD2 4.01Å; L120-F158 HydrophobicContact CD2-CE1 3.59Å; L120-F158 HydrophobicContact CD2-CE2 4.01Å; L120-F158 HydrophobicContact CD2-CG 3.8Å; L120-F158 HydrophobicContact CD2-CZ 3.8Å | ||
| 121 | R | 96.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | B | Isolated β-bridge | trans | -141 | 138.9 | -174 | -171.6 | -173.3 | 60.1 | 87.1 | -23.8 | 111.4 | K126 F127 Q157 L160 S164 E341 C355 | R121-K126 WeakPolarHBondContact CA-O 3.28Å; R121-K126 WeakPolarHBondContact CG-O 3.38Å; R121-F127 HydrophobicContact CB-CD1 3.98Å; R121-F127 HydrophobicContact CB-CE1 4.06Å; R121-F127 HydrophobicContact CB-CG 4.47Å; R121-F127 HydrophobicContact CG-CD1 4.15Å; R121-F127 HydrophobicContact CG-CD2 4.32Å; R121-F127 HydrophobicContact CG-CE1 4.11Å; R121-F127 HydrophobicContact CG-CE2 4.27Å; R121-F127 HydrophobicContact CG-CG 4.27Å; R121-F127 HydrophobicContact CG-CZ 4.19Å; R121-Q157 PolarHBondContact N-O 3.16Å; R121-Q157 VanDerWaalsContact O-CA 3.29Å; R121-Q157 WeakPolarHBondContact O-CA 3.48Å; R121-L160 HydrophobicContact CB-CB 4.2Å; R121-L160 PolarHBondContact NE-O 3.49Å; R121-L160 WeakPolarHBondContact O-CB 3.38Å; R121-L160 WeakPolarHBondContact O-CD1 3.42Å; R121-S164 PolarHBondContact NE-OG 2.62Å; R121-S164 PolarHBondContact NH2-OG 3.18Å; R121-E341 PolarHBondContact NH1-O 2.71Å; R121-E341 PolarHBondContact NH2-O 2.87Å; R121-C355 PolarHBondContact NH1-SG 3.5Å |
| 122 | N | 95.9 | Very high | 95.3 | Very high | 50 Ų | 50 | 43 Ų | 43 | 27% | 0.267 | 25% | 0.246 | S | C | . | . | trans | -91.1 | 176.3 | 172.2 | 77.5 | 1.5 | 0 | 0 | 0 | 112.8 | E124 C125 K126 | N122-E124 PolarHBondContact O-N 3.26Å; N122-E124 PolarHBondContact OD1-N 3.32Å; N122-C125 PolarHBondContact O-N 3.05Å; N122-K126 PolarHBondContact N-O 2.93Å; N122-K126 WeakPolarHBondContact OD1-CB 3.33Å; N122-K126 PolarHBondContact OD1-N 3Å; N122-K126 PolarHBondContact OD1-O 2.67Å | ||
| 123 | G | 95.2 | Very high | 95 | Very high | 22 Ų | 22 | 45.3 Ų | 45.3 | 23% | 0.227 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -26.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | C125 E341 | G123-C125 PolarHBondContact O-N 2.9Å; G123-C125 VanDerWaalsContact O-N 3.16Å; G123-E341 WeakPolarHBondContact CA-OE1 3.4Å |
| 124 | E | 95.8 | Very high | 95 | Very high | 130 Ų | 130 | 46.5 Ų | 46.5 | 61% | 0.607 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | 18.4 | -178.7 | -54.9 | 176.6 | 165 | 0 | 0 | 113.8 | N122 K126 | N122-E124 PolarHBondContact O-N 3.26Å; N122-E124 PolarHBondContact OD1-N 3.32Å; E124-K126 HydrophobicContact CB-CD 4.48Å; E124-K126 HydrophobicContact CB-CG 4.39Å; E124-K126 PolarHBondContact O-N 2.97Å; E124-K126 WeakPolarHBondContact OE2-CE 3.32Å; E124-K126 IonicContact OE2-NZ 2.81Å; E124-K126 PolarHBondContact OE2-NZ 2.86Å |
| 125 | C | 96.1 | Very high | 94.9 | Very high | 59 Ų | 59 | 46.3 Ų | 46.3 | 40% | 0.399 | 27% | 0.273 | S | S | . | . | S | Bend | trans | 56.3 | 23.1 | -171.2 | -61.1 | 0 | 0 | 0 | 0 | 115.1 | N122 G123 C355 | N122-C125 PolarHBondContact O-N 3.05Å; G123-C125 PolarHBondContact O-N 2.9Å; G123-C125 VanDerWaalsContact O-N 3.16Å; C125-C355 WeakPolarHBondContact CA-SG 3.28Å; C125-C355 HydrophobicContact CB-CB 3.62Å; C125-C355 WeakPolarHBondContact CB-SG 3.03Å; C125-C355 WeakPolarHBondContact SG-CA 3.4Å; C125-C355 WeakPolarHBondContact SG-CB 3.4Å; C125-C355 CovalentContact SG-SG 2.03Å; C125-C355 PolarHBondContact SG-SG 2.84Å |
| 126 | K | 96.8 | Very high | 94.9 | Very high | 127 Ų | 127 | 45.3 Ų | 45.3 | 55% | 0.552 | 27% | 0.266 | S | S | * | . | P | Polyproline II helix | trans | -91 | 122.9 | 174.4 | -62.9 | 174.5 | -178.6 | 156.8 | 0 | 109.9 | R121 N122 E124 | R121-K126 WeakPolarHBondContact CA-O 3.28Å; R121-K126 WeakPolarHBondContact CG-O 3.38Å; N122-K126 PolarHBondContact N-O 2.93Å; N122-K126 WeakPolarHBondContact OD1-CB 3.33Å; N122-K126 PolarHBondContact OD1-N 3Å; N122-K126 PolarHBondContact OD1-O 2.67Å; E124-K126 HydrophobicContact CB-CD 4.48Å; E124-K126 HydrophobicContact CB-CG 4.39Å; E124-K126 PolarHBondContact O-N 2.97Å; E124-K126 WeakPolarHBondContact OE2-CE 3.32Å; E124-K126 IonicContact OE2-NZ 2.81Å; E124-K126 PolarHBondContact OE2-NZ 2.86Å |
| 127 | F | 96.9 | Very high | 94.9 | Very high | 36 Ų | 36 | 45.8 Ų | 45.8 | 16% | 0.158 | 27% | 0.269 | C | S | . | . | B | Isolated β-bridge | trans | -86.6 | 137.6 | 173.6 | -68.1 | -95.6 | 0 | 0 | 0 | 109.8 | F119 L120 R121 T129 P356 P358 | F119-F127 HydrophobicContact CB-CD1 3.82Å; F119-F127 HydrophobicContact CB-CE1 4.01Å; F119-F127 HydrophobicContact CD1-CD1 4Å; F119-F127 HydrophobicContact CD2-CE1 4.38Å; F119-F127 AromaticContact CG-CD1 3.88Å; F119-F127 HydrophobicContact CG-CD1 3.88Å; F119-F127 HydrophobicContact CG-CE1 4.09Å; L120-F127 CarbonylContact O-C 3.43Å; L120-F127 WeakPolarHBondContact O-CA 3.48Å; R121-F127 HydrophobicContact CB-CD1 3.98Å; R121-F127 HydrophobicContact CB-CE1 4.06Å; R121-F127 HydrophobicContact CB-CG 4.47Å; R121-F127 HydrophobicContact CG-CD1 4.15Å; R121-F127 HydrophobicContact CG-CD2 4.32Å; R121-F127 HydrophobicContact CG-CE1 4.11Å; R121-F127 HydrophobicContact CG-CE2 4.27Å; R121-F127 HydrophobicContact CG-CG 4.27Å; R121-F127 HydrophobicContact CG-CZ 4.19Å; F127-T129 PolarHBondContact O-N 3.45Å; F127-P356 VanDerWaalsContact CE2-O 3.24Å; F127-P356 WeakPolarHBondContact CE2-O 2.96Å; F127-P356 WeakPolarHBondContact CZ-O 3.32Å; F127-P358 HydrophobicContact CD1-CG 4.44Å; F127-P358 HydrophobicContact CD2-CG 4.49Å; F127-P358 HydrophobicContact CG-CG 4.28Å |
| 128 | E | 95.1 | Very high | 94.9 | Very high | 67 Ų | 67 | 46.2 Ų | 46.2 | 31% | 0.313 | 27% | 0.271 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 122.4 | 172.7 | -177.8 | 51.3 | -101.7 | 0 | 0 | 109.2 | L120 N130 V131 | L120-E128 HydrophobicContact CB-CB 3.95Å; L120-E128 PolarHBondContact O-N 3.27Å; E128-N130 PolarHBondContact OE1-N 3.2Å; E128-V131 HydrophobicContact CB-CG2 4.1Å; E128-V131 HydrophobicContact CG-CG2 3.56Å |
| 129 | T | 91.4 | Very high | 94.8 | Very high | 110 Ų | 110 | 46.2 Ų | 46.2 | 68% | 0.675 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -101.5 | -7.8 | -176.9 | 56.8 | 0 | 0 | 0 | 0 | 112.7 | F127 Y134 | F127-T129 PolarHBondContact O-N 3.45Å; T129-Y134 CarbonylContact C-O 3.55Å |
| 130 | N | 90.9 | Very high | 94.7 | Very high | 105 Ų | 105 | 46.2 Ų | 46.2 | 56% | 0.561 | 27% | 0.27 | S | S | * | . | trans | -130.7 | 63.5 | -177 | -171 | 16.4 | 0 | 0 | 0 | 112.3 | E128 G132 G133 | E128-N130 PolarHBondContact OE1-N 3.2Å; N130-G132 PolarHBondContact O-N 3.4Å; N130-G133 WeakPolarHBondContact OD1-CA 3.4Å; N130-G133 PolarHBondContact OD1-N 3.45Å | ||
| 131 | V | 92.2 | Very high | 94.6 | Very high | 9 Ų | 9 | 47.4 Ų | 47.4 | 6% | 0.055 | 28% | 0.277 | C | S | . | . | B | Isolated β-bridge | trans | -82.9 | 84.6 | 168.8 | -170.3 | 0 | 0 | 0 | 0 | 108.6 | L120 E128 G133 Y134 L137 Y153 | L120-V131 HydrophobicContact CD1-CG2 4.01Å; E128-V131 HydrophobicContact CB-CG2 4.1Å; E128-V131 HydrophobicContact CG-CG2 3.56Å; V131-G133 VanDerWaalsContact C-N 3.28Å; V131-G133 PolarHBondContact O-N 2.82Å; V131-Y134 PolarHBondContact N-O 2.88Å; V131-Y134 PolarHBondContact O-N 2.88Å; V131-Y134 VanDerWaalsContact O-N 3.17Å; V131-L137 HydrophobicContact CG1-CB 3.86Å; V131-L137 HydrophobicContact CG1-CD1 3.49Å; V131-L137 VanDerWaalsContact CG1-CD1 3.49Å; V131-L137 HydrophobicContact CG1-CG 4.28Å; V131-Y153 HydrophobicContact CG1-CE2 4.24Å; V131-Y153 WeakPolarHBondContact CG1-OH 3.49Å |
| 132 | G | 85.3 | Confident | 94.5 | Very high | 61 Ų | 61 | 47.5 Ų | 47.5 | 63% | 0.629 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.8 | 29.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | N130 Y134 | N130-G132 PolarHBondContact O-N 3.4Å; G132-Y134 VanDerWaalsContact O-CD2 3.31Å; G132-Y134 WeakPolarHBondContact O-CD2 3.34Å; G132-Y134 WeakPolarHBondContact O-CE2 3.31Å |
| 133 | G | 91.4 | Very high | 94.4 | Very high | 53 Ų | 53 | 46.2 Ų | 46.2 | 55% | 0.546 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93 | 2.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | N130 V131 | N130-G133 WeakPolarHBondContact OD1-CA 3.4Å; N130-G133 PolarHBondContact OD1-N 3.45Å; V131-G133 VanDerWaalsContact C-N 3.28Å; V131-G133 PolarHBondContact O-N 2.82Å |
| 134 | Y | 96.2 | Very high | 94.2 | Very high | 73 Ų | 73 | 49 Ų | 49 | 29% | 0.286 | 27% | 0.272 | S | S | . | . | B | Isolated β-bridge | trans | -123.7 | 157.8 | -175.6 | -61.5 | -85 | 0 | 0 | 0 | 112.2 | T129 V131 G132 A136 L366 E367 P368 | T129-Y134 CarbonylContact C-O 3.55Å; V131-Y134 PolarHBondContact N-O 2.88Å; V131-Y134 PolarHBondContact O-N 2.88Å; V131-Y134 VanDerWaalsContact O-N 3.17Å; G132-Y134 VanDerWaalsContact O-CD2 3.31Å; G132-Y134 WeakPolarHBondContact O-CD2 3.34Å; G132-Y134 WeakPolarHBondContact O-CE2 3.31Å; Y134-A136 VanDerWaalsContact C-N 3.28Å; Y134-A136 PolarHBondContact O-N 2.98Å; Y134-L366 VanDerWaalsContact CE1-C 3.45Å; Y134-E367 HydrophobicContact CD2-CB 3.58Å; Y134-E367 HydrophobicContact CD2-CG 4.12Å; Y134-E367 HydrophobicContact CE1-CB 4.48Å; Y134-E367 HydrophobicContact CE2-CB 3.51Å; Y134-E367 HydrophobicContact CE2-CG 3.61Å; Y134-E367 HydrophobicContact CG-CB 4.14Å; Y134-E367 VanDerWaalsContact CZ-CA 3.44Å; Y134-P368 WeakPolarHBondContact OH-CD 3.18Å |
| 135 | P | 95.5 | Very high | 94 | Very high | 37 Ų | 37 | 45.2 Ų | 45.2 | 24% | 0.24 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -81.6 | -1.6 | -173.2 | 35.1 | -39.5 | 0 | 0 | 0 | 114.5 | F359 M365 | P135-F359 HydrophobicContact CB-CE1 4.17Å; P135-F359 HydrophobicContact CB-CZ 3.71Å; P135-F359 HydrophobicContact CG-CE1 4.48Å; P135-F359 HydrophobicContact CG-CE2 4.49Å; P135-F359 HydrophobicContact CG-CZ 3.67Å; P135-M365 WeakPolarHBondContact CD-O 3.48Å |
| 136 | A | 96.6 | Very high | 93.9 | Very high | 2 Ų | 2 | 42.4 Ų | 42.4 | 2% | 0.017 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -159.1 | 158.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | T118 F119 Y134 V361 L366 | T118-A136 WeakPolarHBondContact O-CB 3.39Å; F119-A136 HydrophobicContact CD1-CB 3.99Å; F119-A136 HydrophobicContact CE1-CB 4.16Å; Y134-A136 VanDerWaalsContact C-N 3.28Å; Y134-A136 PolarHBondContact O-N 2.98Å; A136-V361 HydrophobicContact CB-CG2 4.41Å; A136-L366 HydrophobicContact CB-CD2 3.79Å |
| 137 | L | 96.4 | Very high | 93.6 | Very high | 12 Ų | 12 | 38 Ų | 38 | 6% | 0.063 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 125.3 | -179.6 | -172.5 | 66 | 0 | 0 | 0 | 111 | P23 G117 T118 V131 T142 E149 Y153 F158 | P23-L137 HydrophobicContact CG-CD2 4.37Å; G117-L137 CarbonylContact C-O 3.19Å; G117-L137 WeakPolarHBondContact CA-O 3.48Å; T118-L137 PolarHBondContact N-O 3.47Å; T118-L137 PolarHBondContact O-N 3.34Å; V131-L137 HydrophobicContact CG1-CB 3.86Å; V131-L137 HydrophobicContact CG1-CD1 3.49Å; V131-L137 VanDerWaalsContact CG1-CD1 3.49Å; V131-L137 HydrophobicContact CG1-CG 4.28Å; L137-T142 HydrophobicContact CD1-CG2 3.86Å; L137-T142 HydrophobicContact CD2-CG2 3.74Å; L137-T142 HydrophobicContact CG-CG2 3.68Å; L137-E149 HydrophobicContact CD2-CB 4.46Å; L137-E149 HydrophobicContact CD2-CG 4.45Å; L137-Y153 HydrophobicContact CD1-CE2 4.27Å; L137-F158 HydrophobicContact CD2-CE1 3.54Å; L137-F158 HydrophobicContact CD2-CZ 3.61Å |
| 138 | R | 96.4 | Very high | 93.5 | Very high | 10 Ų | 10 | 38.7 Ų | 38.7 | 4% | 0.038 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 126.4 | -178.5 | -176 | 71.1 | -167.8 | -141.3 | 9.7 | 112.1 | S116 C140 N141 T142 S176 D177 S363 E367 | S116-R138 WeakPolarHBondContact O-CD 3.33Å; S116-R138 PolarHBondContact O-NE 3.15Å; R138-C140 WeakPolarHBondContact CG-SG 3.45Å; R138-C140 PolarHBondContact NE-SG 3.17Å; R138-C140 VanDerWaalsContact NE-SG 3.38Å; R138-N141 HydrophobicContact CB-CB 4.45Å; R138-N141 PolarHBondContact O-N 3.21Å; R138-T142 WeakPolarHBondContact O-CG2 3.41Å; R138-S176 PolarHBondContact NH2-OG 2.82Å; R138-D177 IonicContact CZ-OD1 3.41Å; R138-D177 IonicContact CZ-OD2 3.41Å; R138-D177 IonicContact NE-OD1 3.77Å; R138-D177 PolarHBondContact NE-OD1 2.95Å; R138-D177 IonicContact NE-OD2 2.76Å; R138-D177 PolarHBondContact NE-OD2 3.14Å; R138-D177 VanDerWaalsContact NH2-CG 3.35Å; R138-D177 IonicContact NH2-OD1 2.86Å; R138-D177 PolarHBondContact NH2-OD1 2.99Å; R138-D177 IonicContact NH2-OD2 3.35Å; R138-D177 PolarHBondContact NH2-OD2 2.78Å; R138-S363 PolarHBondContact NH1-O 3.08Å; R138-E367 HydrophobicContact CB-CB 4.14Å; R138-E367 WeakPolarHBondContact CD-O 3.48Å; R138-E367 WeakPolarHBondContact CG-O 3.25Å |
| 139 | L | 95.9 | Very high | 93.4 | Very high | 7 Ų | 7 | 36 Ų | 36 | 4% | 0.037 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -62.8 | -49.3 | -177.5 | 179.5 | 60.7 | 0 | 0 | 0 | 112.5 | N22 V114 S116 N141 T142 W143 D177 | N22-L139 HydrophobicContact CB-CD1 4.25Å; V114-L139 HydrophobicContact CG1-CD2 3.35Å; S116-L139 PolarHBondContact O-N 2.89Å; L139-N141 PolarHBondContact O-N 3.39Å; L139-T142 PolarHBondContact O-N 2.96Å; L139-T142 PolarHBondContact O-OG1 3.28Å; L139-W143 HydrophobicContact CD1-CE3 4.29Å; L139-W143 HydrophobicContact CD1-CH2 3.64Å; L139-W143 HydrophobicContact CD1-CZ2 4.02Å; L139-W143 HydrophobicContact CD1-CZ3 3.76Å; L139-W143 HydrophobicContact CD2-CH2 3.64Å; L139-W143 HydrophobicContact CD2-CZ2 3.73Å; L139-W143 HydrophobicContact CG-CH2 3.63Å; L139-W143 HydrophobicContact CG-CZ2 3.56Å; L139-W143 HydrophobicContact CG-CZ3 4.24Å; L139-D177 HydrophobicContact CB-CB 4.12Å; L139-D177 HydrophobicContact CD2-CB 4.1Å; L139-D177 HydrophobicContact CG-CB 4.29Å |
| 140 | C | 95.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -60 | -20.7 | -177.7 | 61.9 | 0 | 0 | 0 | 0 | 114.9 | R138 D177 A181 R190 C369 | R138-C140 WeakPolarHBondContact CG-SG 3.45Å; R138-C140 PolarHBondContact NE-SG 3.17Å; R138-C140 VanDerWaalsContact NE-SG 3.38Å; C140-D177 HydrophobicContact CB-CB 4.14Å; C140-D177 VanDerWaalsContact CB-OD1 3.27Å; C140-D177 WeakPolarHBondContact CB-OD1 3.2Å; C140-D177 PolarHBondContact N-OD1 3.13Å; C140-D177 PolarHBondContact SG-OD1 3.49Å; C140-A181 HydrophobicContact CB-CB 3.68Å; C140-R190 PolarHBondContact O-NH1 3.16Å; C140-R190 PolarHBondContact O-NH2 2.91Å; C140-C369 HydrophobicContact CB-CB 3.87Å; C140-C369 WeakPolarHBondContact CB-SG 3.36Å; C140-C369 WeakPolarHBondContact SG-CA 3.31Å; C140-C369 WeakPolarHBondContact SG-CB 3.44Å; C140-C369 CovalentContact SG-SG 2.02Å; C140-C369 PolarHBondContact SG-SG 3.11Å |
| 141 | N | 94.6 | Very high | 93.6 | Very high | 26 Ų | 26 | 33 Ų | 33 | 14% | 0.139 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -93.1 | -0.5 | 178.5 | -67.2 | -16.3 | 0 | 0 | 0 | 113.1 | R138 L139 E367 P368 C369 I370 | R138-N141 HydrophobicContact CB-CB 4.45Å; R138-N141 PolarHBondContact O-N 3.21Å; L139-N141 PolarHBondContact O-N 3.39Å; N141-E367 PolarHBondContact ND2-OE2 2.99Å; N141-P368 PolarHBondContact ND2-O 3.14Å; N141-C369 WeakPolarHBondContact OD1-CA 3.29Å; N141-I370 PolarHBondContact OD1-N 3.31Å |
| 142 | T | 94.3 | Very high | 93.7 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.7 | -1.9 | -175.7 | 58.7 | 0 | 0 | 0 | 0 | 114.5 | P23 L137 R138 L139 W144 N145 E149 | P23-T142 HydrophobicContact CG-CG2 4.35Å; L137-T142 HydrophobicContact CD1-CG2 3.86Å; L137-T142 HydrophobicContact CD2-CG2 3.74Å; L137-T142 HydrophobicContact CG-CG2 3.68Å; R138-T142 WeakPolarHBondContact O-CG2 3.41Å; L139-T142 PolarHBondContact O-N 2.96Å; L139-T142 PolarHBondContact O-OG1 3.28Å; T142-W144 PolarHBondContact O-N 3.01Å; T142-N145 PolarHBondContact O-N 3.45Å; T142-E149 HydrophobicContact CG2-CG 3.92Å |
| 143 | W | 93.6 | Very high | 94.1 | Very high | 23 Ų | 23 | 38.5 Ų | 38.5 | 9% | 0.087 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | 124.3 | 176.4 | -61.5 | 128.6 | 0 | 0 | 0 | 111.4 | E21 N22 L139 N145 L178 A181 V182 F183 | E21-W143 HydrophobicContact CG-CE3 4.32Å; E21-W143 CarbonylContact O-C 3.53Å; E21-W143 VanDerWaalsContact O-CA 3.31Å; E21-W143 WeakPolarHBondContact O-CA 3.43Å; E21-W143 WeakPolarHBondContact OE1-CZ3 3.44Å; E21-W143 WeakPolarHBondContact OE2-CZ3 3.38Å; N22-W143 HydrophobicContact CB-CE3 4.01Å; N22-W143 HydrophobicContact CB-CZ3 3.88Å; L139-W143 HydrophobicContact CD1-CE3 4.29Å; L139-W143 HydrophobicContact CD1-CH2 3.64Å; L139-W143 HydrophobicContact CD1-CZ2 4.02Å; L139-W143 HydrophobicContact CD1-CZ3 3.76Å; L139-W143 HydrophobicContact CD2-CH2 3.64Å; L139-W143 HydrophobicContact CD2-CZ2 3.73Å; L139-W143 HydrophobicContact CG-CH2 3.63Å; L139-W143 HydrophobicContact CG-CZ2 3.56Å; L139-W143 HydrophobicContact CG-CZ3 4.24Å; W143-N145 PolarHBondContact O-N 3.4Å; W143-N145 VanDerWaalsContact O-N 3.13Å; W143-L178 HydrophobicContact CH2-CD2 3.61Å; W143-L178 HydrophobicContact CZ2-CD2 3.58Å; W143-A181 PolarHBondContact NE1-O 3.16Å; W143-A181 VanDerWaalsContact NE1-O 3.13Å; W143-V182 HydrophobicContact CZ2-CG2 4.08Å; W143-F183 HydrophobicContact CB-CB 3.83Å; W143-F183 HydrophobicContact CG-CB 4.15Å |
| 144 | W | 91.9 | Very high | 94.2 | Very high | 81 Ų | 81 | 37.3 Ų | 37.3 | 31% | 0.307 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.1 | 15.4 | -177.9 | -58.4 | 91 | 0 | 0 | 0 | 115.2 | R18 N20 E21 T142 F183 | R18-W144 HydrophobicContact CB-CH2 4.36Å; R18-W144 HydrophobicContact CG-CH2 4.4Å; N20-W144 HydrophobicContact CB-CE3 4.34Å; N20-W144 HydrophobicContact CB-CZ3 4.46Å; N20-W144 WeakPolarHBondContact O-CA 3.13Å; E21-W144 HydrophobicContact CB-CH2 4.42Å; E21-W144 HydrophobicContact CB-CZ2 4.1Å; E21-W144 HydrophobicContact CG-CZ2 4.05Å; E21-W144 PolarHBondContact O-N 3.21Å; T142-W144 PolarHBondContact O-N 3.01Å; W144-F183 AromaticContact CD1-CD1 3.3Å; W144-F183 AromaticContact CD1-CD2 3.75Å; W144-F183 AromaticContact CD1-CE1 3.72Å; W144-F183 AromaticContact CD1-CG 3.29Å; W144-F183 HydrophobicContact CG-CD1 4.35Å; W144-F183 HydrophobicContact CG-CE1 4.42Å; W144-F183 HydrophobicContact CG-CG 4.44Å; W144-F183 AromaticContact NE1-CD1 3.11Å; W144-F183 AromaticContact NE1-CE1 3.65Å; W144-F183 AromaticContact NE1-CG 3.54Å |
| 145 | N | 91.8 | Very high | 94.2 | Very high | 50 Ų | 50 | 34.4 Ų | 34.4 | 27% | 0.267 | 17% | 0.165 | S | C | . | . | trans | -111 | 20.6 | 170.6 | -158.1 | 34.1 | 0 | 0 | 0 | 112.3 | T142 W143 Q147 D148 E149 | T142-N145 PolarHBondContact O-N 3.45Å; W143-N145 PolarHBondContact O-N 3.4Å; W143-N145 VanDerWaalsContact O-N 3.13Å; N145-Q147 VanDerWaalsContact C-N 3.31Å; N145-Q147 PolarHBondContact O-N 3.09Å; N145-D148 PolarHBondContact O-N 3.26Å; N145-D148 WeakPolarHBondContact OD1-CB 3.47Å; N145-D148 PolarHBondContact OD1-OD2 3.38Å; N145-E149 PolarHBondContact ND2-OE1 3.47Å; N145-E149 WeakPolarHBondContact O-CG 3.05Å; N145-E149 PolarHBondContact O-N 3.13Å | ||
| 146 | A | 93 | Very high | 94.2 | Very high | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.008 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -55.4 | -43.1 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | N20 N22 L26 L150 | N20-A146 WeakPolarHBondContact O-CB 3.37Å; N22-A146 VanDerWaalsContact C-CB 3.4Å; N22-A146 WeakPolarHBondContact O-CB 3.49Å; L26-A146 HydrophobicContact CB-CB 3.85Å; L26-A146 HydrophobicContact CD2-CB 3.66Å; L26-A146 HydrophobicContact CG-CB 4.4Å; A146-L150 WeakPolarHBondContact O-CD1 3.38Å; A146-L150 PolarHBondContact O-N 2.78Å |
| 147 | Q | 92 | Very high | 94.3 | Very high | 35 Ų | 35 | 36.9 Ų | 36.9 | 16% | 0.164 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.6 | -49.4 | -178.6 | -178.2 | 73.6 | 15.5 | 0 | 0 | 112 | T10 S12 L26 N145 E149 L150 Q151 | T10-Q147 WeakPolarHBondContact O-CB 3.46Å; T10-Q147 WeakPolarHBondContact O-CG 3.4Å; S12-Q147 PolarHBondContact OG-OE1 3.29Å; L26-Q147 HydrophobicContact CD2-CB 4.37Å; N145-Q147 VanDerWaalsContact C-N 3.31Å; N145-Q147 PolarHBondContact O-N 3.09Å; Q147-E149 VanDerWaalsContact C-N 3.3Å; Q147-E149 PolarHBondContact O-N 2.98Å; Q147-L150 PolarHBondContact O-N 3.02Å; Q147-Q151 HydrophobicContact CG-CG 4.48Å; Q147-Q151 WeakPolarHBondContact O-CG 3.09Å; Q147-Q151 PolarHBondContact O-N 3.39Å |
| 148 | D | 92.9 | Very high | 94.3 | Very high | 50 Ų | 50 | 36.3 Ų | 36.3 | 27% | 0.267 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -64.5 | -39.2 | -174.6 | -69.1 | 8.6 | 0 | 0 | 0 | 110.5 | N145 Q151 R152 | N145-D148 PolarHBondContact O-N 3.26Å; N145-D148 WeakPolarHBondContact OD1-CB 3.47Å; N145-D148 PolarHBondContact OD1-OD2 3.38Å; D148-Q151 PolarHBondContact O-N 3.03Å; D148-R152 WeakPolarHBondContact O-CB 3.49Å; D148-R152 PolarHBondContact O-N 2.96Å |
| 149 | E | 94 | Very high | 94.3 | Very high | 10 Ų | 10 | 36 Ų | 36 | 5% | 0.047 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -67.2 | -38.7 | 175.4 | -60.8 | -53.8 | 144.8 | 0 | 0 | 112.1 | P23 L137 T142 N145 Q147 R152 Y153 F158 | P23-E149 HydrophobicContact CB-CB 4.42Å; P23-E149 HydrophobicContact CG-CB 3.86Å; P23-E149 HydrophobicContact CG-CG 4.16Å; L137-E149 HydrophobicContact CD2-CB 4.46Å; L137-E149 HydrophobicContact CD2-CG 4.45Å; T142-E149 HydrophobicContact CG2-CG 3.92Å; N145-E149 PolarHBondContact ND2-OE1 3.47Å; N145-E149 WeakPolarHBondContact O-CG 3.05Å; N145-E149 PolarHBondContact O-N 3.13Å; Q147-E149 VanDerWaalsContact C-N 3.3Å; Q147-E149 PolarHBondContact O-N 2.98Å; E149-R152 PolarHBondContact O-N 2.97Å; E149-R152 IonicContact OE1-CZ 3.95Å; E149-R152 IonicContact OE1-NH1 2.66Å; E149-R152 PolarHBondContact OE1-NH1 3.43Å; E149-R152 IonicContact OE1-NH2 2.88Å; E149-R152 IonicContact OE2-CZ 3.9Å; E149-R152 IonicContact OE2-NH1 3.69Å; E149-R152 PolarHBondContact OE2-NH1 3.36Å; E149-Y153 WeakPolarHBondContact O-CD2 3.3Å; E149-Y153 PolarHBondContact O-N 3.4Å; E149-Y153 VanDerWaalsContact OE2-CE2 3.32Å; E149-Y153 WeakPolarHBondContact OE2-CE2 3.46Å; E149-F158 HydrophobicContact CB-CZ 4.08Å |
| 150 | L | 93.3 | Very high | 94.4 | Very high | 13 Ų | 13 | 36 Ų | 36 | 7% | 0.068 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66.2 | -37.4 | 174.3 | -97.4 | 75.7 | 0 | 0 | 0 | 112.4 | P23 L26 L30 A146 Q147 R152 G154 M155 F158 | P23-L150 HydrophobicContact CB-CD1 3.57Å; P23-L150 VanDerWaalsContact O-CD1 3.31Å; P23-L150 WeakPolarHBondContact O-CD1 3.49Å; L26-L150 HydrophobicContact CB-CD1 4.48Å; L26-L150 HydrophobicContact CB-CD2 4.41Å; L26-L150 HydrophobicContact CD2-CD1 4.32Å; L26-L150 HydrophobicContact CD2-CD2 3.99Å; L26-L150 HydrophobicContact CG-CD2 3.9Å; L30-L150 HydrophobicContact CD1-CD2 3.52Å; A146-L150 WeakPolarHBondContact O-CD1 3.38Å; A146-L150 PolarHBondContact O-N 2.78Å; Q147-L150 PolarHBondContact O-N 3.02Å; L150-R152 VanDerWaalsContact C-N 3.32Å; L150-G154 WeakPolarHBondContact O-CA 3.42Å; L150-G154 PolarHBondContact O-N 3.23Å; L150-M155 HydrophobicContact CD2-CB 4.41Å; L150-M155 HydrophobicContact CD2-CG 4.49Å; L150-F158 HydrophobicContact CD1-CD2 4.09Å; L150-F158 HydrophobicContact CD1-CE2 3.94Å; L150-F158 HydrophobicContact CD1-CZ 4.49Å; L150-F158 HydrophobicContact CG-CD2 4.27Å; L150-F158 HydrophobicContact CG-CE2 4.3Å |
| 151 | Q | 93.2 | Very high | 94.5 | Very high | 139 Ų | 139 | 36 Ų | 36 | 65% | 0.65 | 17% | 0.17 | S | C | * | . | H | α-helix | trans | -67.7 | -34.7 | 174.5 | -74.5 | -179.4 | -10.6 | 0 | 0 | 111.9 | Q147 D148 | Q147-Q151 HydrophobicContact CG-CG 4.48Å; Q147-Q151 WeakPolarHBondContact O-CG 3.09Å; Q147-Q151 PolarHBondContact O-N 3.39Å; D148-Q151 PolarHBondContact O-N 3.03Å |
| 152 | R | 93.4 | Very high | 94.7 | Very high | 149 Ų | 149 | 38 Ų | 38 | 56% | 0.562 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -70.9 | -47.4 | 179.4 | -173.1 | -178.4 | -66.5 | 146.9 | 2.3 | 112.7 | D148 E149 L150 | D148-R152 WeakPolarHBondContact O-CB 3.49Å; D148-R152 PolarHBondContact O-N 2.96Å; E149-R152 PolarHBondContact O-N 2.97Å; E149-R152 IonicContact OE1-CZ 3.95Å; E149-R152 IonicContact OE1-NH1 2.66Å; E149-R152 PolarHBondContact OE1-NH1 3.43Å; E149-R152 IonicContact OE1-NH2 2.88Å; E149-R152 IonicContact OE2-CZ 3.9Å; E149-R152 IonicContact OE2-NH1 3.69Å; E149-R152 PolarHBondContact OE2-NH1 3.36Å; L150-R152 VanDerWaalsContact C-N 3.32Å |
| 153 | Y | 93.9 | Very high | 94.8 | Very high | 37 Ų | 37 | 38.4 Ų | 38.4 | 15% | 0.145 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -107.4 | -23.7 | -170.8 | -62 | -66.8 | 0 | 0 | 0 | 114.5 | L120 V131 L137 E149 Q157 F158 | L120-Y153 HydrophobicContact CD1-CD1 3.45Å; L120-Y153 VanDerWaalsContact CD1-CD1 3.45Å; L120-Y153 HydrophobicContact CD1-CD2 3.59Å; L120-Y153 HydrophobicContact CD1-CE1 3.83Å; L120-Y153 HydrophobicContact CD1-CE2 3.93Å; L120-Y153 HydrophobicContact CD1-CG 3.34Å; V131-Y153 HydrophobicContact CG1-CE2 4.24Å; V131-Y153 WeakPolarHBondContact CG1-OH 3.49Å; L137-Y153 HydrophobicContact CD1-CE2 4.27Å; E149-Y153 WeakPolarHBondContact O-CD2 3.3Å; E149-Y153 PolarHBondContact O-N 3.4Å; E149-Y153 VanDerWaalsContact OE2-CE2 3.32Å; E149-Y153 WeakPolarHBondContact OE2-CE2 3.46Å; Y153-Q157 PolarHBondContact O-NE2 3.02Å; Y153-F158 HydrophobicContact CD2-CE2 4.45Å; Y153-F158 HydrophobicContact CD2-CZ 4.31Å |
| 154 | G | 93.8 | Very high | 95 | Very high | 28 Ų | 28 | 37.3 Ų | 37.3 | 29% | 0.289 | 18% | 0.178 | S | C | . | . | trans | 85.9 | 142 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113 | L150 D156 Q157 F158 | L150-G154 WeakPolarHBondContact O-CA 3.42Å; L150-G154 PolarHBondContact O-N 3.23Å; G154-D156 VanDerWaalsContact C-N 3.33Å; G154-D156 PolarHBondContact O-N 2.9Å; G154-Q157 PolarHBondContact O-N 2.67Å; G154-F158 WeakPolarHBondContact O-CD2 3.39Å | ||
