| 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 | 39 | Very low | 41.2 | Very low | 241 Ų | 241 | 146.9 Ų | 146.9 | 100% | 1.187 | 77% | 0.771 | S | S | * | * | 0 | 99.2 | 0 | -69.2 | 175.6 | -159.5 | 0 | 0 | 106.9 | |||||
| 2 | E | 34.6 | Very low | 42.9 | Very low | 193 Ų | 193 | 140.3 Ų | 140.3 | 90% | 0.902 | 74% | 0.741 | S | S | * | * | trans | -159.9 | 105.6 | 145.8 | -112.9 | 172.4 | -165.4 | 0 | 0 | 105.3 | ||||
| 3 | N | 36.6 | Very low | 44.5 | Very low | 145 Ų | 145 | 130.9 Ų | 130.9 | 78% | 0.775 | 69% | 0.693 | S | S | * | * | trans | -100.9 | 85 | -165.1 | -159 | 24.8 | 0 | 0 | 0 | 105.8 | T5 | N3-T5 VanDerWaalsContact C-N 3.34Å; N3-T5 PolarHBondContact O-N 3.28Å | ||
| 4 | T | 36.8 | Very low | 45.8 | Very low | 112 Ų | 112 | 123.7 Ų | 123.7 | 69% | 0.687 | 65% | 0.654 | S | S | * | * | trans | -83.1 | 89.2 | 168.7 | 50.3 | 0 | 0 | 0 | 0 | 108 | W6 | T4-W6 PolarHBondContact O-N 3.41Å; T4-W6 VanDerWaalsContact O-N 3.16Å | ||
| 5 | T | 35.5 | Very low | 46.8 | Very low | 113 Ų | 113 | 117.7 Ų | 117.7 | 69% | 0.693 | 62% | 0.619 | S | S | * | * | trans | -60.5 | 106.7 | 165.8 | 45 | 0 | 0 | 0 | 0 | 109.2 | N3 P7 | N3-T5 VanDerWaalsContact C-N 3.34Å; N3-T5 PolarHBondContact O-N 3.28Å; T5-P7 VanDerWaalsContact O-CD 3.32Å; T5-P7 WeakPolarHBondContact O-CD 3.47Å | ||
| 6 | W | 33.3 | Very low | 47.6 | Very low | 232 Ų | 232 | 117.4 Ų | 117.4 | 88% | 0.879 | 62% | 0.617 | S | S | * | * | trans | -74 | 114.3 | 166.9 | -68.1 | 97.8 | 0 | 0 | 0 | 109.1 | T4 | T4-W6 PolarHBondContact O-N 3.41Å; T4-W6 VanDerWaalsContact O-N 3.16Å | ||
| 7 | P | 41.1 | Very low | 48.4 | Very low | 98 Ų | 98 | 116.4 Ų | 116.4 | 64% | 0.636 | 61% | 0.612 | S | S | * | * | trans | -85.6 | 138.4 | 170.6 | 33.3 | -24.5 | 0 | 0 | 0 | 108.6 | T5 | T5-P7 VanDerWaalsContact O-CD 3.32Å; T5-P7 WeakPolarHBondContact O-CD 3.47Å | ||
| 8 | Y | 39.7 | Very low | 49.1 | Very low | 215 Ų | 215 | 116.8 Ų | 116.8 | 84% | 0.843 | 60% | 0.604 | S | S | * | * | S | Bend | trans | 80.6 | 117.5 | 179.6 | -51.8 | -79.1 | 0 | 0 | 0 | 115.5 | A10 | Y8-A10 PolarHBondContact O-N 3.32Š|
| 9 | A | 45.2 | Very low | 50.5 | Low | 104 Ų | 104 | 114.6 Ų | 114.6 | 86% | 0.86 | 61% | 0.613 | S | S | * | * | trans | -51.7 | 111.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | Y11 | A9-Y11 PolarHBondContact O-N 3.43Š| ||
| 10 | A | 52.7 | Low | 52.2 | Low | 88 Ų | 88 | 111.7 Ų | 111.7 | 73% | 0.727 | 60% | 0.597 | S | S | * | * | trans | -59 | 114.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | Y8 V12 | Y8-A10 PolarHBondContact O-N 3.32Å; A10-V12 PolarHBondContact O-N 3.44Å; A10-V12 VanDerWaalsContact O-N 3.1Å | ||
| 11 | Y | 58.7 | Low | 53.8 | Low | 75 Ų | 75 | 107.9 Ų | 107.9 | 29% | 0.294 | 58% | 0.578 | S | S | . | * | trans | -52.1 | 119.3 | 170.4 | 164.5 | -91.2 | 0 | 0 | 0 | 108.6 | A9 P13 W186 A190 | A9-Y11 PolarHBondContact O-N 3.43Å; Y11-P13 HydrophobicContact CD1-CG 4.19Å; Y11-P13 HydrophobicContact CE1-CB 3.89Å; Y11-P13 HydrophobicContact CE1-CG 3.64Å; Y11-P13 WeakPolarHBondContact O-CD 3.45Å; Y11-W186 HydrophobicContact CE2-CB 4.27Å; Y11-W186 WeakPolarHBondContact OH-CB 3.48Å; Y11-A190 HydrophobicContact CD1-CB 3.1Å; Y11-A190 HydrophobicContact CD2-CB 3.58Å; Y11-A190 HydrophobicContact CE1-CB 3.42Å; Y11-A190 VanDerWaalsContact CE1-CB 3.42Å; Y11-A190 HydrophobicContact CE2-CB 3.89Å; Y11-A190 HydrophobicContact CG-CB 3.17Å | ||
| 12 | V | 61.7 | Low | 56.2 | Low | 68 Ų | 68 | 97.5 Ų | 97.5 | 41% | 0.412 | 53% | 0.527 | S | S | . | . | trans | -100.4 | 114.2 | 171.2 | -173 | 0 | 0 | 0 | 0 | 106.5 | A10 L16 L17 | A10-V12 PolarHBondContact O-N 3.44Å; A10-V12 VanDerWaalsContact O-N 3.1Å; V12-L16 HydrophobicContact CG1-CB 3.85Å; V12-L17 HydrophobicContact CB-CD1 4.45Å; V12-L17 HydrophobicContact CB-CD2 3.74Å; V12-L17 HydrophobicContact CB-CG 3.85Å; V12-L17 HydrophobicContact CG1-CD2 3.76Å; V12-L17 HydrophobicContact CG1-CG 3.72Å; V12-L17 HydrophobicContact CG2-CD2 4.47Å; V12-L17 WeakPolarHBondContact O-CD1 3.15Å | ||
| 13 | P | 64.2 | Low | 58.9 | Low | 18 Ų | 18 | 90.1 Ų | 90.1 | 12% | 0.117 | 50% | 0.499 | C | S | . | . | trans | -52.6 | 146 | 178.5 | -18.9 | 18.7 | 0 | 0 | 0 | 113.1 | Y11 Y15 L16 L17 | Y11-P13 HydrophobicContact CD1-CG 4.19Å; Y11-P13 HydrophobicContact CE1-CB 3.89Å; Y11-P13 HydrophobicContact CE1-CG 3.64Å; Y11-P13 WeakPolarHBondContact O-CD 3.45Å; P13-Y15 HydrophobicContact CB-CD1 3.84Å; P13-Y15 HydrophobicContact CB-CD2 4Å; P13-Y15 HydrophobicContact CB-CE1 3.36Å; P13-Y15 HydrophobicContact CB-CE2 3.53Å; P13-Y15 HydrophobicContact CB-CG 4.14Å; P13-Y15 HydrophobicContact CG-CE1 4.32Å; P13-Y15 HydrophobicContact CG-CE2 3.93Å; P13-Y15 PolarHBondContact O-N 2.81Å; P13-Y15 VanDerWaalsContact O-N 3.09Å; P13-L16 HydrophobicContact CB-CD1 4.49Å; P13-L16 HydrophobicContact CB-CG 4.4Å; P13-L16 HydrophobicContact CG-CD1 3.87Å; P13-L16 HydrophobicContact CG-CG 4.31Å; P13-L16 WeakPolarHBondContact O-CA 3.48Å; P13-L16 WeakPolarHBondContact O-CB 3.25Å; P13-L16 PolarHBondContact O-N 3.5Å; P13-L17 PolarHBondContact O-N 3.23Å | ||
| 14 | H | 61.9 | Low | 61.6 | Low | 30 Ų | 30 | 83.9 Ų | 83.9 | 14% | 0.139 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -57.7 | -29 | -177.7 | -98.6 | -56.2 | 0 | 0 | 0 | 114.6 | L16 W186 D279 | H14-L16 VanDerWaalsContact C-N 3.31Å; H14-W186 AromaticContact CD2-CD1 3.71Å; H14-W186 AromaticContact CD2-NE1 3.59Å; H14-D279 IonicContact CE1-OD1 2.56Å; H14-D279 PolarHBondContact CE1-OD1 3.05Å; H14-D279 IonicContact CE1-OD2 2.93Å; H14-D279 PolarHBondContact CE1-OD2 3.31Å; H14-D279 VanDerWaalsContact CE1-OD2 3.27Å; H14-D279 IonicContact ND1-OD1 3.92Å; H14-D279 PolarHBondContact NE2-N 3.4Å; H14-D279 IonicContact NE2-OD1 3.27Å |
| 15 | Y | 60.7 | Low | 64.1 | Low | 34 Ų | 34 | 82.4 Ų | 82.4 | 13% | 0.133 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -75.7 | -18.6 | 175.2 | 51.8 | -97.8 | 0 | 0 | 0 | 112.7 | P13 P21 W101 A173 D184 | P13-Y15 HydrophobicContact CB-CD1 3.84Å; P13-Y15 HydrophobicContact CB-CD2 4Å; P13-Y15 HydrophobicContact CB-CE1 3.36Å; P13-Y15 HydrophobicContact CB-CE2 3.53Å; P13-Y15 HydrophobicContact CB-CG 4.14Å; P13-Y15 HydrophobicContact CG-CE1 4.32Å; P13-Y15 HydrophobicContact CG-CE2 3.93Å; P13-Y15 PolarHBondContact O-N 2.81Å; P13-Y15 VanDerWaalsContact O-N 3.09Å; Y15-P21 WeakPolarHBondContact O-CB 3.3Å; Y15-W101 HydrophobicContact CD2-CH2 4.34Å; Y15-W101 HydrophobicContact CE2-CH2 4.04Å; Y15-A173 HydrophobicContact CD1-CB 3.98Å; Y15-A173 HydrophobicContact CE1-CB 3.51Å; Y15-D184 WeakPolarHBondContact CE1-OD2 3.31Å; Y15-D184 PolarHBondContact OH-OD2 3.45Å |
| 16 | L | 60.4 | Low | 66.8 | Low | 112 Ų | 112 | 78.3 Ų | 78.3 | 59% | 0.586 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -94.7 | -22 | 172.6 | -63.9 | -178 | 0 | 0 | 0 | 113.2 | V12 P13 H14 R18 | V12-L16 HydrophobicContact CG1-CB 3.85Å; P13-L16 HydrophobicContact CB-CD1 4.49Å; P13-L16 HydrophobicContact CB-CG 4.4Å; P13-L16 HydrophobicContact CG-CD1 3.87Å; P13-L16 HydrophobicContact CG-CG 4.31Å; P13-L16 WeakPolarHBondContact O-CA 3.48Å; P13-L16 WeakPolarHBondContact O-CB 3.25Å; P13-L16 PolarHBondContact O-N 3.5Å; H14-L16 VanDerWaalsContact C-N 3.31Å; L16-R18 VanDerWaalsContact C-N 3.34Å; L16-R18 PolarHBondContact O-N 3.19Å |
| 17 | L | 61.2 | Low | 69.7 | Low | 101 Ų | 101 | 70.1 Ų | 70.1 | 53% | 0.529 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -73.7 | -19.9 | -179.9 | -79.5 | 168.8 | 0 | 0 | 0 | 114.5 | V12 P13 | V12-L17 HydrophobicContact CB-CD1 4.45Å; V12-L17 HydrophobicContact CB-CD2 3.74Å; V12-L17 HydrophobicContact CB-CG 3.85Å; V12-L17 HydrophobicContact CG1-CD2 3.76Å; V12-L17 HydrophobicContact CG1-CG 3.72Å; V12-L17 HydrophobicContact CG2-CD2 4.47Å; V12-L17 WeakPolarHBondContact O-CD1 3.15Å; P13-L17 PolarHBondContact O-N 3.23Å |