| 155 | M | 95.6 | Very high | 95.3 | Very high | 12 Ų | 12 | 34.4 Ų | 34.4 | 6% | 0.059 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.2 | -39.7 | -177.8 | -172.5 | -171.7 | 73.2 | 0 | 0 | 113.1 | L30 M31 R34 L150 Q157 F158 I159 T335 | L30-M155 HydrophobicContact CB-SD 3.76Å; L30-M155 HydrophobicContact CD1-SD 4.48Å; M31-M155 HydrophobicContact CG-CE 4.25Å; M31-M155 HydrophobicContact CG-SD 4.21Å; R34-M155 VanDerWaalsContact NH1-CE 3.25Å; L150-M155 HydrophobicContact CD2-CB 4.41Å; L150-M155 HydrophobicContact CD2-CG 4.49Å; M155-Q157 PolarHBondContact O-N 3.43Å; M155-F158 WeakPolarHBondContact O-CB 3.17Å; M155-F158 PolarHBondContact O-N 3.46Å; M155-F158 VanDerWaalsContact O-N 3.12Å; M155-I159 HydrophobicContact CE-CD1 3.89Å; M155-I159 HydrophobicContact CG-CD1 3.79Å; M155-I159 HydrophobicContact CG-CG1 4.48Å; M155-I159 WeakPolarHBondContact O-CG1 3.31Å; M155-I159 PolarHBondContact O-N 2.9Å; M155-I159 HydrophobicContact SD-CD1 4.27Å; M155-T335 HydrophobicContact CE-CG2 3.63Å |
| 156 | D | 97 | Very high | 95.6 | Very high | 33 Ų | 33 | 35.1 Ų | 35.1 | 18% | 0.176 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.8 | -34.7 | -175.7 | -61.9 | 7.5 | 0 | 0 | 0 | 110.8 | G154 I159 L160 H336 I337 | G154-D156 VanDerWaalsContact C-N 3.33Å; G154-D156 PolarHBondContact O-N 2.9Å; D156-I159 PolarHBondContact O-N 3.38Å; D156-L160 WeakPolarHBondContact O-CB 3.49Å; D156-L160 WeakPolarHBondContact O-CG 3.49Å; D156-L160 PolarHBondContact O-N 3.01Å; D156-H336 WeakPolarHBondContact OD2-CB 3.28Å; D156-H336 IonicContact OD2-CG 2.71Å; D156-H336 PolarHBondContact OD2-N 3.32Å; D156-H336 IonicContact OD2-ND1 3.24Å; D156-H336 PolarHBondContact OD2-ND1 3.41Å; D156-I337 HydrophobicContact CB-CD1 4.3Å; D156-I337 HydrophobicContact CB-CG1 4.08Å |
| 157 | Q | 97.2 | Very high | 95.8 | Very high | 57 Ų | 57 | 37 Ų | 37 | 27% | 0.266 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -68.7 | -36.3 | 176.2 | -64.8 | -163.9 | 43 | 0 | 0 | 113.5 | L120 R121 Y153 G154 M155 G161 | L120-Q157 HydrophobicContact CB-CB 4.33Å; L120-Q157 HydrophobicContact CD2-CB 4.39Å; R121-Q157 PolarHBondContact N-O 3.16Å; R121-Q157 VanDerWaalsContact O-CA 3.29Å; R121-Q157 WeakPolarHBondContact O-CA 3.48Å; Y153-Q157 PolarHBondContact O-NE2 3.02Å; G154-Q157 PolarHBondContact O-N 2.67Å; M155-Q157 PolarHBondContact O-N 3.43Å; Q157-G161 PolarHBondContact O-N 3.32Å |
| 158 | F | 97.1 | Very high | 96 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.9 | -45.5 | 173.8 | -81.1 | -77.6 | 0 | 0 | 0 | 111.2 | P23 T118 L120 L137 E149 L150 Y153 G154 M155 G161 M162 | P23-F158 HydrophobicContact CB-CD1 4.01Å; P23-F158 HydrophobicContact CB-CE1 3.43Å; P23-F158 VanDerWaalsContact CB-CE1 3.43Å; P23-F158 HydrophobicContact CB-CE2 4.21Å; P23-F158 HydrophobicContact CB-CZ 3.56Å; P23-F158 HydrophobicContact CG-CE1 4.17Å; P23-F158 HydrophobicContact CG-CZ 4.18Å; T118-F158 HydrophobicContact CG2-CD1 4.43Å; L120-F158 HydrophobicContact CD2-CD1 3.58Å; L120-F158 HydrophobicContact CD2-CD2 4.01Å; L120-F158 HydrophobicContact CD2-CE1 3.59Å; L120-F158 HydrophobicContact CD2-CE2 4.01Å; L120-F158 HydrophobicContact CD2-CG 3.8Å; L120-F158 HydrophobicContact CD2-CZ 3.8Å; L137-F158 HydrophobicContact CD2-CE1 3.54Å; L137-F158 HydrophobicContact CD2-CZ 3.61Å; E149-F158 HydrophobicContact CB-CZ 4.08Å; L150-F158 HydrophobicContact CD1-CD2 4.09Å; L150-F158 HydrophobicContact CD1-CE2 3.94Å; L150-F158 HydrophobicContact CD1-CZ 4.49Å; L150-F158 HydrophobicContact CG-CD2 4.27Å; L150-F158 HydrophobicContact CG-CE2 4.3Å; Y153-F158 HydrophobicContact CD2-CE2 4.45Å; Y153-F158 HydrophobicContact CD2-CZ 4.31Å; G154-F158 WeakPolarHBondContact O-CD2 3.39Å; M155-F158 WeakPolarHBondContact O-CB 3.17Å; M155-F158 PolarHBondContact O-N 3.46Å; M155-F158 VanDerWaalsContact O-N 3.12Å; F158-G161 PolarHBondContact O-N 3.25Å; F158-M162 WeakPolarHBondContact O-CB 3.25Å; F158-M162 VanDerWaalsContact O-CG 3.3Å; F158-M162 WeakPolarHBondContact O-CG 3.07Å; F158-M162 PolarHBondContact O-N 3.42Å |
| 159 | I | 97.5 | Very high | 96 | Very high | 5 Ų | 5 | 39 Ų | 39 | 3% | 0.026 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.3 | -48 | -179 | -66.9 | 162.8 | 0 | 0 | 0 | 110.6 | M31 M155 D156 G161 M162 A163 I331 T335 I337 | M31-I159 HydrophobicContact CG-CD1 3.68Å; M31-I159 HydrophobicContact SD-CD1 3.31Å; M31-I159 WeakPolarHBondContact SD-CD1 3.35Å; M31-I159 HydrophobicContact SD-CG1 3.76Å; M155-I159 HydrophobicContact CE-CD1 3.89Å; M155-I159 HydrophobicContact CG-CD1 3.79Å; M155-I159 HydrophobicContact CG-CG1 4.48Å; M155-I159 WeakPolarHBondContact O-CG1 3.31Å; M155-I159 PolarHBondContact O-N 2.9Å; M155-I159 HydrophobicContact SD-CD1 4.27Å; D156-I159 PolarHBondContact O-N 3.38Å; I159-G161 VanDerWaalsContact C-N 3.31Å; I159-G161 PolarHBondContact O-N 2.97Å; I159-M162 HydrophobicContact CG1-CE 4.38Å; I159-M162 PolarHBondContact O-N 2.84Å; I159-A163 WeakPolarHBondContact O-CB 3.41Å; I159-A163 PolarHBondContact O-N 2.79Å; I159-I331 HydrophobicContact CG2-CD1 4.05Å; I159-I331 HydrophobicContact CG2-CG1 4.12Å; I159-I331 HydrophobicContact CG2-CG2 3.86Å; I159-T335 HydrophobicContact CD1-CG2 3.59Å; I159-I337 HydrophobicContact CB-CD1 4.01Å; I159-I337 HydrophobicContact CG2-CD1 3.73Å |
| 160 | L | 98 | Very high | 96 | Very high | 5 Ų | 5 | 39.6 Ų | 39.6 | 3% | 0.026 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.8 | -37.6 | 177.8 | -74 | 175.4 | 0 | 0 | 0 | 112.6 | R121 D156 S164 I337 E341 I342 | R121-L160 HydrophobicContact CB-CB 4.2Å; R121-L160 PolarHBondContact NE-O 3.49Å; R121-L160 WeakPolarHBondContact O-CB 3.38Å; R121-L160 WeakPolarHBondContact O-CD1 3.42Å; D156-L160 WeakPolarHBondContact O-CB 3.49Å; D156-L160 WeakPolarHBondContact O-CG 3.49Å; D156-L160 PolarHBondContact O-N 3.01Å; L160-S164 WeakPolarHBondContact O-CB 3.28Å; L160-S164 PolarHBondContact O-N 2.93Å; L160-S164 VanDerWaalsContact O-N 3.15Å; L160-S164 PolarHBondContact O-OG 3.06Å; L160-I337 HydrophobicContact CD1-CD1 4.41Å; L160-I337 HydrophobicContact CD1-CG1 4.08Å; L160-I337 HydrophobicContact CD2-CB 4.48Å; L160-I337 HydrophobicContact CD2-CD1 3.91Å; L160-I337 HydrophobicContact CD2-CG1 4.03Å; L160-I337 HydrophobicContact CD2-CG2 3.63Å; L160-I337 HydrophobicContact CG-CD1 3.72Å; L160-I337 HydrophobicContact CG-CG1 3.9Å; L160-I337 HydrophobicContact CG-CG2 4.43Å; L160-E341 HydrophobicContact CD2-CB 4.3Å; L160-I342 HydrophobicContact CD2-CB 4.28Å |
| 161 | G | 97.4 | Very high | 96 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.5 | -49.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | F119 Q157 F158 I159 A163 S164 Q165 | F119-G161 VanDerWaalsContact O-CA 3.3Å; F119-G161 WeakPolarHBondContact O-CA 3.02Å; Q157-G161 PolarHBondContact O-N 3.32Å; F158-G161 PolarHBondContact O-N 3.25Å; I159-G161 VanDerWaalsContact C-N 3.31Å; I159-G161 PolarHBondContact O-N 2.97Å; G161-A163 PolarHBondContact O-N 2.98Å; G161-S164 PolarHBondContact O-N 3.35Å; G161-Q165 WeakPolarHBondContact O-CB 3.11Å; G161-Q165 PolarHBondContact O-N 3.1Å |
| 162 | M | 97.2 | Very high | 96.1 | Very high | 69 Ų | 69 | 35.9 Ų | 35.9 | 34% | 0.34 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -62.1 | -40.7 | 176.3 | -72.6 | -173.1 | -66.2 | 0 | 0 | 112.7 | Q24 T118 F158 I159 S164 Q165 | Q24-M162 HydrophobicContact CB-CE 4.32Å; Q24-M162 HydrophobicContact CB-SD 3.44Å; Q24-M162 WeakPolarHBondContact CB-SD 3.5Å; Q24-M162 HydrophobicContact CG-CG 4.2Å; Q24-M162 HydrophobicContact CG-SD 3.53Å; Q24-M162 VanDerWaalsContact CG-SD 3.53Å; T118-M162 HydrophobicContact CG2-CG 4.14Å; F158-M162 WeakPolarHBondContact O-CB 3.25Å; F158-M162 VanDerWaalsContact O-CG 3.3Å; F158-M162 WeakPolarHBondContact O-CG 3.07Å; F158-M162 PolarHBondContact O-N 3.42Å; I159-M162 HydrophobicContact CG1-CE 4.38Å; I159-M162 PolarHBondContact O-N 2.84Å; M162-S164 VanDerWaalsContact C-N 3.32Å; M162-S164 PolarHBondContact O-N 2.89Å; M162-Q165 PolarHBondContact O-N 3.28Å |
| 163 | A | 97.6 | Very high | 96.1 | Very high | 9 Ų | 9 | 34.8 Ų | 34.8 | 7% | 0.074 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.9 | -34.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | I159 G161 I342 Q343 | I159-A163 WeakPolarHBondContact O-CB 3.41Å; I159-A163 PolarHBondContact O-N 2.79Å; G161-A163 PolarHBondContact O-N 2.98Å; A163-I342 HydrophobicContact CB-CD1 3.72Å; A163-I342 HydrophobicContact CB-CG1 3.89Å; A163-Q343 PolarHBondContact O-NE2 3.43Å |
| 164 | S | 98 | Very high | 96.2 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -83.2 | -23.3 | 177.8 | -71.7 | 0 | 0 | 0 | 0 | 113.8 | R121 L160 G161 M162 C355 | R121-S164 PolarHBondContact NE-OG 2.62Å; R121-S164 PolarHBondContact NH2-OG 3.18Å; L160-S164 WeakPolarHBondContact O-CB 3.28Å; L160-S164 PolarHBondContact O-N 2.93Å; L160-S164 VanDerWaalsContact O-N 3.15Å; L160-S164 PolarHBondContact O-OG 3.06Å; G161-S164 PolarHBondContact O-N 3.35Å; M162-S164 VanDerWaalsContact C-N 3.32Å; M162-S164 PolarHBondContact O-N 2.89Å; S164-C355 VanDerWaalsContact CB-O 3.23Å; S164-C355 WeakPolarHBondContact CB-O 3.37Å; S164-C355 PolarHBondContact OG-O 3.36Å |
| 165 | Q | 97.6 | Very high | 96.4 | Very high | 21 Ų | 21 | 33.2 Ų | 33.2 | 10% | 0.098 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -84.8 | 133.8 | -173.9 | -176.7 | 172.7 | -10.2 | 0 | 0 | 111.9 | G117 T118 F119 G161 M162 | G117-Q165 PolarHBondContact O-NE2 3.33Å; T118-Q165 VanDerWaalsContact CA-OE1 3.27Å; F119-Q165 HydrophobicContact CD2-CB 4.07Å; F119-Q165 HydrophobicContact CD2-CG 3.92Å; F119-Q165 HydrophobicContact CE2-CG 4.43Å; G161-Q165 WeakPolarHBondContact O-CB 3.11Å; G161-Q165 PolarHBondContact O-N 3.1Å; M162-Q165 PolarHBondContact O-N 3.28Å |
| 166 | I | 97.3 | Very high | 96.4 | Very high | 65 Ų | 65 | 34.1 Ų | 34.1 | 33% | 0.333 | 17% | 0.173 | S | C | . | . | P | Polyproline II helix | trans | -81.6 | 131.7 | 171.4 | -51.3 | -60.6 | 0 | 0 | 0 | 108.9 | W349 Q357 Q360 | I166-W349 HydrophobicContact CD1-CB 3.75Å; I166-W349 HydrophobicContact CD1-CE3 4.44Å; I166-W349 HydrophobicContact CD1-CG 4.48Å; I166-Q357 HydrophobicContact CG1-CG 4.4Å; I166-Q360 PolarHBondContact O-NE2 2.76Å |
| 167 | A | 97.2 | Very high | 96.3 | Very high | 40 Ų | 40 | 32.6 Ų | 32.6 | 33% | 0.331 | 17% | 0.165 | S | C | . | . | P | Polyproline II helix | trans | -61.2 | 170.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | M113 Q360 | M113-A167 HydrophobicContact CB-CB 4.2Å; M113-A167 HydrophobicContact CE-CB 4.38Å; M113-A167 WeakPolarHBondContact O-CB 3.42Å; A167-Q360 PolarHBondContact O-NE2 3.06Å |
| 168 | E | 96.3 | Very high | 96.3 | Very high | 50 Ų | 50 | 30.1 Ų | 30.1 | 23% | 0.234 | 15% | 0.154 | C | C | . | . | P | Polyproline II helix | trans | -69.5 | 158 | 169.4 | -68.8 | -66.9 | 119.2 | 0 | 0 | 111.2 | T112 M113 V114 P115 V175 Q360 | T112-E168 WeakPolarHBondContact O-CB 3.5Å; M113-E168 PolarHBondContact O-N 3.48Å; V114-E168 WeakPolarHBondContact O-CG 3.46Å; P115-E168 HydrophobicContact CB-CG 4.22Å; E168-V175 HydrophobicContact CG-CG1 3.94Å; E168-Q360 PolarHBondContact OE1-NE2 2.74Å |
| 169 | E | 93.7 | Very high | 96.2 | Very high | 78 Ų | 78 | 35 Ų | 35 | 36% | 0.364 | 17% | 0.172 | S | C | . | . | P | Polyproline II helix | trans | -64.1 | 137.1 | 179.5 | -174 | 164 | 172.5 | 0 | 0 | 110.7 | D171 R265 | E169-D171 HydrophobicContact CG-CB 4.33Å; E169-D171 PolarHBondContact O-N 2.93Å; E169-R265 HydrophobicContact CG-CB 4.32Å; E169-R265 HydrophobicContact CG-CG 3.82Å; E169-R265 WeakPolarHBondContact OE1-CD 3.18Å; E169-R265 VanDerWaalsContact OE1-CG 3.31Å; E169-R265 WeakPolarHBondContact OE1-CG 3.42Å; E169-R265 IonicContact OE1-CZ 3.77Å; E169-R265 IonicContact OE1-NE 2.82Å; E169-R265 PolarHBondContact OE1-NE 2.86Å; E169-R265 IonicContact OE1-NH2 3.64Å; E169-R265 PolarHBondContact OE1-NH2 3.26Å; E169-R265 IonicContact OE2-CZ 2.75Å; E169-R265 IonicContact OE2-NE 2.96Å; E169-R265 PolarHBondContact OE2-NE 2.99Å; E169-R265 IonicContact OE2-NH2 3.58Å; E169-R265 PolarHBondContact OE2-NH2 2.92Å; E169-R265 VanDerWaalsContact OE2-NH2 3.1Å |
| 170 | E | 94.5 | Very high | 96.1 | Very high | 22 Ų | 22 | 38.5 Ų | 38.5 | 10% | 0.103 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -78.6 | 73.5 | 179.5 | -57.4 | 95.2 | 153.3 | 0 | 0 | 112.3 | Y109 M113 F262 R266 | Y109-E170 HydrophobicContact CE2-CB 4.18Å; Y109-E170 WeakPolarHBondContact OH-CB 3.41Å; Y109-E170 VanDerWaalsContact OH-CG 3.22Å; Y109-E170 WeakPolarHBondContact OH-CG 3.46Å; M113-E170 HydrophobicContact CE-CG 4.4Å; M113-E170 HydrophobicContact CG-CG 3.52Å; M113-E170 HydrophobicContact SD-CG 3.95Å; E170-F262 WeakPolarHBondContact O-CB 3.3Å; E170-R266 IonicContact OE1-NH1 3.31Å; E170-R266 PolarHBondContact OE1-NH1 3.43Å |
| 171 | D | 93.6 | Very high | 95.9 | Very high | 26 Ų | 26 | 38.6 Ų | 38.6 | 14% | 0.139 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -128 | -161.2 | -177.2 | 68.2 | 24.8 | 0 | 0 | 0 | 112.2 | T112 E169 F173 F262 | T112-D171 WeakPolarHBondContact CG2-O 3.38Å; E169-D171 HydrophobicContact CG-CB 4.33Å; E169-D171 PolarHBondContact O-N 2.93Å; D171-F173 VanDerWaalsContact C-N 3.3Å; D171-F173 WeakPolarHBondContact OD1-CA 3.37Å; D171-F173 VanDerWaalsContact OD1-CB 3.31Å; D171-F173 WeakPolarHBondContact OD1-CB 3.46Å; D171-F173 WeakPolarHBondContact OD1-CD2 3.15Å; D171-F173 PolarHBondContact OD1-N 2.97Å; D171-F173 WeakPolarHBondContact OD2-CD2 3.29Å; D171-F262 HydrophobicContact CB-CD2 4.04Å; D171-F262 HydrophobicContact CB-CE1 4.5Å; D171-F262 HydrophobicContact CB-CE2 3.77Å; D171-F262 HydrophobicContact CB-CZ 4.01Å |
| 172 | R | 93.8 | Very high | 95.7 | Very high | 48 Ų | 48 | 39 Ų | 39 | 18% | 0.181 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -78.6 | -9.7 | -179.6 | 67.6 | 173.7 | 178.6 | -177.8 | -7.9 | 114.1 | H230 D234 I259 L260 F262 | R172-H230 VanDerWaalsContact CZ-NE2 3.33Å; R172-H230 PolarHBondContact NE-NE2 3.35Å; R172-H230 PolarHBondContact NH1-CE1 3.45Å; R172-H230 VanDerWaalsContact NH1-CE1 3.28Å; R172-D234 IonicContact CZ-OD2 2.62Å; R172-D234 VanDerWaalsContact CZ-OD2 3.24Å; R172-D234 IonicContact NH1-OD2 3.49Å; R172-D234 PolarHBondContact NH1-OD2 3.07Å; R172-D234 IonicContact NH2-OD2 3.07Å; R172-D234 PolarHBondContact NH2-OD2 2.7Å; R172-I259 HydrophobicContact CB-CG2 4.39Å; R172-L260 HydrophobicContact CB-CD2 3.99Å; R172-F262 HydrophobicContact CB-CE1 4.22Å |
| 173 | F | 94.6 | Very high | 95.5 | Very high | 125 Ų | 125 | 38.8 Ų | 38.8 | 55% | 0.548 | 19% | 0.192 | S | C | . | . | trans | -87.1 | 143.4 | -176 | -62.7 | -69.4 | 0 | 0 | 0 | 110.5 | D171 | D171-F173 VanDerWaalsContact C-N 3.3Å; D171-F173 WeakPolarHBondContact OD1-CA 3.37Å; D171-F173 VanDerWaalsContact OD1-CB 3.31Å; D171-F173 WeakPolarHBondContact OD1-CB 3.46Å; D171-F173 WeakPolarHBondContact OD1-CD2 3.15Å; D171-F173 PolarHBondContact OD1-N 2.97Å; D171-F173 WeakPolarHBondContact OD2-CD2 3.29Å | ||
| 174 | I | 96.1 | Very high | 95.2 | Very high | 17 Ų | 17 | 38.4 Ų | 38.4 | 9% | 0.087 | 19% | 0.189 | C | C | . | . | trans | -131.1 | 129.2 | 175.8 | -65.5 | 171.2 | 0 | 0 | 0 | 105.9 | T112 L178 R179 T194 Y255 | T112-I174 HydrophobicContact CG2-CG1 4.47Å; I174-L178 HydrophobicContact CG2-CB 3.65Å; I174-L178 HydrophobicContact CG2-CD1 4.06Å; I174-L178 HydrophobicContact CG2-CG 4.47Å; I174-R179 HydrophobicContact CG2-CB 4.27Å; I174-T194 HydrophobicContact CD1-CG2 3.94Å; I174-T194 WeakPolarHBondContact CD1-OG1 3.3Å; I174-Y255 WeakPolarHBondContact CD1-OH 3.26Å | ||
| 175 | V | 96.9 | Very high | 94.7 | Very high | 16 Ų | 16 | 42 Ų | 42 | 10% | 0.097 | 21% | 0.213 | C | C | . | . | trans | -56 | 148.6 | -178.5 | -65.8 | 0 | 0 | 0 | 0 | 111.7 | V114 S116 E168 D177 L178 R179 | V114-V175 VanDerWaalsContact O-CG1 3.29Å; V114-V175 WeakPolarHBondContact O-CG1 3.3Å; V114-V175 VanDerWaalsContact O-CG2 3.22Å; V114-V175 WeakPolarHBondContact O-CG2 3.47Å; S116-V175 WeakPolarHBondContact OG-CB 3.47Å; S116-V175 WeakPolarHBondContact OG-CG1 3.15Å; E168-V175 HydrophobicContact CG-CG1 3.94Å; V175-D177 HydrophobicContact CG2-CB 4.05Å; V175-D177 PolarHBondContact O-N 3.23Å; V175-D177 VanDerWaalsContact O-N 3.13Å; V175-L178 HydrophobicContact CG2-CB 4.41Å; V175-L178 HydrophobicContact CG2-CD1 4.25Å; V175-L178 HydrophobicContact CG2-CG 4.04Å; V175-L178 PolarHBondContact O-N 3.06Å; V175-R179 PolarHBondContact O-N 3.47Å | ||
| 176 | S | 95.5 | Very high | 94 | Very high | 31 Ų | 31 | 46.8 Ų | 46.8 | 22% | 0.217 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.1 | -24 | -179.5 | 56.7 | 0 | 0 | 0 | 0 | 112.9 | R138 L178 R179 D180 A181 | R138-S176 PolarHBondContact NH2-OG 2.82Å; S176-L178 PolarHBondContact O-N 2.77Å; S176-R179 PolarHBondContact O-N 3.04Å; S176-D180 VanDerWaalsContact CB-OD2 3.28Å; S176-D180 WeakPolarHBondContact CB-OD2 3.48Å; S176-D180 CarbonylContact O-C 3.5Å; S176-D180 WeakPolarHBondContact O-CA 3.42Å; S176-D180 WeakPolarHBondContact O-CB 3.3Å; S176-D180 PolarHBondContact O-N 3.1Å; S176-A181 PolarHBondContact O-N 3Å |
| 177 | D | 96.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -57.8 | -31.6 | 173.5 | -61.3 | -102.4 | 0 | 0 | 0 | 113.4 | S116 R138 L139 C140 V175 A181 V182 | S116-D177 WeakPolarHBondContact CA-OD2 3.39Å; S116-D177 WeakPolarHBondContact CB-OD2 3.42Å; S116-D177 PolarHBondContact OG-OD2 2.86Å; R138-D177 IonicContact CZ-OD1 3.41Å; R138-D177 IonicContact CZ-OD2 3.41Å; R138-D177 IonicContact NE-OD1 3.77Å; R138-D177 PolarHBondContact NE-OD1 2.95Å; R138-D177 IonicContact NE-OD2 2.76Å; R138-D177 PolarHBondContact NE-OD2 3.14Å; R138-D177 VanDerWaalsContact NH2-CG 3.35Å; R138-D177 IonicContact NH2-OD1 2.86Å; R138-D177 PolarHBondContact NH2-OD1 2.99Å; R138-D177 IonicContact NH2-OD2 3.35Å; R138-D177 PolarHBondContact NH2-OD2 2.78Å; L139-D177 HydrophobicContact CB-CB 4.12Å; L139-D177 HydrophobicContact CD2-CB 4.1Å; L139-D177 HydrophobicContact CG-CB 4.29Å; C140-D177 HydrophobicContact CB-CB 4.14Å; C140-D177 VanDerWaalsContact CB-OD1 3.27Å; C140-D177 WeakPolarHBondContact CB-OD1 3.2Å; C140-D177 PolarHBondContact N-OD1 3.13Å; C140-D177 PolarHBondContact SG-OD1 3.49Å; V175-D177 HydrophobicContact CG2-CB 4.05Å; V175-D177 PolarHBondContact O-N 3.23Å; V175-D177 VanDerWaalsContact O-N 3.13Å; D177-A181 CarbonylContact O-C 3.56Å; D177-V182 PolarHBondContact O-N 2.58Å |
| 178 | L | 96.3 | Very high | 93.3 | Very high | 5 Ų | 5 | 51 Ų | 51 | 3% | 0.026 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -99.5 | -42.9 | 176 | -63.4 | 180 | 0 | 0 | 0 | 111.8 | H111 V114 W143 I174 V175 S176 V182 L193 | H111-L178 HydrophobicContact CB-CD1 4.16Å; H111-L178 WeakPolarHBondContact O-CD1 3.26Å; V114-L178 HydrophobicContact CB-CD1 3.63Å; V114-L178 HydrophobicContact CG1-CD1 3.92Å; V114-L178 HydrophobicContact CG1-CG 4.32Å; V114-L178 HydrophobicContact CG2-CD1 3.91Å; W143-L178 HydrophobicContact CH2-CD2 3.61Å; W143-L178 HydrophobicContact CZ2-CD2 3.58Å; I174-L178 HydrophobicContact CG2-CB 3.65Å; I174-L178 HydrophobicContact CG2-CD1 4.06Å; I174-L178 HydrophobicContact CG2-CG 4.47Å; V175-L178 HydrophobicContact CG2-CB 4.41Å; V175-L178 HydrophobicContact CG2-CD1 4.25Å; V175-L178 HydrophobicContact CG2-CG 4.04Å; V175-L178 PolarHBondContact O-N 3.06Å; S176-L178 PolarHBondContact O-N 2.77Å; L178-V182 HydrophobicContact CD2-CG2 4.47Å; L178-L193 HydrophobicContact CB-CB 4.24Å; L178-L193 HydrophobicContact CB-CD2 4.09Å; L178-L193 HydrophobicContact CD1-CD2 4.22Å; L178-L193 HydrophobicContact CD2-CD2 3.71Å; L178-L193 HydrophobicContact CG-CD2 4.23Å; L178-L193 WeakPolarHBondContact O-CB 3.13Å; L178-L193 PolarHBondContact O-N 3.25Å |
| 179 | R | 95.4 | Very high | 93.2 | Very high | 102 Ų | 102 | 49.5 Ų | 49.5 | 39% | 0.385 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -74.7 | -30.8 | -174.7 | -170.9 | 174.6 | 57.7 | 63.5 | 14.3 | 113.3 | I174 V175 S176 D192 | I174-R179 HydrophobicContact CG2-CB 4.27Å; V175-R179 PolarHBondContact O-N 3.47Å; S176-R179 PolarHBondContact O-N 3.04Å; R179-D192 WeakPolarHBondContact O-CA 3.42Å; R179-D192 WeakPolarHBondContact O-CB 3.03Å; R179-D192 VanDerWaalsContact O-OD1 3.12Å |
| 180 | D | 94.1 | Very high | 93.2 | Very high | 80 Ų | 80 | 46.9 Ų | 46.9 | 43% | 0.428 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -121.9 | -25.6 | -175.4 | -53.5 | -44.4 | 0 | 0 | 0 | 112.4 | S176 R191 | S176-D180 VanDerWaalsContact CB-OD2 3.28Å; S176-D180 WeakPolarHBondContact CB-OD2 3.48Å; S176-D180 CarbonylContact O-C 3.5Å; S176-D180 WeakPolarHBondContact O-CA 3.42Å; S176-D180 WeakPolarHBondContact O-CB 3.3Å; S176-D180 PolarHBondContact O-N 3.1Å; D180-R191 CarbonylContact C-O 3.41Å |
| 181 | A | 94.8 | Very high | 93.2 | Very high | 6 Ų | 6 | 50.1 Ų | 50.1 | 5% | 0.05 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -129.9 | 21.7 | -166.3 | 0 | 0 | 0 | 0 | 0 | 116 | C140 W143 S176 D177 R190 C369 | C140-A181 HydrophobicContact CB-CB 3.68Å; W143-A181 PolarHBondContact NE1-O 3.16Å; W143-A181 VanDerWaalsContact NE1-O 3.13Å; S176-A181 PolarHBondContact O-N 3Å; D177-A181 CarbonylContact O-C 3.56Å; A181-R190 WeakPolarHBondContact O-CD 3.43Å; A181-R190 PolarHBondContact O-NH1 3.38Å; A181-C369 HydrophobicContact CB-CB 4.13Å |
| 182 | V | 93.7 | Very high | 93.4 | Very high | 9 Ų | 9 | 51.1 Ų | 51.1 | 6% | 0.055 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 148.2 | 173.9 | 85 | 0 | 0 | 0 | 0 | 110.4 | W143 D177 L178 G184 R190 R191 L193 L196 | W143-V182 HydrophobicContact CZ2-CG2 4.08Å; D177-V182 PolarHBondContact O-N 2.58Å; L178-V182 HydrophobicContact CD2-CG2 4.47Å; V182-G184 PolarHBondContact O-N 3Å; V182-R190 CarbonylContact O-C 3.59Å; V182-R190 VanDerWaalsContact O-CA 3.22Å; V182-R190 WeakPolarHBondContact O-CA 3.07Å; V182-R191 HydrophobicContact CG1-CB 4Å; V182-R191 WeakPolarHBondContact CG1-O 3.32Å; V182-R191 PolarHBondContact N-O 3.48Å; V182-R191 PolarHBondContact O-N 3.35Å; V182-L193 HydrophobicContact CB-CB 4.33Å; V182-L193 HydrophobicContact CG1-CB 4.07Å; V182-L196 HydrophobicContact CG1-CD1 4.5Å |
| 183 | F | 92.4 | Very high | 93.5 | Very high | 65 Ų | 65 | 50 Ų | 50 | 29% | 0.285 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.7 | 134.7 | -178.9 | 175.9 | -102.5 | 0 | 0 | 0 | 114.1 | W143 W144 P185 R191 | W143-F183 HydrophobicContact CB-CB 3.83Å; W143-F183 HydrophobicContact CG-CB 4.15Å; W144-F183 AromaticContact CD1-CD1 3.3Å; W144-F183 AromaticContact CD1-CD2 3.75Å; W144-F183 AromaticContact CD1-CE1 3.72Å; W144-F183 AromaticContact CD1-CG 3.29Å; W144-F183 HydrophobicContact CG-CD1 4.35Å; W144-F183 HydrophobicContact CG-CE1 4.42Å; W144-F183 HydrophobicContact CG-CG 4.44Å; W144-F183 AromaticContact NE1-CD1 3.11Å; W144-F183 AromaticContact NE1-CE1 3.65Å; W144-F183 AromaticContact NE1-CG 3.54Å; F183-P185 HydrophobicContact CE1-CB 3.75Å; F183-P185 HydrophobicContact CE1-CG 4.48Å; F183-P185 HydrophobicContact CZ-CB 4.3Å; F183-R191 PolarHBondContact O-NE 2.8Å; F183-R191 PolarHBondContact O-NH2 3.27Å |
| 184 | G | 91.7 | Very high | 93.5 | Very high | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | trans | -114 | 116 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | V182 F188 S189 | V182-G184 PolarHBondContact O-N 3Å; G184-F188 CarbonylContact C-O 3.54Å; G184-F188 WeakPolarHBondContact CA-O 3.02Å; G184-S189 PolarHBondContact N-O 3.4Å | ||
| 185 | P | 86.3 | Confident | 93.6 | Very high | 76 Ų | 76 | 47.5 Ų | 47.5 | 49% | 0.494 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -82.9 | -11.5 | -175.5 | 29.1 | -33.7 | 0 | 0 | 0 | 115.1 | F183 R191 | F183-P185 HydrophobicContact CE1-CB 3.75Å; F183-P185 HydrophobicContact CE1-CG 4.48Å; F183-P185 HydrophobicContact CZ-CB 4.3Å; P185-R191 VanDerWaalsContact CD-CZ 3.44Å; P185-R191 VanDerWaalsContact CD-NH2 3.34Å |
| 186 | M | 84.3 | Confident | 93.5 | Very high | 120 Ų | 120 | 49.5 Ų | 49.5 | 59% | 0.591 | 25% | 0.25 | S | C | * | . | S | Bend | trans | -110.2 | -125 | -170.6 | -63.4 | -170.1 | -65.2 | 0 | 0 | 111.1 | F188 H375 | M186-F188 PolarHBondContact O-N 3.46Å; M186-H375 PolarHBondContact O-CD2 3.35Å |
| 187 | H | 87.4 | Confident | 93.6 | Very high | 101 Ų | 101 | 48 Ų | 48 | 47% | 0.468 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -67.2 | -15.6 | -175.1 | -59.2 | -53.4 | 0 | 0 | 0 | 115 | R374 H375 H377 | H187-R374 CarbonylContact O-C 3.43Å; H187-R374 VanDerWaalsContact O-CA 3.29Å; H187-R374 WeakPolarHBondContact O-CA 3.5Å; H187-R374 VanDerWaalsContact O-CG 3.31Å; H187-R374 WeakPolarHBondContact O-CG 3.39Å; H187-H375 PolarHBondContact O-N 3.41Å; H187-H377 AromaticContact ND1-NE2 3.85Å |