| 18 | R | 60.9 | Low | 72.2 | Confident | 124 Ų | 124 | 73.8 Ų | 73.8 | 47% | 0.468 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -139.4 | 93.5 | -170 | -79.1 | -177.1 | -171 | 140.5 | 15.3 | 110.5 | L16 R25 D279 | L16-R18 VanDerWaalsContact C-N 3.34Å; L16-R18 PolarHBondContact O-N 3.19Å; R18-R25 PolarHBondContact O-NH2 2.87Å; R18-D279 IonicContact CZ-OD1 2.65Å; R18-D279 IonicContact NH1-OD1 3.72Å; R18-D279 PolarHBondContact NH1-OD1 2.78Å; R18-D279 IonicContact NH2-OD1 3.23Å; R18-D279 PolarHBondContact NH2-OD1 3.16Å; R18-D279 IonicContact NH2-OD2 2.96Å; R18-D279 PolarHBondContact NH2-OD2 2.81Å |
| 19 | G | 74.9 | Confident | 74.8 | Confident | 75 Ų | 75 | 69.3 Ų | 69.3 | 77% | 0.773 | 39% | 0.388 | S | S | * | . | S | Bend | trans | 53.6 | -138.9 | 166.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 20 | D | 84.7 | Confident | 77.2 | Confident | 55 Ų | 55 | 66 Ų | 66 | 29% | 0.294 | 36% | 0.361 | S | S | . | . | trans | -80 | 118.2 | 179.4 | 168.7 | 30.8 | 0 | 0 | 0 | 111.6 | F22 A23 R96 | D20-F22 PolarHBondContact O-N 2.93Å; D20-F22 VanDerWaalsContact O-N 3.13Å; D20-F22 PolarHBondContact OD1-N 3.35Å; D20-A23 HydrophobicContact CB-CB 4.2Å; D20-A23 PolarHBondContact O-N 2.82Å; D20-A23 PolarHBondContact OD2-N 3.35Å; D20-R96 IonicContact OD1-CZ 3.6Å; D20-R96 IonicContact OD1-NH2 2.91Å; D20-R96 PolarHBondContact OD1-NH2 3Å; D20-R96 IonicContact OD2-CZ 3.45Å; D20-R96 IonicContact OD2-NE 2.88Å; D20-R96 IonicContact OD2-NH1 3.76Å; D20-R96 PolarHBondContact OD2-NH1 3.32Å; D20-R96 IonicContact OD2-NH2 3.29Å; D20-R96 PolarHBondContact OD2-NH2 3.46Å | ||
| 21 | P | 85 | Confident | 79.2 | Confident | 32 Ų | 32 | 61.9 Ų | 61.9 | 21% | 0.208 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -19.1 | -175.3 | 27.5 | -37.3 | 0 | 0 | 0 | 113.9 | Y15 P174 | Y15-P21 WeakPolarHBondContact O-CB 3.3Å; P21-P174 HydrophobicContact CB-CG 4.41Å |
| 22 | F | 91.1 | Very high | 81 | Confident | 24 Ų | 24 | 61.8 Ų | 61.8 | 11% | 0.105 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | -6.7 | -176 | -68.3 | -48.9 | 0 | 0 | 0 | 113.3 | D20 R96 W97 W101 C104 P174 | D20-F22 PolarHBondContact O-N 2.93Å; D20-F22 VanDerWaalsContact O-N 3.13Å; D20-F22 PolarHBondContact OD1-N 3.35Å; F22-R96 HydrophobicContact CB-CG 4.35Å; F22-R96 CarbonylContact O-C 3.48Å; F22-R96 WeakPolarHBondContact O-CA 3.47Å; F22-R96 WeakPolarHBondContact O-CG 3.32Å; F22-W97 HydrophobicContact CB-CB 3.86Å; F22-W97 HydrophobicContact CD1-CB 3.51Å; F22-W97 AromaticContact CD1-CD1 3.37Å; F22-W97 AromaticContact CD1-CG 3.66Å; F22-W97 HydrophobicContact CD1-CG 3.66Å; F22-W97 HydrophobicContact CE1-CB 4.32Å; F22-W97 AromaticContact CE1-CD1 3.32Å; F22-W97 AromaticContact CE1-CG 3.97Å; F22-W97 HydrophobicContact CE1-CG 3.97Å; F22-W97 AromaticContact CE1-NE1 4Å; F22-W97 HydrophobicContact CG-CB 3.97Å; F22-W97 HydrophobicContact CG-CG 4.36Å; F22-W97 AromaticContact CZ-CD1 3.95Å; F22-W97 PolarHBondContact O-N 3.3Å; F22-W101 HydrophobicContact CE1-CE3 4.28Å; F22-W101 HydrophobicContact CE2-CE3 4.27Å; F22-W101 AromaticContact CZ-CE3 3.56Å; F22-W101 HydrophobicContact CZ-CE3 3.56Å; F22-W101 HydrophobicContact CZ-CZ3 4.14Å; F22-C104 HydrophobicContact CE1-CB 4.18Å; F22-C104 HydrophobicContact CZ-CB 4.46Å; F22-P174 HydrophobicContact CD1-CG 3.94Å; F22-P174 HydrophobicContact CE1-CG 3.64Å |
| 23 | A | 91.4 | Very high | 82.6 | Confident | 38 Ų | 38 | 64.1 Ų | 64.1 | 31% | 0.314 | 34% | 0.339 | S | S | . | . | B | Isolated β-bridge | trans | -69.7 | 133.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | D20 | D20-A23 HydrophobicContact CB-CB 4.2Å; D20-A23 PolarHBondContact O-N 2.82Å; D20-A23 PolarHBondContact OD2-N 3.35Å |
| 24 | S | 92.1 | Very high | 84.2 | Confident | 14 Ų | 14 | 63.4 Ų | 63.4 | 10% | 0.098 | 34% | 0.335 | C | S | . | . | trans | -64.6 | 141 | 173.7 | -174.4 | 0 | 0 | 0 | 0 | 110.6 | L26 D31 H95 F177 | S24-L26 PolarHBondContact OG-N 2.82Å; S24-D31 WeakPolarHBondContact CB-OD2 3.31Å; S24-D31 PolarHBondContact OG-OD2 3.28Å; S24-H95 WeakPolarHBondContact CB-O 3.48Å; S24-H95 PolarHBondContact N-O 3.39Å; S24-F177 VanDerWaalsContact CA-O 3.29Å; S24-F177 WeakPolarHBondContact CA-O 3.36Å; S24-F177 PolarHBondContact OG-O 3.18Å | ||
| 25 | R | 90.5 | Very high | 85.8 | Confident | 80 Ų | 80 | 62 Ų | 62 | 30% | 0.302 | 33% | 0.328 | S | S | . | . | trans | -106.5 | 2.7 | 174.7 | -58.9 | -163.8 | -177.6 | 163 | 7.2 | 113.5 | R18 F177 I283 | R18-R25 PolarHBondContact O-NH2 2.87Å; R25-F177 PolarHBondContact N-O 3.07Å; R25-I283 HydrophobicContact CB-CD1 3.69Å | ||
| 26 | L | 90.9 | Very high | 87.6 | Confident | 27 Ų | 27 | 66.1 Ų | 66.1 | 14% | 0.141 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -79.7 | 171.5 | 172.8 | -66.8 | 171.6 | 0 | 0 | 0 | 109.9 | S24 A30 H95 F177 I283 V287 | S24-L26 PolarHBondContact OG-N 2.82Å; L26-A30 HydrophobicContact CB-CB 4.15Å; L26-H95 PolarHBondContact O-CE1 3.38Å; L26-F177 HydrophobicContact CD1-CB 3.99Å; L26-F177 HydrophobicContact CD1-CD2 4.42Å; L26-F177 HydrophobicContact CD1-CG 4.4Å; L26-F177 HydrophobicContact CD2-CB 4.38Å; L26-F177 HydrophobicContact CG-CB 3.92Å; L26-I283 HydrophobicContact CD2-CG2 3.64Å; L26-I283 HydrophobicContact CG-CG2 4.41Å; L26-V287 HydrophobicContact CD1-CG2 3.96Å; L26-V287 HydrophobicContact CD2-CG1 4.33Å |
| 27 | S | 94.1 | Very high | 89.3 | Confident | 61 Ų | 61 | 64.8 Ų | 64.8 | 43% | 0.427 | 34% | 0.335 | S | S | . | . | trans | -73 | 155.7 | 162 | 88 | 0 | 0 | 0 | 0 | 109.2 | E29 A30 D31 | S27-E29 WeakPolarHBondContact CB-OE2 3.44Å; S27-E29 PolarHBondContact O-N 3.3Å; S27-E29 PolarHBondContact OG-N 2.93Å; S27-E29 PolarHBondContact OG-OE2 3.38Å; S27-A30 PolarHBondContact O-N 3.27Å; S27-A30 VanDerWaalsContact O-N 3.14Å; S27-A30 PolarHBondContact OG-N 3.44Å; S27-D31 PolarHBondContact O-N 2.91Å | ||
| 28 | R | 94.1 | Very high | 91 | Very high | 174 Ų | 174 | 60 Ų | 60 | 66% | 0.657 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -57.6 | -37.6 | 176.5 | -91.3 | -175.7 | 178.2 | -164.8 | -1.1 | 112.1 | D31 I32 | R28-D31 PolarHBondContact O-N 3.08Å; R28-I32 WeakPolarHBondContact O-CB 3.43Å; R28-I32 WeakPolarHBondContact O-CD1 3.41Å; R28-I32 VanDerWaalsContact O-CG1 3.23Å; R28-I32 WeakPolarHBondContact O-CG1 3.31Å; R28-I32 PolarHBondContact O-N 3.19Å |
| 29 | E | 95.3 | Very high | 92.7 | Very high | 121 Ų | 121 | 56.3 Ų | 56.3 | 57% | 0.565 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -63.8 | -44 | 178.6 | -54.6 | 70.4 | -150.1 | 0 | 0 | 110.5 | S27 D31 I32 I33 | S27-E29 WeakPolarHBondContact CB-OE2 3.44Å; S27-E29 PolarHBondContact O-N 3.3Å; S27-E29 PolarHBondContact OG-N 2.93Å; S27-E29 PolarHBondContact OG-OE2 3.38Å; E29-D31 PolarHBondContact O-N 3.33Å; E29-I32 PolarHBondContact O-N 2.91Å; E29-I33 WeakPolarHBondContact O-CD1 3.13Å; E29-I33 VanDerWaalsContact O-CG1 3.23Å; E29-I33 WeakPolarHBondContact O-CG1 3.47Å; E29-I33 PolarHBondContact O-N 3.48Å |
| 30 | A | 94.3 | Very high | 93.7 | Very high | 36 Ų | 36 | 57.4 Ų | 57.4 | 30% | 0.298 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.7 | -40.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L26 S27 I33 A34 | L26-A30 HydrophobicContact CB-CB 4.15Å; S27-A30 PolarHBondContact O-N 3.27Å; S27-A30 VanDerWaalsContact O-N 3.14Å; S27-A30 PolarHBondContact OG-N 3.44Å; A30-I33 PolarHBondContact O-N 3.25Å; A30-A34 WeakPolarHBondContact O-CB 3.34Å; A30-A34 PolarHBondContact O-N 2.91Å |
| 31 | D | 95.4 | Very high | 94.2 | Very high | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64 | -43.2 | 173.5 | -93.1 | -36.2 | 0 | 0 | 0 | 112.7 | S24 S27 R28 E29 I33 A34 A35 S92 H95 | S24-D31 WeakPolarHBondContact CB-OD2 3.31Å; S24-D31 PolarHBondContact OG-OD2 3.28Å; S27-D31 PolarHBondContact O-N 2.91Å; R28-D31 PolarHBondContact O-N 3.08Å; E29-D31 PolarHBondContact O-N 3.33Å; D31-I33 VanDerWaalsContact C-N 3.34Å; D31-I33 PolarHBondContact O-N 3.28Å; D31-A34 PolarHBondContact O-N 3.39Å; D31-A35 VanDerWaalsContact O-CB 3.31Å; D31-A35 WeakPolarHBondContact O-CB 3.31Å; D31-A35 PolarHBondContact O-N 3.25Å; D31-S92 WeakPolarHBondContact CB-O 3.42Å; D31-H95 IonicContact OD2-CE1 3.68Å; D31-H95 PolarHBondContact OD2-CE1 2.91Å; D31-H95 VanDerWaalsContact OD2-CE1 3.23Å; D31-H95 IonicContact OD2-CG 3.6Å; D31-H95 IonicContact OD2-ND1 2.97Å; D31-H95 PolarHBondContact OD2-ND1 2.92Å |