| 188 | F | 92.7 | Very high | 93.7 | Very high | 94 Ų | 94 | 49.6 Ų | 49.6 | 41% | 0.412 | 25% | 0.248 | S | C | . | . | B | Isolated β-bridge | trans | -132.5 | 135.1 | -174.2 | -58.6 | -62.1 | 0 | 0 | 0 | 109.4 | G184 M186 R190 F372 M373 R374 | G184-F188 CarbonylContact C-O 3.54Å; G184-F188 WeakPolarHBondContact CA-O 3.02Å; M186-F188 PolarHBondContact O-N 3.46Å; F188-R190 PolarHBondContact O-N 3.36Å; F188-F372 HydrophobicContact CB-CE2 3.68Å; F188-F372 HydrophobicContact CB-CZ 3.86Å; F188-F372 AromaticContact CD1-CE1 3.68Å; F188-F372 HydrophobicContact CD1-CE1 3.68Å; F188-F372 AromaticContact CD1-CE2 3.8Å; F188-F372 HydrophobicContact CD1-CE2 3.8Å; F188-F372 AromaticContact CD1-CZ 3.03Å; F188-F372 HydrophobicContact CD1-CZ 3.03Å; F188-F372 HydrophobicContact CD2-CZ 4.47Å; F188-F372 HydrophobicContact CE1-CE1 4.05Å; F188-F372 AromaticContact CE1-CZ 3.55Å; F188-F372 HydrophobicContact CE1-CZ 3.55Å; F188-F372 AromaticContact CG-CE2 3.86Å; F188-F372 HydrophobicContact CG-CE2 3.86Å; F188-F372 AromaticContact CG-CZ 3.55Å; F188-F372 HydrophobicContact CG-CZ 3.55Å; F188-F372 HydrophobicContact CZ-CZ 4.45Å; F188-M373 WeakPolarHBondContact CA-O 3.42Å; F188-R374 HydrophobicContact CD1-CB 4.3Å; F188-R374 HydrophobicContact CD1-CG 4.17Å; F188-R374 HydrophobicContact CE1-CB 4.43Å; F188-R374 HydrophobicContact CE1-CG 4.04Å |
| 189 | S | 92.9 | Very high | 93.7 | Very high | 18 Ų | 18 | 54.5 Ų | 54.5 | 13% | 0.126 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -69.9 | -22.9 | 179.8 | 65.7 | 0 | 0 | 0 | 0 | 112.9 | G184 M373 | G184-S189 PolarHBondContact N-O 3.4Å; S189-M373 PolarHBondContact N-O 2.86Å; S189-M373 PolarHBondContact OG-N 3.28Å; S189-M373 PolarHBondContact OG-O 2.91Å |
| 190 | R | 94.7 | Very high | 93.8 | Very high | 22 Ų | 22 | 55.3 Ų | 55.3 | 8% | 0.083 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 153.3 | -179.8 | -50.8 | -63.3 | -172.5 | 175.7 | -1.2 | 112.1 | C140 A181 V182 F188 I370 F372 | C140-R190 PolarHBondContact O-NH1 3.16Å; C140-R190 PolarHBondContact O-NH2 2.91Å; A181-R190 WeakPolarHBondContact O-CD 3.43Å; A181-R190 PolarHBondContact O-NH1 3.38Å; V182-R190 CarbonylContact O-C 3.59Å; V182-R190 VanDerWaalsContact O-CA 3.22Å; V182-R190 WeakPolarHBondContact O-CA 3.07Å; F188-R190 PolarHBondContact O-N 3.36Å; R190-I370 PolarHBondContact NE-O 3.37Å; R190-F372 HydrophobicContact CB-CD2 4.02Å |
| 191 | R | 94.6 | Very high | 94 | Very high | 91 Ų | 91 | 51.9 Ų | 51.9 | 34% | 0.343 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 173 | 176.4 | -63.1 | -177.2 | -63.3 | 174.7 | -1.8 | 110.9 | D180 V182 F183 P185 L196 | D180-R191 CarbonylContact C-O 3.41Å; V182-R191 HydrophobicContact CG1-CB 4Å; V182-R191 WeakPolarHBondContact CG1-O 3.32Å; V182-R191 PolarHBondContact N-O 3.48Å; V182-R191 PolarHBondContact O-N 3.35Å; F183-R191 PolarHBondContact O-NE 2.8Å; F183-R191 PolarHBondContact O-NH2 3.27Å; P185-R191 VanDerWaalsContact CD-CZ 3.44Å; P185-R191 VanDerWaalsContact CD-NH2 3.34Å; R191-L196 HydrophobicContact CB-CD1 3.88Å |
| 192 | D | 96.3 | Very high | 94.1 | Very high | 47 Ų | 47 | 57.8 Ų | 57.8 | 25% | 0.251 | 28% | 0.279 | S | S | . | . | trans | -101 | 111.5 | 171.3 | 176.3 | -5.3 | 0 | 0 | 0 | 110.7 | R179 T194 S195 L196 | R179-D192 WeakPolarHBondContact O-CA 3.42Å; R179-D192 WeakPolarHBondContact O-CB 3.03Å; R179-D192 VanDerWaalsContact O-OD1 3.12Å; D192-T194 VanDerWaalsContact C-N 3.28Å; D192-T194 PolarHBondContact O-N 3.07Å; D192-T194 WeakPolarHBondContact OD1-CA 3.31Å; D192-T194 WeakPolarHBondContact OD1-CB 3.32Å; D192-T194 PolarHBondContact OD1-N 2.89Å; D192-T194 PolarHBondContact OD1-OG1 2.89Å; D192-S195 PolarHBondContact O-N 3.03Å; D192-S195 PolarHBondContact OD1-N 3.24Å; D192-S195 VanDerWaalsContact OD1-N 3.13Å; D192-S195 VanDerWaalsContact OD2-CB 3.31Å; D192-S195 WeakPolarHBondContact OD2-CB 3.28Å; D192-S195 PolarHBondContact OD2-OG 3.01Å; D192-L196 WeakPolarHBondContact O-CB 3.47Å; D192-L196 WeakPolarHBondContact O-CG 3.22Å; D192-L196 PolarHBondContact O-N 3.01Å | ||
| 193 | L | 96.2 | Very high | 94.3 | Very high | 24 Ų | 24 | 62.6 Ų | 62.6 | 13% | 0.126 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.3 | -30.3 | 179.5 | -173 | 59.6 | 0 | 0 | 0 | 113.2 | L178 V182 S197 | L178-L193 HydrophobicContact CB-CB 4.24Å; L178-L193 HydrophobicContact CB-CD2 4.09Å; L178-L193 HydrophobicContact CD1-CD2 4.22Å; L178-L193 HydrophobicContact CD2-CD2 3.71Å; L178-L193 HydrophobicContact CG-CD2 4.23Å; L178-L193 WeakPolarHBondContact O-CB 3.13Å; L178-L193 PolarHBondContact O-N 3.25Å; V182-L193 HydrophobicContact CB-CB 4.33Å; V182-L193 HydrophobicContact CG1-CB 4.07Å; L193-S197 WeakPolarHBondContact O-CB 3.02Å; L193-S197 PolarHBondContact O-N 2.86Å; L193-S197 PolarHBondContact O-OG 3.34Å |
| 194 | T | 95.9 | Very high | 94.5 | Very high | 30 Ų | 30 | 62.3 Ų | 62.3 | 18% | 0.184 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -68.6 | -51.8 | 178.8 | -47.4 | 0 | 0 | 0 | 0 | 109.4 | I174 D192 L196 S197 I198 Y255 | I174-T194 HydrophobicContact CD1-CG2 3.94Å; I174-T194 WeakPolarHBondContact CD1-OG1 3.3Å; D192-T194 VanDerWaalsContact C-N 3.28Å; D192-T194 PolarHBondContact O-N 3.07Å; D192-T194 WeakPolarHBondContact OD1-CA 3.31Å; D192-T194 WeakPolarHBondContact OD1-CB 3.32Å; D192-T194 PolarHBondContact OD1-N 2.89Å; D192-T194 PolarHBondContact OD1-OG1 2.89Å; T194-L196 VanDerWaalsContact C-N 3.3Å; T194-L196 PolarHBondContact O-N 3.46Å; T194-S197 WeakPolarHBondContact O-CB 3.49Å; T194-S197 PolarHBondContact O-N 3.47Å; T194-S197 VanDerWaalsContact O-N 3.08Å; T194-I198 WeakPolarHBondContact O-CG1 3.45Å; T194-I198 PolarHBondContact O-N 3.16Å; T194-Y255 HydrophobicContact CG2-CE1 3.97Å |
| 195 | S | 96.6 | Very high | 94.8 | Very high | 59 Ų | 59 | 65.1 Ų | 65.1 | 41% | 0.413 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -59.7 | -41 | 174.7 | -69.1 | 0 | 0 | 0 | 0 | 111.7 | D192 S197 I198 M199 | D192-S195 PolarHBondContact O-N 3.03Å; D192-S195 PolarHBondContact OD1-N 3.24Å; D192-S195 VanDerWaalsContact OD1-N 3.13Å; D192-S195 VanDerWaalsContact OD2-CB 3.31Å; D192-S195 WeakPolarHBondContact OD2-CB 3.28Å; D192-S195 PolarHBondContact OD2-OG 3.01Å; S195-S197 VanDerWaalsContact C-N 3.32Å; S195-S197 PolarHBondContact O-N 2.88Å; S195-I198 PolarHBondContact O-N 3.5Å; S195-M199 WeakPolarHBondContact O-CB 3.32Å; S195-M199 WeakPolarHBondContact O-CG 3.43Å; S195-M199 PolarHBondContact O-N 2.95Å |
| 196 | L | 96.2 | Very high | 95.3 | Very high | 58 Ų | 58 | 63 Ų | 63 | 30% | 0.304 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.7 | -35.9 | 174.5 | -73.8 | 171.1 | 0 | 0 | 0 | 112.8 | V182 R191 D192 T194 R200 | V182-L196 HydrophobicContact CG1-CD1 4.5Å; R191-L196 HydrophobicContact CB-CD1 3.88Å; D192-L196 WeakPolarHBondContact O-CB 3.47Å; D192-L196 WeakPolarHBondContact O-CG 3.22Å; D192-L196 PolarHBondContact O-N 3.01Å; T194-L196 VanDerWaalsContact C-N 3.3Å; T194-L196 PolarHBondContact O-N 3.46Å; L196-R200 VanDerWaalsContact O-CB 3.23Å; L196-R200 WeakPolarHBondContact O-CB 3.49Å; L196-R200 PolarHBondContact O-N 2.73Å |
| 197 | S | 97.2 | Very high | 96 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -70.1 | -41 | 178.5 | -61.1 | 0 | 0 | 0 | 0 | 111.5 | R108 L193 T194 S195 R200 G201 | R108-S197 PolarHBondContact NH1-OG 3.43Å; L193-S197 WeakPolarHBondContact O-CB 3.02Å; L193-S197 PolarHBondContact O-N 2.86Å; L193-S197 PolarHBondContact O-OG 3.34Å; T194-S197 WeakPolarHBondContact O-CB 3.49Å; T194-S197 PolarHBondContact O-N 3.47Å; T194-S197 VanDerWaalsContact O-N 3.08Å; S195-S197 VanDerWaalsContact C-N 3.32Å; S195-S197 PolarHBondContact O-N 2.88Å; S197-R200 PolarHBondContact O-N 3.06Å; S197-G201 PolarHBondContact O-N 3.26Å |
| 198 | I | 97.7 | Very high | 96.4 | Very high | 33 Ų | 33 | 57.4 Ų | 57.4 | 17% | 0.169 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.1 | -52 | 171.8 | -64.5 | 169.8 | 0 | 0 | 0 | 110.3 | T194 S195 R200 G201 R202 D253 Y255 V256 | T194-I198 WeakPolarHBondContact O-CG1 3.45Å; T194-I198 PolarHBondContact O-N 3.16Å; S195-I198 PolarHBondContact O-N 3.5Å; I198-R200 VanDerWaalsContact C-N 3.28Å; I198-R200 PolarHBondContact O-N 2.97Å; I198-G201 PolarHBondContact O-N 3.04Å; I198-G201 VanDerWaalsContact O-N 3.14Å; I198-R202 PolarHBondContact O-N 2.97Å; I198-R202 VanDerWaalsContact O-N 3.16Å; I198-D253 HydrophobicContact CG2-CB 4.36Å; I198-Y255 HydrophobicContact CG1-CD1 3.84Å; I198-Y255 HydrophobicContact CG1-CE1 4.42Å; I198-V256 HydrophobicContact CD1-CG2 3.68Å; I198-V256 HydrophobicContact CG1-CG2 3.76Å |
| 199 | M | 97.4 | Very high | 96.7 | Very high | 108 Ų | 108 | 52.9 Ų | 52.9 | 53% | 0.532 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.4 | -34.6 | -179.8 | -71.1 | -55.1 | -57.6 | 0 | 0 | 112.4 | S195 R202 D203 | S195-M199 WeakPolarHBondContact O-CB 3.32Å; S195-M199 WeakPolarHBondContact O-CG 3.43Å; S195-M199 PolarHBondContact O-N 2.95Å; M199-R202 PolarHBondContact O-N 3.41Å; M199-D203 VanDerWaalsContact O-CB 3.32Å; M199-D203 WeakPolarHBondContact O-CB 3.41Å; M199-D203 PolarHBondContact O-N 2.85Å |
| 200 | R | 96.5 | Very high | 96.9 | Very high | 120 Ų | 120 | 52.2 Ų | 52.2 | 45% | 0.453 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -65.9 | -39.7 | 174.8 | -173.2 | 61.5 | 63.2 | -172.7 | 6.6 | 111.8 | A104 L196 S197 I198 R202 D203 C204 | A104-R200 HydrophobicContact CB-CG 4.25Å; L196-R200 VanDerWaalsContact O-CB 3.23Å; L196-R200 WeakPolarHBondContact O-CB 3.49Å; L196-R200 PolarHBondContact O-N 2.73Å; S197-R200 PolarHBondContact O-N 3.06Å; I198-R200 VanDerWaalsContact C-N 3.28Å; I198-R200 PolarHBondContact O-N 2.97Å; R200-R202 VanDerWaalsContact C-N 3.29Å; R200-R202 PolarHBondContact O-N 3.32Å; R200-D203 IonicContact CZ-OD2 3.55Å; R200-D203 IonicContact NH1-OD2 2.84Å; R200-D203 PolarHBondContact NH1-OD2 3.32Å; R200-D203 PolarHBondContact O-N 3.06Å; R200-C204 WeakPolarHBondContact O-CB 3.45Å; R200-C204 PolarHBondContact O-N 3.35Å; R200-C204 PolarHBondContact O-SG 3.37Å |
| 201 | G | 97.9 | Very high | 97.1 | Very high | 8 Ų | 8 | 53.9 Ų | 53.9 | 8% | 0.082 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -58.2 | -43.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | S197 I198 C204 G205 L206 | S197-G201 PolarHBondContact O-N 3.26Å; I198-G201 PolarHBondContact O-N 3.04Å; I198-G201 VanDerWaalsContact O-N 3.14Å; G201-C204 PolarHBondContact O-N 3.41Å; G201-G205 PolarHBondContact O-N 3.06Å; G201-L206 WeakPolarHBondContact O-CB 3.35Å; G201-L206 WeakPolarHBondContact O-CG 3.41Å; G201-L206 PolarHBondContact O-N 3.29Å |
| 202 | R | 97.9 | Very high | 97.2 | Very high | 129 Ų | 129 | 49.9 Ų | 49.9 | 49% | 0.487 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -67.2 | -43.5 | 176.7 | -63.4 | 175.6 | -175.9 | 177.7 | 0.2 | 112.7 | I198 M199 R200 C204 G205 D253 | I198-R202 PolarHBondContact O-N 2.97Å; I198-R202 VanDerWaalsContact O-N 3.16Å; M199-R202 PolarHBondContact O-N 3.41Å; R200-R202 VanDerWaalsContact C-N 3.29Å; R200-R202 PolarHBondContact O-N 3.32Å; R202-C204 VanDerWaalsContact C-N 3.31Å; R202-C204 PolarHBondContact O-N 3.08Å; R202-G205 PolarHBondContact O-N 3.4Å; R202-D253 WeakPolarHBondContact CG-OD1 3.36Å; R202-D253 IonicContact CZ-OD1 3.55Å; R202-D253 IonicContact CZ-OD2 2.99Å; R202-D253 IonicContact NE-OD1 3.51Å; R202-D253 PolarHBondContact NE-OD1 2.95Å; R202-D253 IonicContact NE-OD2 3.54Å; R202-D253 IonicContact NH2-OD1 2.71Å; R202-D253 IonicContact NH2-OD2 3.46Å; R202-D253 PolarHBondContact NH2-OD2 2.97Å |
| 203 | D | 98.1 | Very high | 97.3 | Very high | 110 Ų | 110 | 48.1 Ų | 48.1 | 59% | 0.588 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -59.5 | -40.3 | 175.4 | 177.5 | 54.3 | 0 | 0 | 0 | 112 | M199 R200 G205 | M199-D203 VanDerWaalsContact O-CB 3.32Å; M199-D203 WeakPolarHBondContact O-CB 3.41Å; M199-D203 PolarHBondContact O-N 2.85Å; R200-D203 IonicContact CZ-OD2 3.55Å; R200-D203 IonicContact NH1-OD2 2.84Å; R200-D203 PolarHBondContact NH1-OD2 3.32Å; R200-D203 PolarHBondContact O-N 3.06Å; D203-G205 PolarHBondContact O-N 3.12Å |
| 204 | C | 96.8 | Very high | 97.4 | Very high | 60 Ų | 60 | 53.7 Ų | 53.7 | 41% | 0.405 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -3.5 | 174.4 | -66.2 | 0 | 0 | 0 | 0 | 114.1 | A104 R200 G201 R202 L206 | A104-C204 HydrophobicContact CB-CB 4.18Å; R200-C204 WeakPolarHBondContact O-CB 3.45Å; R200-C204 PolarHBondContact O-N 3.35Å; R200-C204 PolarHBondContact O-SG 3.37Å; G201-C204 PolarHBondContact O-N 3.41Å; R202-C204 VanDerWaalsContact C-N 3.31Å; R202-C204 PolarHBondContact O-N 3.08Å; C204-L206 HydrophobicContact CB-CD2 4.42Å; C204-L206 HydrophobicContact CB-CG 4.42Å |
| 205 | G | 97 | Very high | 97.5 | Very high | 60 Ų | 60 | 59 Ų | 59 | 62% | 0.619 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.4 | 35.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | G201 R202 D203 | G201-G205 PolarHBondContact O-N 3.06Å; R202-G205 PolarHBondContact O-N 3.4Å; D203-G205 PolarHBondContact O-N 3.12Å |
| 206 | L | 97.7 | Very high | 97.5 | Very high | 30 Ų | 30 | 57.2 Ų | 57.2 | 16% | 0.157 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -60.5 | 140.9 | 178.1 | -65.8 | -170.8 | 0 | 0 | 0 | 111.2 | P100 E101 A104 A105 G201 C204 A254 | P100-L206 HydrophobicContact CB-CD2 3.64Å; E101-L206 HydrophobicContact CB-CD2 4.29Å; A104-L206 HydrophobicContact CB-CD1 3.97Å; A104-L206 HydrophobicContact CB-CG 4.41Å; A105-L206 HydrophobicContact CB-CD1 3.75Å; G201-L206 WeakPolarHBondContact O-CB 3.35Å; G201-L206 WeakPolarHBondContact O-CG 3.41Å; G201-L206 PolarHBondContact O-N 3.29Å; C204-L206 HydrophobicContact CB-CD2 4.42Å; C204-L206 HydrophobicContact CB-CG 4.42Å; L206-A254 HydrophobicContact CD1-CB 4.26Å |
| 207 | P | 97.3 | Very high | 97.6 | Very high | 63 Ų | 63 | 61.2 Ų | 61.2 | 41% | 0.409 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 161.2 | 169 | -17.6 | 30 | 0 | 0 | 0 | 111.4 | L212 | P207-L212 HydrophobicContact CB-CD2 4.21Å; P207-L212 HydrophobicContact CB-CG 4.11Å; P207-L212 HydrophobicContact CG-CD2 3.87Å; P207-L212 HydrophobicContact CG-CG 4.3Å |
| 208 | D | 96.9 | Very high | 97.6 | Very high | 41 Ų | 41 | 61.8 Ų | 61.8 | 22% | 0.219 | 32% | 0.322 | C | S | . | . | B | Isolated β-bridge | trans | -61.9 | 161.1 | 170.8 | 71.4 | 86.8 | 0 | 0 | 0 | 111.3 | N210 S211 L212 N250 | D208-N210 PolarHBondContact O-N 2.99Å; D208-N210 PolarHBondContact OD1-N 3.07Å; D208-S211 PolarHBondContact O-N 3.36Å; D208-S211 PolarHBondContact OD1-N 3.45Å; D208-S211 PolarHBondContact OD1-OG 3.48Å; D208-S211 WeakPolarHBondContact OD2-CB 3.23Å; D208-S211 PolarHBondContact OD2-OG 3.4Å; D208-L212 PolarHBondContact O-N 3.46Å; D208-N250 WeakPolarHBondContact CB-O 3.37Å; D208-N250 VanDerWaalsContact CG-O 3.26Å |
| 209 | Y | 98 | Very high | 97.6 | Very high | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -56 | -44.1 | -175.9 | 167 | -109.6 | 0 | 0 | 0 | 114.1 | L212 R213 V221 I226 L252 G257 E261 L270 | Y209-L212 PolarHBondContact O-N 3.38Å; Y209-R213 HydrophobicContact CE2-CG 4.18Å; Y209-R213 VanDerWaalsContact CZ-CD 3.43Å; Y209-R213 WeakPolarHBondContact O-CG 3.45Å; Y209-R213 PolarHBondContact O-N 3.45Å; Y209-R213 WeakPolarHBondContact OH-CD 3.06Å; Y209-V221 HydrophobicContact CD1-CG2 4.41Å; Y209-V221 HydrophobicContact CE1-CG2 3.33Å; Y209-V221 WeakPolarHBondContact OH-CG2 3.11Å; Y209-I226 HydrophobicContact CE1-CD1 3.71Å; Y209-I226 HydrophobicContact CE1-CG1 4.25Å; Y209-I226 WeakPolarHBondContact OH-CG1 3.46Å; Y209-L252 VanDerWaalsContact CB-O 3.28Å; Y209-L252 WeakPolarHBondContact CB-O 3.19Å; Y209-L252 HydrophobicContact CD1-CD2 3.88Å; Y209-L252 HydrophobicContact CE1-CD2 4.35Å; Y209-L252 HydrophobicContact CG-CD2 4.24Å; Y209-L252 PolarHBondContact N-O 2.89Å; Y209-G257 VanDerWaalsContact CD2-CA 3.49Å; Y209-E261 HydrophobicContact CE2-CG 4.13Å; Y209-E261 WeakPolarHBondContact CE2-OE1 3.5Å; Y209-E261 VanDerWaalsContact CZ-OE1 3.23Å; Y209-E261 WeakPolarHBondContact OH-CG 3.31Å; Y209-E261 PolarHBondContact OH-OE1 3.46Å; Y209-L270 HydrophobicContact CD2-CD2 3.6Å; Y209-L270 HydrophobicContact CE2-CD2 3.64Å |
| 210 | N | 98.1 | Very high | 97.6 | Very high | 3 Ų | 3 | 65.3 Ų | 65.3 | 2% | 0.016 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -74.4 | -35 | -179.1 | -89.9 | -24.6 | 0 | 0 | 0 | 111.8 | D208 L212 R213 K214 E220 V221 N250 | D208-N210 PolarHBondContact O-N 2.99Å; D208-N210 PolarHBondContact OD1-N 3.07Å; N210-L212 VanDerWaalsContact C-N 3.33Å; N210-L212 PolarHBondContact O-N 2.89Å; N210-R213 WeakPolarHBondContact O-CB 3.35Å; N210-R213 PolarHBondContact O-N 3.49Å; N210-K214 WeakPolarHBondContact O-CB 3.4Å; N210-K214 PolarHBondContact O-N 2.98Å; N210-E220 HydrophobicContact CB-CG 4.34Å; N210-V221 PolarHBondContact ND2-O 3.13Å; N210-V221 PolarHBondContact OD1-N 2.99Å; N210-N250 WeakPolarHBondContact CB-OD1 3.47Å; N210-N250 PolarHBondContact ND2-OD1 2.79Å |
| 211 | S | 98 | Very high | 97.6 | Very high | 58 Ų | 58 | 60.3 Ų | 60.3 | 41% | 0.406 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -59.4 | -42.4 | 170.9 | -71.7 | 0 | 0 | 0 | 0 | 112.1 | D208 K214 F215 | D208-S211 PolarHBondContact O-N 3.36Å; D208-S211 PolarHBondContact OD1-N 3.45Å; D208-S211 PolarHBondContact OD1-OG 3.48Å; D208-S211 WeakPolarHBondContact OD2-CB 3.23Å; D208-S211 PolarHBondContact OD2-OG 3.4Å; S211-K214 PolarHBondContact O-N 2.92Å; S211-F215 PolarHBondContact O-N 2.88Å |
| 212 | L | 97.8 | Very high | 97.6 | Very high | 6 Ų | 6 | 63.4 Ų | 63.4 | 3% | 0.031 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -65.3 | -42.6 | 173.8 | -77.2 | -177 | 0 | 0 | 0 | 112.3 | E101 P207 D208 Y209 N210 K214 F215 F216 A254 L270 | E101-L212 HydrophobicContact CB-CD1 4.14Å; E101-L212 HydrophobicContact CB-CD2 4.13Å; E101-L212 HydrophobicContact CG-CD2 4.43Å; P207-L212 HydrophobicContact CB-CD2 4.21Å; P207-L212 HydrophobicContact CB-CG 4.11Å; P207-L212 HydrophobicContact CG-CD2 3.87Å; P207-L212 HydrophobicContact CG-CG 4.3Å; D208-L212 PolarHBondContact O-N 3.46Å; Y209-L212 PolarHBondContact O-N 3.38Å; N210-L212 VanDerWaalsContact C-N 3.33Å; N210-L212 PolarHBondContact O-N 2.89Å; L212-K214 VanDerWaalsContact C-N 3.31Å; L212-K214 PolarHBondContact O-N 3.44Å; L212-F215 PolarHBondContact O-N 3.32Å; L212-F216 WeakPolarHBondContact O-CD2 3.5Å; L212-F216 PolarHBondContact O-N 3.25Å; L212-A254 HydrophobicContact CD1-CB 3.38Å; L212-L270 HydrophobicContact CB-CD1 4.19Å; L212-L270 HydrophobicContact CB-CD2 4.39Å |
| 213 | R | 98.3 | Very high | 97.5 | Very high | 10 Ų | 10 | 58.7 Ų | 58.7 | 4% | 0.038 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -55.4 | -49.4 | 173.9 | -73.7 | -174.1 | 64.6 | 84.3 | -1.2 | 110.9 | Y209 N210 F215 F216 N217 L218 P219 E261 L270 | Y209-R213 HydrophobicContact CE2-CG 4.18Å; Y209-R213 VanDerWaalsContact CZ-CD 3.43Å; Y209-R213 WeakPolarHBondContact O-CG 3.45Å; Y209-R213 PolarHBondContact O-N 3.45Å; Y209-R213 WeakPolarHBondContact OH-CD 3.06Å; N210-R213 WeakPolarHBondContact O-CB 3.35Å; N210-R213 PolarHBondContact O-N 3.49Å; R213-F215 VanDerWaalsContact C-N 3.35Å; R213-F215 PolarHBondContact O-N 2.96Å; R213-F216 CarbonylContact O-C 3.58Å; R213-F216 PolarHBondContact O-N 3.16Å; R213-F216 VanDerWaalsContact O-N 3.16Å; R213-N217 PolarHBondContact O-N 3.25Å; R213-L218 CarbonylContact C-O 3.29Å; R213-L218 HydrophobicContact CB-CB 3.82Å; R213-L218 HydrophobicContact CG-CB 4.29Å; R213-L218 HydrophobicContact CG-CD1 4.26Å; R213-L218 WeakPolarHBondContact O-CA 3.24Å; R213-L218 VanDerWaalsContact O-CB 3.3Å; R213-L218 WeakPolarHBondContact O-CB 3.49Å; R213-L218 PolarHBondContact O-N 3.16Å; R213-P219 VanDerWaalsContact CZ-O 3.31Å; R213-P219 PolarHBondContact NE-O 3.04Å; R213-P219 PolarHBondContact NH2-O 2.71Å; R213-E261 IonicContact CZ-OE1 2.72Å; R213-E261 IonicContact NH1-OE1 3.53Å; R213-E261 PolarHBondContact NH1-OE1 3.38Å; R213-E261 IonicContact NH1-OE2 3.9Å; R213-E261 PolarHBondContact NH1-OE2 2.96Å; R213-L270 HydrophobicContact CG-CB 4.4Å; R213-L270 HydrophobicContact CG-CD1 4.18Å; R213-L270 HydrophobicContact CG-CD2 4.12Å; R213-L270 HydrophobicContact CG-CG 4.47Å |
| 214 | K | 97.9 | Very high | 97.4 | Very high | 142 Ų | 142 | 61.5 Ų | 61.5 | 62% | 0.617 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -58.6 | -44.5 | 177.7 | -173.6 | 176.2 | -179.4 | 175.2 | 0 | 112.3 | N210 S211 L212 F216 N217 | N210-K214 WeakPolarHBondContact O-CB 3.4Å; N210-K214 PolarHBondContact O-N 2.98Å; S211-K214 PolarHBondContact O-N 2.92Å; L212-K214 VanDerWaalsContact C-N 3.31Å; L212-K214 PolarHBondContact O-N 3.44Å; K214-F216 VanDerWaalsContact C-N 3.31Å; K214-F216 PolarHBondContact O-N 2.74Å; K214-N217 PolarHBondContact O-N 3.3Å |
| 215 | F | 97.1 | Very high | 97.4 | Very high | 142 Ų | 142 | 62.3 Ų | 62.3 | 62% | 0.623 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -57.9 | -42.4 | 176.5 | 179 | -94.2 | 0 | 0 | 0 | 112.2 | S211 L212 R213 N217 | S211-F215 PolarHBondContact O-N 2.88Å; L212-F215 PolarHBondContact O-N 3.32Å; R213-F215 VanDerWaalsContact C-N 3.35Å; R213-F215 PolarHBondContact O-N 2.96Å; F215-N217 PolarHBondContact O-N 3.15Å |
| 216 | F | 97.6 | Very high | 97.4 | Very high | 21 Ų | 21 | 59.8 Ų | 59.8 | 9% | 0.092 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | 19.1 | 176.2 | -75.5 | -79.2 | 0 | 0 | 0 | 113.9 | E101 L212 R213 K214 L218 L270 R273 I274 D277 | E101-F216 HydrophobicContact CG-CE2 4.06Å; E101-F216 HydrophobicContact CG-CZ 4.25Å; L212-F216 WeakPolarHBondContact O-CD2 3.5Å; L212-F216 PolarHBondContact O-N 3.25Å; R213-F216 CarbonylContact O-C 3.58Å; R213-F216 PolarHBondContact O-N 3.16Å; R213-F216 VanDerWaalsContact O-N 3.16Å; K214-F216 VanDerWaalsContact C-N 3.31Å; K214-F216 PolarHBondContact O-N 2.74Å; F216-L218 PolarHBondContact O-N 3.19Å; F216-L270 HydrophobicContact CD2-CD1 4.08Å; F216-R273 HydrophobicContact CB-CB 4.34Å; F216-R273 HydrophobicContact CD1-CB 4.16Å; F216-R273 HydrophobicContact CG-CB 4.4Å; F216-R273 PolarHBondContact O-NH1 3.37Å; F216-I274 HydrophobicContact CD2-CD1 4.44Å; F216-I274 HydrophobicContact CD2-CG1 3.82Å; F216-I274 HydrophobicContact CE1-CG1 4.18Å; F216-I274 HydrophobicContact CE2-CD1 4.1Å; F216-I274 HydrophobicContact CE2-CG1 3.39Å; F216-I274 HydrophobicContact CG-CG1 4.42Å; F216-I274 HydrophobicContact CZ-CB 4.34Å; F216-I274 HydrophobicContact CZ-CG1 3.59Å; F216-D277 HydrophobicContact CE1-CB 4.14Å |
| 217 | N | 97.7 | Very high | 97.3 | Very high | 142 Ų | 142 | 58.7 Ų | 58.7 | 76% | 0.759 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54 | 38.2 | -179.4 | -58.8 | -58.7 | 0 | 0 | 0 | 113.2 | R213 K214 F215 R273 | R213-N217 PolarHBondContact O-N 3.25Å; K214-N217 PolarHBondContact O-N 3.3Å; F215-N217 PolarHBondContact O-N 3.15Å; N217-R273 VanDerWaalsContact C-NH1 3.28Å; N217-R273 PolarHBondContact O-NH1 2.03Å |
| 218 | L | 97.8 | Very high | 97.2 | Very high | 11 Ų | 11 | 58.7 Ų | 58.7 | 6% | 0.058 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -99.9 | 146.4 | 170.2 | -75.3 | 166.5 | 0 | 0 | 0 | 110 | R213 F216 D269 L270 R273 | R213-L218 CarbonylContact C-O 3.29Å; R213-L218 HydrophobicContact CB-CB 3.82Å; R213-L218 HydrophobicContact CG-CB 4.29Å; R213-L218 HydrophobicContact CG-CD1 4.26Å; R213-L218 WeakPolarHBondContact O-CA 3.24Å; R213-L218 VanDerWaalsContact O-CB 3.3Å; R213-L218 WeakPolarHBondContact O-CB 3.49Å; R213-L218 PolarHBondContact O-N 3.16Å; F216-L218 PolarHBondContact O-N 3.19Å; L218-D269 HydrophobicContact CD1-CB 4.27Å; L218-D269 HydrophobicContact CD2-CB 3.79Å; L218-L270 VanDerWaalsContact CD1-CA 3.5Å; L218-L270 HydrophobicContact CD1-CB 3.9Å; L218-L270 HydrophobicContact CD1-CD1 4.07Å; L218-R273 VanDerWaalsContact CD2-NE 3.27Å; L218-R273 VanDerWaalsContact CD2-NH2 3.31Å; L218-R273 VanDerWaalsContact CG-CZ 3.48Å |
| 219 | P | 97.3 | Very high | 97.1 | Very high | 93 Ų | 93 | 63 Ų | 63 | 60% | 0.604 | 32% | 0.323 | S | S | * | . | P | Polyproline II helix | trans | -65.2 | 141 | 172.8 | 28.6 | -33.7 | 0 | 0 | 0 | 109.8 | R213 | R213-P219 VanDerWaalsContact CZ-O 3.31Å; R213-P219 PolarHBondContact NE-O 3.04Å; R213-P219 PolarHBondContact NH2-O 2.71Å |
| 220 | E | 97.2 | Very high | 96.9 | Very high | 122 Ų | 122 | 64.3 Ų | 64.3 | 57% | 0.57 | 33% | 0.329 | S | S | * | . | P | Polyproline II helix | trans | -58 | 150.8 | 168.4 | -65.8 | 178 | 104.1 | 0 | 0 | 110.2 | N210 | N210-E220 HydrophobicContact CB-CG 4.34Š|
| 221 | V | 96.7 | Very high | 96.8 | Very high | 16 Ų | 16 | 65.8 Ų | 65.8 | 10% | 0.097 | 34% | 0.335 | C | S | . | . | trans | -126 | 163.5 | 179 | -58.7 | 0 | 0 | 0 | 0 | 111 | Y209 N210 I226 I249 | Y209-V221 HydrophobicContact CD1-CG2 4.41Å; Y209-V221 HydrophobicContact CE1-CG2 3.33Å; Y209-V221 WeakPolarHBondContact OH-CG2 3.11Å; N210-V221 PolarHBondContact ND2-O 3.13Å; N210-V221 PolarHBondContact OD1-N 2.99Å; V221-I226 HydrophobicContact CG2-CB 4.07Å; V221-I226 HydrophobicContact CG2-CG1 4.4Å; V221-I249 HydrophobicContact CG2-CD1 4.31Å | ||
| 222 | T | 97.3 | Very high | 96.7 | Very high | 72 Ų | 72 | 66.5 Ų | 66.5 | 44% | 0.442 | 35% | 0.345 | S | S | . | . | trans | -109.3 | 169.8 | 174.2 | 68.8 | 0 | 0 | 0 | 0 | 109.3 | R224 T225 I226 | T222-R224 PolarHBondContact O-N 3.32Å; T222-R224 PolarHBondContact OG1-N 3.01Å; T222-T225 PolarHBondContact N-OG1 3.41Å; T222-T225 PolarHBondContact O-N 3.31Å; T222-T225 PolarHBondContact OG1-N 3.27Å; T222-T225 PolarHBondContact OG1-OG1 3.12Å; T222-T225 VanDerWaalsContact OG1-OG1 3.06Å; T222-I226 PolarHBondContact O-N 2.81Å | ||
| 223 | W | 96.8 | Very high | 96.6 | Very high | 31 Ų | 31 | 72.2 Ų | 72.2 | 12% | 0.117 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -29.7 | 175 | -68 | 109.9 | 0 | 0 | 0 | 113.3 | I226 Y231 L241 A242 Y245 G247 I249 L252 | W223-I226 WeakPolarHBondContact O-CG2 3.35Å; W223-Y231 WeakPolarHBondContact O-CD2 3.43Å; W223-L241 HydrophobicContact CH2-CD2 4.5Å; W223-L241 HydrophobicContact CH2-CG 4.1Å; W223-L241 HydrophobicContact CZ3-CB 4.28Å; W223-L241 HydrophobicContact CZ3-CD2 3.78Å; W223-L241 HydrophobicContact CZ3-CG 3.75Å; W223-A242 HydrophobicContact CD2-CB 3.73Å; W223-A242 HydrophobicContact CE3-CB 4.24Å; W223-A242 HydrophobicContact CG-CB 4.05Å; W223-A242 HydrophobicContact CH2-CB 4.45Å; W223-A242 HydrophobicContact CZ2-CB 3.97Å; W223-Y245 AromaticContact CH2-CD2 3.88Å; W223-Y245 HydrophobicContact CH2-CD2 3.88Å; W223-Y245 HydrophobicContact CH2-CG 4.29Å; W223-G247 PolarHBondContact NE1-O 3.04Å; W223-I249 HydrophobicContact CD2-CB 4.33Å; W223-I249 HydrophobicContact CD2-CD1 4.23Å; W223-I249 HydrophobicContact CD2-CG1 4.42Å; W223-I249 HydrophobicContact CG-CB 4.48Å; W223-I249 HydrophobicContact CG-CD1 4.36Å; W223-I249 HydrophobicContact CZ2-CB 4.21Å; W223-I249 HydrophobicContact CZ2-CG1 4.47Å; W223-L252 HydrophobicContact CH2-CB 4.46Å; W223-L252 HydrophobicContact CH2-CD1 3.99Å; W223-L252 HydrophobicContact CH2-CD2 4.36Å; W223-L252 HydrophobicContact CZ3-CD1 4.28Å; W223-L252 HydrophobicContact CZ3-CD2 4.23Å |
| 224 | R | 96 | Very high | 96.5 | Very high | 168 Ų | 168 | 73.4 Ų | 73.4 | 63% | 0.634 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -24.8 | 178.8 | -59.2 | -172 | 176.9 | -150 | 0.4 | 113.5 | T222 A228 Y231 | T222-R224 PolarHBondContact O-N 3.32Å; T222-R224 PolarHBondContact OG1-N 3.01Å; R224-A228 WeakPolarHBondContact O-CA 3.35Å; R224-Y231 HydrophobicContact CB-CE1 4.46Å; R224-Y231 HydrophobicContact CB-CE2 4.44Å; R224-Y231 HydrophobicContact CG-CD2 4.49Å; R224-Y231 HydrophobicContact CG-CE1 3.98Å; R224-Y231 HydrophobicContact CG-CE2 3.92Å |
| 225 | T | 96.5 | Very high | 96.5 | Very high | 78 Ų | 78 | 69.2 Ų | 69.2 | 48% | 0.479 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.2 | -8.4 | -170.5 | 61.5 | 0 | 0 | 0 | 0 | 113.9 | T222 N227 | T222-T225 PolarHBondContact N-OG1 3.41Å; T222-T225 PolarHBondContact O-N 3.31Å; T222-T225 PolarHBondContact OG1-N 3.27Å; T222-T225 PolarHBondContact OG1-OG1 3.12Å; T222-T225 VanDerWaalsContact OG1-OG1 3.06Å; T225-N227 PolarHBondContact O-N 2.72Å |
| 226 | I | 96.3 | Very high | 96.4 | Very high | 6 Ų | 6 | 68 Ų | 68 | 3% | 0.031 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -43.2 | 171.6 | -173.6 | 161.4 | 0 | 0 | 0 | 111.5 | Y209 V221 T222 W223 Y238 L252 L260 E261 | Y209-I226 HydrophobicContact CE1-CD1 3.71Å; Y209-I226 HydrophobicContact CE1-CG1 4.25Å; Y209-I226 WeakPolarHBondContact OH-CG1 3.46Å; V221-I226 HydrophobicContact CG2-CB 4.07Å; V221-I226 HydrophobicContact CG2-CG1 4.4Å; T222-I226 PolarHBondContact O-N 2.81Å; W223-I226 WeakPolarHBondContact O-CG2 3.35Å; I226-Y238 HydrophobicContact CG2-CD1 4.12Å; I226-Y238 HydrophobicContact CG2-CE1 3.53Å; I226-L252 HydrophobicContact CD1-CD2 3.87Å; I226-L260 HydrophobicContact CD1-CB 3.74Å; I226-L260 HydrophobicContact CD1-CD1 4.23Å; I226-L260 HydrophobicContact CG1-CB 4.1Å; I226-E261 HydrophobicContact CG1-CG 4.19Å |
| 227 | N | 96.5 | Very high | 96.4 | Very high | 8 Ų | 8 | 69.1 Ų | 69.1 | 4% | 0.043 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -154 | 94.4 | 169.6 | -177.3 | -20.4 | 0 | 0 | 0 | 108.2 | T225 E229 H230 Y231 L260 F262 | T225-N227 PolarHBondContact O-N 2.72Å; N227-E229 VanDerWaalsContact C-N 3.33Å; N227-E229 PolarHBondContact O-N 3.22Å; N227-E229 PolarHBondContact OD1-N 3.11Å; N227-H230 HydrophobicContact CB-CB 4.3Å; N227-H230 WeakPolarHBondContact OD1-CB 3.07Å; N227-H230 PolarHBondContact OD1-N 3.4Å; N227-Y231 WeakPolarHBondContact O-CB 3.19Å; N227-Y231 PolarHBondContact O-N 2.97Å; N227-L260 VanDerWaalsContact CB-O 3.26Å; N227-L260 WeakPolarHBondContact CB-O 3.43Å; N227-L260 PolarHBondContact ND2-O 3.47Å; N227-F262 PolarHBondContact ND2-O 3.43Å |
| 228 | A | 95.8 | Very high | 96.4 | Very high | 63 Ų | 63 | 62.3 Ų | 62.3 | 52% | 0.521 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65.7 | -35.4 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113 | R224 A232 | R224-A228 WeakPolarHBondContact O-CA 3.35Å; A228-A232 PolarHBondContact O-N 3.14Å |
| 229 | E | 94.3 | Very high | 96.4 | Very high | 130 Ų | 130 | 65.3 Ų | 65.3 | 61% | 0.607 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -66.9 | -51.5 | 178.6 | -177.3 | -177.4 | 172.5 | 0 | 0 | 110.9 | N227 Y231 A232 N233 | N227-E229 VanDerWaalsContact C-N 3.33Å; N227-E229 PolarHBondContact O-N 3.22Å; N227-E229 PolarHBondContact OD1-N 3.11Å; E229-Y231 VanDerWaalsContact C-N 3.33Å; E229-Y231 PolarHBondContact O-N 3.04Å; E229-A232 WeakPolarHBondContact O-CB 3.37Å; E229-A232 PolarHBondContact O-N 3.01Å; E229-N233 PolarHBondContact O-N 3.15Å; E229-N233 PolarHBondContact O-ND2 2.99Å |
| 230 | H | 94.3 | Very high | 96.4 | Very high | 28 Ų | 28 | 65.7 Ų | 65.7 | 13% | 0.13 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -68.5 | -33.6 | 178.8 | -177.9 | -99.3 | 0 | 0 | 0 | 111.9 | R172 N227 A232 N233 D234 Y238 F262 | R172-H230 VanDerWaalsContact CZ-NE2 3.33Å; R172-H230 PolarHBondContact NE-NE2 3.35Å; R172-H230 PolarHBondContact NH1-CE1 3.45Å; R172-H230 VanDerWaalsContact NH1-CE1 3.28Å; N227-H230 HydrophobicContact CB-CB 4.3Å; N227-H230 WeakPolarHBondContact OD1-CB 3.07Å; N227-H230 PolarHBondContact OD1-N 3.4Å; H230-A232 VanDerWaalsContact C-N 3.29Å; H230-A232 PolarHBondContact O-N 3.49Å; H230-N233 PolarHBondContact O-N 2.95Å; H230-N233 VanDerWaalsContact O-N 3.16Å; H230-D234 PolarHBondContact O-N 2.8Å; H230-Y238 AromaticContact CE1-CE2 3.82Å; H230-Y238 AromaticContact ND1-CE2 3.17Å; H230-Y238 WeakPolarHBondContact ND1-CE2 3.46Å; H230-Y238 AromaticContact ND1-CZ 3.34Å; H230-Y238 VanDerWaalsContact ND1-CZ 3.34Å; H230-Y238 PolarHBondContact ND1-OH 3.24Å; H230-F262 HydrophobicContact CB-CZ 4.32Å; H230-F262 AromaticContact CD2-CZ 3.92Å; H230-F262 AromaticContact CG-CZ 3.97Å |
| 231 | Y | 96.1 | Very high | 96.4 | Very high | 34 Ų | 34 | 60.8 Ų | 60.8 | 13% | 0.133 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.5 | -38 | 172 | -175.1 | -79.6 | 0 | 0 | 0 | 112.2 | W223 R224 N227 E229 N233 P235 Y238 | W223-Y231 WeakPolarHBondContact O-CD2 3.43Å; R224-Y231 HydrophobicContact CB-CE1 4.46Å; R224-Y231 HydrophobicContact CB-CE2 4.44Å; R224-Y231 HydrophobicContact CG-CD2 4.49Å; R224-Y231 HydrophobicContact CG-CE1 3.98Å; R224-Y231 HydrophobicContact CG-CE2 3.92Å; N227-Y231 WeakPolarHBondContact O-CB 3.19Å; N227-Y231 PolarHBondContact O-N 2.97Å; E229-Y231 VanDerWaalsContact C-N 3.33Å; E229-Y231 PolarHBondContact O-N 3.04Å; Y231-N233 VanDerWaalsContact C-N 3.28Å; Y231-N233 PolarHBondContact O-N 2.98Å; Y231-P235 HydrophobicContact CD1-CB 4.47Å; Y231-P235 HydrophobicContact CE1-CB 4.04Å; Y231-P235 WeakPolarHBondContact O-CA 3.27Å; Y231-P235 WeakPolarHBondContact O-CB 3.41Å; Y231-P235 VanDerWaalsContact O-CD 3.29Å; Y231-P235 WeakPolarHBondContact O-CD 3.28Å; Y231-P235 VanDerWaalsContact O-N 3.15Å; Y231-Y238 VanDerWaalsContact CA-CE2 3.41Å; Y231-Y238 HydrophobicContact CD2-CD1 4.18Å; Y231-Y238 AromaticContact CD2-CD2 3.51Å; Y231-Y238 HydrophobicContact CD2-CD2 3.51Å; Y231-Y238 HydrophobicContact CD2-CE2 4.21Å; Y231-Y238 AromaticContact CD2-CG 3.49Å; Y231-Y238 HydrophobicContact CD2-CG 3.49Å; Y231-Y238 VanDerWaalsContact CD2-CG 3.49Å; Y231-Y238 HydrophobicContact CE2-CD2 4.33Å; Y231-Y238 HydrophobicContact CE2-CG 4.06Å; Y231-Y238 HydrophobicContact CG-CD2 4.08Å; Y231-Y238 HydrophobicContact CG-CE2 4.47Å; Y231-Y238 HydrophobicContact CG-CG 4.46Å |
| 232 | A | 96.4 | Very high | 96.4 | Very high | 74 Ų | 74 | 60.6 Ų | 60.6 | 61% | 0.612 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -64.9 | -34.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A228 E229 H230 | A228-A232 PolarHBondContact O-N 3.14Å; E229-A232 WeakPolarHBondContact O-CB 3.37Å; E229-A232 PolarHBondContact O-N 3.01Å; H230-A232 VanDerWaalsContact C-N 3.29Å; H230-A232 PolarHBondContact O-N 3.49Å |
| 233 | N | 95.4 | Very high | 96.5 | Very high | 126 Ų | 126 | 65.3 Ų | 65.3 | 67% | 0.674 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -81.9 | -37.1 | -179 | -67 | -28.5 | 0 | 0 | 0 | 113.7 | E229 H230 Y231 | E229-N233 PolarHBondContact O-N 3.15Å; E229-N233 PolarHBondContact O-ND2 2.99Å; H230-N233 PolarHBondContact O-N 2.95Å; H230-N233 VanDerWaalsContact O-N 3.16Å; Y231-N233 VanDerWaalsContact C-N 3.28Å; Y231-N233 PolarHBondContact O-N 2.98Å |
| 234 | D | 95.9 | Very high | 96.5 | Very high | 35 Ų | 35 | 70.6 Ų | 70.6 | 19% | 0.187 | 36% | 0.357 | C | S | . | . | trans | -137.3 | 67.1 | -179.2 | -175.1 | 6.5 | 0 | 0 | 0 | 112.1 | R172 H230 E236 F237 Y238 | R172-D234 IonicContact CZ-OD2 2.62Å; R172-D234 VanDerWaalsContact CZ-OD2 3.24Å; R172-D234 IonicContact NH1-OD2 3.49Å; R172-D234 PolarHBondContact NH1-OD2 3.07Å; R172-D234 IonicContact NH2-OD2 3.07Å; R172-D234 PolarHBondContact NH2-OD2 2.7Å; H230-D234 PolarHBondContact O-N 2.8Å; D234-E236 PolarHBondContact O-N 3.17Å; D234-F237 HydrophobicContact CB-CB 4.45Å; D234-F237 VanDerWaalsContact CG-CB 3.41Å; D234-F237 PolarHBondContact O-N 3.12Å; D234-F237 WeakPolarHBondContact OD1-CB 3.4Å; D234-F237 PolarHBondContact OD1-N 3.44Å; D234-F237 WeakPolarHBondContact OD2-CB 3.35Å; D234-Y238 VanDerWaalsContact O-CD2 3.31Å; D234-Y238 WeakPolarHBondContact O-CD2 3.4Å | ||
| 235 | P | 96.5 | Very high | 96.6 | Very high | 54 Ų | 54 | 64.1 Ų | 64.1 | 35% | 0.351 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -65.5 | -25.7 | 179.1 | 26.5 | -34.3 | 0 | 0 | 0 | 112.1 | Y231 Y238 N239 | Y231-P235 HydrophobicContact CD1-CB 4.47Å; Y231-P235 HydrophobicContact CE1-CB 4.04Å; Y231-P235 WeakPolarHBondContact O-CA 3.27Å; Y231-P235 WeakPolarHBondContact O-CB 3.41Å; Y231-P235 VanDerWaalsContact O-CD 3.29Å; Y231-P235 WeakPolarHBondContact O-CD 3.28Å; Y231-P235 VanDerWaalsContact O-N 3.15Å; P235-Y238 PolarHBondContact O-N 3.17Å; P235-N239 WeakPolarHBondContact O-CB 3.16Å; P235-N239 PolarHBondContact O-N 2.96Å; P235-N239 PolarHBondContact O-ND2 3.1Å |
| 236 | E | 97.1 | Very high | 96.7 | Very high | 116 Ų | 116 | 63.6 Ų | 63.6 | 54% | 0.542 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -66.1 | -40.1 | -179.1 | -154.2 | -153.6 | 149 | 0 | 0 | 111.6 | D234 N239 R240 | D234-E236 PolarHBondContact O-N 3.17Å; E236-N239 PolarHBondContact O-N 3.11Å; E236-R240 WeakPolarHBondContact O-CG 3.38Å; E236-R240 PolarHBondContact O-N 3.05Å; E236-R240 IonicContact OE1-CZ 3.44Å; E236-R240 IonicContact OE1-NH1 3.06Å; E236-R240 PolarHBondContact OE1-NH1 2.78Å; E236-R240 IonicContact OE2-NH1 2.74Å; E236-R240 PolarHBondContact OE2-NH1 3.2Å |
| 237 | F | 96.8 | Very high | 96.6 | Very high | 44 Ų | 44 | 65.5 Ų | 65.5 | 19% | 0.193 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -57.4 | -50 | 172 | 164 | -100.2 | 0 | 0 | 0 | 112.7 | D234 N239 R240 L241 L260 | D234-F237 HydrophobicContact CB-CB 4.45Å; D234-F237 VanDerWaalsContact CG-CB 3.41Å; D234-F237 PolarHBondContact O-N 3.12Å; D234-F237 WeakPolarHBondContact OD1-CB 3.4Å; D234-F237 PolarHBondContact OD1-N 3.44Å; D234-F237 WeakPolarHBondContact OD2-CB 3.35Å; F237-N239 VanDerWaalsContact C-N 3.27Å; F237-N239 PolarHBondContact O-N 3.4Å; F237-R240 PolarHBondContact O-N 2.95Å; F237-R240 VanDerWaalsContact O-N 3.17Å; F237-L241 HydrophobicContact CE1-CD2 4.2Å; F237-L241 HydrophobicContact CZ-CD2 4.08Å; F237-L241 WeakPolarHBondContact O-CB 3.37Å; F237-L241 PolarHBondContact O-N 3.08Å; F237-L260 HydrophobicContact CE1-CD1 4.38Å; F237-L260 HydrophobicContact CE1-CD2 3.57Å; F237-L260 HydrophobicContact CZ-CD2 3.77Å |
| 238 | Y | 97.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -63.9 | -36.9 | -179.5 | -72.4 | -82.3 | 0 | 0 | 0 | 111.3 | I226 H230 Y231 D234 P235 L241 A242 L260 | I226-Y238 HydrophobicContact CG2-CD1 4.12Å; I226-Y238 HydrophobicContact CG2-CE1 3.53Å; H230-Y238 AromaticContact CE1-CE2 3.82Å; H230-Y238 AromaticContact ND1-CE2 3.17Å; H230-Y238 WeakPolarHBondContact ND1-CE2 3.46Å; H230-Y238 AromaticContact ND1-CZ 3.34Å; H230-Y238 VanDerWaalsContact ND1-CZ 3.34Å; H230-Y238 PolarHBondContact ND1-OH 3.24Å; Y231-Y238 VanDerWaalsContact CA-CE2 3.41Å; Y231-Y238 HydrophobicContact CD2-CD1 4.18Å; Y231-Y238 AromaticContact CD2-CD2 3.51Å; Y231-Y238 HydrophobicContact CD2-CD2 3.51Å; Y231-Y238 HydrophobicContact CD2-CE2 4.21Å; Y231-Y238 AromaticContact CD2-CG 3.49Å; Y231-Y238 HydrophobicContact CD2-CG 3.49Å; Y231-Y238 VanDerWaalsContact CD2-CG 3.49Å; Y231-Y238 HydrophobicContact CE2-CD2 4.33Å; Y231-Y238 HydrophobicContact CE2-CG 4.06Å; Y231-Y238 HydrophobicContact CG-CD2 4.08Å; Y231-Y238 HydrophobicContact CG-CE2 4.47Å; Y231-Y238 HydrophobicContact CG-CG 4.46Å; D234-Y238 VanDerWaalsContact O-CD2 3.31Å; D234-Y238 WeakPolarHBondContact O-CD2 3.4Å; P235-Y238 PolarHBondContact O-N 3.17Å; Y238-L241 PolarHBondContact O-N 3.08Å; Y238-A242 WeakPolarHBondContact O-CB 3.31Å; Y238-A242 PolarHBondContact O-N 3.13Å; Y238-L260 HydrophobicContact CE1-CD1 4.36Å; Y238-L260 HydrophobicContact CE1-CD2 4.5Å |
| 239 | N | 97 | Very high | 96.7 | Very high | 74 Ų | 74 | 65.8 Ų | 65.8 | 40% | 0.396 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.4 | -41.8 | 174.1 | -71.4 | -34.1 | 0 | 0 | 0 | 112.2 | P235 E236 F237 R243 | P235-N239 WeakPolarHBondContact O-CB 3.16Å; P235-N239 PolarHBondContact O-N 2.96Å; P235-N239 PolarHBondContact O-ND2 3.1Å; E236-N239 PolarHBondContact O-N 3.11Å; F237-N239 VanDerWaalsContact C-N 3.27Å; F237-N239 PolarHBondContact O-N 3.4Å; N239-R243 WeakPolarHBondContact O-CG 3.27Å; N239-R243 PolarHBondContact O-N 3.46Å; N239-R243 VanDerWaalsContact O-N 3.12Å |
| 240 | R | 97.7 | Very high | 96.8 | Very high | 101 Ų | 101 | 63 Ų | 63 | 38% | 0.381 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.2 | -47.1 | 173.9 | -75.2 | -171.5 | -56.9 | -102 | -0.8 | 111.1 | E236 F237 R243 L244 | E236-R240 WeakPolarHBondContact O-CG 3.38Å; E236-R240 PolarHBondContact O-N 3.05Å; E236-R240 IonicContact OE1-CZ 3.44Å; E236-R240 IonicContact OE1-NH1 3.06Å; E236-R240 PolarHBondContact OE1-NH1 2.78Å; E236-R240 IonicContact OE2-NH1 2.74Å; E236-R240 PolarHBondContact OE2-NH1 3.2Å; F237-R240 PolarHBondContact O-N 2.95Å; F237-R240 VanDerWaalsContact O-N 3.17Å; R240-R243 WeakPolarHBondContact O-CB 3.09Å; R240-R243 PolarHBondContact O-N 3.49Å; R240-L244 PolarHBondContact O-N 3.37Å |
| 241 | L | 97.5 | Very high | 97 | Very high | 19 Ų | 19 | 67.7 Ų | 67.7 | 10% | 0.099 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -63.2 | -45.1 | 179.5 | -174.1 | 61.6 | 0 | 0 | 0 | 111.4 | W223 F237 Y238 R243 L244 Y245 V256 L260 | W223-L241 HydrophobicContact CH2-CD2 4.5Å; W223-L241 HydrophobicContact CH2-CG 4.1Å; W223-L241 HydrophobicContact CZ3-CB 4.28Å; W223-L241 HydrophobicContact CZ3-CD2 3.78Å; W223-L241 HydrophobicContact CZ3-CG 3.75Å; F237-L241 HydrophobicContact CE1-CD2 4.2Å; F237-L241 HydrophobicContact CZ-CD2 4.08Å; F237-L241 WeakPolarHBondContact O-CB 3.37Å; F237-L241 PolarHBondContact O-N 3.08Å; Y238-L241 PolarHBondContact O-N 3.08Å; L241-R243 VanDerWaalsContact C-N 3.28Å; L241-R243 PolarHBondContact O-N 2.8Å; L241-L244 HydrophobicContact CD1-CD1 4.41Å; L241-L244 WeakPolarHBondContact O-CB 3.27Å; L241-L244 PolarHBondContact O-N 3.3Å; L241-Y245 HydrophobicContact CD1-CD2 4.08Å; L241-Y245 HydrophobicContact CD1-CE2 3.71Å; L241-Y245 HydrophobicContact CG-CD2 4.31Å; L241-Y245 HydrophobicContact CG-CE2 4.3Å; L241-Y245 WeakPolarHBondContact O-CD2 3.17Å; L241-Y245 PolarHBondContact O-N 3.27Å; L241-V256 HydrophobicContact CD2-CG1 4.18Å; L241-L260 HydrophobicContact CD2-CD1 3.43Å; L241-L260 VanDerWaalsContact CD2-CD1 3.43Å |
| 242 | A | 97.9 | Very high | 97.1 | Very high | 12 Ų | 12 | 66.1 Ų | 66.1 | 10% | 0.099 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -56.4 | -43.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | W223 Y238 L244 Y245 G246 G247 | W223-A242 HydrophobicContact CD2-CB 3.73Å; W223-A242 HydrophobicContact CE3-CB 4.24Å; W223-A242 HydrophobicContact CG-CB 4.05Å; W223-A242 HydrophobicContact CH2-CB 4.45Å; W223-A242 HydrophobicContact CZ2-CB 3.97Å; Y238-A242 WeakPolarHBondContact O-CB 3.31Å; Y238-A242 PolarHBondContact O-N 3.13Å; A242-L244 VanDerWaalsContact C-N 3.31Å; A242-L244 PolarHBondContact O-N 3.09Å; A242-Y245 CarbonylContact O-C 3.46Å; A242-Y245 PolarHBondContact O-N 2.9Å; A242-Y245 VanDerWaalsContact O-N 3.11Å; A242-G246 PolarHBondContact O-N 2.95Å; A242-G247 WeakPolarHBondContact O-CA 3.43Å; A242-G247 PolarHBondContact O-N 3.37Å |
| 243 | R | 97.9 | Very high | 97.2 | Very high | 170 Ų | 170 | 63.7 Ų | 63.7 | 64% | 0.642 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -59.8 | -38 | 175.4 | -73.1 | -170.9 | -63 | -108.1 | 10.9 | 112.9 | N239 R240 L241 Y245 G246 | N239-R243 WeakPolarHBondContact O-CG 3.27Å; N239-R243 PolarHBondContact O-N 3.46Å; N239-R243 VanDerWaalsContact O-N 3.12Å; R240-R243 WeakPolarHBondContact O-CB 3.09Å; R240-R243 PolarHBondContact O-N 3.49Å; L241-R243 VanDerWaalsContact C-N 3.28Å; L241-R243 PolarHBondContact O-N 2.8Å; R243-Y245 PolarHBondContact O-N 2.88Å; R243-G246 PolarHBondContact O-N 3.05Å; R243-G246 VanDerWaalsContact O-N 3.08Å |
| 244 | L | 97.7 | Very high | 97.3 | Very high | 143 Ų | 143 | 58 Ų | 58 | 75% | 0.749 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -63.7 | -30.4 | 176.7 | -64.5 | 175 | 0 | 0 | 0 | 112.6 | R240 L241 A242 | R240-L244 PolarHBondContact O-N 3.37Å; L241-L244 HydrophobicContact CD1-CD1 4.41Å; L241-L244 WeakPolarHBondContact O-CB 3.27Å; L241-L244 PolarHBondContact O-N 3.3Å; A242-L244 VanDerWaalsContact C-N 3.31Å; A242-L244 PolarHBondContact O-N 3.09Å |
| 245 | Y | 97.9 | Very high | 97.4 | Very high | 31 Ų | 31 | 56.6 Ų | 56.6 | 12% | 0.122 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 14.7 | 175 | -71.3 | -83.8 | 0 | 0 | 0 | 113.3 | W223 L241 A242 R243 G247 D248 K251 L252 D253 | W223-Y245 AromaticContact CH2-CD2 3.88Å; W223-Y245 HydrophobicContact CH2-CD2 3.88Å; W223-Y245 HydrophobicContact CH2-CG 4.29Å; L241-Y245 HydrophobicContact CD1-CD2 4.08Å; L241-Y245 HydrophobicContact CD1-CE2 3.71Å; L241-Y245 HydrophobicContact CG-CD2 4.31Å; L241-Y245 HydrophobicContact CG-CE2 4.3Å; L241-Y245 WeakPolarHBondContact O-CD2 3.17Å; L241-Y245 PolarHBondContact O-N 3.27Å; A242-Y245 CarbonylContact O-C 3.46Å; A242-Y245 PolarHBondContact O-N 2.9Å; A242-Y245 VanDerWaalsContact O-N 3.11Å; R243-Y245 PolarHBondContact O-N 2.88Å; Y245-G247 VanDerWaalsContact C-N 3.27Å; Y245-G247 PolarHBondContact O-N 2.76Å; Y245-D248 PolarHBondContact O-N 3.36Å; Y245-K251 HydrophobicContact CD1-CB 4.07Å; Y245-K251 WeakPolarHBondContact CD1-O 3.31Å; Y245-K251 WeakPolarHBondContact CE1-O 3.12Å; Y245-L252 HydrophobicContact CD2-CD1 4Å; Y245-L252 HydrophobicContact CE1-CD1 4.36Å; Y245-L252 HydrophobicContact CE2-CD1 3.54Å; Y245-D253 VanDerWaalsContact CE1-OD2 3.28Å; Y245-D253 WeakPolarHBondContact CE1-OD2 3.42Å; Y245-D253 PolarHBondContact OH-OD2 3.4Å |
| 246 | G | 97.4 | Very high | 97.5 | Very high | 67 Ų | 67 | 55.1 Ų | 55.1 | 69% | 0.691 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69 | 21.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | A242 R243 D248 | A242-G246 PolarHBondContact O-N 2.95Å; R243-G246 PolarHBondContact O-N 3.05Å; R243-G246 VanDerWaalsContact O-N 3.08Å; G246-D248 PolarHBondContact O-N 2.78Å |
| 247 | G | 95.7 | Very high | 97.5 | Very high | 47 Ų | 47 | 49.6 Ų | 49.6 | 49% | 0.485 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.3 | -10.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | W223 A242 Y245 | W223-G247 PolarHBondContact NE1-O 3.04Å; A242-G247 WeakPolarHBondContact O-CA 3.43Å; A242-G247 PolarHBondContact O-N 3.37Å; Y245-G247 VanDerWaalsContact C-N 3.27Å; Y245-G247 PolarHBondContact O-N 2.76Å |
| 248 | D | 97.1 | Very high | 97.5 | Very high | 59 Ų | 59 | 47.5 Ų | 47.5 | 32% | 0.316 | 25% | 0.254 | S | S | . | . | trans | -95.1 | 112.4 | -173.2 | -174.7 | 1 | 0 | 0 | 0 | 111.2 | Y245 G246 N250 K251 | Y245-D248 PolarHBondContact O-N 3.36Å; G246-D248 PolarHBondContact O-N 2.78Å; D248-N250 PolarHBondContact O-N 3.32Å; D248-N250 WeakPolarHBondContact OD1-CB 3.49Å; D248-N250 PolarHBondContact OD1-N 2.85Å; D248-K251 HydrophobicContact CB-CD 4.08Å; D248-K251 HydrophobicContact CB-CG 4.15Å; D248-K251 PolarHBondContact O-N 2.8Å; D248-K251 WeakPolarHBondContact OD2-CE 3.37Å | ||
| 249 | I | 97.1 | Very high | 97.5 | Very high | 17 Ų | 17 | 48.1 Ų | 48.1 | 9% | 0.087 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -68 | -22.7 | 178.9 | -170.2 | 157.8 | 0 | 0 | 0 | 112.6 | V221 W223 K251 L252 | V221-I249 HydrophobicContact CG2-CD1 4.31Å; W223-I249 HydrophobicContact CD2-CB 4.33Å; W223-I249 HydrophobicContact CD2-CD1 4.23Å; W223-I249 HydrophobicContact CD2-CG1 4.42Å; W223-I249 HydrophobicContact CG-CB 4.48Å; W223-I249 HydrophobicContact CG-CD1 4.36Å; W223-I249 HydrophobicContact CZ2-CB 4.21Å; W223-I249 HydrophobicContact CZ2-CG1 4.47Å; I249-K251 PolarHBondContact O-N 3Å; I249-K251 VanDerWaalsContact O-N 3.14Å; I249-L252 HydrophobicContact CG1-CB 4.44Å; I249-L252 HydrophobicContact CG1-CD2 4.3Å; I249-L252 WeakPolarHBondContact O-CB 3.29Å; I249-L252 PolarHBondContact O-N 3.21Å |
| 250 | N | 97.1 | Very high | 97.5 | Very high | 73 Ų | 73 | 44.7 Ų | 44.7 | 39% | 0.39 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -76.3 | 3.7 | 177.8 | -59.8 | -36 | 0 | 0 | 0 | 112.6 | D208 N210 D248 | D208-N250 WeakPolarHBondContact CB-O 3.37Å; D208-N250 VanDerWaalsContact CG-O 3.26Å; N210-N250 WeakPolarHBondContact CB-OD1 3.47Å; N210-N250 PolarHBondContact ND2-OD1 2.79Å; D248-N250 PolarHBondContact O-N 3.32Å; D248-N250 WeakPolarHBondContact OD1-CB 3.49Å; D248-N250 PolarHBondContact OD1-N 2.85Å |
| 251 | K | 97.6 | Very high | 97.5 | Very high | 126 Ų | 126 | 40 Ų | 40 | 55% | 0.548 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -102.5 | -5.2 | 168.1 | -62.8 | -178.6 | -175.4 | 172.6 | 0 | 112.8 | Y245 D248 I249 D253 | Y245-K251 HydrophobicContact CD1-CB 4.07Å; Y245-K251 WeakPolarHBondContact CD1-O 3.31Å; Y245-K251 WeakPolarHBondContact CE1-O 3.12Å; D248-K251 HydrophobicContact CB-CD 4.08Å; D248-K251 HydrophobicContact CB-CG 4.15Å; D248-K251 PolarHBondContact O-N 2.8Å; D248-K251 WeakPolarHBondContact OD2-CE 3.37Å; I249-K251 PolarHBondContact O-N 3Å; I249-K251 VanDerWaalsContact O-N 3.14Å; K251-D253 PolarHBondContact O-N 3.44Å |
| 252 | L | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | trans | -64 | 126.1 | -177.5 | -176.9 | 60.4 | 0 | 0 | 0 | 110.2 | Y209 W223 I226 Y245 I249 A254 V256 | Y209-L252 VanDerWaalsContact CB-O 3.28Å; Y209-L252 WeakPolarHBondContact CB-O 3.19Å; Y209-L252 HydrophobicContact CD1-CD2 3.88Å; Y209-L252 HydrophobicContact CE1-CD2 4.35Å; Y209-L252 HydrophobicContact CG-CD2 4.24Å; Y209-L252 PolarHBondContact N-O 2.89Å; W223-L252 HydrophobicContact CH2-CB 4.46Å; W223-L252 HydrophobicContact CH2-CD1 3.99Å; W223-L252 HydrophobicContact CH2-CD2 4.36Å; W223-L252 HydrophobicContact CZ3-CD1 4.28Å; W223-L252 HydrophobicContact CZ3-CD2 4.23Å; I226-L252 HydrophobicContact CD1-CD2 3.87Å; Y245-L252 HydrophobicContact CD2-CD1 4Å; Y245-L252 HydrophobicContact CE1-CD1 4.36Å; Y245-L252 HydrophobicContact CE2-CD1 3.54Å; I249-L252 HydrophobicContact CG1-CB 4.44Å; I249-L252 HydrophobicContact CG1-CD2 4.3Å; I249-L252 WeakPolarHBondContact O-CB 3.29Å; I249-L252 PolarHBondContact O-N 3.21Å; L252-A254 PolarHBondContact O-N 3.44Å; L252-V256 HydrophobicContact CD1-CB 3.87Å; L252-V256 HydrophobicContact CD1-CG1 3.73Å | ||
| 253 | D | 98.4 | Very high | 97 | Very high | 24 Ų | 24 | 44.5 Ų | 44.5 | 13% | 0.128 | 24% | 0.238 | C | C | . | . | B | Isolated β-bridge | trans | -62.6 | 136.1 | 177 | -63.9 | -83.8 | 0 | 0 | 0 | 110.2 | I198 R202 Y245 K251 Y255 V256 G257 | I198-D253 HydrophobicContact CG2-CB 4.36Å; R202-D253 WeakPolarHBondContact CG-OD1 3.36Å; R202-D253 IonicContact CZ-OD1 3.55Å; R202-D253 IonicContact CZ-OD2 2.99Å; R202-D253 IonicContact NE-OD1 3.51Å; R202-D253 PolarHBondContact NE-OD1 2.95Å; R202-D253 IonicContact NE-OD2 3.54Å; R202-D253 IonicContact NH2-OD1 2.71Å; R202-D253 IonicContact NH2-OD2 3.46Å; R202-D253 PolarHBondContact NH2-OD2 2.97Å; Y245-D253 VanDerWaalsContact CE1-OD2 3.28Å; Y245-D253 WeakPolarHBondContact CE1-OD2 3.42Å; Y245-D253 PolarHBondContact OH-OD2 3.4Å; K251-D253 PolarHBondContact O-N 3.44Å; D253-Y255 PolarHBondContact O-N 2.96Å; D253-Y255 VanDerWaalsContact O-N 3.15Å; D253-V256 HydrophobicContact CB-CG2 4.2Å; D253-V256 PolarHBondContact O-N 2.76Å; D253-G257 PolarHBondContact O-N 2.85Å |
| 254 | A | 97.7 | Very high | 96.6 | Very high | 5 Ų | 5 | 43 Ų | 43 | 4% | 0.041 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -49.7 | -42 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | A105 L206 L212 L252 G258 | A105-A254 HydrophobicContact CB-CB 4.14Å; L206-A254 HydrophobicContact CD1-CB 4.26Å; L212-A254 HydrophobicContact CD1-CB 3.38Å; L252-A254 PolarHBondContact O-N 3.44Å; A254-G258 PolarHBondContact O-N 2.82Å |
| 255 | Y | 97.6 | Very high | 96.1 | Very high | 7 Ų | 7 | 43.1 Ų | 43.1 | 3% | 0.027 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.3 | -48.8 | 177.2 | 174 | -103 | 0 | 0 | 0 | 111.6 | R108 I174 T194 I198 D253 I259 | R108-Y255 HydrophobicContact CB-CD2 4.07Å; R108-Y255 HydrophobicContact CB-CE2 3.69Å; I174-Y255 WeakPolarHBondContact CD1-OH 3.26Å; T194-Y255 HydrophobicContact CG2-CE1 3.97Å; I198-Y255 HydrophobicContact CG1-CD1 3.84Å; I198-Y255 HydrophobicContact CG1-CE1 4.42Å; D253-Y255 PolarHBondContact O-N 2.96Å; D253-Y255 VanDerWaalsContact O-N 3.15Å; Y255-I259 HydrophobicContact CD2-CG1 4.36Å; Y255-I259 HydrophobicContact CE1-CG1 4.4Å; Y255-I259 HydrophobicContact CE2-CD1 4.19Å; Y255-I259 HydrophobicContact CE2-CG1 4.05Å; Y255-I259 WeakPolarHBondContact O-CG1 3.46Å; Y255-I259 PolarHBondContact O-N 3.05Å; Y255-I259 VanDerWaalsContact O-N 3.08Å |