| 32 | I | 96.2 | Very high | 94.7 | Very high | 73 Ų | 73 | 54.1 Ų | 54.1 | 37% | 0.374 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.1 | -44.9 | 176.6 | -71.5 | 165.4 | 0 | 0 | 0 | 110.2 | R28 E29 A35 F36 F93 | R28-I32 WeakPolarHBondContact O-CB 3.43Å; R28-I32 WeakPolarHBondContact O-CD1 3.41Å; R28-I32 VanDerWaalsContact O-CG1 3.23Å; R28-I32 WeakPolarHBondContact O-CG1 3.31Å; R28-I32 PolarHBondContact O-N 3.19Å; E29-I32 PolarHBondContact O-N 2.91Å; I32-A35 PolarHBondContact O-N 3.23Å; I32-F36 HydrophobicContact CG2-CD2 3.65Å; I32-F36 HydrophobicContact CG2-CE2 3.6Å; I32-F36 VanDerWaalsContact O-CD2 3.25Å; I32-F36 WeakPolarHBondContact O-CD2 3.22Å; I32-F36 PolarHBondContact O-N 3.12Å; I32-F93 HydrophobicContact CG1-CD1 4.48Å; I32-F93 HydrophobicContact CG2-CE1 4.47Å |
| 33 | I | 96.5 | Very high | 94.9 | Very high | 116 Ų | 116 | 57.9 Ų | 57.9 | 60% | 0.595 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -60.9 | -46.7 | 176.7 | -68.7 | 164.3 | 0 | 0 | 0 | 110.5 | E29 A30 D31 A35 F36 Y37 | E29-I33 WeakPolarHBondContact O-CD1 3.13Å; E29-I33 VanDerWaalsContact O-CG1 3.23Å; E29-I33 WeakPolarHBondContact O-CG1 3.47Å; E29-I33 PolarHBondContact O-N 3.48Å; A30-I33 PolarHBondContact O-N 3.25Å; D31-I33 VanDerWaalsContact C-N 3.34Å; D31-I33 PolarHBondContact O-N 3.28Å; I33-A35 VanDerWaalsContact C-N 3.34Å; I33-A35 PolarHBondContact O-N 3.08Å; I33-F36 PolarHBondContact O-N 3.32Å; I33-Y37 VanDerWaalsContact O-CB 3.31Å; I33-Y37 WeakPolarHBondContact O-CB 3.48Å; I33-Y37 PolarHBondContact O-N 2.91Å |
| 34 | A | 95.9 | Very high | 95 | Very high | 3 Ų | 3 | 60 Ų | 60 | 3% | 0.025 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.9 | -41.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | A30 D31 Y37 I38 F88 L291 | A30-A34 WeakPolarHBondContact O-CB 3.34Å; A30-A34 PolarHBondContact O-N 2.91Å; D31-A34 PolarHBondContact O-N 3.39Å; A34-Y37 PolarHBondContact O-N 3.25Å; A34-I38 WeakPolarHBondContact O-CG1 3.4Å; A34-I38 PolarHBondContact O-N 2.99Å; A34-F88 HydrophobicContact CB-CE1 4.07Å; A34-F88 HydrophobicContact CB-CZ 4.05Å; A34-L291 HydrophobicContact CB-CD1 4.04Å; A34-L291 HydrophobicContact CB-CD2 4.2Å |
| 35 | A | 96.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.1 | -50.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | D31 I32 I33 Y37 I38 C39 V89 F93 | D31-A35 VanDerWaalsContact O-CB 3.31Å; D31-A35 WeakPolarHBondContact O-CB 3.31Å; D31-A35 PolarHBondContact O-N 3.25Å; I32-A35 PolarHBondContact O-N 3.23Å; I33-A35 VanDerWaalsContact C-N 3.34Å; I33-A35 PolarHBondContact O-N 3.08Å; A35-Y37 PolarHBondContact O-N 3.36Å; A35-I38 PolarHBondContact O-N 3.03Å; A35-C39 WeakPolarHBondContact O-CB 3.48Å; A35-C39 PolarHBondContact O-N 3.43Å; A35-V89 HydrophobicContact CB-CG1 4.49Å; A35-F93 HydrophobicContact CB-CD1 3.98Å; A35-F93 HydrophobicContact CB-CD2 3.99Å; A35-F93 HydrophobicContact CB-CE1 3.77Å; A35-F93 HydrophobicContact CB-CE2 3.8Å; A35-F93 HydrophobicContact CB-CG 4.07Å; A35-F93 HydrophobicContact CB-CZ 3.68Å |
| 36 | F | 97.3 | Very high | 95.4 | Very high | 122 Ų | 122 | 56.6 Ų | 56.6 | 54% | 0.535 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.2 | -44.7 | 176.9 | -84.6 | -66.5 | 0 | 0 | 0 | 111.9 | I32 I33 C39 I40 F93 | I32-F36 HydrophobicContact CG2-CD2 3.65Å; I32-F36 HydrophobicContact CG2-CE2 3.6Å; I32-F36 VanDerWaalsContact O-CD2 3.25Å; I32-F36 WeakPolarHBondContact O-CD2 3.22Å; I32-F36 PolarHBondContact O-N 3.12Å; I33-F36 PolarHBondContact O-N 3.32Å; F36-C39 PolarHBondContact O-N 3.28Å; F36-I40 WeakPolarHBondContact O-CG1 3.42Å; F36-I40 PolarHBondContact O-N 3.02Å; F36-F93 HydrophobicContact CD2-CE1 4.29Å; F36-F93 HydrophobicContact CD2-CZ 4.37Å; F36-F93 HydrophobicContact CE1-CZ 4.4Å; F36-F93 HydrophobicContact CE2-CE1 4Å; F36-F93 HydrophobicContact CE2-CZ 4.22Å; F36-F93 HydrophobicContact CZ-CE1 4.33Å; F36-F93 HydrophobicContact CZ-CZ 4.23Å |
| 37 | Y | 96.6 | Very high | 95.6 | Very high | 84 Ų | 84 | 59.5 Ų | 59.5 | 33% | 0.329 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -56.5 | -56.5 | 176 | 175.3 | -101 | 0 | 0 | 0 | 111.1 | I33 A34 A35 C39 I40 I41 L291 S295 | I33-Y37 VanDerWaalsContact O-CB 3.31Å; I33-Y37 WeakPolarHBondContact O-CB 3.48Å; I33-Y37 PolarHBondContact O-N 2.91Å; A34-Y37 PolarHBondContact O-N 3.25Å; A35-Y37 PolarHBondContact O-N 3.36Å; Y37-C39 VanDerWaalsContact C-N 3.3Å; Y37-C39 PolarHBondContact O-N 3.49Å; Y37-I40 PolarHBondContact O-N 3.26Å; Y37-I41 HydrophobicContact CD1-CG1 4.34Å; Y37-I41 HydrophobicContact CD2-CG1 4.3Å; Y37-I41 HydrophobicContact CE1-CG1 4.04Å; Y37-I41 HydrophobicContact CE2-CD1 4.09Å; Y37-I41 HydrophobicContact CE2-CG1 4.01Å; Y37-I41 HydrophobicContact CG-CG1 4.46Å; Y37-I41 WeakPolarHBondContact O-CB 3.4Å; Y37-I41 WeakPolarHBondContact O-CG1 3.29Å; Y37-I41 PolarHBondContact O-N 2.8Å; Y37-L291 HydrophobicContact CD1-CB 4.3Å; Y37-L291 HydrophobicContact CD1-CD2 4.46Å; Y37-L291 HydrophobicContact CE1-CB 4.01Å; Y37-S295 WeakPolarHBondContact OH-CB 3.41Å; Y37-S295 PolarHBondContact OH-OG 3.02Å |
| 38 | I | 96.8 | Very high | 95.4 | Very high | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66 | -32 | -178.2 | -66.7 | -59.7 | 0 | 0 | 0 | 112.3 | A34 A35 G42 K85 F88 V89 L291 K294 | A34-I38 WeakPolarHBondContact O-CG1 3.4Å; A34-I38 PolarHBondContact O-N 2.99Å; A35-I38 PolarHBondContact O-N 3.03Å; I38-G42 WeakPolarHBondContact O-CA 3.3Å; I38-G42 PolarHBondContact O-N 3.05Å; I38-K85 HydrophobicContact CG2-CB 3.86Å; I38-K85 HydrophobicContact CG2-CG 4.04Å; I38-F88 HydrophobicContact CB-CD1 3.77Å; I38-F88 HydrophobicContact CB-CE1 4.01Å; I38-F88 HydrophobicContact CG1-CD1 3.66Å; I38-F88 HydrophobicContact CG1-CE1 3.52Å; I38-F88 HydrophobicContact CG1-CZ 4.41Å; I38-F88 HydrophobicContact CG2-CD1 3.81Å; I38-V89 HydrophobicContact CB-CG2 4.19Å; I38-V89 HydrophobicContact CG2-CG2 3.91Å; I38-L291 HydrophobicContact CD1-CD2 3.85Å; I38-L291 HydrophobicContact CG1-CD2 3.68Å; I38-K294 HydrophobicContact CD1-CB 3.92Å; I38-K294 HydrophobicContact CD1-CD 4.47Å |
| 39 | C | 97.2 | Very high | 95.5 | Very high | 46 Ų | 46 | 49.1 Ų | 49.1 | 31% | 0.311 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.5 | -51.4 | 174.9 | -175.2 | 0 | 0 | 0 | 0 | 111.4 | A35 F36 Y37 I41 G42 I43 V89 | A35-C39 WeakPolarHBondContact O-CB 3.48Å; A35-C39 PolarHBondContact O-N 3.43Å; F36-C39 PolarHBondContact O-N 3.28Å; Y37-C39 VanDerWaalsContact C-N 3.3Å; Y37-C39 PolarHBondContact O-N 3.49Å; C39-I41 PolarHBondContact O-N 3.33Å; C39-G42 PolarHBondContact O-N 3.17Å; C39-I43 WeakPolarHBondContact O-CG1 3.48Å; C39-I43 PolarHBondContact O-N 3.28Å; C39-V89 HydrophobicContact CB-CG1 4.31Å; C39-V89 HydrophobicContact CB-CG2 4.02Å |
| 40 | I | 95.9 | Very high | 95.5 | Very high | 98 Ų | 98 | 44.3 Ų | 44.3 | 50% | 0.503 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60.4 | -50 | 178.1 | -67 | 167.2 | 0 | 0 | 0 | 110.4 | F36 Y37 G42 I43 M44 | F36-I40 WeakPolarHBondContact O-CG1 3.42Å; F36-I40 PolarHBondContact O-N 3.02Å; Y37-I40 PolarHBondContact O-N 3.26Å; I40-G42 PolarHBondContact O-N 2.67Å; I40-I43 PolarHBondContact O-N 3.1Å; I40-M44 HydrophobicContact CG2-CE 3.68Å; I40-M44 WeakPolarHBondContact O-CG 3.49Å; I40-M44 PolarHBondContact O-N 2.84Å |
| 41 | I | 95 | Very high | 95.3 | Very high | 9 Ų | 9 | 46.7 Ų | 46.7 | 5% | 0.046 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -57.6 | -40.2 | 177.6 | -65.2 | -62.8 | 0 | 0 | 0 | 110.8 | Y37 C39 M44 S45 M298 | Y37-I41 HydrophobicContact CD1-CG1 4.34Å; Y37-I41 HydrophobicContact CD2-CG1 4.3Å; Y37-I41 HydrophobicContact CE1-CG1 4.04Å; Y37-I41 HydrophobicContact CE2-CD1 4.09Å; Y37-I41 HydrophobicContact CE2-CG1 4.01Å; Y37-I41 HydrophobicContact CG-CG1 4.46Å; Y37-I41 WeakPolarHBondContact O-CB 3.4Å; Y37-I41 WeakPolarHBondContact O-CG1 3.29Å; Y37-I41 PolarHBondContact O-N 2.8Å; C39-I41 PolarHBondContact O-N 3.33Å; I41-M44 HydrophobicContact CD1-CE 4.42Å; I41-S45 VanDerWaalsContact O-CB 3.27Å; I41-S45 WeakPolarHBondContact O-CB 3.25Å; I41-S45 PolarHBondContact O-N 2.86Å; I41-M298 HydrophobicContact CB-SD 4.48Å; I41-M298 HydrophobicContact CD1-CE 3.28Å; I41-M298 HydrophobicContact CD1-SD 3.37Å; I41-M298 WeakPolarHBondContact CD1-SD 3.31Å; I41-M298 HydrophobicContact CG1-SD 4.46Å; I41-M298 HydrophobicContact CG2-CB 4.26Å; I41-M298 HydrophobicContact CG2-SD 4.42Å |