| 256 | V | 97.8 | Very high | 95.9 | Very high | 22 Ų | 22 | 43.9 Ų | 43.9 | 13% | 0.133 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.6 | -46.1 | -178.3 | -176.7 | 0 | 0 | 0 | 0 | 110.3 | I198 L241 L252 D253 I259 L260 | I198-V256 HydrophobicContact CD1-CG2 3.68Å; I198-V256 HydrophobicContact CG1-CG2 3.76Å; L241-V256 HydrophobicContact CD2-CG1 4.18Å; L252-V256 HydrophobicContact CD1-CB 3.87Å; L252-V256 HydrophobicContact CD1-CG1 3.73Å; D253-V256 HydrophobicContact CB-CG2 4.2Å; D253-V256 PolarHBondContact O-N 2.76Å; V256-I259 PolarHBondContact O-N 3.41Å; V256-L260 HydrophobicContact CG1-CD1 4.02Å; V256-L260 VanDerWaalsContact O-CG 3.27Å; V256-L260 WeakPolarHBondContact O-CG 3.23Å; V256-L260 PolarHBondContact O-N 3.33Å; V256-L260 VanDerWaalsContact O-N 3.11Å |
| 257 | G | 97.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.2 | -46.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y209 D253 I259 L260 E261 | Y209-G257 VanDerWaalsContact CD2-CA 3.49Å; D253-G257 PolarHBondContact O-N 2.85Å; G257-I259 PolarHBondContact O-N 3.17Å; G257-L260 PolarHBondContact O-N 3.22Å; G257-L260 VanDerWaalsContact O-N 3.13Å; G257-E261 PolarHBondContact O-N 2.98Å |
| 258 | G | 97.5 | Very high | 95.7 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.01 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67.9 | -31.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | A254 L260 F271 | A254-G258 PolarHBondContact O-N 2.82Å; G258-L260 VanDerWaalsContact C-N 3.33Å; G258-F271 VanDerWaalsContact CA-CZ 3.48Å |
| 259 | I | 97.2 | Very high | 95.7 | Very high | 12 Ų | 12 | 38.8 Ų | 38.8 | 6% | 0.062 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.5 | -41.1 | 170.6 | -68.6 | -73.8 | 0 | 0 | 0 | 110.4 | Y109 T112 R172 Y255 V256 G257 E261 F262 F271 | Y109-I259 HydrophobicContact CD2-CD1 4.23Å; T112-I259 HydrophobicContact CG2-CD1 3.52Å; T112-I259 HydrophobicContact CG2-CG2 4.42Å; R172-I259 HydrophobicContact CB-CG2 4.39Å; Y255-I259 HydrophobicContact CD2-CG1 4.36Å; Y255-I259 HydrophobicContact CE1-CG1 4.4Å; Y255-I259 HydrophobicContact CE2-CD1 4.19Å; Y255-I259 HydrophobicContact CE2-CG1 4.05Å; Y255-I259 WeakPolarHBondContact O-CG1 3.46Å; Y255-I259 PolarHBondContact O-N 3.05Å; Y255-I259 VanDerWaalsContact O-N 3.08Å; V256-I259 PolarHBondContact O-N 3.41Å; G257-I259 PolarHBondContact O-N 3.17Å; I259-E261 VanDerWaalsContact C-N 3.29Å; I259-E261 PolarHBondContact O-N 3.16Å; I259-F262 VanDerWaalsContact O-CD1 3.23Å; I259-F262 WeakPolarHBondContact O-CD1 3.17Å; I259-F271 HydrophobicContact CD1-CE2 4.07Å; I259-F271 HydrophobicContact CG1-CE2 4.04Å |
| 260 | L | 97.3 | Very high | 95.7 | Very high | 3 Ų | 3 | 38 Ų | 38 | 2% | 0.016 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -73.4 | -15.5 | -177.3 | -69.9 | 174.4 | 0 | 0 | 0 | 114.9 | R172 I226 N227 F237 Y238 L241 V256 G257 G258 F262 | R172-L260 HydrophobicContact CB-CD2 3.99Å; I226-L260 HydrophobicContact CD1-CB 3.74Å; I226-L260 HydrophobicContact CD1-CD1 4.23Å; I226-L260 HydrophobicContact CG1-CB 4.1Å; N227-L260 VanDerWaalsContact CB-O 3.26Å; N227-L260 WeakPolarHBondContact CB-O 3.43Å; N227-L260 PolarHBondContact ND2-O 3.47Å; F237-L260 HydrophobicContact CE1-CD1 4.38Å; F237-L260 HydrophobicContact CE1-CD2 3.57Å; F237-L260 HydrophobicContact CZ-CD2 3.77Å; Y238-L260 HydrophobicContact CE1-CD1 4.36Å; Y238-L260 HydrophobicContact CE1-CD2 4.5Å; L241-L260 HydrophobicContact CD2-CD1 3.43Å; L241-L260 VanDerWaalsContact CD2-CD1 3.43Å; V256-L260 HydrophobicContact CG1-CD1 4.02Å; V256-L260 VanDerWaalsContact O-CG 3.27Å; V256-L260 WeakPolarHBondContact O-CG 3.23Å; V256-L260 PolarHBondContact O-N 3.33Å; V256-L260 VanDerWaalsContact O-N 3.11Å; G257-L260 PolarHBondContact O-N 3.22Å; G257-L260 VanDerWaalsContact O-N 3.13Å; G258-L260 VanDerWaalsContact C-N 3.33Å; L260-F262 PolarHBondContact O-N 3.1Å |
| 261 | E | 96.5 | Very high | 95.7 | Very high | 3 Ų | 3 | 34.5 Ų | 34.5 | 1% | 0.014 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -1.4 | 177.7 | -76.4 | -170.1 | -149.3 | 0 | 0 | 114.4 | Y209 R213 I226 G257 I259 K263 G268 D269 L270 | Y209-E261 HydrophobicContact CE2-CG 4.13Å; Y209-E261 WeakPolarHBondContact CE2-OE1 3.5Å; Y209-E261 VanDerWaalsContact CZ-OE1 3.23Å; Y209-E261 WeakPolarHBondContact OH-CG 3.31Å; Y209-E261 PolarHBondContact OH-OE1 3.46Å; R213-E261 IonicContact CZ-OE1 2.72Å; R213-E261 IonicContact NH1-OE1 3.53Å; R213-E261 PolarHBondContact NH1-OE1 3.38Å; R213-E261 IonicContact NH1-OE2 3.9Å; R213-E261 PolarHBondContact NH1-OE2 2.96Å; I226-E261 HydrophobicContact CG1-CG 4.19Å; G257-E261 PolarHBondContact O-N 2.98Å; I259-E261 VanDerWaalsContact C-N 3.29Å; I259-E261 PolarHBondContact O-N 3.16Å; E261-K263 PolarHBondContact O-N 3.29Å; E261-G268 VanDerWaalsContact O-CA 3.3Å; E261-G268 WeakPolarHBondContact O-CA 3.31Å; E261-D269 PolarHBondContact OE2-N 2.92Å; E261-L270 WeakPolarHBondContact OE1-CB 3.44Å; E261-L270 PolarHBondContact OE2-N 2.92Å |
| 262 | F | 95.1 | Very high | 95.7 | Very high | 24 Ų | 24 | 29.8 Ų | 29.8 | 11% | 0.105 | 14% | 0.139 | C | C | . | . | trans | -50 | 136.9 | -178.3 | 70.7 | -81.2 | 0 | 0 | 0 | 112.2 | E170 D171 R172 N227 H230 I259 L260 R266 | E170-F262 WeakPolarHBondContact O-CB 3.3Å; D171-F262 HydrophobicContact CB-CD2 4.04Å; D171-F262 HydrophobicContact CB-CE1 4.5Å; D171-F262 HydrophobicContact CB-CE2 3.77Å; D171-F262 HydrophobicContact CB-CZ 4.01Å; R172-F262 HydrophobicContact CB-CE1 4.22Å; N227-F262 PolarHBondContact ND2-O 3.43Å; H230-F262 HydrophobicContact CB-CZ 4.32Å; H230-F262 AromaticContact CD2-CZ 3.92Å; H230-F262 AromaticContact CG-CZ 3.97Å; I259-F262 VanDerWaalsContact O-CD1 3.23Å; I259-F262 WeakPolarHBondContact O-CD1 3.17Å; L260-F262 PolarHBondContact O-N 3.1Å; F262-R266 VanDerWaalsContact CA-O 3.28Å; F262-R266 WeakPolarHBondContact CA-O 3.44Å | ||
| 263 | K | 91.5 | Very high | 95.7 | Very high | 100 Ų | 100 | 33.5 Ų | 33.5 | 44% | 0.435 | 15% | 0.153 | S | C | . | . | B | Isolated β-bridge | trans | -138 | 137.1 | 177.8 | -71.3 | 174 | -171.1 | 165.2 | 0 | 108.6 | E261 R265 R266 D269 | E261-K263 PolarHBondContact O-N 3.29Å; K263-R265 PolarHBondContact O-N 3.33Å; K263-R265 VanDerWaalsContact O-N 3.13Å; K263-R266 PolarHBondContact N-O 3.36Å; K263-R266 VanDerWaalsContact N-O 3.13Å; K263-R266 WeakPolarHBondContact O-CB 3.21Å; K263-R266 PolarHBondContact O-N 3.2Å; K263-D269 IonicContact NZ-OD2 3.56Å; K263-D269 PolarHBondContact NZ-OD2 3.45Å |
| 264 | N | 88.3 | Confident | 95.6 | Very high | 140 Ų | 140 | 32.3 Ų | 32.3 | 75% | 0.749 | 15% | 0.147 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.7 | 36.9 | -179.2 | -58 | -29.3 | 0 | 0 | 0 | 113.4 | R266 | N264-R266 VanDerWaalsContact C-N 3.33Å; N264-R266 PolarHBondContact O-N 3.39Å |
| 265 | R | 87.8 | Confident | 95.7 | Very high | 145 Ų | 145 | 32.1 Ų | 32.1 | 55% | 0.547 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | 41.1 | -177.1 | -49.9 | 176.2 | 168.2 | 173.2 | -15.5 | 113 | E169 K263 | E169-R265 HydrophobicContact CG-CB 4.32Å; E169-R265 HydrophobicContact CG-CG 3.82Å; E169-R265 WeakPolarHBondContact OE1-CD 3.18Å; E169-R265 VanDerWaalsContact OE1-CG 3.31Å; E169-R265 WeakPolarHBondContact OE1-CG 3.42Å; E169-R265 IonicContact OE1-CZ 3.77Å; E169-R265 IonicContact OE1-NE 2.82Å; E169-R265 PolarHBondContact OE1-NE 2.86Å; E169-R265 IonicContact OE1-NH2 3.64Å; E169-R265 PolarHBondContact OE1-NH2 3.26Å; E169-R265 IonicContact OE2-CZ 2.75Å; E169-R265 IonicContact OE2-NE 2.96Å; E169-R265 PolarHBondContact OE2-NE 2.99Å; E169-R265 IonicContact OE2-NH2 3.58Å; E169-R265 PolarHBondContact OE2-NH2 2.92Å; E169-R265 VanDerWaalsContact OE2-NH2 3.1Å; K263-R265 PolarHBondContact O-N 3.33Å; K263-R265 VanDerWaalsContact O-N 3.13Å |
| 266 | R | 93 | Very high | 95.6 | Very high | 47 Ų | 47 | 35.2 Ų | 35.2 | 18% | 0.177 | 16% | 0.157 | C | C | . | . | B | Isolated β-bridge | trans | -140.4 | 160.1 | -179.2 | -67.6 | -59.4 | -167.4 | -162.9 | 16 | 109.7 | D81 E170 F262 K263 N264 | D81-R266 HydrophobicContact CB-CG 4.11Å; D81-R266 IonicContact OD1-CZ 3.73Å; D81-R266 IonicContact OD1-NE 2.76Å; D81-R266 PolarHBondContact OD1-NE 3.48Å; D81-R266 IonicContact OD1-NH2 2.7Å; D81-R266 PolarHBondContact OD1-NH2 2.89Å; D81-R266 IonicContact OD2-NE 3.43Å; E170-R266 IonicContact OE1-NH1 3.31Å; E170-R266 PolarHBondContact OE1-NH1 3.43Å; F262-R266 VanDerWaalsContact CA-O 3.28Å; F262-R266 WeakPolarHBondContact CA-O 3.44Å; K263-R266 PolarHBondContact N-O 3.36Å; K263-R266 VanDerWaalsContact N-O 3.13Å; K263-R266 WeakPolarHBondContact O-CB 3.21Å; K263-R266 PolarHBondContact O-N 3.2Å; N264-R266 VanDerWaalsContact C-N 3.33Å; N264-R266 PolarHBondContact O-N 3.39Å |
| 267 | P | 94.2 | Very high | 95.6 | Very high | 5 Ų | 5 | 37 Ų | 37 | 3% | 0.032 | 17% | 0.166 | C | C | . | . | trans | -64.3 | 148.8 | -175.8 | 17.8 | -21.5 | 0 | 0 | 0 | 110.7 | L79 L80 Y109 F271 K272 | L79-P267 WeakPolarHBondContact O-CG 3.44Å; L80-P267 HydrophobicContact CD2-CG 4.19Å; Y109-P267 HydrophobicContact CD1-CB 4.02Å; Y109-P267 HydrophobicContact CD1-CG 4.4Å; Y109-P267 HydrophobicContact CD2-CB 4.31Å; Y109-P267 HydrophobicContact CE1-CB 3.58Å; Y109-P267 HydrophobicContact CE1-CG 3.69Å; Y109-P267 HydrophobicContact CE2-CB 3.92Å; Y109-P267 HydrophobicContact CG-CB 4.34Å; Y109-P267 WeakPolarHBondContact OH-CA 3.17Å; Y109-P267 WeakPolarHBondContact OH-CD 3.49Å; P267-F271 HydrophobicContact CB-CB 4.39Å; P267-K272 HydrophobicContact CB-CG 4.09Å; P267-K272 HydrophobicContact CG-CG 3.84Å; P267-K272 VanDerWaalsContact O-CD 3.25Å; P267-K272 WeakPolarHBondContact O-CD 3.32Å; P267-K272 WeakPolarHBondContact O-CE 3.17Å | ||
| 268 | G | 95.3 | Very high | 95.6 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.01 | 17% | 0.166 | C | C | . | . | trans | -63.9 | 167 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | E261 L270 F271 K272 | E261-G268 VanDerWaalsContact O-CA 3.3Å; E261-G268 WeakPolarHBondContact O-CA 3.31Å; G268-L270 VanDerWaalsContact C-N 3.27Å; G268-L270 PolarHBondContact O-N 3.45Å; G268-F271 PolarHBondContact O-N 3.37Å; G268-K272 WeakPolarHBondContact O-CB 3.44Å; G268-K272 VanDerWaalsContact O-CG 3.31Å; G268-K272 WeakPolarHBondContact O-CG 3.35Å; G268-K272 PolarHBondContact O-N 2.96Å | ||
| 269 | D | 96.1 | Very high | 95.7 | Very high | 59 Ų | 59 | 37.6 Ų | 37.6 | 32% | 0.316 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -58.8 | -37.9 | -177 | -66.4 | -50.3 | 0 | 0 | 0 | 112.2 | L218 E261 K263 R273 | L218-D269 HydrophobicContact CD1-CB 4.27Å; L218-D269 HydrophobicContact CD2-CB 3.79Å; E261-D269 PolarHBondContact OE2-N 2.92Å; K263-D269 IonicContact NZ-OD2 3.56Å; K263-D269 PolarHBondContact NZ-OD2 3.45Å; D269-R273 WeakPolarHBondContact O-CB 3.3Å; D269-R273 VanDerWaalsContact O-CG 3.26Å; D269-R273 WeakPolarHBondContact O-CG 3.29Å; D269-R273 PolarHBondContact O-N 3.44Å |
| 270 | L | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.5 | -53.4 | 178.5 | 178 | 63.2 | 0 | 0 | 0 | 112 | Y209 L212 R213 F216 L218 E261 G268 K272 R273 I274 | Y209-L270 HydrophobicContact CD2-CD2 3.6Å; Y209-L270 HydrophobicContact CE2-CD2 3.64Å; L212-L270 HydrophobicContact CB-CD1 4.19Å; L212-L270 HydrophobicContact CB-CD2 4.39Å; R213-L270 HydrophobicContact CG-CB 4.4Å; R213-L270 HydrophobicContact CG-CD1 4.18Å; R213-L270 HydrophobicContact CG-CD2 4.12Å; R213-L270 HydrophobicContact CG-CG 4.47Å; F216-L270 HydrophobicContact CD2-CD1 4.08Å; L218-L270 VanDerWaalsContact CD1-CA 3.5Å; L218-L270 HydrophobicContact CD1-CB 3.9Å; L218-L270 HydrophobicContact CD1-CD1 4.07Å; E261-L270 WeakPolarHBondContact OE1-CB 3.44Å; E261-L270 PolarHBondContact OE2-N 2.92Å; G268-L270 VanDerWaalsContact C-N 3.27Å; G268-L270 PolarHBondContact O-N 3.45Å; L270-K272 VanDerWaalsContact C-N 3.35Å; L270-K272 PolarHBondContact O-N 2.7Å; L270-R273 PolarHBondContact O-N 3.31Å; L270-I274 HydrophobicContact CD1-CD1 3.8Å; L270-I274 HydrophobicContact CD1-CG1 4.27Å; L270-I274 HydrophobicContact CG-CD1 3.84Å; L270-I274 WeakPolarHBondContact O-CG1 3.43Å; L270-I274 PolarHBondContact O-N 3.34Å |
| 271 | F | 97.7 | Very high | 95.7 | Very high | 1 Ų | 1 | 40 Ų | 40 | 0% | 0.004 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65 | -39.6 | -179.8 | -77 | -3.8 | 0 | 0 | 0 | 111.6 | A105 A106 Y109 G258 I259 P267 G268 R273 I274 I275 | A105-F271 HydrophobicContact CB-CE1 4.28Å; A106-F271 HydrophobicContact CB-CB 4.35Å; A106-F271 HydrophobicContact CB-CD1 3.58Å; A106-F271 HydrophobicContact CB-CE1 4.01Å; A106-F271 HydrophobicContact CB-CG 4.04Å; Y109-F271 HydrophobicContact CD2-CD2 4.16Å; Y109-F271 HydrophobicContact CG-CD2 4.15Å; G258-F271 VanDerWaalsContact CA-CZ 3.48Å; I259-F271 HydrophobicContact CD1-CE2 4.07Å; I259-F271 HydrophobicContact CG1-CE2 4.04Å; P267-F271 HydrophobicContact CB-CB 4.39Å; G268-F271 PolarHBondContact O-N 3.37Å; F271-R273 VanDerWaalsContact C-N 3.3Å; F271-R273 PolarHBondContact O-N 3.14Å; F271-I274 HydrophobicContact CD1-CD1 4.45Å; F271-I274 PolarHBondContact O-N 3.03Å; F271-I275 HydrophobicContact CB-CD1 4.43Å; F271-I275 VanDerWaalsContact O-CB 3.28Å; F271-I275 WeakPolarHBondContact O-CB 3.37Å; F271-I275 WeakPolarHBondContact O-CD1 3.38Å; F271-I275 WeakPolarHBondContact O-CG1 3.32Å; F271-I275 PolarHBondContact O-N 2.83Å |
| 272 | K | 97 | Very high | 95.7 | Very high | 26 Ų | 26 | 42.7 Ų | 42.7 | 11% | 0.113 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -55.1 | -44.8 | 171.6 | -76.4 | 177.2 | 161.6 | -142.6 | 0 | 112.3 | L80 E82 P267 G268 L270 R276 | L80-K272 HydrophobicContact CD2-CG 4.19Å; L80-K272 WeakPolarHBondContact O-CE 2.96Å; L80-K272 PolarHBondContact O-NZ 2.88Å; E82-K272 WeakPolarHBondContact OE1-CD 3.28Å; E82-K272 IonicContact OE1-NZ 3.69Å; E82-K272 PolarHBondContact OE1-NZ 3.16Å; P267-K272 HydrophobicContact CB-CG 4.09Å; P267-K272 HydrophobicContact CG-CG 3.84Å; P267-K272 VanDerWaalsContact O-CD 3.25Å; P267-K272 WeakPolarHBondContact O-CD 3.32Å; P267-K272 WeakPolarHBondContact O-CE 3.17Å; G268-K272 WeakPolarHBondContact O-CB 3.44Å; G268-K272 VanDerWaalsContact O-CG 3.31Å; G268-K272 WeakPolarHBondContact O-CG 3.35Å; G268-K272 PolarHBondContact O-N 2.96Å; L270-K272 VanDerWaalsContact C-N 3.35Å; L270-K272 PolarHBondContact O-N 2.7Å; K272-R276 WeakPolarHBondContact O-CB 3.32Å; K272-R276 PolarHBondContact O-N 3.38Å |
| 273 | R | 97.4 | Very high | 95.9 | Very high | 78 Ų | 78 | 41.8 Ų | 41.8 | 29% | 0.294 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -67.1 | -47.6 | 179 | -76.6 | 174 | -171.2 | -145.2 | 4 | 112.7 | F216 N217 L218 D269 L270 F271 D277 | F216-R273 HydrophobicContact CB-CB 4.34Å; F216-R273 HydrophobicContact CD1-CB 4.16Å; F216-R273 HydrophobicContact CG-CB 4.4Å; F216-R273 PolarHBondContact O-NH1 3.37Å; N217-R273 VanDerWaalsContact C-NH1 3.28Å; N217-R273 PolarHBondContact O-NH1 2.03Å; L218-R273 VanDerWaalsContact CD2-NE 3.27Å; L218-R273 VanDerWaalsContact CD2-NH2 3.31Å; L218-R273 VanDerWaalsContact CG-CZ 3.48Å; D269-R273 WeakPolarHBondContact O-CB 3.3Å; D269-R273 VanDerWaalsContact O-CG 3.26Å; D269-R273 WeakPolarHBondContact O-CG 3.29Å; D269-R273 PolarHBondContact O-N 3.44Å; L270-R273 PolarHBondContact O-N 3.31Å; F271-R273 VanDerWaalsContact C-N 3.3Å; F271-R273 PolarHBondContact O-N 3.14Å; R273-D277 WeakPolarHBondContact O-CB 3.4Å; R273-D277 PolarHBondContact O-N 3.24Å |
| 274 | I | 98 | Very high | 96.2 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.5 | -48.9 | 179.3 | -67 | 165.8 | 0 | 0 | 0 | 110.7 | E101 F102 A106 F216 L270 F271 D277 Q278 | E101-I274 HydrophobicContact CB-CD1 4.35Å; E101-I274 HydrophobicContact CG-CD1 4.18Å; E101-I274 HydrophobicContact CG-CG1 4.23Å; E101-I274 HydrophobicContact CG-CG2 3.99Å; F102-I274 HydrophobicContact CB-CG2 3.86Å; F102-I274 HydrophobicContact CD2-CG2 4.34Å; A106-I274 HydrophobicContact CB-CB 3.73Å; A106-I274 HydrophobicContact CB-CD1 4.03Å; A106-I274 HydrophobicContact CB-CG1 4.49Å; A106-I274 HydrophobicContact CB-CG2 3.47Å; A106-I274 VanDerWaalsContact CB-CG2 3.47Å; F216-I274 HydrophobicContact CD2-CD1 4.44Å; F216-I274 HydrophobicContact CD2-CG1 3.82Å; F216-I274 HydrophobicContact CE1-CG1 4.18Å; F216-I274 HydrophobicContact CE2-CD1 4.1Å; F216-I274 HydrophobicContact CE2-CG1 3.39Å; F216-I274 HydrophobicContact CG-CG1 4.42Å; F216-I274 HydrophobicContact CZ-CB 4.34Å; F216-I274 HydrophobicContact CZ-CG1 3.59Å; L270-I274 HydrophobicContact CD1-CD1 3.8Å; L270-I274 HydrophobicContact CD1-CG1 4.27Å; L270-I274 HydrophobicContact CG-CD1 3.84Å; L270-I274 WeakPolarHBondContact O-CG1 3.43Å; L270-I274 PolarHBondContact O-N 3.34Å; F271-I274 HydrophobicContact CD1-CD1 4.45Å; F271-I274 PolarHBondContact O-N 3.03Å; I274-D277 PolarHBondContact O-N 3.36Å; I274-Q278 WeakPolarHBondContact O-CB 3.23Å; I274-Q278 PolarHBondContact O-N 3.08Å |
| 275 | I | 98 | Very high | 96.6 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.6 | -50.9 | -178.1 | -66.8 | 169.7 | 0 | 0 | 0 | 109.6 | L76 L79 L80 F102 A106 F107 F271 D277 Q278 F279 | L76-I275 HydrophobicContact CD1-CG2 3.8Å; L79-I275 HydrophobicContact CD2-CG2 4.42Å; L80-I275 HydrophobicContact CD1-CG2 4.22Å; L80-I275 HydrophobicContact CD2-CB 4.13Å; L80-I275 HydrophobicContact CD2-CD1 4.25Å; L80-I275 HydrophobicContact CD2-CG2 3.93Å; L80-I275 HydrophobicContact CG-CG2 4.41Å; F102-I275 HydrophobicContact CD2-CG1 4.44Å; F102-I275 HydrophobicContact CE2-CB 4.47Å; F102-I275 HydrophobicContact CE2-CG1 4.32Å; F102-I275 HydrophobicContact CE2-CG2 4.39Å; A106-I275 HydrophobicContact CB-CD1 4.49Å; A106-I275 HydrophobicContact CB-CG1 3.99Å; F107-I275 HydrophobicContact CD2-CD1 4.46Å; F107-I275 HydrophobicContact CD2-CG1 4.31Å; F107-I275 HydrophobicContact CD2-CG2 4.45Å; F271-I275 HydrophobicContact CB-CD1 4.43Å; F271-I275 VanDerWaalsContact O-CB 3.28Å; F271-I275 WeakPolarHBondContact O-CB 3.37Å; F271-I275 WeakPolarHBondContact O-CD1 3.38Å; F271-I275 WeakPolarHBondContact O-CG1 3.32Å; F271-I275 PolarHBondContact O-N 2.83Å; I275-D277 PolarHBondContact O-N 2.56Å; I275-Q278 PolarHBondContact O-N 2.9Å; I275-F279 HydrophobicContact CG2-CD2 3.61Å; I275-F279 HydrophobicContact CG2-CE2 3.69Å; I275-F279 VanDerWaalsContact O-CD2 3.26Å; I275-F279 WeakPolarHBondContact O-CD2 3.37Å; I275-F279 PolarHBondContact O-N 3.4Å |
| 276 | R | 97.4 | Very high | 97 | Very high | 73 Ų | 73 | 27.8 Ų | 27.8 | 28% | 0.275 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -59.4 | -46.6 | 178.4 | 175.1 | 166.7 | 40.6 | 101.2 | -4.1 | 112.7 | L80 K272 Q278 F279 Y280 | L80-R276 HydrophobicContact CD1-CB 3.95Å; K272-R276 WeakPolarHBondContact O-CB 3.32Å; K272-R276 PolarHBondContact O-N 3.38Å; R276-Q278 PolarHBondContact O-N 2.74Å; R276-F279 PolarHBondContact O-N 3.37Å; R276-Y280 HydrophobicContact CG-CD1 4.41Å; R276-Y280 HydrophobicContact CG-CD2 4.03Å; R276-Y280 HydrophobicContact CG-CE1 4.07Å; R276-Y280 HydrophobicContact CG-CE2 3.68Å; R276-Y280 HydrophobicContact CG-CG 4.39Å; R276-Y280 WeakPolarHBondContact O-CB 3.48Å; R276-Y280 WeakPolarHBondContact O-CD1 3.49Å; R276-Y280 PolarHBondContact O-N 3.07Å |
| 277 | D | 97.3 | Very high | 97.1 | Very high | 59 Ų | 59 | 31.1 Ų | 31.1 | 32% | 0.316 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -56.7 | -50 | 177.2 | 173.3 | 78 | 0 | 0 | 0 | 111.1 | F216 R273 I274 I275 F279 Y280 R281 | F216-D277 HydrophobicContact CE1-CB 4.14Å; R273-D277 WeakPolarHBondContact O-CB 3.4Å; R273-D277 PolarHBondContact O-N 3.24Å; I274-D277 PolarHBondContact O-N 3.36Å; I275-D277 PolarHBondContact O-N 2.56Å; D277-F279 PolarHBondContact O-N 2.76Å; D277-Y280 PolarHBondContact O-N 3.4Å; D277-R281 WeakPolarHBondContact O-CB 3.41Å; D277-R281 WeakPolarHBondContact O-CG 3.37Å; D277-R281 PolarHBondContact O-N 3.04Å; D277-R281 IonicContact OD1-NE 2.63Å; D277-R281 IonicContact OD2-CZ 2.91Å; D277-R281 VanDerWaalsContact OD2-CZ 3.31Å; D277-R281 IonicContact OD2-NE 3.78Å; D277-R281 PolarHBondContact OD2-NE 3.36Å; D277-R281 IonicContact OD2-NH2 3.1Å; D277-R281 PolarHBondContact OD2-NH2 3.43Å |
| 278 | Q | 98.2 | Very high | 97.1 | Very high | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.1 | -48.1 | 179.7 | -176.4 | 65.3 | 61.3 | 0 | 0 | 111.9 | G97 S99 F102 I274 I275 R276 Y280 R281 I282 | G97-Q278 PolarHBondContact O-NE2 3.3Å; G97-Q278 PolarHBondContact O-OE1 2.93Å; S99-Q278 PolarHBondContact OG-OE1 3.45Å; F102-Q278 HydrophobicContact CB-CB 4.21Å; F102-Q278 HydrophobicContact CB-CG 4.15Å; F102-Q278 HydrophobicContact CD1-CG 3.88Å; F102-Q278 HydrophobicContact CD2-CB 3.33Å; F102-Q278 HydrophobicContact CD2-CG 3.52Å; F102-Q278 HydrophobicContact CE1-CG 4.08Å; F102-Q278 HydrophobicContact CE2-CB 3.72Å; F102-Q278 HydrophobicContact CE2-CG 3.75Å; F102-Q278 HydrophobicContact CG-CB 3.8Å; F102-Q278 HydrophobicContact CG-CG 3.58Å; F102-Q278 HydrophobicContact CZ-CB 4.48Å; F102-Q278 HydrophobicContact CZ-CG 4.01Å; I274-Q278 WeakPolarHBondContact O-CB 3.23Å; I274-Q278 PolarHBondContact O-N 3.08Å; I275-Q278 PolarHBondContact O-N 2.9Å; R276-Q278 PolarHBondContact O-N 2.74Å; Q278-Y280 VanDerWaalsContact C-N 3.33Å; Q278-Y280 PolarHBondContact O-N 2.97Å; Q278-R281 VanDerWaalsContact CD-NH2 3.34Å; Q278-R281 PolarHBondContact O-N 3.25Å; Q278-I282 VanDerWaalsContact NE2-CG2 3.3Å; Q278-I282 WeakPolarHBondContact O-CG1 3.16Å; Q278-I282 WeakPolarHBondContact O-CG2 2.89Å; Q278-I282 PolarHBondContact O-N 2.79Å |
| 279 | F | 98 | Very high | 97.2 | Very high | 13 Ų | 13 | 36 Ų | 36 | 6% | 0.057 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.7 | -39.2 | 179.8 | -87.1 | -76.6 | 0 | 0 | 0 | 112 | I71 M72 L76 F102 F107 I275 R276 D277 I282 R283 | I71-F279 HydrophobicContact CG2-CD1 4.23Å; I71-F279 HydrophobicContact CG2-CE1 3.47Å; I71-F279 VanDerWaalsContact CG2-CE1 3.47Å; I71-F279 HydrophobicContact CG2-CZ 4.25Å; M72-F279 HydrophobicContact CE-CB 4.14Å; M72-F279 HydrophobicContact CE-CD1 4.09Å; M72-F279 WeakPolarHBondContact CE-O 3.11Å; L76-F279 HydrophobicContact CD1-CB 4.34Å; L76-F279 HydrophobicContact CD1-CD2 3.48Å; L76-F279 VanDerWaalsContact CD1-CD2 3.48Å; L76-F279 HydrophobicContact CD1-CE2 3.89Å; L76-F279 HydrophobicContact CD1-CG 3.92Å; L76-F279 HydrophobicContact CD2-CB 3.55Å; L76-F279 HydrophobicContact CD2-CD1 4.35Å; L76-F279 HydrophobicContact CD2-CD2 4.23Å; L76-F279 HydrophobicContact CD2-CG 3.8Å; L76-F279 HydrophobicContact CG-CD2 4.44Å; L76-F279 HydrophobicContact CG-CG 4.43Å; F102-F279 HydrophobicContact CE2-CD2 4.25Å; F102-F279 HydrophobicContact CE2-CE2 4.02Å; F102-F279 HydrophobicContact CZ-CE2 4.08Å; F107-F279 HydrophobicContact CD2-CE2 4.25Å; F107-F279 AromaticContact CE2-CE2 3.65Å; F107-F279 HydrophobicContact CE2-CE2 3.65Å; F107-F279 AromaticContact CE2-CZ 3.88Å; F107-F279 HydrophobicContact CE2-CZ 3.88Å; F107-F279 HydrophobicContact CZ-CE2 4.25Å; F107-F279 HydrophobicContact CZ-CZ 4.02Å; I275-F279 HydrophobicContact CG2-CD2 3.61Å; I275-F279 HydrophobicContact CG2-CE2 3.69Å; I275-F279 VanDerWaalsContact O-CD2 3.26Å; I275-F279 WeakPolarHBondContact O-CD2 3.37Å; I275-F279 PolarHBondContact O-N 3.4Å; R276-F279 PolarHBondContact O-N 3.37Å; D277-F279 PolarHBondContact O-N 2.76Å; F279-I282 HydrophobicContact CD1-CD1 3.9Å; F279-I282 HydrophobicContact CE1-CD1 4.33Å; F279-I282 WeakPolarHBondContact O-CG1 3.28Å; F279-R283 WeakPolarHBondContact O-CB 3.39Å; F279-R283 PolarHBondContact O-N 3.39Å; F279-R283 VanDerWaalsContact O-N 3.12Å |
| 280 | Y | 97.7 | Very high | 97.2 | Very high | 31 Ų | 31 | 33.2 Ų | 33.2 | 12% | 0.122 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -70.7 | -41.1 | 178.2 | -71 | 7.2 | 0 | 0 | 0 | 111.4 | M72 L76 T84 K85 R276 D277 Q278 R283 D284 | M72-Y280 HydrophobicContact SD-CD1 4.48Å; L76-Y280 HydrophobicContact CD2-CE1 4.27Å; T84-Y280 HydrophobicContact CG2-CE1 3.89Å; K85-Y280 HydrophobicContact CB-CE2 4.03Å; K85-Y280 HydrophobicContact CD-CE2 3.83Å; K85-Y280 HydrophobicContact CG-CE2 3.87Å; K85-Y280 PolarHBondContact N-OH 3.06Å; R276-Y280 HydrophobicContact CG-CD1 4.41Å; R276-Y280 HydrophobicContact CG-CD2 4.03Å; R276-Y280 HydrophobicContact CG-CE1 4.07Å; R276-Y280 HydrophobicContact CG-CE2 3.68Å; R276-Y280 HydrophobicContact CG-CG 4.39Å; R276-Y280 WeakPolarHBondContact O-CB 3.48Å; R276-Y280 WeakPolarHBondContact O-CD1 3.49Å; R276-Y280 PolarHBondContact O-N 3.07Å; D277-Y280 PolarHBondContact O-N 3.4Å; Q278-Y280 VanDerWaalsContact C-N 3.33Å; Q278-Y280 PolarHBondContact O-N 2.97Å; Y280-R283 PolarHBondContact O-N 3.39Å; Y280-D284 VanDerWaalsContact O-CB 3.3Å; Y280-D284 WeakPolarHBondContact O-CB 3.35Å; Y280-D284 PolarHBondContact O-N 3Å |