| 42 | G | 95.4 | Very high | 95.1 | Very high | 9 Ų | 9 | 47.4 Ų | 47.4 | 9% | 0.093 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67.8 | -44.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | I38 C39 I40 S45 A46 | I38-G42 WeakPolarHBondContact O-CA 3.3Å; I38-G42 PolarHBondContact O-N 3.05Å; C39-G42 PolarHBondContact O-N 3.17Å; I40-G42 PolarHBondContact O-N 2.67Å; G42-S45 PolarHBondContact O-N 2.75Å; G42-A46 WeakPolarHBondContact O-CB 3.18Å; G42-A46 PolarHBondContact O-N 3.4Å |
| 43 | I | 95.4 | Very high | 94.9 | Very high | 102 Ų | 102 | 45.5 Ų | 45.5 | 52% | 0.523 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.2 | -47.6 | 174.6 | -66.5 | 166.4 | 0 | 0 | 0 | 109.9 | C39 I40 S45 T47 | C39-I43 WeakPolarHBondContact O-CG1 3.48Å; C39-I43 PolarHBondContact O-N 3.28Å; I40-I43 PolarHBondContact O-N 3.1Å; I43-S45 PolarHBondContact O-N 2.7Å; I43-T47 HydrophobicContact CG2-CG2 4.31Å; I43-T47 WeakPolarHBondContact O-CB 3.46Å; I43-T47 VanDerWaalsContact O-CG2 3.26Å; I43-T47 WeakPolarHBondContact O-CG2 3.31Å; I43-T47 PolarHBondContact O-N 2.94Å; I43-T47 PolarHBondContact O-OG1 3.28Å |
| 44 | M | 93.9 | Very high | 94.7 | Very high | 83 Ų | 83 | 45.7 Ų | 45.7 | 41% | 0.409 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.5 | -43.1 | 179.8 | -70.6 | -157.7 | -78.4 | 0 | 0 | 112.6 | I40 I41 T47 G48 M298 | I40-M44 HydrophobicContact CG2-CE 3.68Å; I40-M44 WeakPolarHBondContact O-CG 3.49Å; I40-M44 PolarHBondContact O-N 2.84Å; I41-M44 HydrophobicContact CD1-CE 4.42Å; M44-T47 PolarHBondContact O-OG1 3.04Å; M44-G48 PolarHBondContact O-N 3.36Å; M44-M298 HydrophobicContact CB-CG 3.9Å; M44-M298 HydrophobicContact CB-SD 3.79Å; M44-M298 HydrophobicContact CE-CE 4.08Å; M44-M298 HydrophobicContact CE-CG 4.48Å; M44-M298 HydrophobicContact CE-SD 3.07Å; M44-M298 WeakPolarHBondContact CE-SD 3.29Å; M44-M298 HydrophobicContact CG-SD 4.4Å; M44-M298 HydrophobicContact SD-SD 3.99Å |
| 45 | S | 94.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -69.2 | -44.5 | 178.8 | -174.6 | 0 | 0 | 0 | 0 | 112.1 | I41 G42 I43 G48 N49 S81 A297 | I41-S45 VanDerWaalsContact O-CB 3.27Å; I41-S45 WeakPolarHBondContact O-CB 3.25Å; I41-S45 PolarHBondContact O-N 2.86Å; G42-S45 PolarHBondContact O-N 2.75Å; I43-S45 PolarHBondContact O-N 2.7Å; S45-G48 PolarHBondContact O-N 2.96Å; S45-N49 WeakPolarHBondContact O-CB 3.4Å; S45-N49 PolarHBondContact O-N 3.36Å; S45-N49 PolarHBondContact O-ND2 2.81Å; S45-N49 PolarHBondContact OG-ND2 3.44Å; S45-N49 VanDerWaalsContact OG-ND2 3.16Å; S45-S81 VanDerWaalsContact CB-OG 3.29Å; S45-S81 WeakPolarHBondContact CB-OG 3.48Å; S45-S81 PolarHBondContact OG-OG 2.7Å; S45-A297 WeakPolarHBondContact OG-CB 3.13Å; S45-A297 PolarHBondContact OG-O 3.31Å |
| 46 | A | 96 | Very high | 93.8 | Very high | 22 Ų | 22 | 50.5 Ų | 50.5 | 18% | 0.182 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.3 | -45 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | G42 G50 F78 | G42-A46 WeakPolarHBondContact O-CB 3.18Å; G42-A46 PolarHBondContact O-N 3.4Å; A46-G50 WeakPolarHBondContact O-CA 3.46Å; A46-G50 PolarHBondContact O-N 3.34Å; A46-F78 HydrophobicContact CB-CD2 4.46Å; A46-F78 HydrophobicContact CB-CE2 4.35Å; A46-F78 WeakPolarHBondContact O-CD2 3.46Å; A46-F78 WeakPolarHBondContact O-CE2 3.32Å |
| 47 | T | 94.1 | Very high | 93.4 | Very high | 89 Ų | 89 | 50.7 Ų | 50.7 | 55% | 0.546 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -67.2 | -44.7 | 177.7 | 54.2 | 0 | 0 | 0 | 0 | 111.9 | I43 M44 F51 | I43-T47 HydrophobicContact CG2-CG2 4.31Å; I43-T47 WeakPolarHBondContact O-CB 3.46Å; I43-T47 VanDerWaalsContact O-CG2 3.26Å; I43-T47 WeakPolarHBondContact O-CG2 3.31Å; I43-T47 PolarHBondContact O-N 2.94Å; I43-T47 PolarHBondContact O-OG1 3.28Å; M44-T47 PolarHBondContact O-OG1 3.04Å; T47-F51 VanDerWaalsContact O-CB 3.23Å; T47-F51 WeakPolarHBondContact O-CB 3.44Å; T47-F51 PolarHBondContact O-N 2.93Å |