| 281 | R | 97.3 | Very high | 97.1 | Very high | 34 Ų | 34 | 34.5 Ų | 34.5 | 13% | 0.128 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.5 | -47 | 175.3 | -77.2 | -170.1 | -67.2 | 101.7 | 1.4 | 112.2 | P95 G97 D277 Q278 R283 D284 A285 | P95-R281 PolarHBondContact O-NH1 3.18Å; G97-R281 PolarHBondContact O-NH1 3.42Å; D277-R281 WeakPolarHBondContact O-CB 3.41Å; D277-R281 WeakPolarHBondContact O-CG 3.37Å; D277-R281 PolarHBondContact O-N 3.04Å; D277-R281 IonicContact OD1-NE 2.63Å; D277-R281 IonicContact OD2-CZ 2.91Å; D277-R281 VanDerWaalsContact OD2-CZ 3.31Å; D277-R281 IonicContact OD2-NE 3.78Å; D277-R281 PolarHBondContact OD2-NE 3.36Å; D277-R281 IonicContact OD2-NH2 3.1Å; D277-R281 PolarHBondContact OD2-NH2 3.43Å; Q278-R281 VanDerWaalsContact CD-NH2 3.34Å; Q278-R281 PolarHBondContact O-N 3.25Å; R281-R283 VanDerWaalsContact C-N 3.29Å; R281-R283 PolarHBondContact O-N 3.03Å; R281-D284 PolarHBondContact O-N 2.88Å; R281-A285 WeakPolarHBondContact O-CB 3.33Å; R281-A285 PolarHBondContact O-N 3.07Å |
| 282 | I | 97.4 | Very high | 96.9 | Very high | 60 Ų | 60 | 34.7 Ų | 34.7 | 31% | 0.308 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -63.6 | -37.3 | 178.6 | 63.7 | -179.4 | 0 | 0 | 0 | 111.6 | P96 Q278 F279 D286 | P96-I282 WeakPolarHBondContact O-CG2 3.27Å; Q278-I282 VanDerWaalsContact NE2-CG2 3.3Å; Q278-I282 WeakPolarHBondContact O-CG1 3.16Å; Q278-I282 WeakPolarHBondContact O-CG2 2.89Å; Q278-I282 PolarHBondContact O-N 2.79Å; F279-I282 HydrophobicContact CD1-CD1 3.9Å; F279-I282 HydrophobicContact CE1-CD1 4.33Å; F279-I282 WeakPolarHBondContact O-CG1 3.28Å; I282-D286 WeakPolarHBondContact O-CB 3.21Å; I282-D286 PolarHBondContact O-N 3.35Å |
| 283 | R | 97.8 | Very high | 96.5 | Very high | 5 Ų | 5 | 40.4 Ų | 40.4 | 2% | 0.019 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.6 | -52.2 | 177.9 | -172.8 | -171.1 | 64.8 | -179.9 | 2.2 | 111.8 | M72 K85 Y87 F279 Y280 R281 A285 D286 W289 | M72-R283 HydrophobicContact CE-CB 3.73Å; M72-R283 HydrophobicContact CE-CG 4.12Å; K85-R283 PolarHBondContact O-NH1 2.77Å; Y87-R283 HydrophobicContact CD2-CG 4Å; Y87-R283 HydrophobicContact CE2-CG 4.38Å; F279-R283 WeakPolarHBondContact O-CB 3.39Å; F279-R283 PolarHBondContact O-N 3.39Å; F279-R283 VanDerWaalsContact O-N 3.12Å; Y280-R283 PolarHBondContact O-N 3.39Å; R281-R283 VanDerWaalsContact C-N 3.29Å; R281-R283 PolarHBondContact O-N 3.03Å; R283-A285 VanDerWaalsContact C-N 3.33Å; R283-A285 PolarHBondContact O-N 2.97Å; R283-D286 PolarHBondContact O-N 3.41Å; R283-W289 HydrophobicContact CB-CE3 4.44Å; R283-W289 HydrophobicContact CB-CZ3 4.44Å; R283-W289 HydrophobicContact CG-CD2 3.59Å; R283-W289 HydrophobicContact CG-CE3 3.87Å; R283-W289 HydrophobicContact CG-CG 4.22Å; R283-W289 HydrophobicContact CG-CH2 3.82Å; R283-W289 HydrophobicContact CG-CZ2 3.51Å; R283-W289 HydrophobicContact CG-CZ3 3.96Å |
| 284 | D | 97.6 | Very high | 95.9 | Very high | 35 Ų | 35 | 43.3 Ų | 43.3 | 19% | 0.187 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -76.2 | -25.9 | -171.2 | -62.1 | -7.9 | 0 | 0 | 0 | 111.1 | Y90 N91 L94 Y280 R281 | Y90-D284 CarbonylContact C-O 3.58Å; Y90-D284 WeakPolarHBondContact CA-O 3.14Å; Y90-D284 WeakPolarHBondContact CD2-O 3.46Å; N91-D284 PolarHBondContact N-O 3.28Å; L94-D284 HydrophobicContact CD1-CB 3.73Å; Y280-D284 VanDerWaalsContact O-CB 3.3Å; Y280-D284 WeakPolarHBondContact O-CB 3.35Å; Y280-D284 PolarHBondContact O-N 3Å; R281-D284 PolarHBondContact O-N 2.88Å |
| 285 | A | 97 | Very high | 94.9 | Very high | 11 Ų | 11 | 43.8 Ų | 43.8 | 9% | 0.091 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94 | -2.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y90 L94 P96 R281 R283 R287 | Y90-A285 WeakPolarHBondContact CE2-O 3.47Å; L94-A285 HydrophobicContact CB-CB 3.81Å; L94-A285 WeakPolarHBondContact O-CB 3.49Å; P96-A285 HydrophobicContact CB-CB 3.8Å; P96-A285 HydrophobicContact CG-CB 4.48Å; R281-A285 WeakPolarHBondContact O-CB 3.33Å; R281-A285 PolarHBondContact O-N 3.07Å; R283-A285 VanDerWaalsContact C-N 3.33Å; R283-A285 PolarHBondContact O-N 2.97Å; A285-R287 PolarHBondContact O-N 2.71Å |
| 286 | D | 96.7 | Very high | 93.5 | Very high | 44 Ų | 44 | 50 Ų | 50 | 24% | 0.235 | 22% | 0.224 | C | C | . | . | trans | -86.7 | 108.8 | 177.4 | -177.3 | 11.6 | 0 | 0 | 0 | 110.9 | Q68 I282 R283 F288 W289 | Q68-D286 PolarHBondContact NE2-OD2 3.28Å; I282-D286 WeakPolarHBondContact O-CB 3.21Å; I282-D286 PolarHBondContact O-N 3.35Å; R283-D286 PolarHBondContact O-N 3.41Å; D286-F288 PolarHBondContact O-N 3.28Å; D286-F288 WeakPolarHBondContact OD1-CA 3.31Å; D286-F288 PolarHBondContact OD1-N 2.81Å; D286-W289 HydrophobicContact CB-CB 4.21Å; D286-W289 WeakPolarHBondContact O-CB 3.45Å; D286-W289 PolarHBondContact O-N 3.46Å; D286-W289 PolarHBondContact OD2-N 2.86Å | ||
| 287 | R | 94.4 | Very high | 92 | Very high | 118 Ų | 118 | 48.8 Ų | 48.8 | 45% | 0.445 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -29.5 | 174.3 | -176.1 | 169.7 | 54.4 | 69.9 | 1 | 111.8 | Y90 A285 N292 N295 | Y90-R287 HydrophobicContact CE1-CB 4.31Å; Y90-R287 HydrophobicContact CE1-CG 4.35Å; Y90-R287 HydrophobicContact CE2-CB 3.93Å; A285-R287 PolarHBondContact O-N 2.71Å; R287-N292 PolarHBondContact O-ND2 3.28Å; R287-N295 WeakPolarHBondContact O-CB 3.29Å |
| 288 | F | 94.8 | Very high | 89.8 | Confident | 99 Ų | 99 | 49.2 Ų | 49.2 | 43% | 0.434 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 11.3 | 178.5 | -64 | -77.5 | 0 | 0 | 0 | 113.5 | D286 F290 L313 | D286-F288 PolarHBondContact O-N 3.28Å; D286-F288 WeakPolarHBondContact OD1-CA 3.31Å; D286-F288 PolarHBondContact OD1-N 2.81Å; F288-F290 PolarHBondContact O-N 3.23Å; F288-L313 WeakPolarHBondContact O-CD2 3.29Å |
| 289 | W | 96.7 | Very high | 87.5 | Confident | 9 Ų | 9 | 53.7 Ų | 53.7 | 3% | 0.034 | 25% | 0.246 | C | C | . | . | trans | -52.2 | 131.1 | 170.9 | -176.6 | -112.4 | 0 | 0 | 0 | 110.1 | Q68 M72 Y73 Y87 R283 D286 E291 N292 | Q68-W289 HydrophobicContact CB-CE3 4.23Å; Q68-W289 HydrophobicContact CB-CH2 3.82Å; Q68-W289 HydrophobicContact CB-CZ3 3.53Å; Q68-W289 HydrophobicContact CG-CE3 4.07Å; Q68-W289 HydrophobicContact CG-CH2 4.4Å; Q68-W289 HydrophobicContact CG-CZ3 3.61Å; M72-W289 HydrophobicContact CB-CH2 3.74Å; M72-W289 HydrophobicContact CB-CZ2 4.3Å; M72-W289 HydrophobicContact CE-CH2 4.19Å; M72-W289 HydrophobicContact CG-CH2 3.94Å; M72-W289 HydrophobicContact CG-CZ2 4.14Å; Y73-W289 AromaticContact CE2-CZ2 3.91Å; Y73-W289 HydrophobicContact CE2-CZ2 3.91Å; Y87-W289 AromaticContact CD2-CD1 3.78Å; Y87-W289 AromaticContact CD2-NE1 3.78Å; Y87-W289 AromaticContact CE1-CD1 3.84Å; Y87-W289 AromaticContact CE2-CD1 3.53Å; Y87-W289 HydrophobicContact CE2-CG 4.25Å; Y87-W289 AromaticContact CG-NE1 3.83Å; Y87-W289 AromaticContact CZ-CD1 3.55Å; R283-W289 HydrophobicContact CB-CE3 4.44Å; R283-W289 HydrophobicContact CB-CZ3 4.44Å; R283-W289 HydrophobicContact CG-CD2 3.59Å; R283-W289 HydrophobicContact CG-CE3 3.87Å; R283-W289 HydrophobicContact CG-CG 4.22Å; R283-W289 HydrophobicContact CG-CH2 3.82Å; R283-W289 HydrophobicContact CG-CZ2 3.51Å; R283-W289 HydrophobicContact CG-CZ3 3.96Å; D286-W289 HydrophobicContact CB-CB 4.21Å; D286-W289 WeakPolarHBondContact O-CB 3.45Å; D286-W289 PolarHBondContact O-N 3.46Å; D286-W289 PolarHBondContact OD2-N 2.86Å; W289-E291 PolarHBondContact NE1-OE2 2.91Å; W289-E291 PolarHBondContact O-N 3.41Å; W289-E291 VanDerWaalsContact O-N 3.13Å; W289-N292 HydrophobicContact CB-CB 4.33Å; W289-N292 VanDerWaalsContact O-CB 3.22Å; W289-N292 WeakPolarHBondContact O-CB 3.43Å; W289-N292 PolarHBondContact O-N 2.84Å | ||
| 290 | F | 96.2 | Very high | 85.2 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -25.8 | -169.8 | 78.9 | -82.6 | 0 | 0 | 0 | 113.9 | A65 Q68 N69 Y73 F288 F314 I319 I322 R323 | A65-F290 HydrophobicContact CB-CB 3.45Å; A65-F290 VanDerWaalsContact CB-CB 3.45Å; A65-F290 HydrophobicContact CB-CD2 4.49Å; A65-F290 HydrophobicContact CB-CG 4Å; Q68-F290 HydrophobicContact CB-CD1 3.92Å; Q68-F290 HydrophobicContact CB-CE1 4.24Å; N69-F290 HydrophobicContact CB-CE1 4.08Å; N69-F290 HydrophobicContact CB-CZ 3.83Å; Y73-F290 HydrophobicContact CE2-CE1 4.22Å; Y73-F290 HydrophobicContact CE2-CZ 4.09Å; F288-F290 PolarHBondContact O-N 3.23Å; F290-F314 HydrophobicContact CB-CD2 4.05Å; F290-F314 HydrophobicContact CB-CE2 3.95Å; F290-I319 HydrophobicContact CD2-CG2 4.36Å; F290-I319 HydrophobicContact CE2-CG2 4.26Å; F290-I319 WeakPolarHBondContact O-CD1 3.43Å; F290-I319 WeakPolarHBondContact O-CG1 3.4Å; F290-I322 HydrophobicContact CD2-CB 4.27Å; F290-I322 HydrophobicContact CD2-CG2 3.7Å; F290-I322 HydrophobicContact CE2-CB 4.29Å; F290-I322 HydrophobicContact CE2-CG2 3.67Å; F290-I322 HydrophobicContact CG-CG2 4.41Å; F290-I322 HydrophobicContact CZ-CG2 4.37Å; F290-R323 HydrophobicContact CE2-CG 4.16Å |
| 291 | E | 96 | Very high | 82.9 | Confident | 27 Ų | 27 | 61.2 Ų | 61.2 | 13% | 0.126 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -7.7 | 176.8 | -54.8 | 173.6 | 127.5 | 0 | 0 | 113.3 | Y73 Y87 W289 K293 I319 R323 | Y73-E291 PolarHBondContact OH-OE1 3.37Å; Y73-E291 PolarHBondContact OH-OE2 3.29Å; Y87-E291 WeakPolarHBondContact CB-OE2 3.22Å; Y87-E291 HydrophobicContact CD1-CB 3.69Å; Y87-E291 HydrophobicContact CE1-CB 4.05Å; Y87-E291 HydrophobicContact CG-CB 4.35Å; W289-E291 PolarHBondContact NE1-OE2 2.91Å; W289-E291 PolarHBondContact O-N 3.41Å; W289-E291 VanDerWaalsContact O-N 3.13Å; E291-K293 PolarHBondContact O-N 3.08Å; E291-K293 VanDerWaalsContact O-N 3.09Å; E291-I319 HydrophobicContact CG-CG2 4.16Å; E291-R323 WeakPolarHBondContact OE1-CD 3.46Å; E291-R323 IonicContact OE1-CZ 2.72Å; E291-R323 IonicContact OE1-NE 3.41Å; E291-R323 IonicContact OE1-NH1 3.83Å; E291-R323 PolarHBondContact OE1-NH1 2.84Å |
| 292 | N | 94.3 | Very high | 80 | Confident | 5 Ų | 5 | 65.2 Ų | 65.2 | 3% | 0.027 | 33% | 0.331 | C | S | . | . | trans | -70.3 | 105.2 | 178.4 | -177.2 | 7.8 | 0 | 0 | 0 | 110.5 | R287 W289 E294 N295 | R287-N292 PolarHBondContact O-ND2 3.28Å; W289-N292 HydrophobicContact CB-CB 4.33Å; W289-N292 VanDerWaalsContact O-CB 3.22Å; W289-N292 WeakPolarHBondContact O-CB 3.43Å; W289-N292 PolarHBondContact O-N 2.84Å; N292-E294 VanDerWaalsContact C-N 3.27Å; N292-E294 PolarHBondContact O-N 3.18Å; N292-E294 WeakPolarHBondContact OD1-CB 3.22Å; N292-E294 PolarHBondContact OD1-N 2.73Å; N292-N295 HydrophobicContact CB-CB 4.41Å; N292-N295 PolarHBondContact O-ND2 2.93Å; N292-N295 PolarHBondContact O-OD1 2.98Å; N292-N295 VanDerWaalsContact O-OD1 3.06Å | ||
| 293 | K | 88.6 | Confident | 77.6 | Confident | 147 Ų | 147 | 72.7 Ų | 72.7 | 64% | 0.639 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -11.5 | 178.6 | -62.5 | 178.7 | -176.4 | 174.9 | 0 | 113.5 | E291 I319 | E291-K293 PolarHBondContact O-N 3.08Å; E291-K293 VanDerWaalsContact O-N 3.09Å; K293-I319 HydrophobicContact CG-CD1 4.15Å |
| 294 | E | 84.1 | Confident | 75 | Confident | 139 Ų | 139 | 75 Ų | 75 | 65% | 0.65 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -3.5 | -178.4 | -59.7 | -177.5 | -179.5 | 0 | 0 | 113.1 | N292 K296 | N292-E294 VanDerWaalsContact C-N 3.27Å; N292-E294 PolarHBondContact O-N 3.18Å; N292-E294 WeakPolarHBondContact OD1-CB 3.22Å; N292-E294 PolarHBondContact OD1-N 2.73Å; E294-K296 PolarHBondContact O-N 3.37Å |
| 295 | N | 78.1 | Confident | 72.6 | Confident | 9 Ų | 9 | 83.9 Ų | 83.9 | 5% | 0.048 | 41% | 0.41 | C | S | . | . | trans | -74.1 | 43.8 | -177.2 | 65.9 | 14.3 | 0 | 0 | 0 | 114.7 | R287 N292 Y297 L313 | R287-N295 WeakPolarHBondContact O-CB 3.29Å; N292-N295 HydrophobicContact CB-CB 4.41Å; N292-N295 PolarHBondContact O-ND2 2.93Å; N292-N295 PolarHBondContact O-OD1 2.98Å; N292-N295 VanDerWaalsContact O-OD1 3.06Å; N295-Y297 PolarHBondContact O-N 3.38Å; N295-L313 WeakPolarHBondContact ND2-CB 3.46Å; N295-L313 WeakPolarHBondContact OD1-CB 3.49Å; N295-L313 PolarHBondContact OD1-N 3.37Å | ||
| 296 | K | 69.1 | Low | 70.2 | Confident | 130 Ų | 130 | 90.3 Ų | 90.3 | 57% | 0.565 | 44% | 0.435 | S | S | * | . | trans | -61.2 | 125.8 | 177.5 | -71.2 | -178.9 | -177.6 | -178.4 | 0 | 110.6 | E294 L310 Y311 | E294-K296 PolarHBondContact O-N 3.37Å; K296-L310 HydrophobicContact CB-CB 3.96Å; K296-L310 HydrophobicContact CB-CD2 3.99Å; K296-L310 HydrophobicContact CB-CG 4.37Å; K296-L310 HydrophobicContact CD-CB 3.91Å; K296-L310 HydrophobicContact CD-CD1 4.02Å; K296-L310 HydrophobicContact CD-CG 4.48Å; K296-L310 HydrophobicContact CG-CB 4.12Å; K296-Y311 CarbonylContact C-O 3.58Å; K296-Y311 WeakPolarHBondContact CA-O 3.39Å | ||
| 297 | Y | 64.3 | Low | 67.8 | Low | 49 Ų | 49 | 97.4 Ų | 97.4 | 19% | 0.192 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 150.5 | 173.1 | 67.3 | -88.5 | 0 | 0 | 0 | 110.8 | R61 N295 Y299 Y311 | R61-Y297 PolarHBondContact NH1-OH 2.94Å; N295-Y297 PolarHBondContact O-N 3.38Å; Y297-Y299 HydrophobicContact CD2-CD2 4.24Å; Y297-Y299 AromaticContact CE2-CD2 3.56Å; Y297-Y299 HydrophobicContact CE2-CD2 3.56Å; Y297-Y299 HydrophobicContact CE2-CE2 4.49Å; Y297-Y299 HydrophobicContact CE2-CG 4.09Å; Y297-Y311 WeakPolarHBondContact CD1-O 3.48Å; Y297-Y311 WeakPolarHBondContact CE1-O 2.98Å; Y297-Y311 PolarHBondContact N-O 3.11Å; Y297-Y311 PolarHBondContact O-N 3.4Å |
| 298 | S | 50.8 | Low | 65.4 | Low | 68 Ų | 68 | 94.5 Ų | 94.5 | 48% | 0.476 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 116.8 | 169.1 | 175.8 | 0 | 0 | 0 | 0 | 108.9 | T308 | S298-T308 WeakPolarHBondContact OG-CG2 3.44Å |
| 299 | Y | 50.7 | Low | 63.3 | Low | 95 Ų | 95 | 92.5 Ų | 92.5 | 37% | 0.373 | 45% | 0.454 | S | S | . | . | trans | -99.2 | 97.9 | 164.2 | -148.4 | -106.2 | 0 | 0 | 0 | 105.1 | Y297 | Y297-Y299 HydrophobicContact CD2-CD2 4.24Å; Y297-Y299 AromaticContact CE2-CD2 3.56Å; Y297-Y299 HydrophobicContact CE2-CD2 3.56Å; Y297-Y299 HydrophobicContact CE2-CE2 4.49Å; Y297-Y299 HydrophobicContact CE2-CG 4.09Å | ||
| 300 | L | 49.4 | Very low | 61.2 | Low | 120 Ų | 120 | 97 Ų | 97 | 63% | 0.628 | 48% | 0.478 | S | S | * | . | trans | 155.1 | 121.5 | 156.5 | -83.2 | 158.3 | 0 | 0 | 0 | 109.9 | N302 | L300-N302 PolarHBondContact O-N 3.13Š| ||
| 301 | G | 48.7 | Very low | 59.6 | Low | 81 Ų | 81 | 102.3 Ų | 102.3 | 84% | 0.835 | 50% | 0.499 | S | S | * | . | trans | -70 | 45.2 | 167.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 302 | N | 37.2 | Very low | 58.6 | Low | 118 Ų | 118 | 102.9 Ų | 102.9 | 63% | 0.631 | 51% | 0.506 | S | S | * | . | trans | -101.5 | 120.5 | 168.8 | -77.3 | -15 | 0 | 0 | 0 | 108.4 | L300 S304 | L300-N302 PolarHBondContact O-N 3.13Å; N302-S304 PolarHBondContact O-N 3.48Å | ||
| 303 | F | 47.9 | Very low | 58.3 | Low | 218 Ų | 218 | 103.1 Ų | 103.1 | 96% | 0.956 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -59 | 11.5 | -178.3 | -105.4 | -94.5 | 0 | 0 | 0 | 115.8 | ||
| 304 | S | 43.4 | Very low | 58.6 | Low | 54 Ų | 54 | 96.3 Ų | 96.3 | 38% | 0.378 | 48% | 0.477 | S | S | . | . | trans | -107.6 | 99.3 | -179.8 | -170.1 | 0 | 0 | 0 | 0 | 110.8 | N302 K306 | N302-S304 PolarHBondContact O-N 3.48Å; S304-K306 PolarHBondContact O-N 3.4Å; S304-K306 VanDerWaalsContact O-N 3.08Å | ||
| 305 | W | 47.1 | Very low | 58.9 | Low | 221 Ų | 221 | 93 Ų | 93 | 84% | 0.837 | 47% | 0.467 | S | S | * | . | G | 310 helix | trans | -59.1 | -10.8 | 169.5 | 51.1 | -83.8 | 0 | 0 | 0 | 113.6 | ||
| 306 | K | 45.3 | Very low | 59.6 | Low | 146 Ų | 146 | 94.4 Ų | 94.4 | 64% | 0.635 | 48% | 0.483 | S | S | * | . | G | 310 helix | trans | -81.8 | -13.3 | -173.2 | -150.7 | 175 | -176.6 | -179.3 | 0 | 114.1 | S304 | S304-K306 PolarHBondContact O-N 3.4Å; S304-K306 VanDerWaalsContact O-N 3.08Å |
| 307 | Y | 46.5 | Very low | 60.8 | Low | 192 Ų | 192 | 95.1 Ų | 95.1 | 75% | 0.753 | 49% | 0.486 | S | S | * | . | G | 310 helix | trans | -137.7 | 26.7 | -175.8 | -62.3 | -77.3 | 0 | 0 | 0 | 113.7 | S309 | Y307-S309 PolarHBondContact O-N 3.21Å; Y307-S309 VanDerWaalsContact O-N 3.12Å |
| 308 | T | 45.3 | Very low | 62.2 | Low | 58 Ų | 58 | 94.3 Ų | 94.3 | 36% | 0.356 | 48% | 0.484 | S | S | . | . | trans | -78.3 | 99.7 | -179.4 | -38.8 | 0 | 0 | 0 | 0 | 110.1 | S298 L310 | S298-T308 WeakPolarHBondContact OG-CG2 3.44Å; T308-L310 PolarHBondContact O-N 3.21Å | ||
| 309 | S | 49 | Very low | 64.4 | Low | 56 Ų | 56 | 91.8 Ų | 91.8 | 39% | 0.392 | 47% | 0.465 | S | S | . | . | trans | -64.7 | 114.9 | 165.3 | 46.4 | 0 | 0 | 0 | 0 | 108.5 | Y307 Y311 | Y307-S309 PolarHBondContact O-N 3.21Å; Y307-S309 VanDerWaalsContact O-N 3.12Å; S309-Y311 WeakPolarHBondContact O-CD2 3.47Å; S309-Y311 WeakPolarHBondContact O-CE2 3.39Å; S309-Y311 PolarHBondContact O-N 2.83Å; S309-Y311 WeakPolarHBondContact OG-CE2 3.31Å; S309-Y311 PolarHBondContact OG-OH 2.75Å | ||
| 310 | L | 54.1 | Low | 66.6 | Low | 104 Ų | 104 | 93.3 Ų | 93.3 | 55% | 0.545 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 108.7 | 174.2 | -77 | 166.2 | 0 | 0 | 0 | 108.4 | K296 T308 | K296-L310 HydrophobicContact CB-CB 3.96Å; K296-L310 HydrophobicContact CB-CD2 3.99Å; K296-L310 HydrophobicContact CB-CG 4.37Å; K296-L310 HydrophobicContact CD-CB 3.91Å; K296-L310 HydrophobicContact CD-CD1 4.02Å; K296-L310 HydrophobicContact CD-CG 4.48Å; K296-L310 HydrophobicContact CG-CB 4.12Å; T308-L310 PolarHBondContact O-N 3.21Å |
| 311 | Y | 62.5 | Low | 68.8 | Low | 112 Ų | 112 | 90.9 Ų | 90.9 | 44% | 0.439 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 129.7 | 176 | -64.2 | -81.5 | 0 | 0 | 0 | 109.3 | K296 Y297 S309 | K296-Y311 CarbonylContact C-O 3.58Å; K296-Y311 WeakPolarHBondContact CA-O 3.39Å; Y297-Y311 WeakPolarHBondContact CD1-O 3.48Å; Y297-Y311 WeakPolarHBondContact CE1-O 2.98Å; Y297-Y311 PolarHBondContact N-O 3.11Å; Y297-Y311 PolarHBondContact O-N 3.4Å; S309-Y311 WeakPolarHBondContact O-CD2 3.47Å; S309-Y311 WeakPolarHBondContact O-CE2 3.39Å; S309-Y311 PolarHBondContact O-N 2.83Å; S309-Y311 WeakPolarHBondContact OG-CE2 3.31Å; S309-Y311 PolarHBondContact OG-OH 2.75Å |
| 312 | S | 75.1 | Confident | 71.2 | Confident | 38 Ų | 38 | 87 Ų | 87 | 27% | 0.266 | 42% | 0.421 | S | S | . | . | trans | -73.6 | 158.4 | 164.1 | 58.5 | 0 | 0 | 0 | 0 | 109.8 | F314 | S312-F314 WeakPolarHBondContact CB-O 3.36Å; S312-F314 PolarHBondContact O-N 3.27Å; S312-F314 PolarHBondContact OG-O 3.36Å | ||
| 313 | L | 87.9 | Confident | 74 | Confident | 10 Ų | 10 | 86.1 Ų | 86.1 | 5% | 0.052 | 41% | 0.409 | C | S | . | . | S | Bend | trans | -58.6 | -40.7 | 176 | -167.8 | 71.6 | 0 | 0 | 0 | 111.5 | R58 R61 F288 N295 | R58-L313 PolarHBondContact NH1-O 3.02Å; R61-L313 HydrophobicContact CB-CD1 4.45Å; R61-L313 HydrophobicContact CG-CD1 3.87Å; F288-L313 WeakPolarHBondContact O-CD2 3.29Å; N295-L313 WeakPolarHBondContact ND2-CB 3.46Å; N295-L313 WeakPolarHBondContact OD1-CB 3.49Å; N295-L313 PolarHBondContact OD1-N 3.37Å |
| 314 | F | 92.9 | Very high | 76.4 | Confident | 5 Ų | 5 | 83.2 Ų | 83.2 | 2% | 0.022 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -139.2 | 148.5 | 175 | -63 | -72.9 | 0 | 0 | 0 | 110.7 | R61 Y62 A65 F290 S312 E318 I319 I322 | R61-F314 HydrophobicContact CB-CZ 3.97Å; R61-F314 WeakPolarHBondContact O-CZ 3.43Å; Y62-F314 HydrophobicContact CD1-CE1 4.05Å; Y62-F314 HydrophobicContact CD2-CE1 4.26Å; Y62-F314 HydrophobicContact CE1-CD1 4.46Å; Y62-F314 HydrophobicContact CE1-CE1 4.01Å; Y62-F314 HydrophobicContact CE2-CE1 4.23Å; Y62-F314 HydrophobicContact CG-CE1 4.18Å; A65-F314 HydrophobicContact CB-CE2 3.58Å; A65-F314 HydrophobicContact CB-CZ 3.62Å; F290-F314 HydrophobicContact CB-CD2 4.05Å; F290-F314 HydrophobicContact CB-CE2 3.95Å; S312-F314 WeakPolarHBondContact CB-O 3.36Å; S312-F314 PolarHBondContact O-N 3.27Å; S312-F314 PolarHBondContact OG-O 3.36Å; F314-E318 VanDerWaalsContact CA-OE2 3.32Å; F314-E318 WeakPolarHBondContact CA-OE2 3.46Å; F314-E318 HydrophobicContact CB-CB 3.96Å; F314-E318 HydrophobicContact CD1-CB 4.03Å; F314-E318 HydrophobicContact CG-CB 4.43Å; F314-I319 HydrophobicContact CB-CD1 4.44Å; F314-I319 HydrophobicContact CB-CG1 3.78Å; F314-I322 HydrophobicContact CD1-CD1 3.69Å; F314-I322 HydrophobicContact CD2-CD1 4.18Å; F314-I322 HydrophobicContact CE1-CD1 3.66Å; F314-I322 HydrophobicContact CE2-CD1 4.16Å; F314-I322 HydrophobicContact CG-CD1 3.95Å; F314-I322 HydrophobicContact CZ-CD1 3.9Å |
| 315 | T | 91.5 | Very high | 79 | Confident | 70 Ų | 70 | 82 Ų | 82 | 43% | 0.429 | 39% | 0.385 | S | S | . | . | trans | -75.3 | 163.9 | 167.6 | 67.4 | 0 | 0 | 0 | 0 | 110.4 | K317 E318 I319 | T315-K317 VanDerWaalsContact C-N 3.25Å; T315-K317 PolarHBondContact O-N 3.23Å; T315-E318 PolarHBondContact N-OE2 3.13Å; T315-E318 PolarHBondContact O-N 3.32Å; T315-E318 VanDerWaalsContact O-N 3.1Å; T315-E318 VanDerWaalsContact OG1-CG 3.3Å; T315-E318 WeakPolarHBondContact OG1-CG 3.31Å; T315-E318 PolarHBondContact OG1-N 3.12Å; T315-E318 PolarHBondContact OG1-OE2 3.13Å; T315-I319 WeakPolarHBondContact O-CG1 3.38Å; T315-I319 PolarHBondContact O-N 3.27Å | ||
| 316 | G | 91.8 | Very high | 81.4 | Confident | 37 Ų | 37 | 72.2 Ų | 72.2 | 38% | 0.381 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -55.6 | -40.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | I319 E320 | G316-I319 PolarHBondContact O-N 3.02Å; G316-E320 WeakPolarHBondContact O-CG 3.27Å; G316-E320 PolarHBondContact O-N 2.96Å; G316-E320 VanDerWaalsContact O-N 3.07Å |
| 317 | K | 94.4 | Very high | 83.9 | Confident | 146 Ų | 146 | 66.2 Ų | 66.2 | 64% | 0.635 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -63.8 | -42.1 | 175.9 | -174.9 | -179 | 176.4 | -174.9 | 0 | 112.3 | T315 I319 E320 E321 | T315-K317 VanDerWaalsContact C-N 3.25Å; T315-K317 PolarHBondContact O-N 3.23Å; K317-I319 VanDerWaalsContact C-N 3.34Å; K317-I319 PolarHBondContact O-N 3.14Å; K317-E320 PolarHBondContact O-N 2.89Å; K317-E321 WeakPolarHBondContact CE-OE1 3.46Å; K317-E321 WeakPolarHBondContact O-CG 3.35Å; K317-E321 PolarHBondContact O-N 2.6Å |
| 318 | E | 95.4 | Very high | 86.4 | Confident | 31 Ų | 31 | 58.1 Ų | 58.1 | 15% | 0.145 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.8 | -37.6 | 177.8 | -71.8 | 172.5 | 143.7 | 0 | 0 | 111.8 | R58 Y62 F314 T315 E321 I322 | R58-E318 IonicContact CZ-OE1 3.49Å; R58-E318 IonicContact NH2-OE1 3.92Å; R58-E318 PolarHBondContact NH2-OE1 2.89Å; R58-E318 IonicContact NH2-OE2 2.71Å; R58-E318 PolarHBondContact NH2-OE2 3.28Å; Y62-E318 PolarHBondContact OH-OE1 3.07Å; F314-E318 VanDerWaalsContact CA-OE2 3.32Å; F314-E318 WeakPolarHBondContact CA-OE2 3.46Å; F314-E318 HydrophobicContact CB-CB 3.96Å; F314-E318 HydrophobicContact CD1-CB 4.03Å; F314-E318 HydrophobicContact CG-CB 4.43Å; T315-E318 PolarHBondContact N-OE2 3.13Å; T315-E318 PolarHBondContact O-N 3.32Å; T315-E318 VanDerWaalsContact O-N 3.1Å; T315-E318 VanDerWaalsContact OG1-CG 3.3Å; T315-E318 WeakPolarHBondContact OG1-CG 3.31Å; T315-E318 PolarHBondContact OG1-N 3.12Å; T315-E318 PolarHBondContact OG1-OE2 3.13Å; E318-E321 PolarHBondContact O-N 3.37Å; E318-I322 WeakPolarHBondContact O-CD1 3.19Å; E318-I322 VanDerWaalsContact O-CG1 3.23Å; E318-I322 WeakPolarHBondContact O-CG1 3.34Å; E318-I322 PolarHBondContact O-N 2.75Å |
| 319 | I | 96.4 | Very high | 88.9 | Confident | 15 Ų | 15 | 57.9 Ų | 57.9 | 8% | 0.077 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.2 | -46.3 | 174.2 | -64.8 | 168.9 | 0 | 0 | 0 | 110.1 | F290 E291 K293 F314 T315 G316 K317 E321 I322 R323 | F290-I319 HydrophobicContact CD2-CG2 4.36Å; F290-I319 HydrophobicContact CE2-CG2 4.26Å; F290-I319 WeakPolarHBondContact O-CD1 3.43Å; F290-I319 WeakPolarHBondContact O-CG1 3.4Å; E291-I319 HydrophobicContact CG-CG2 4.16Å; K293-I319 HydrophobicContact CG-CD1 4.15Å; F314-I319 HydrophobicContact CB-CD1 4.44Å; F314-I319 HydrophobicContact CB-CG1 3.78Å; T315-I319 WeakPolarHBondContact O-CG1 3.38Å; T315-I319 PolarHBondContact O-N 3.27Å; G316-I319 PolarHBondContact O-N 3.02Å; K317-I319 VanDerWaalsContact C-N 3.34Å; K317-I319 PolarHBondContact O-N 3.14Å; I319-E321 VanDerWaalsContact C-N 3.3Å; I319-E321 PolarHBondContact O-N 3.27Å; I319-I322 PolarHBondContact O-N 3.28Å; I319-R323 HydrophobicContact CG2-CG 4.36Å; I319-R323 WeakPolarHBondContact O-CB 3.17Å; I319-R323 VanDerWaalsContact O-CG 3.3Å; I319-R323 WeakPolarHBondContact O-CG 3.39Å; I319-R323 PolarHBondContact O-N 3.28Å |
| 320 | E | 96.4 | Very high | 91.2 | Very high | 127 Ų | 127 | 55.2 Ų | 55.2 | 59% | 0.593 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -61.8 | -36.1 | 176.3 | -72.2 | 173.8 | -165 | 0 | 0 | 112.9 | G316 K317 K324 | G316-E320 WeakPolarHBondContact O-CG 3.27Å; G316-E320 PolarHBondContact O-N 2.96Å; G316-E320 VanDerWaalsContact O-N 3.07Å; K317-E320 PolarHBondContact O-N 2.89Å; E320-K324 WeakPolarHBondContact O-CG 3.38Å |
| 321 | E | 96.6 | Very high | 93.3 | Very high | 69 Ų | 69 | 50.6 Ų | 50.6 | 32% | 0.322 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -65.5 | -46.9 | 172.9 | -74.8 | 176 | -168.1 | 0 | 0 | 111.2 | R42 K317 E318 I319 R323 K324 I325 | R42-E321 IonicContact NH2-OE2 3.12Å; K317-E321 WeakPolarHBondContact CE-OE1 3.46Å; K317-E321 WeakPolarHBondContact O-CG 3.35Å; K317-E321 PolarHBondContact O-N 2.6Å; E318-E321 PolarHBondContact O-N 3.37Å; I319-E321 VanDerWaalsContact C-N 3.3Å; I319-E321 PolarHBondContact O-N 3.27Å; E321-R323 VanDerWaalsContact C-N 3.34Å; E321-R323 PolarHBondContact O-N 3.38Å; E321-K324 PolarHBondContact O-N 3.5Å; E321-I325 WeakPolarHBondContact O-CG1 3.33Å |
| 322 | I | 97.6 | Very high | 95 | Very high | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63 | -41.1 | 179.7 | -69.2 | 158.9 | 0 | 0 | 0 | 111.2 | Y62 A65 N69 F290 F314 E318 I319 K324 I325 | Y62-I322 HydrophobicContact CD1-CD1 4.16Å; Y62-I322 HydrophobicContact CD1-CG1 4.2Å; Y62-I322 HydrophobicContact CE1-CD1 4.09Å; Y62-I322 HydrophobicContact CE1-CG1 4.18Å; A65-I322 HydrophobicContact CB-CD1 3.84Å; A65-I322 HydrophobicContact CB-CG2 4.08Å; N69-I322 HydrophobicContact CB-CG2 4.14Å; N69-I322 PolarHBondContact ND2-O 3.17Å; F290-I322 HydrophobicContact CD2-CB 4.27Å; F290-I322 HydrophobicContact CD2-CG2 3.7Å; F290-I322 HydrophobicContact CE2-CB 4.29Å; F290-I322 HydrophobicContact CE2-CG2 3.67Å; F290-I322 HydrophobicContact CG-CG2 4.41Å; F290-I322 HydrophobicContact CZ-CG2 4.37Å; F314-I322 HydrophobicContact CD1-CD1 3.69Å; F314-I322 HydrophobicContact CD2-CD1 4.18Å; F314-I322 HydrophobicContact CE1-CD1 3.66Å; F314-I322 HydrophobicContact CE2-CD1 4.16Å; F314-I322 HydrophobicContact CG-CD1 3.95Å; F314-I322 HydrophobicContact CZ-CD1 3.9Å; E318-I322 WeakPolarHBondContact O-CD1 3.19Å; E318-I322 VanDerWaalsContact O-CG1 3.23Å; E318-I322 WeakPolarHBondContact O-CG1 3.34Å; E318-I322 PolarHBondContact O-N 2.75Å; I319-I322 PolarHBondContact O-N 3.28Å; I322-K324 PolarHBondContact O-N 3.02Å; I322-K324 VanDerWaalsContact O-N 3.14Å; I322-I325 WeakPolarHBondContact O-CB 3.16Å; I322-I325 PolarHBondContact O-N 2.86Å |
| 323 | R | 97.2 | Very high | 96 | Very high | 98 Ų | 98 | 51.7 Ų | 51.7 | 37% | 0.37 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -58.8 | -24.2 | 177.9 | -78 | -60.2 | -54.2 | -143.1 | 10.5 | 114 | N69 Y73 F290 E291 I319 E321 | N69-R323 WeakPolarHBondContact OD1-CD 3.15Å; N69-R323 PolarHBondContact OD1-NE 2.93Å; Y73-R323 VanDerWaalsContact CD2-NH1 3.3Å; F290-R323 HydrophobicContact CE2-CG 4.16Å; E291-R323 WeakPolarHBondContact OE1-CD 3.46Å; E291-R323 IonicContact OE1-CZ 2.72Å; E291-R323 IonicContact OE1-NE 3.41Å; E291-R323 IonicContact OE1-NH1 3.83Å; E291-R323 PolarHBondContact OE1-NH1 2.84Å; I319-R323 HydrophobicContact CG2-CG 4.36Å; I319-R323 WeakPolarHBondContact O-CB 3.17Å; I319-R323 VanDerWaalsContact O-CG 3.3Å; I319-R323 WeakPolarHBondContact O-CG 3.39Å; I319-R323 PolarHBondContact O-N 3.28Å; E321-R323 VanDerWaalsContact C-N 3.34Å; E321-R323 PolarHBondContact O-N 3.38Å |
| 324 | K | 97.5 | Very high | 96.4 | Very high | 157 Ų | 157 | 51.6 Ų | 51.6 | 68% | 0.683 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -11.2 | 178.7 | -68.3 | 170.4 | -174.9 | 175.1 | 0 | 113.1 | E320 E321 I322 S326 | E320-K324 WeakPolarHBondContact O-CG 3.38Å; E321-K324 PolarHBondContact O-N 3.5Å; I322-K324 PolarHBondContact O-N 3.02Å; I322-K324 VanDerWaalsContact O-N 3.14Å; K324-S326 PolarHBondContact O-N 3.13Å |
| 325 | I | 97.9 | Very high | 96.6 | Very high | 29 Ų | 29 | 52 Ų | 52 | 15% | 0.149 | 25% | 0.251 | C | S | . | . | trans | -82.4 | 114.8 | -177.1 | -55.5 | 175.3 | 0 | 0 | 0 | 109 | W35 T66 N69 E321 I322 D329 | W35-I325 HydrophobicContact CH2-CD1 4.35Å; W35-I325 HydrophobicContact CH2-CG2 3.98Å; W35-I325 HydrophobicContact CZ2-CD1 4.03Å; W35-I325 HydrophobicContact CZ2-CG2 4.15Å; T66-I325 HydrophobicContact CG2-CB 4.37Å; T66-I325 HydrophobicContact CG2-CG2 3.64Å; N69-I325 PolarHBondContact ND2-O 3.23Å; E321-I325 WeakPolarHBondContact O-CG1 3.33Å; I322-I325 WeakPolarHBondContact O-CB 3.16Å; I322-I325 PolarHBondContact O-N 2.86Å; I325-D329 HydrophobicContact CG2-CB 4.16Å | ||
| 326 | S | 98 | Very high | 96.9 | Very high | 15 Ų | 15 | 55.9 Ų | 55.9 | 11% | 0.105 | 26% | 0.264 | C | S | . | . | trans | -92.6 | 169 | 173.2 | 62.8 | 0 | 0 | 0 | 0 | 112.3 | E74 K324 H328 D329 L330 | E74-S326 WeakPolarHBondContact OE1-CA 3.48Å; E74-S326 WeakPolarHBondContact OE1-CB 3.36Å; K324-S326 PolarHBondContact O-N 3.13Å; S326-H328 PolarHBondContact O-N 3.03Å; S326-H328 WeakPolarHBondContact OG-CB 3.39Å; S326-H328 PolarHBondContact OG-N 2.71Å; S326-D329 PolarHBondContact N-OD2 2.81Å; S326-D329 PolarHBondContact O-N 2.86Å; S326-D329 PolarHBondContact OG-N 3.41Å; S326-D329 VanDerWaalsContact OG-N 3.1Å; S326-D329 PolarHBondContact OG-OD2 2.85Å; S326-L330 PolarHBondContact O-N 3.31Å | ||
| 327 | L | 98.1 | Very high | 97.2 | Very high | 20 Ų | 20 | 54.4 Ų | 54.4 | 11% | 0.105 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.7 | -32.9 | 168.8 | -176.5 | 56.1 | 0 | 0 | 0 | 111.8 | F28 M31 I70 E74 L330 I331 V346 F347 | F28-L327 HydrophobicContact CE2-CD1 4.18Å; M31-L327 HydrophobicContact CE-CD1 4.16Å; I70-L327 HydrophobicContact CD1-CB 4.37Å; I70-L327 HydrophobicContact CD1-CD1 4.44Å; I70-L327 HydrophobicContact CG2-CB 3.9Å; E74-L327 PolarHBondContact OE2-N 3.28Å; L327-L330 HydrophobicContact CD1-CB 4.46Å; L327-L330 HydrophobicContact CD1-CD2 4.39Å; L327-L330 PolarHBondContact O-N 2.95Å; L327-I331 HydrophobicContact CG-CD1 4.14Å; L327-I331 WeakPolarHBondContact O-CG1 3.5Å; L327-I331 PolarHBondContact O-N 3.02Å; L327-V346 HydrophobicContact CB-CG2 3.7Å; L327-V346 HydrophobicContact CD2-CG2 3.55Å; L327-V346 HydrophobicContact CG-CG2 3.62Å; L327-F347 HydrophobicContact CB-CE2 4.18Å; L327-F347 HydrophobicContact CB-CZ 4.29Å; L327-F347 HydrophobicContact CD2-CE1 3.97Å; L327-F347 HydrophobicContact CD2-CE2 4.12Å; L327-F347 HydrophobicContact CD2-CZ 3.57Å |
| 328 | H | 98.3 | Very high | 97.3 | Very high | 22 Ų | 22 | 51.4 Ų | 51.4 | 10% | 0.102 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -57.4 | -49.2 | 171.7 | 167.2 | -79 | 0 | 0 | 0 | 111.3 | S326 L330 I331 I332 Q343 K344 V346 | S326-H328 PolarHBondContact O-N 3.03Å; S326-H328 WeakPolarHBondContact OG-CB 3.39Å; S326-H328 PolarHBondContact OG-N 2.71Å; H328-L330 VanDerWaalsContact C-N 3.26Å; H328-L330 PolarHBondContact O-N 2.86Å; H328-I331 WeakPolarHBondContact O-CB 3.38Å; H328-I331 PolarHBondContact O-N 2.72Å; H328-I331 VanDerWaalsContact O-N 3.14Å; H328-I332 WeakPolarHBondContact O-CG1 3.49Å; H328-I332 PolarHBondContact O-N 2.66Å; H328-Q343 PolarHBondContact CD2-O 3.4Å; H328-K344 VanDerWaalsContact CB-O 3.31Å; H328-K344 WeakPolarHBondContact CB-O 3.33Å; H328-V346 HydrophobicContact CB-CG1 4.18Å |
| 329 | D | 97.6 | Very high | 97.4 | Very high | 53 Ų | 53 | 53.3 Ų | 53.3 | 28% | 0.283 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.5 | -35.4 | 179.2 | -60.1 | -54.5 | 0 | 0 | 0 | 112.6 | I325 S326 R333 | I325-D329 HydrophobicContact CG2-CB 4.16Å; S326-D329 PolarHBondContact N-OD2 2.81Å; S326-D329 PolarHBondContact O-N 2.86Å; S326-D329 PolarHBondContact OG-N 3.41Å; S326-D329 VanDerWaalsContact OG-N 3.1Å; S326-D329 PolarHBondContact OG-OD2 2.85Å; D329-R333 WeakPolarHBondContact O-CB 3.4Å; D329-R333 WeakPolarHBondContact O-CG 3.39Å; D329-R333 PolarHBondContact O-N 3.35Å; D329-R333 VanDerWaalsContact O-N 3.16Å |
| 330 | L | 97.5 | Very high | 97.4 | Very high | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.1 | -44.7 | 175.1 | -170.6 | 153.1 | 0 | 0 | 0 | 110.8 | M31 L32 W35 T66 I70 S326 L327 H328 R333 T334 | M31-L330 HydrophobicContact CB-CD2 3.93Å; M31-L330 HydrophobicContact CE-CD2 3.36Å; L32-L330 HydrophobicContact CD2-CD1 4.03Å; W35-L330 HydrophobicContact CD2-CD1 4.3Å; W35-L330 HydrophobicContact CD2-CG 4.18Å; W35-L330 HydrophobicContact CE3-CB 4.39Å; W35-L330 HydrophobicContact CE3-CG 3.93Å; W35-L330 HydrophobicContact CG-CD1 4.3Å; W35-L330 HydrophobicContact CG-CG 4.43Å; W35-L330 HydrophobicContact CZ3-CB 4.38Å; W35-L330 HydrophobicContact CZ3-CG 4.41Å; T66-L330 HydrophobicContact CG2-CD1 4.05Å; I70-L330 HydrophobicContact CD1-CB 4.31Å; I70-L330 HydrophobicContact CD1-CD1 3.86Å; S326-L330 PolarHBondContact O-N 3.31Å; L327-L330 HydrophobicContact CD1-CB 4.46Å; L327-L330 HydrophobicContact CD1-CD2 4.39Å; L327-L330 PolarHBondContact O-N 2.95Å; H328-L330 VanDerWaalsContact C-N 3.26Å; H328-L330 PolarHBondContact O-N 2.86Å; L330-R333 PolarHBondContact O-N 2.88Å; L330-T334 HydrophobicContact CD2-CG2 4.49Å; L330-T334 WeakPolarHBondContact O-CB 3.44Å; L330-T334 VanDerWaalsContact O-CG2 3.3Å; L330-T334 WeakPolarHBondContact O-CG2 3.44Å; L330-T334 PolarHBondContact O-N 3.33Å; L330-T334 PolarHBondContact O-OG1 3.02Å |
| 331 | I | 98.1 | Very high | 97.4 | Very high | 7 Ų | 7 | 54.6 Ų | 54.6 | 4% | 0.036 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.2 | -54.1 | 176.5 | -70.2 | 162.7 | 0 | 0 | 0 | 110.4 | M31 I159 L327 H328 R333 T334 T335 I337 I342 V346 | M31-I331 HydrophobicContact CE-CB 4.48Å; M31-I331 HydrophobicContact CE-CD1 4.4Å; M31-I331 HydrophobicContact CE-CG1 3.41Å; M31-I331 VanDerWaalsContact CE-CG1 3.41Å; M31-I331 HydrophobicContact SD-CG1 4.45Å; I159-I331 HydrophobicContact CG2-CD1 4.05Å; I159-I331 HydrophobicContact CG2-CG1 4.12Å; I159-I331 HydrophobicContact CG2-CG2 3.86Å; L327-I331 HydrophobicContact CG-CD1 4.14Å; L327-I331 WeakPolarHBondContact O-CG1 3.5Å; L327-I331 PolarHBondContact O-N 3.02Å; H328-I331 WeakPolarHBondContact O-CB 3.38Å; H328-I331 PolarHBondContact O-N 2.72Å; H328-I331 VanDerWaalsContact O-N 3.14Å; I331-R333 VanDerWaalsContact C-N 3.26Å; I331-R333 PolarHBondContact O-N 3.29Å; I331-T334 PolarHBondContact O-N 3.41Å; I331-T334 VanDerWaalsContact O-N 3.1Å; I331-T335 HydrophobicContact CG2-CG2 4.29Å; I331-T335 WeakPolarHBondContact O-CB 3.43Å; I331-T335 WeakPolarHBondContact O-CG2 3.42Å; I331-T335 PolarHBondContact O-N 3.49Å; I331-T335 PolarHBondContact O-OG1 3.05Å; I331-I337 HydrophobicContact CG2-CB 4.44Å; I331-I337 HydrophobicContact CG2-CD1 3.76Å; I331-I342 HydrophobicContact CD1-CD1 3.81Å; I331-I342 HydrophobicContact CG2-CD1 4.08Å; I331-V346 HydrophobicContact CD1-CB 4.46Å; I331-V346 HydrophobicContact CD1-CG1 4.02Å; I331-V346 HydrophobicContact CD1-CG2 4.32Å |
| 332 | I | 97.9 | Very high | 97.5 | Very high | 41 Ų | 41 | 51.6 Ų | 51.6 | 21% | 0.21 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.8 | -35.1 | -176.9 | -62.2 | -53.7 | 0 | 0 | 0 | 112.4 | H328 I337 P339 I342 | H328-I332 WeakPolarHBondContact O-CG1 3.49Å; H328-I332 PolarHBondContact O-N 2.66Å; I332-I337 HydrophobicContact CD1-CB 4.47Å; I332-I337 HydrophobicContact CD1-CG2 4.05Å; I332-I337 WeakPolarHBondContact CD1-O 3.27Å; I332-P339 HydrophobicContact CD1-CG 4.33Å; I332-P339 HydrophobicContact CG1-CG 4.45Å; I332-P339 HydrophobicContact CG2-CG 4.07Å; I332-I342 HydrophobicContact CD1-CG2 3.88Å |
| 333 | R | 96.7 | Very high | 97.5 | Very high | 131 Ų | 131 | 51.7 Ų | 51.7 | 49% | 0.494 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -82.2 | -15.1 | -179.8 | -68.3 | -175 | -171.4 | -94.4 | 0.7 | 114.5 | W35 W38 D329 L330 I331 | W35-R333 HydrophobicContact CE3-CB 4.27Å; W35-R333 HydrophobicContact CZ3-CB 3.81Å; W35-R333 HydrophobicContact CZ3-CG 4.21Å; W38-R333 VanDerWaalsContact CH2-NH1 3.29Å; D329-R333 WeakPolarHBondContact O-CB 3.4Å; D329-R333 WeakPolarHBondContact O-CG 3.39Å; D329-R333 PolarHBondContact O-N 3.35Å; D329-R333 VanDerWaalsContact O-N 3.16Å; L330-R333 PolarHBondContact O-N 2.88Å; I331-R333 VanDerWaalsContact C-N 3.26Å; I331-R333 PolarHBondContact O-N 3.29Å |
| 334 | T | 97.4 | Very high | 97.4 | Very high | 8 Ų | 8 | 55.7 Ų | 55.7 | 5% | 0.049 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -116.1 | -2.2 | -172.8 | 60.6 | 0 | 0 | 0 | 0 | 114 | M31 R34 W35 L330 I331 | M31-T334 WeakPolarHBondContact O-CG2 3.42Å; R34-T334 HydrophobicContact CB-CG2 4.02Å; R34-T334 WeakPolarHBondContact CD-O 3.32Å; R34-T334 PolarHBondContact NH1-O 3.39Å; W35-T334 HydrophobicContact CB-CG2 3.85Å; W35-T334 HydrophobicContact CE3-CG2 3.9Å; L330-T334 HydrophobicContact CD2-CG2 4.49Å; L330-T334 WeakPolarHBondContact O-CB 3.44Å; L330-T334 VanDerWaalsContact O-CG2 3.3Å; L330-T334 WeakPolarHBondContact O-CG2 3.44Å; L330-T334 PolarHBondContact O-N 3.33Å; L330-T334 PolarHBondContact O-OG1 3.02Å; I331-T334 PolarHBondContact O-N 3.41Å; I331-T334 VanDerWaalsContact O-N 3.1Å |
| 335 | T | 97.2 | Very high | 97.4 | Very high | 15 Ų | 15 | 51.9 Ų | 51.9 | 9% | 0.092 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -129.7 | 177.9 | -179.3 | 68.3 | 0 | 0 | 0 | 0 | 110.4 | M155 I159 I331 I337 | M155-T335 HydrophobicContact CE-CG2 3.63Å; I159-T335 HydrophobicContact CD1-CG2 3.59Å; I331-T335 HydrophobicContact CG2-CG2 4.29Å; I331-T335 WeakPolarHBondContact O-CB 3.43Å; I331-T335 WeakPolarHBondContact O-CG2 3.42Å; I331-T335 PolarHBondContact O-N 3.49Å; I331-T335 PolarHBondContact O-OG1 3.05Å; T335-I337 VanDerWaalsContact C-N 3.3Å; T335-I337 HydrophobicContact CG2-CD1 4.14Å; T335-I337 VanDerWaalsContact OG1-CB 3.28Å; T335-I337 WeakPolarHBondContact OG1-CB 3.1Å; T335-I337 WeakPolarHBondContact OG1-CG1 3.22Å; T335-I337 PolarHBondContact OG1-N 3.07Å |
| 336 | H | 96.7 | Very high | 97.3 | Very high | 151 Ų | 151 | 51.5 Ų | 51.5 | 70% | 0.699 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -94.2 | 11 | 170.1 | -47.2 | 88.6 | 0 | 0 | 0 | 112.2 | D156 | D156-H336 WeakPolarHBondContact OD2-CB 3.28Å; D156-H336 IonicContact OD2-CG 2.71Å; D156-H336 PolarHBondContact OD2-N 3.32Å; D156-H336 IonicContact OD2-ND1 3.24Å; D156-H336 PolarHBondContact OD2-ND1 3.41Å |
| 337 | I | 97.7 | Very high | 97.3 | Very high | 6 Ų | 6 | 53.7 Ų | 53.7 | 3% | 0.031 | 26% | 0.259 | C | S | . | . | trans | -70.4 | 133.3 | 179.7 | -62.8 | 165.6 | 0 | 0 | 0 | 109.3 | D156 I159 L160 I331 I332 T335 E341 I342 | D156-I337 HydrophobicContact CB-CD1 4.3Å; D156-I337 HydrophobicContact CB-CG1 4.08Å; I159-I337 HydrophobicContact CB-CD1 4.01Å; I159-I337 HydrophobicContact CG2-CD1 3.73Å; L160-I337 HydrophobicContact CD1-CD1 4.41Å; L160-I337 HydrophobicContact CD1-CG1 4.08Å; L160-I337 HydrophobicContact CD2-CB 4.48Å; L160-I337 HydrophobicContact CD2-CD1 3.91Å; L160-I337 HydrophobicContact CD2-CG1 4.03Å; L160-I337 HydrophobicContact CD2-CG2 3.63Å; L160-I337 HydrophobicContact CG-CD1 3.72Å; L160-I337 HydrophobicContact CG-CG1 3.9Å; L160-I337 HydrophobicContact CG-CG2 4.43Å; I331-I337 HydrophobicContact CG2-CB 4.44Å; I331-I337 HydrophobicContact CG2-CD1 3.76Å; I332-I337 HydrophobicContact CD1-CB 4.47Å; I332-I337 HydrophobicContact CD1-CG2 4.05Å; I332-I337 WeakPolarHBondContact CD1-O 3.27Å; T335-I337 VanDerWaalsContact C-N 3.3Å; T335-I337 HydrophobicContact CG2-CD1 4.14Å; T335-I337 VanDerWaalsContact OG1-CB 3.28Å; T335-I337 WeakPolarHBondContact OG1-CB 3.1Å; T335-I337 WeakPolarHBondContact OG1-CG1 3.22Å; T335-I337 PolarHBondContact OG1-N 3.07Å; I337-E341 WeakPolarHBondContact CA-OE2 3.38Å; I337-E341 HydrophobicContact CG2-CB 4.14Å; I337-I342 HydrophobicContact CG2-CB 4.3Å; I337-I342 HydrophobicContact CG2-CG2 3.99Å | ||
| 338 | L | 97.8 | Very high | 97.2 | Very high | 82 Ų | 82 | 55.2 Ų | 55.2 | 43% | 0.429 | 27% | 0.265 | S | S | . | . | trans | -86.5 | 149.3 | 176.7 | -55.7 | 174.8 | 0 | 0 | 0 | 111.4 | E340 E341 | L338-E340 HydrophobicContact CB-CG 4.36Å; L338-E340 WeakPolarHBondContact CB-OE2 3.43Å; L338-E340 WeakPolarHBondContact CD1-OE1 3.37Å; L338-E340 PolarHBondContact O-N 3.34Å; L338-E340 VanDerWaalsContact O-N 3.09Å; L338-E341 HydrophobicContact CB-CG 3.96Å; L338-E341 PolarHBondContact N-OE2 2.79Å; L338-E341 WeakPolarHBondContact O-CB 3.4Å; L338-E341 PolarHBondContact O-N 3.17Å | ||
| 339 | P | 97.3 | Very high | 97.2 | Very high | 72 Ų | 72 | 57 Ų | 57 | 47% | 0.468 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -26.3 | -177.7 | -27.2 | 35.6 | 0 | 0 | 0 | 115.7 | I332 | I332-P339 HydrophobicContact CD1-CG 4.33Å; I332-P339 HydrophobicContact CG1-CG 4.45Å; I332-P339 HydrophobicContact CG2-CG 4.07Å |
| 340 | E | 96 | Very high | 97.1 | Very high | 133 Ų | 133 | 59.8 Ų | 59.8 | 62% | 0.621 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -15.3 | 178 | 61.5 | -88.9 | -152.1 | 0 | 0 | 113.9 | L338 | L338-E340 HydrophobicContact CB-CG 4.36Å; L338-E340 WeakPolarHBondContact CB-OE2 3.43Å; L338-E340 WeakPolarHBondContact CD1-OE1 3.37Å; L338-E340 PolarHBondContact O-N 3.34Å; L338-E340 VanDerWaalsContact O-N 3.09Å |
| 341 | E | 97.2 | Very high | 97 | Very high | 36 Ų | 36 | 69.7 Ų | 69.7 | 17% | 0.168 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -88.1 | -7.4 | -174.7 | -59.7 | 175.8 | 153.6 | 0 | 0 | 112.8 | R121 G123 L160 I337 L338 | R121-E341 PolarHBondContact NH1-O 2.71Å; R121-E341 PolarHBondContact NH2-O 2.87Å; G123-E341 WeakPolarHBondContact CA-OE1 3.4Å; L160-E341 HydrophobicContact CD2-CB 4.3Å; I337-E341 WeakPolarHBondContact CA-OE2 3.38Å; I337-E341 HydrophobicContact CG2-CB 4.14Å; L338-E341 HydrophobicContact CB-CG 3.96Å; L338-E341 PolarHBondContact N-OE2 2.79Å; L338-E341 WeakPolarHBondContact O-CB 3.4Å; L338-E341 PolarHBondContact O-N 3.17Å |
| 342 | I | 97.6 | Very high | 96.8 | Very high | 5 Ų | 5 | 73 Ų | 73 | 3% | 0.026 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -142.8 | 146.5 | -174.2 | -168.8 | 169.8 | 0 | 0 | 0 | 110.7 | L160 A163 I331 I332 I337 V346 | L160-I342 HydrophobicContact CD2-CB 4.28Å; A163-I342 HydrophobicContact CB-CD1 3.72Å; A163-I342 HydrophobicContact CB-CG1 3.89Å; I331-I342 HydrophobicContact CD1-CD1 3.81Å; I331-I342 HydrophobicContact CG2-CD1 4.08Å; I332-I342 HydrophobicContact CD1-CG2 3.88Å; I337-I342 HydrophobicContact CG2-CB 4.3Å; I337-I342 HydrophobicContact CG2-CG2 3.99Å; I342-V346 HydrophobicContact CD1-CG1 3.65Å; I342-V346 HydrophobicContact CG1-CG1 3.85Å |
| 343 | Q | 97.3 | Very high | 96.8 | Very high | 4 Ų | 4 | 73.1 Ų | 73.1 | 2% | 0.019 | 36% | 0.361 | C | S | . | . | trans | -73 | 152.7 | 178.5 | 71.9 | -82.8 | 22.4 | 0 | 0 | 112.5 | A163 H328 N345 V346 F348 D353 | A163-Q343 PolarHBondContact O-NE2 3.43Å; H328-Q343 PolarHBondContact CD2-O 3.4Å; Q343-N345 WeakPolarHBondContact CG-O 3.22Å; Q343-N345 PolarHBondContact O-N 2.89Å; Q343-V346 VanDerWaalsContact O-CG1 3.25Å; Q343-V346 WeakPolarHBondContact O-CG1 3.33Å; Q343-F348 PolarHBondContact NE2-O 2.71Å; Q343-F348 VanDerWaalsContact NE2-O 3.14Å; Q343-D353 HydrophobicContact CB-CB 3.86Å; Q343-D353 VanDerWaalsContact CB-CG 3.48Å | ||
| 344 | K | 96.5 | Very high | 96.8 | Very high | 182 Ų | 182 | 68.5 Ų | 68.5 | 79% | 0.791 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -64.6 | -40.2 | -179.1 | -69 | -173.9 | 178.3 | -179.7 | 0 | 113.4 | H328 | H328-K344 VanDerWaalsContact CB-O 3.31Å; H328-K344 WeakPolarHBondContact CB-O 3.33Å |
| 345 | N | 96.2 | Very high | 96.8 | Very high | 76 Ų | 76 | 68.4 Ų | 68.4 | 41% | 0.406 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -101.6 | 89.4 | 175 | -176.4 | -0.6 | 0 | 0 | 0 | 109.3 | Q343 F347 F348 | Q343-N345 WeakPolarHBondContact CG-O 3.22Å; Q343-N345 PolarHBondContact O-N 2.89Å; N345-F347 PolarHBondContact O-N 2.97Å; N345-F347 VanDerWaalsContact O-N 3.13Å; N345-F347 PolarHBondContact OD1-N 2.95Å; N345-F348 PolarHBondContact O-N 2.87Å |
| 346 | V | 97.1 | Very high | 96.8 | Very high | 21 Ų | 21 | 71.3 Ų | 71.3 | 13% | 0.127 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -8.8 | -172.5 | -61.6 | 0 | 0 | 0 | 0 | 114.9 | L327 H328 I331 I342 Q343 F348 | L327-V346 HydrophobicContact CB-CG2 3.7Å; L327-V346 HydrophobicContact CD2-CG2 3.55Å; L327-V346 HydrophobicContact CG-CG2 3.62Å; H328-V346 HydrophobicContact CB-CG1 4.18Å; I331-V346 HydrophobicContact CD1-CB 4.46Å; I331-V346 HydrophobicContact CD1-CG1 4.02Å; I331-V346 HydrophobicContact CD1-CG2 4.32Å; I342-V346 HydrophobicContact CD1-CG1 3.65Å; I342-V346 HydrophobicContact CG1-CG1 3.85Å; Q343-V346 VanDerWaalsContact O-CG1 3.25Å; Q343-V346 WeakPolarHBondContact O-CG1 3.33Å; V346-F348 VanDerWaalsContact C-N 3.34Å |
| 347 | F | 96.7 | Very high | 96.8 | Very high | 61 Ų | 61 | 65.9 Ų | 65.9 | 27% | 0.268 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -18.6 | 176.3 | -65.3 | -74.1 | 0 | 0 | 0 | 113.2 | I70 E74 F75 A78 L327 N345 | I70-F347 HydrophobicContact CG2-CZ 4.12Å; E74-F347 HydrophobicContact CB-CD2 3.97Å; E74-F347 HydrophobicContact CB-CE2 3.4Å; E74-F347 HydrophobicContact CB-CZ 4.26Å; E74-F347 HydrophobicContact CG-CE2 4.48Å; F75-F347 HydrophobicContact CB-CE1 3.87Å; F75-F347 HydrophobicContact CB-CZ 3.83Å; F75-F347 HydrophobicContact CD2-CD1 4.29Å; F75-F347 AromaticContact CD2-CE1 3.81Å; F75-F347 HydrophobicContact CD2-CE1 3.81Å; F75-F347 HydrophobicContact CG-CE1 4.33Å; A78-F347 HydrophobicContact CB-CB 3.86Å; A78-F347 HydrophobicContact CB-CG 4.13Å; L327-F347 HydrophobicContact CB-CE2 4.18Å; L327-F347 HydrophobicContact CB-CZ 4.29Å; L327-F347 HydrophobicContact CD2-CE1 3.97Å; L327-F347 HydrophobicContact CD2-CE2 4.12Å; L327-F347 HydrophobicContact CD2-CZ 3.57Å; N345-F347 PolarHBondContact O-N 2.97Å; N345-F347 VanDerWaalsContact O-N 3.13Å; N345-F347 PolarHBondContact OD1-N 2.95Å |
| 348 | F | 96.5 | Very high | 96.6 | Very high | 53 Ų | 53 | 69.1 Ų | 69.1 | 23% | 0.232 | 36% | 0.363 | C | S | . | . | trans | -130.7 | 148.5 | 177.9 | -61.4 | -72.9 | 0 | 0 | 0 | 109.7 | A78 Q343 N345 V346 | A78-F348 HydrophobicContact CB-CE2 3.52Å; A78-F348 HydrophobicContact CB-CZ 3.63Å; Q343-F348 PolarHBondContact NE2-O 2.71Å; Q343-F348 VanDerWaalsContact NE2-O 3.14Å; N345-F348 PolarHBondContact O-N 2.87Å; V346-F348 VanDerWaalsContact C-N 3.34Å | ||
| 349 | W | 97.5 | Very high | 96.5 | Very high | 59 Ų | 59 | 68.5 Ų | 68.5 | 22% | 0.223 | 36% | 0.357 | C | S | . | . | trans | -117.1 | 126.2 | 168.3 | -172.5 | 98.5 | 0 | 0 | 0 | 107.8 | I166 D353 P354 P356 | I166-W349 HydrophobicContact CD1-CB 3.75Å; I166-W349 HydrophobicContact CD1-CE3 4.44Å; I166-W349 HydrophobicContact CD1-CG 4.48Å; W349-D353 HydrophobicContact CD2-CB 4.36Å; W349-D353 HydrophobicContact CG-CB 4.33Å; W349-D353 HydrophobicContact CZ2-CB 4.34Å; W349-D353 WeakPolarHBondContact CZ2-O 3.16Å; W349-P354 PolarHBondContact NE1-O 2.91Å; W349-P356 HydrophobicContact CH2-CB 3.59Å; W349-P356 HydrophobicContact CZ2-CB 3.45Å; W349-P356 VanDerWaalsContact CZ2-CB 3.45Å; W349-P356 HydrophobicContact CZ2-CG 4.3Å | ||
| 350 | H | 96.3 | Very high | 96.5 | Very high | 111 Ų | 111 | 68.2 Ų | 68.2 | 51% | 0.514 | 35% | 0.349 | S | S | . | . | trans | -120.2 | 158.8 | -177.8 | -64.7 | -52.1 | 0 | 0 | 0 | 111.4 | G352 D353 | H350-G352 PolarHBondContact O-N 3.36Å; H350-D353 PolarHBondContact N-OD2 3.38Å; H350-D353 VanDerWaalsContact O-CB 3.29Å; H350-D353 WeakPolarHBondContact O-CB 2.99Å; H350-D353 PolarHBondContact O-N 2.02Å | ||
| 351 | K | 95 | Very high | 96.3 | Very high | 210 Ų | 210 | 61.9 Ų | 61.9 | 91% | 0.913 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | 115.9 | 174.7 | -175.3 | -179.4 | -179.7 | -179.6 | 0 | 109.9 | ||
| 352 | G | 94.7 | Very high | 96.1 | Very high | 75 Ų | 75 | 66.3 Ų | 66.3 | 77% | 0.773 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 115.3 | -15.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | H350 | H350-G352 PolarHBondContact O-N 3.36Š|
| 353 | D | 97.2 | Very high | 95.9 | Very high | 45 Ų | 45 | 68.1 Ų | 68.1 | 24% | 0.241 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -69.4 | 153.2 | 171 | -71.8 | -22.6 | 0 | 0 | 0 | 111.3 | Q343 W349 H350 | Q343-D353 HydrophobicContact CB-CB 3.86Å; Q343-D353 VanDerWaalsContact CB-CG 3.48Å; W349-D353 HydrophobicContact CD2-CB 4.36Å; W349-D353 HydrophobicContact CG-CB 4.33Å; W349-D353 HydrophobicContact CZ2-CB 4.34Å; W349-D353 WeakPolarHBondContact CZ2-O 3.16Å; H350-D353 PolarHBondContact N-OD2 3.38Å; H350-D353 VanDerWaalsContact O-CB 3.29Å; H350-D353 WeakPolarHBondContact O-CB 2.99Å; H350-D353 PolarHBondContact O-N 2.02Å |
| 354 | P | 96.8 | Very high | 95.7 | Very high | 34 Ų | 34 | 74.4 Ų | 74.4 | 22% | 0.221 | 39% | 0.385 | C | S | . | . | S | Bend | trans | -62 | 147.5 | -179.9 | 24.8 | -34 | 0 | 0 | 0 | 111.9 | W349 | W349-P354 PolarHBondContact NE1-O 2.91Š|
| 355 | C | 96.9 | Very high | 95.5 | Very high | 5 Ų | 5 | 68.8 Ų | 68.8 | 3% | 0.034 | 36% | 0.363 | C | S | . | . | S | Bend | trans | 51.8 | 72.5 | 167.8 | -39.9 | 0 | 0 | 0 | 0 | 115 | R121 C125 S164 | R121-C355 PolarHBondContact NH1-SG 3.5Å; C125-C355 WeakPolarHBondContact CA-SG 3.28Å; C125-C355 HydrophobicContact CB-CB 3.62Å; C125-C355 WeakPolarHBondContact CB-SG 3.03Å; C125-C355 WeakPolarHBondContact SG-CA 3.4Å; C125-C355 WeakPolarHBondContact SG-CB 3.4Å; C125-C355 CovalentContact SG-SG 2.03Å; C125-C355 PolarHBondContact SG-SG 2.84Å; S164-C355 VanDerWaalsContact CB-O 3.23Å; S164-C355 WeakPolarHBondContact CB-O 3.37Å; S164-C355 PolarHBondContact OG-O 3.36Å |
| 356 | P | 97 | Very high | 95.5 | Very high | 77 Ų | 77 | 65.5 Ų | 65.5 | 50% | 0.5 | 35% | 0.345 | S | S | . | . | trans | -56.8 | 142.1 | 173.3 | 23.4 | -33.1 | 0 | 0 | 0 | 111.6 | F127 W349 | F127-P356 VanDerWaalsContact CE2-O 3.24Å; F127-P356 WeakPolarHBondContact CE2-O 2.96Å; F127-P356 WeakPolarHBondContact CZ-O 3.32Å; W349-P356 HydrophobicContact CH2-CB 3.59Å; W349-P356 HydrophobicContact CZ2-CB 3.45Å; W349-P356 VanDerWaalsContact CZ2-CB 3.45Å; W349-P356 HydrophobicContact CZ2-CG 4.3Å | ||
| 357 | Q | 96.8 | Very high | 95.5 | Very high | 37 Ų | 37 | 68.4 Ų | 68.4 | 17% | 0.173 | 36% | 0.357 | C | S | . | . | trans | -57.4 | 141.9 | 170.2 | 66.5 | 174 | 16.2 | 0 | 0 | 111 | F119 I166 F359 | F119-Q357 HydrophobicContact CD2-CB 4.25Å; F119-Q357 HydrophobicContact CE2-CB 3.94Å; I166-Q357 HydrophobicContact CG1-CG 4.4Å; Q357-F359 VanDerWaalsContact C-N 3.34Å; Q357-F359 PolarHBondContact O-N 3.01Å | ||
| 358 | P | 95.1 | Very high | 95.4 | Very high | 73 Ų | 73 | 69.8 Ų | 69.8 | 47% | 0.474 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -68.7 | -33 | -176.2 | 26.3 | -34.5 | 0 | 0 | 0 | 112.7 | F119 F127 | F119-P358 HydrophobicContact CD1-CG 4.27Å; F119-P358 HydrophobicContact CE1-CG 3.56Å; F119-P358 HydrophobicContact CE2-CG 4.22Å; F119-P358 HydrophobicContact CZ-CG 3.53Å; F127-P358 HydrophobicContact CD1-CG 4.44Å; F127-P358 HydrophobicContact CD2-CG 4.49Å; F127-P358 HydrophobicContact CG-CG 4.28Å |
| 359 | F | 95 | Very high | 95.3 | Very high | 70 Ų | 70 | 69 Ų | 69 | 31% | 0.307 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -163.5 | 164.6 | 177.9 | 53.7 | -96.3 | 0 | 0 | 0 | 109.9 | F119 P135 Q357 V361 M365 | F119-F359 HydrophobicContact CE1-CE1 4.15Å; F119-F359 HydrophobicContact CE1-CE2 4.09Å; F119-F359 AromaticContact CE1-CZ 3.74Å; F119-F359 HydrophobicContact CE1-CZ 3.74Å; F119-F359 WeakPolarHBondContact CE2-O 3.09Å; F119-F359 HydrophobicContact CZ-CD1 4.47Å; F119-F359 HydrophobicContact CZ-CD2 4Å; F119-F359 HydrophobicContact CZ-CE1 4.18Å; F119-F359 AromaticContact CZ-CE2 3.7Å; F119-F359 HydrophobicContact CZ-CE2 3.7Å; F119-F359 HydrophobicContact CZ-CG 4.38Å; F119-F359 AromaticContact CZ-CZ 3.78Å; F119-F359 HydrophobicContact CZ-CZ 3.78Å; F119-F359 WeakPolarHBondContact CZ-O 3.31Å; P135-F359 HydrophobicContact CB-CE1 4.17Å; P135-F359 HydrophobicContact CB-CZ 3.71Å; P135-F359 HydrophobicContact CG-CE1 4.48Å; P135-F359 HydrophobicContact CG-CE2 4.49Å; P135-F359 HydrophobicContact CG-CZ 3.67Å; Q357-F359 VanDerWaalsContact C-N 3.34Å; Q357-F359 PolarHBondContact O-N 3.01Å; F359-V361 HydrophobicContact CE2-CG2 4.17Å; F359-V361 PolarHBondContact O-N 3.17Å; F359-M365 HydrophobicContact CD2-CE 3.47Å; F359-M365 VanDerWaalsContact CD2-CE 3.47Å; F359-M365 HydrophobicContact CD2-SD 4.28Å; F359-M365 HydrophobicContact CE2-CE 3.47Å; F359-M365 VanDerWaalsContact CE2-CE 3.47Å; F359-M365 HydrophobicContact CE2-SD 4.21Å |
| 360 | Q | 96.3 | Very high | 95 | Very high | 65 Ų | 65 | 70.4 Ų | 70.4 | 30% | 0.304 | 38% | 0.384 | S | S | . | . | trans | -75.3 | 118.9 | 169.7 | -171.7 | 65.8 | 20.7 | 0 | 0 | 109.7 | I166 A167 E168 M365 | I166-Q360 PolarHBondContact O-NE2 2.76Å; A167-Q360 PolarHBondContact O-NE2 3.06Å; E168-Q360 PolarHBondContact OE1-NE2 2.74Å; Q360-M365 VanDerWaalsContact O-CE 3.27Å; Q360-M365 WeakPolarHBondContact O-CE 3.38Å | ||
| 361 | V | 93 | Very high | 94.7 | Very high | 1 Ų | 1 | 69.8 Ų | 69.8 | 1% | 0.006 | 39% | 0.39 | C | S | . | . | trans | -61.4 | 135 | -179 | 177.8 | 0 | 0 | 0 | 0 | 110.4 | F119 A136 F359 L366 | F119-V361 HydrophobicContact CD2-CG2 4.08Å; F119-V361 HydrophobicContact CE1-CG2 4.1Å; F119-V361 HydrophobicContact CE2-CG2 3.42Å; F119-V361 VanDerWaalsContact CE2-CG2 3.42Å; F119-V361 HydrophobicContact CZ-CG2 3.42Å; F119-V361 VanDerWaalsContact CZ-CG2 3.42Å; A136-V361 HydrophobicContact CB-CG2 4.41Å; F359-V361 HydrophobicContact CE2-CG2 4.17Å; F359-V361 PolarHBondContact O-N 3.17Å; V361-L366 HydrophobicContact CG1-CD1 3.63Å; V361-L366 HydrophobicContact CG1-CD2 4.02Å; V361-L366 HydrophobicContact CG1-CG 4.09Å | ||
| 362 | K | 93.3 | Very high | 94.5 | Very high | 129 Ų | 129 | 65.7 Ų | 65.7 | 56% | 0.561 | 37% | 0.372 | S | S | * | . | trans | -130.9 | 147.6 | 175 | -60.2 | -178.6 | 179.9 | -178.6 | 0 | 109.4 | N364 M365 | K362-N364 WeakPolarHBondContact CB-OD1 3.31Å; K362-N364 PolarHBondContact O-N 2.87Å; K362-M365 HydrophobicContact CB-CE 3.79Å; K362-M365 HydrophobicContact CG-CE 4.03Å; K362-M365 PolarHBondContact O-N 2.81Å | ||
| 363 | S | 92.1 | Very high | 94.3 | Very high | 42 Ų | 42 | 67.6 Ų | 67.6 | 29% | 0.294 | 36% | 0.362 | S | S | . | . | G | 310 helix | trans | -58.1 | -25.7 | -175.3 | -41.8 | 0 | 0 | 0 | 0 | 114.5 | S116 R138 M365 | S116-S363 PolarHBondContact OG-OG 3.17Å; R138-S363 PolarHBondContact NH1-O 3.08Å; S363-M365 VanDerWaalsContact C-N 3.32Å |
| 364 | N | 93.1 | Very high | 94 | Very high | 136 Ų | 136 | 74.7 Ų | 74.7 | 73% | 0.727 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -81.3 | -8.3 | -179.5 | 66.3 | -21.6 | 0 | 0 | 0 | 114.1 | K362 | K362-N364 WeakPolarHBondContact CB-OD1 3.31Å; K362-N364 PolarHBondContact O-N 2.87Å |
| 365 | M | 93.7 | Very high | 93.6 | Very high | 65 Ų | 65 | 76.9 Ų | 76.9 | 32% | 0.32 | 39% | 0.393 | S | S | . | . | G | 310 helix | trans | -97.2 | -2.3 | 178.5 | -57.6 | -170.3 | -68.7 | 0 | 0 | 112.8 | P135 F359 Q360 K362 S363 | P135-M365 WeakPolarHBondContact CD-O 3.48Å; F359-M365 HydrophobicContact CD2-CE 3.47Å; F359-M365 VanDerWaalsContact CD2-CE 3.47Å; F359-M365 HydrophobicContact CD2-SD 4.28Å; F359-M365 HydrophobicContact CE2-CE 3.47Å; F359-M365 VanDerWaalsContact CE2-CE 3.47Å; F359-M365 HydrophobicContact CE2-SD 4.21Å; Q360-M365 VanDerWaalsContact O-CE 3.27Å; Q360-M365 WeakPolarHBondContact O-CE 3.38Å; K362-M365 HydrophobicContact CB-CE 3.79Å; K362-M365 HydrophobicContact CG-CE 4.03Å; K362-M365 PolarHBondContact O-N 2.81Å; S363-M365 VanDerWaalsContact C-N 3.32Å |
| 366 | L | 95.9 | Very high | 93.1 | Very high | 7 Ų | 7 | 81.1 Ų | 81.1 | 4% | 0.037 | 42% | 0.415 | C | S | . | . | S | Bend | trans | -115.1 | 169.6 | -170.7 | -56 | 178.6 | 0 | 0 | 0 | 111 | S116 Y134 A136 V361 | S116-L366 WeakPolarHBondContact O-CD1 3.31Å; Y134-L366 VanDerWaalsContact CE1-C 3.45Å; A136-L366 HydrophobicContact CB-CD2 3.79Å; V361-L366 HydrophobicContact CG1-CD1 3.63Å; V361-L366 HydrophobicContact CG1-CD2 4.02Å; V361-L366 HydrophobicContact CG1-CG 4.09Å |
| 367 | E | 95.7 | Very high | 92.7 | Very high | 81 Ų | 81 | 83.8 Ų | 83.8 | 38% | 0.379 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -51.3 | 134.9 | 172.6 | -164.9 | -176.6 | -165.5 | 0 | 0 | 111 | Y134 R138 N141 | Y134-E367 HydrophobicContact CD2-CB 3.58Å; Y134-E367 HydrophobicContact CD2-CG 4.12Å; Y134-E367 HydrophobicContact CE1-CB 4.48Å; Y134-E367 HydrophobicContact CE2-CB 3.51Å; Y134-E367 HydrophobicContact CE2-CG 3.61Å; Y134-E367 HydrophobicContact CG-CB 4.14Å; Y134-E367 VanDerWaalsContact CZ-CA 3.44Å; R138-E367 HydrophobicContact CB-CB 4.14Å; R138-E367 WeakPolarHBondContact CD-O 3.48Å; R138-E367 WeakPolarHBondContact CG-O 3.25Å; N141-E367 PolarHBondContact ND2-OE2 2.99Å |
| 368 | P | 95 | Very high | 92.4 | Very high | 90 Ų | 90 | 86.3 Ų | 86.3 | 58% | 0.584 | 43% | 0.431 | S | S | * | . | P | Polyproline II helix | trans | -56.5 | 139.4 | 169.2 | -24.5 | 34.1 | 0 | 0 | 0 | 111 | Y134 N141 | Y134-P368 WeakPolarHBondContact OH-CD 3.18Å; N141-P368 PolarHBondContact ND2-O 3.14Å |
| 369 | C | 95 | Very high | 92.2 | Very high | 36 Ų | 36 | 89.5 Ų | 89.5 | 24% | 0.243 | 44% | 0.441 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 140.3 | 173.7 | -62.5 | 0 | 0 | 0 | 0 | 110.9 | C140 N141 A181 | C140-C369 HydrophobicContact CB-CB 3.87Å; C140-C369 WeakPolarHBondContact CB-SG 3.36Å; C140-C369 WeakPolarHBondContact SG-CA 3.31Å; C140-C369 WeakPolarHBondContact SG-CB 3.44Å; C140-C369 CovalentContact SG-SG 2.02Å; C140-C369 PolarHBondContact SG-SG 3.11Å; N141-C369 WeakPolarHBondContact OD1-CA 3.29Å; A181-C369 HydrophobicContact CB-CB 4.13Å |
| 370 | I | 91.8 | Very high | 92 | Very high | 90 Ų | 90 | 89 Ų | 89 | 46% | 0.462 | 46% | 0.457 | S | S | . | . | P | Polyproline II helix | trans | -54.8 | 129.7 | 172.2 | -61.2 | 162.1 | 0 | 0 | 0 | 108.6 | N141 R190 | N141-I370 PolarHBondContact OD1-N 3.31Å; R190-I370 PolarHBondContact NE-O 3.37Å |
| 371 | P | 90 | Very high | 91.9 | Very high | 97 Ų | 97 | 89.7 Ų | 89.7 | 63% | 0.63 | 46% | 0.462 | S | S | * | . | P | Polyproline II helix | trans | -53.8 | 154.8 | -175.3 | -28.4 | 34.8 | 0 | 0 | 0 | 114.3 | M373 | P371-M373 PolarHBondContact O-N 3.32Š|
| 372 | F | 90.5 | Very high | 92 | Very high | 124 Ų | 124 | 93.2 Ų | 93.2 | 54% | 0.544 | 48% | 0.479 | S | S | . | . | P | Polyproline II helix | trans | -59.9 | 126.7 | 170.3 | 176.1 | -88.8 | 0 | 0 | 0 | 110.3 | F188 R190 | F188-F372 HydrophobicContact CB-CE2 3.68Å; F188-F372 HydrophobicContact CB-CZ 3.86Å; F188-F372 AromaticContact CD1-CE1 3.68Å; F188-F372 HydrophobicContact CD1-CE1 3.68Å; F188-F372 AromaticContact CD1-CE2 3.8Å; F188-F372 HydrophobicContact CD1-CE2 3.8Å; F188-F372 AromaticContact CD1-CZ 3.03Å; F188-F372 HydrophobicContact CD1-CZ 3.03Å; F188-F372 HydrophobicContact CD2-CZ 4.47Å; F188-F372 HydrophobicContact CE1-CE1 4.05Å; F188-F372 AromaticContact CE1-CZ 3.55Å; F188-F372 HydrophobicContact CE1-CZ 3.55Å; F188-F372 AromaticContact CG-CE2 3.86Å; F188-F372 HydrophobicContact CG-CE2 3.86Å; F188-F372 AromaticContact CG-CZ 3.55Å; F188-F372 HydrophobicContact CG-CZ 3.55Å; F188-F372 HydrophobicContact CZ-CZ 4.45Å; R190-F372 HydrophobicContact CB-CD2 4.02Å |
| 373 | M | 90.9 | Very high | 92.1 | Very high | 116 Ų | 116 | 91.3 Ų | 91.3 | 57% | 0.571 | 48% | 0.478 | S | S | * | . | trans | -124.6 | 144.9 | 178 | -62.8 | 177.3 | 68.6 | 0 | 0 | 109.4 | F188 S189 P371 | F188-M373 WeakPolarHBondContact CA-O 3.42Å; S189-M373 PolarHBondContact N-O 2.86Å; S189-M373 PolarHBondContact OG-N 3.28Å; S189-M373 PolarHBondContact OG-O 2.91Å; P371-M373 PolarHBondContact O-N 3.32Å | ||
| 374 | R | 91.1 | Very high | 92.2 | Very high | 193 Ų | 193 | 92.1 Ų | 92.1 | 73% | 0.728 | 48% | 0.483 | S | S | * | . | B | Isolated β-bridge | trans | -94.9 | 128.8 | 170 | -172.7 | -179.1 | 178 | -179.1 | -2.3 | 108.8 | H187 F188 | H187-R374 CarbonylContact O-C 3.43Å; H187-R374 VanDerWaalsContact O-CA 3.29Å; H187-R374 WeakPolarHBondContact O-CA 3.5Å; H187-R374 VanDerWaalsContact O-CG 3.31Å; H187-R374 WeakPolarHBondContact O-CG 3.39Å; F188-R374 HydrophobicContact CD1-CB 4.3Å; F188-R374 HydrophobicContact CD1-CG 4.17Å; F188-R374 HydrophobicContact CE1-CB 4.43Å; F188-R374 HydrophobicContact CE1-CG 4.04Å |
| 375 | H | 86.5 | Confident | 92.3 | Very high | 81 Ų | 81 | 91 Ų | 91 | 38% | 0.375 | 47% | 0.472 | S | S | . | . | trans | -80.7 | 120.4 | 170 | -64.7 | -68.3 | 0 | 0 | 0 | 109.1 | M186 H187 | M186-H375 PolarHBondContact O-CD2 3.35Å; H187-H375 PolarHBondContact O-N 3.41Å | ||
| 376 | D | 87.7 | Confident | 92.5 | Very high | 93 Ų | 93 | 92.6 Ų | 92.6 | 50% | 0.497 | 48% | 0.481 | S | S | . | . | trans | -104.6 | 104.6 | 168.6 | -174.3 | -12.9 | 0 | 0 | 0 | 108.5 | F378 M379 | D376-F378 PolarHBondContact O-N 3.4Å; D376-F378 PolarHBondContact OD1-N 3.26Å; D376-M379 HydrophobicContact CB-CB 3.95Å; D376-M379 WeakPolarHBondContact O-CB 3.47Å; D376-M379 PolarHBondContact O-N 3.27Å; D376-M379 PolarHBondContact OD1-N 2.9Å | ||
| 377 | H | 87.4 | Confident | 92.4 | Very high | 134 Ų | 134 | 99.4 Ų | 99.4 | 62% | 0.62 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -17 | -179 | -59.9 | -66.8 | 0 | 0 | 0 | 113 | H187 | H187-H377 AromaticContact ND1-NE2 3.85Š|
| 378 | F | 91.5 | Very high | 92.4 | Very high | 90 Ų | 90 | 98.7 Ų | 98.7 | 40% | 0.395 | 51% | 0.511 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105 | -2.8 | -176.9 | -156.9 | -116.4 | 0 | 0 | 0 | 113.2 | D376 G380 N381 E382 F385 | D376-F378 PolarHBondContact O-N 3.4Å; D376-F378 PolarHBondContact OD1-N 3.26Å; F378-G380 PolarHBondContact O-N 3.47Å; F378-N381 HydrophobicContact CD2-CB 4.04Å; F378-N381 HydrophobicContact CE2-CB 3.99Å; F378-N381 HydrophobicContact CG-CB 4.47Å; F378-N381 HydrophobicContact CZ-CB 4.38Å; F378-N381 WeakPolarHBondContact O-CB 3.36Å; F378-N381 PolarHBondContact O-N 2.84Å; F378-E382 HydrophobicContact CD1-CG 3.94Å; F378-E382 HydrophobicContact CE1-CB 4.34Å; F378-E382 HydrophobicContact CE1-CG 4.18Å; F378-F385 HydrophobicContact CE1-CB 4.29Å; F378-F385 HydrophobicContact CE1-CD1 4.48Å; F378-F385 HydrophobicContact CE1-CG 4.47Å; F378-F385 HydrophobicContact CE2-CB 4.25Å; F378-F385 HydrophobicContact CE2-CD2 4.31Å; F378-F385 HydrophobicContact CE2-CG 4.25Å; F378-F385 HydrophobicContact CZ-CB 3.46Å; F378-F385 VanDerWaalsContact CZ-CB 3.46Å; F378-F385 AromaticContact CZ-CD1 3.83Å; F378-F385 HydrophobicContact CZ-CD1 3.83Å; F378-F385 AromaticContact CZ-CD2 3.99Å; F378-F385 HydrophobicContact CZ-CD2 3.99Å; F378-F385 AromaticContact CZ-CG 3.51Å; F378-F385 HydrophobicContact CZ-CG 3.51Å |
| 379 | M | 90.1 | Very high | 92.5 | Very high | 139 Ų | 139 | 97.2 Ų | 97.2 | 69% | 0.685 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | 125.4 | 178.9 | -173.5 | 177.5 | 68.5 | 0 | 0 | 111.9 | D376 N381 E382 | D376-M379 HydrophobicContact CB-CB 3.95Å; D376-M379 WeakPolarHBondContact O-CB 3.47Å; D376-M379 PolarHBondContact O-N 3.27Å; D376-M379 PolarHBondContact OD1-N 2.9Å; M379-N381 VanDerWaalsContact C-N 3.27Å; M379-N381 PolarHBondContact O-N 3.31Å; M379-E382 WeakPolarHBondContact CA-OE1 3.44Å |
| 380 | G | 92.1 | Very high | 92.4 | Very high | 61 Ų | 61 | 99.9 Ų | 99.9 | 63% | 0.629 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.1 | -5.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | F378 E382 | F378-G380 PolarHBondContact O-N 3.47Å; G380-E382 VanDerWaalsContact C-OE2 3.31Å; G380-E382 WeakPolarHBondContact CA-OE2 3.46Å; G380-E382 PolarHBondContact N-OE1 2.96Å; G380-E382 PolarHBondContact N-OE2 3.28Å |
| 381 | N | 93.8 | Very high | 92.5 | Very high | 79 Ų | 79 | 99.2 Ų | 99.2 | 42% | 0.422 | 52% | 0.517 | S | S | . | . | trans | -102.2 | -1.7 | 175.9 | -66.3 | -63.4 | 0 | 0 | 0 | 113.2 | F378 M379 V383 S384 F385 | F378-N381 HydrophobicContact CD2-CB 4.04Å; F378-N381 HydrophobicContact CE2-CB 3.99Å; F378-N381 HydrophobicContact CG-CB 4.47Å; F378-N381 HydrophobicContact CZ-CB 4.38Å; F378-N381 WeakPolarHBondContact O-CB 3.36Å; F378-N381 PolarHBondContact O-N 2.84Å; M379-N381 VanDerWaalsContact C-N 3.27Å; M379-N381 PolarHBondContact O-N 3.31Å; N381-V383 PolarHBondContact O-N 3.39Å; N381-S384 WeakPolarHBondContact CA-OG 3.2Å; N381-S384 PolarHBondContact O-OG 3.18Å; N381-S384 VanDerWaalsContact O-OG 3.05Å; N381-F385 WeakPolarHBondContact O-CB 3.37Å; N381-F385 PolarHBondContact O-N 2.91Å | ||
| 382 | E | 95.4 | Very high | 92.6 | Very high | 74 Ų | 74 | 100.7 Ų | 100.7 | 35% | 0.346 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.3 | -49.7 | -174.5 | -51 | 85.8 | 163.3 | 0 | 0 | 110.8 | F378 M379 G380 I386 | F378-E382 HydrophobicContact CD1-CG 3.94Å; F378-E382 HydrophobicContact CE1-CB 4.34Å; F378-E382 HydrophobicContact CE1-CG 4.18Å; M379-E382 WeakPolarHBondContact CA-OE1 3.44Å; G380-E382 VanDerWaalsContact C-OE2 3.31Å; G380-E382 WeakPolarHBondContact CA-OE2 3.46Å; G380-E382 PolarHBondContact N-OE1 2.96Å; G380-E382 PolarHBondContact N-OE2 3.28Å; E382-I386 WeakPolarHBondContact O-CB 3.46Å; E382-I386 WeakPolarHBondContact O-CD1 3.29Å; E382-I386 WeakPolarHBondContact O-CG1 3.48Å; E382-I386 PolarHBondContact O-N 3.22Å |
| 383 | V | 94.1 | Very high | 92.7 | Very high | 89 Ų | 89 | 97.1 Ų | 97.1 | 54% | 0.539 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68.9 | -46 | -177.3 | 177.4 | 0 | 0 | 0 | 0 | 111.2 | N381 F385 I386 Y387 | N381-V383 PolarHBondContact O-N 3.39Å; V383-F385 VanDerWaalsContact C-N 3.31Å; V383-F385 PolarHBondContact O-N 3Å; V383-I386 PolarHBondContact O-N 2.74Å; V383-Y387 HydrophobicContact CG1-CD2 3.61Å; V383-Y387 HydrophobicContact CG1-CE2 3.38Å; V383-Y387 WeakPolarHBondContact O-CD2 3.49Å; V383-Y387 PolarHBondContact O-N 3.26Å |
| 384 | S | 94.5 | Very high | 92.6 | Very high | 59 Ų | 59 | 94.4 Ų | 94.4 | 41% | 0.413 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.9 | -37.9 | 178.9 | 57.8 | 0 | 0 | 0 | 0 | 111.8 | N381 S388 | N381-S384 WeakPolarHBondContact CA-OG 3.2Å; N381-S384 PolarHBondContact O-OG 3.18Å; N381-S384 VanDerWaalsContact O-OG 3.05Å; S384-S388 WeakPolarHBondContact O-CB 3.1Å; S384-S388 PolarHBondContact O-N 2.91Å; S384-S388 PolarHBondContact O-OG 2.92Å |
| 385 | F | 96.2 | Very high | 92.5 | Very high | 114 Ų | 114 | 89.2 Ų | 89.2 | 50% | 0.5 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.1 | -43.3 | 174.7 | -176.3 | -100 | 0 | 0 | 0 | 112.4 | F378 N381 V383 Y387 S388 C389 | F378-F385 HydrophobicContact CE1-CB 4.29Å; F378-F385 HydrophobicContact CE1-CD1 4.48Å; F378-F385 HydrophobicContact CE1-CG 4.47Å; F378-F385 HydrophobicContact CE2-CB 4.25Å; F378-F385 HydrophobicContact CE2-CD2 4.31Å; F378-F385 HydrophobicContact CE2-CG 4.25Å; F378-F385 HydrophobicContact CZ-CB 3.46Å; F378-F385 VanDerWaalsContact CZ-CB 3.46Å; F378-F385 AromaticContact CZ-CD1 3.83Å; F378-F385 HydrophobicContact CZ-CD1 3.83Å; F378-F385 AromaticContact CZ-CD2 3.99Å; F378-F385 HydrophobicContact CZ-CD2 3.99Å; F378-F385 AromaticContact CZ-CG 3.51Å; F378-F385 HydrophobicContact CZ-CG 3.51Å; N381-F385 WeakPolarHBondContact O-CB 3.37Å; N381-F385 PolarHBondContact O-N 2.91Å; V383-F385 VanDerWaalsContact C-N 3.31Å; V383-F385 PolarHBondContact O-N 3Å; F385-Y387 PolarHBondContact O-N 3.48Å; F385-S388 WeakPolarHBondContact O-CB 3.39Å; F385-S388 PolarHBondContact O-N 3.44Å; F385-C389 PolarHBondContact O-N 3.43Å; F385-C389 PolarHBondContact O-SG 3.33Å |
| 386 | I | 96.4 | Very high | 92.4 | Very high | 98 Ų | 98 | 89.3 Ų | 89.3 | 50% | 0.503 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.4 | -49.2 | 174.7 | -71.8 | 163.4 | 0 | 0 | 0 | 110.3 | E382 V383 S388 C389 I390 | E382-I386 WeakPolarHBondContact O-CB 3.46Å; E382-I386 WeakPolarHBondContact O-CD1 3.29Å; E382-I386 WeakPolarHBondContact O-CG1 3.48Å; E382-I386 PolarHBondContact O-N 3.22Å; V383-I386 PolarHBondContact O-N 2.74Å; I386-S388 VanDerWaalsContact C-N 3.34Å; I386-S388 PolarHBondContact O-N 3.29Å; I386-C389 WeakPolarHBondContact O-CB 3.18Å; I386-C389 PolarHBondContact O-N 3.05Å; I386-I390 HydrophobicContact CG2-CD1 3.82Å; I386-I390 HydrophobicContact CG2-CG1 4.44Å; I386-I390 WeakPolarHBondContact O-CG1 3.49Å; I386-I390 PolarHBondContact O-N 3.3Å |
| 387 | Y | 95.3 | Very high | 92.2 | Very high | 150 Ų | 150 | 88.5 Ų | 88.5 | 59% | 0.588 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.2 | -41 | 177.5 | -78.6 | -62.3 | 0 | 0 | 0 | 112.2 | V383 F385 C389 I390 S391 | V383-Y387 HydrophobicContact CG1-CD2 3.61Å; V383-Y387 HydrophobicContact CG1-CE2 3.38Å; V383-Y387 WeakPolarHBondContact O-CD2 3.49Å; V383-Y387 PolarHBondContact O-N 3.26Å; F385-Y387 PolarHBondContact O-N 3.48Å; Y387-C389 VanDerWaalsContact C-N 3.29Å; Y387-C389 PolarHBondContact O-N 3.48Å; Y387-I390 PolarHBondContact O-N 3.45Å; Y387-S391 WeakPolarHBondContact O-CB 3.31Å; Y387-S391 PolarHBondContact O-N 3.29Å; Y387-S391 PolarHBondContact O-OG 2.92Å; Y387-S391 VanDerWaalsContact O-OG 3.06Å |
| 388 | S | 95.5 | Very high | 91.6 | Very high | 65 Ų | 65 | 83.9 Ų | 83.9 | 46% | 0.455 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -58.7 | -42.7 | 174.9 | -59 | 0 | 0 | 0 | 0 | 111.4 | S384 F385 I386 S391 L392 | S384-S388 WeakPolarHBondContact O-CB 3.1Å; S384-S388 PolarHBondContact O-N 2.91Å; S384-S388 PolarHBondContact O-OG 2.92Å; F385-S388 WeakPolarHBondContact O-CB 3.39Å; F385-S388 PolarHBondContact O-N 3.44Å; I386-S388 VanDerWaalsContact C-N 3.34Å; I386-S388 PolarHBondContact O-N 3.29Å; S388-S391 PolarHBondContact O-N 2.98Å; S388-L392 WeakPolarHBondContact O-CB 3.44Å; S388-L392 VanDerWaalsContact O-CG 3.29Å; S388-L392 WeakPolarHBondContact O-CG 3.47Å; S388-L392 PolarHBondContact O-N 3.5Å |
| 389 | C | 95.7 | Very high | 90.5 | Very high | 59 Ų | 59 | 87.1 Ų | 87.1 | 40% | 0.399 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.3 | -42.7 | 175.7 | -66.8 | 0 | 0 | 0 | 0 | 112.5 | F385 I386 Y387 L392 G393 | F385-C389 PolarHBondContact O-N 3.43Å; F385-C389 PolarHBondContact O-SG 3.33Å; I386-C389 WeakPolarHBondContact O-CB 3.18Å; I386-C389 PolarHBondContact O-N 3.05Å; Y387-C389 VanDerWaalsContact C-N 3.29Å; Y387-C389 PolarHBondContact O-N 3.48Å; C389-L392 PolarHBondContact O-N 3.29Å; C389-G393 PolarHBondContact O-N 2.84Å |
| 390 | I | 94.6 | Very high | 89.3 | Confident | 92 Ų | 92 | 88.1 Ų | 88.1 | 47% | 0.472 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.6 | -44 | 176.7 | -68.5 | 169.2 | 0 | 0 | 0 | 110.8 | I386 Y387 G393 S394 | I386-I390 HydrophobicContact CG2-CD1 3.82Å; I386-I390 HydrophobicContact CG2-CG1 4.44Å; I386-I390 WeakPolarHBondContact O-CG1 3.49Å; I386-I390 PolarHBondContact O-N 3.3Å; Y387-I390 PolarHBondContact O-N 3.45Å; I390-G393 PolarHBondContact O-N 3.44Å; I390-S394 WeakPolarHBondContact O-CB 3.43Å; I390-S394 PolarHBondContact O-N 2.84Å; I390-S394 PolarHBondContact O-OG 3.33Å |
| 391 | S | 92.4 | Very high | 87.8 | Confident | 77 Ų | 77 | 93.4 Ų | 93.4 | 54% | 0.538 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.8 | -45.7 | 177.6 | -63.8 | 0 | 0 | 0 | 0 | 111.3 | Y387 S388 S394 V395 | Y387-S391 WeakPolarHBondContact O-CB 3.31Å; Y387-S391 PolarHBondContact O-N 3.29Å; Y387-S391 PolarHBondContact O-OG 2.92Å; Y387-S391 VanDerWaalsContact O-OG 3.06Å; S388-S391 PolarHBondContact O-N 2.98Å; S391-S394 PolarHBondContact O-N 2.72Å; S391-V395 PolarHBondContact O-N 2.91Å |
| 392 | L | 93.1 | Very high | 85.9 | Confident | 127 Ų | 127 | 102.6 Ų | 102.6 | 67% | 0.665 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -62.9 | -42.3 | 174.3 | -71.7 | 171.2 | 0 | 0 | 0 | 112 | S388 C389 S394 V395 | S388-L392 WeakPolarHBondContact O-CB 3.44Å; S388-L392 VanDerWaalsContact O-CG 3.29Å; S388-L392 WeakPolarHBondContact O-CG 3.47Å; S388-L392 PolarHBondContact O-N 3.5Å; C389-L392 PolarHBondContact O-N 3.29Å; L392-S394 PolarHBondContact O-N 3.22Å; L392-V395 WeakPolarHBondContact O-CB 3.38Å; L392-V395 WeakPolarHBondContact O-CG2 3.18Å; L392-V395 PolarHBondContact O-N 3.06Å |
| 393 | G | 92.4 | Very high | 85.4 | Confident | 50 Ų | 50 | 104 Ų | 104 | 52% | 0.515 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -67 | -21.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | C389 I390 P396 | C389-G393 PolarHBondContact O-N 2.84Å; I390-G393 PolarHBondContact O-N 3.44Å; G393-P396 VanDerWaalsContact O-CD 3.31Å; G393-P396 WeakPolarHBondContact O-CD 3.27Å |
| 394 | S | 89.6 | Confident | 85 | Confident | 59 Ų | 59 | 104.8 Ų | 104.8 | 41% | 0.413 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -88.1 | -11.5 | 179 | -58.2 | 0 | 0 | 0 | 0 | 113 | I390 S391 L392 V397 G398 | I390-S394 WeakPolarHBondContact O-CB 3.43Å; I390-S394 PolarHBondContact O-N 2.84Å; I390-S394 PolarHBondContact O-OG 3.33Å; S391-S394 PolarHBondContact O-N 2.72Å; L392-S394 PolarHBondContact O-N 3.22Å; S394-V397 PolarHBondContact O-N 3.04Å; S394-V397 VanDerWaalsContact O-N 3.15Å; S394-G398 PolarHBondContact O-N 3.4Å |
| 395 | V | 87.9 | Confident | 84.4 | Confident | 84 Ų | 84 | 107.3 Ų | 107.3 | 51% | 0.509 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -56.2 | -44.9 | 176.9 | 175.1 | 0 | 0 | 0 | 0 | 112.9 | S391 L392 V397 K399 | S391-V395 PolarHBondContact O-N 2.91Å; L392-V395 WeakPolarHBondContact O-CB 3.38Å; L392-V395 WeakPolarHBondContact O-CG2 3.18Å; L392-V395 PolarHBondContact O-N 3.06Å; V395-V397 VanDerWaalsContact C-N 3.34Å; V395-K399 PolarHBondContact O-N 2.96Å |
| 396 | P | 85.4 | Confident | 83.7 | Confident | 83 Ų | 83 | 106.9 Ų | 106.9 | 54% | 0.539 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -66.8 | -34.7 | 176.1 | -18.6 | 33 | 0 | 0 | 0 | 112.9 | G393 K399 | G393-P396 VanDerWaalsContact O-CD 3.31Å; G393-P396 WeakPolarHBondContact O-CD 3.27Å; P396-K399 PolarHBondContact O-N 3.3Å |
| 397 | V | 82.1 | Confident | 82.9 | Confident | 75 Ų | 75 | 107.5 Ų | 107.5 | 46% | 0.455 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -67.8 | -43.1 | 178.9 | -177.6 | 0 | 0 | 0 | 0 | 110.3 | S394 V395 K399 Q400 F401 | S394-V397 PolarHBondContact O-N 3.04Å; S394-V397 VanDerWaalsContact O-N 3.15Å; V395-V397 VanDerWaalsContact C-N 3.34Å; V397-K399 VanDerWaalsContact C-N 3.25Å; V397-K399 PolarHBondContact O-N 3.36Å; V397-Q400 WeakPolarHBondContact O-CB 3.49Å; V397-Q400 PolarHBondContact O-N 2.93Å; V397-F401 HydrophobicContact CG1-CE2 4.06Å; V397-F401 VanDerWaalsContact O-CD2 3.27Å; V397-F401 WeakPolarHBondContact O-CD2 3.33Å |
| 398 | G | 74.9 | Confident | 82.1 | Confident | 37 Ų | 37 | 104.7 Ų | 104.7 | 38% | 0.381 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -61.5 | -31.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | S394 Q400 F401 | S394-G398 PolarHBondContact O-N 3.4Å; G398-Q400 VanDerWaalsContact C-N 3.27Å; G398-Q400 PolarHBondContact O-N 3.15Å; G398-F401 PolarHBondContact O-N 3.27Å |
| 399 | K | 69.5 | Low | 81.2 | Confident | 159 Ų | 159 | 107.5 Ų | 107.5 | 69% | 0.691 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71 | -15.9 | 174.3 | -79.6 | -170.9 | 175.7 | -176 | 0 | 114.3 | V395 P396 V397 F401 | V395-K399 PolarHBondContact O-N 2.96Å; P396-K399 PolarHBondContact O-N 3.3Å; V397-K399 VanDerWaalsContact C-N 3.25Å; V397-K399 PolarHBondContact O-N 3.36Å; K399-F401 VanDerWaalsContact C-N 3.3Å |
| 400 | Q | 64 | Low | 80 | Confident | 160 Ų | 160 | 111.2 Ų | 111.2 | 75% | 0.748 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | -8.4 | 173.1 | -88.7 | 178.4 | -29.8 | 0 | 0 | 113.3 | V397 G398 | V397-Q400 WeakPolarHBondContact O-CB 3.49Å; V397-Q400 PolarHBondContact O-N 2.93Å; G398-Q400 VanDerWaalsContact C-N 3.27Å; G398-Q400 PolarHBondContact O-N 3.15Å |
| 401 | F | 61.4 | Low | 78.8 | Confident | 172 Ų | 172 | 112.8 Ų | 112.8 | 75% | 0.754 | 61% | 0.606 | S | S | * | * | trans | -109.1 | 6.9 | -179.4 | -69 | -79.5 | 0 | 0 | 0 | 114 | V397 G398 K399 | V397-F401 HydrophobicContact CG1-CE2 4.06Å; V397-F401 VanDerWaalsContact O-CD2 3.27Å; V397-F401 WeakPolarHBondContact O-CD2 3.33Å; G398-F401 PolarHBondContact O-N 3.27Å; K399-F401 VanDerWaalsContact C-N 3.3Å | ||
| 402 | Y | 53.4 | Low | 77.6 | Confident | 271 Ų | 271 | 116.1 Ų | 116.1 | 100% | 1.063 | 61% | 0.612 | S | S | * | * | trans | -116.2 | 0 | 165.4 | -77.1 | -83.1 | 0 | 0 | 0 | 108.8 |
Retrieved 402 of 402 residues in 166.5 ms
(Link to these results)