| 48 | G | 91.6 | Very high | 93 | Very high | 17 Ų | 17 | 53 Ų | 53 | 18% | 0.175 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.6 | -52 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113 | M44 S45 F51 V52 | M44-G48 PolarHBondContact O-N 3.36Å; S45-G48 PolarHBondContact O-N 2.96Å; G48-F51 PolarHBondContact O-N 3.35Å; G48-V52 PolarHBondContact O-N 3.39Å |
| 49 | N | 94.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -72.2 | -37.8 | 179.6 | -69.4 | -58.3 | 0 | 0 | 0 | 111.9 | S45 F51 V52 I53 A74 D77 F78 A297 | S45-N49 WeakPolarHBondContact O-CB 3.4Å; S45-N49 PolarHBondContact O-N 3.36Å; S45-N49 PolarHBondContact O-ND2 2.81Å; S45-N49 PolarHBondContact OG-ND2 3.44Å; S45-N49 VanDerWaalsContact OG-ND2 3.16Å; N49-F51 VanDerWaalsContact C-N 3.28Å; N49-F51 PolarHBondContact O-N 3Å; N49-V52 WeakPolarHBondContact O-CB 3.45Å; N49-V52 PolarHBondContact O-N 3.5Å; N49-V52 VanDerWaalsContact O-N 3.15Å; N49-I53 WeakPolarHBondContact O-CG1 3.35Å; N49-I53 PolarHBondContact O-N 3.47Å; N49-A74 HydrophobicContact CB-CB 4.24Å; N49-D77 HydrophobicContact CB-CB 4.46Å; N49-D77 WeakPolarHBondContact ND2-CB 3.41Å; N49-F78 HydrophobicContact CB-CB 4.07Å; N49-A297 PolarHBondContact ND2-O 2.86Å |
| 50 | G | 94.6 | Very high | 91.7 | Very high | 20 Ų | 20 | 64.6 Ų | 64.6 | 21% | 0.206 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59.9 | -37.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | A46 I53 Y54 | A46-G50 WeakPolarHBondContact O-CA 3.46Å; A46-G50 PolarHBondContact O-N 3.34Å; G50-I53 PolarHBondContact O-N 2.99Å; G50-Y54 WeakPolarHBondContact O-CB 3.25Å; G50-Y54 PolarHBondContact O-N 3.13Å |
| 51 | F | 91.4 | Very high | 91 | Very high | 86 Ų | 86 | 63.8 Ų | 63.8 | 38% | 0.377 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65 | -40.7 | 174.3 | -178.2 | -95.4 | 0 | 0 | 0 | 112.6 | T47 G48 N49 I53 Y54 M55 F332 | T47-F51 VanDerWaalsContact O-CB 3.23Å; T47-F51 WeakPolarHBondContact O-CB 3.44Å; T47-F51 PolarHBondContact O-N 2.93Å; G48-F51 PolarHBondContact O-N 3.35Å; N49-F51 VanDerWaalsContact C-N 3.28Å; N49-F51 PolarHBondContact O-N 3Å; F51-I53 VanDerWaalsContact C-N 3.34Å; F51-I53 PolarHBondContact O-N 3.06Å; F51-Y54 PolarHBondContact O-N 2.92Å; F51-M55 HydrophobicContact CD1-CG 4.09Å; F51-M55 HydrophobicContact CD2-CE 4.16Å; F51-M55 HydrophobicContact CD2-CG 4.42Å; F51-M55 HydrophobicContact CE1-CE 4.31Å; F51-M55 HydrophobicContact CE1-CG 3.65Å; F51-M55 HydrophobicContact CE2-CE 3.23Å; F51-M55 HydrophobicContact CE2-CG 4.04Å; F51-M55 HydrophobicContact CE2-SD 4.47Å; F51-M55 HydrophobicContact CG-CG 4.45Å; F51-M55 HydrophobicContact CZ-CE 3.33Å; F51-M55 HydrophobicContact CZ-CG 3.65Å; F51-M55 HydrophobicContact CZ-SD 4.18Å; F51-M55 WeakPolarHBondContact O-CB 3.27Å; F51-M55 WeakPolarHBondContact O-CG 3.49Å; F51-M55 PolarHBondContact O-N 3.46Å; F51-F332 HydrophobicContact CD1-CE2 4.29Å; F51-F332 AromaticContact CE1-CD2 3.74Å; F51-F332 HydrophobicContact CE1-CD2 3.74Å; F51-F332 AromaticContact CE1-CE2 3.7Å; F51-F332 HydrophobicContact CE1-CE2 3.7Å |
| 52 | V | 90.3 | Very high | 90.5 | Very high | 15 Ų | 15 | 72 Ų | 72 | 9% | 0.091 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -59.9 | -45.7 | 174.8 | 172.7 | 0 | 0 | 0 | 0 | 110.6 | G48 N49 T56 I70 A74 Y304 | G48-V52 PolarHBondContact O-N 3.39Å; N49-V52 WeakPolarHBondContact O-CB 3.45Å; N49-V52 PolarHBondContact O-N 3.5Å; N49-V52 VanDerWaalsContact O-N 3.15Å; V52-T56 WeakPolarHBondContact O-CB 3.4Å; V52-T56 PolarHBondContact O-N 2.96Å; V52-T56 VanDerWaalsContact O-N 3.11Å; V52-T56 PolarHBondContact O-OG1 3.47Å; V52-I70 HydrophobicContact CG1-CG2 4.29Å; V52-A74 HydrophobicContact CB-CB 4.09Å; V52-A74 HydrophobicContact CG1-CB 3.85Å; V52-Y304 HydrophobicContact CG2-CD2 4.22Å; V52-Y304 HydrophobicContact CG2-CE2 4.36Å |
| 53 | I | 93.1 | Very high | 90 | Very high | 34 Ų | 34 | 72.9 Ų | 72.9 | 17% | 0.174 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62.5 | -49.4 | 176.7 | -63.8 | 165.9 | 0 | 0 | 0 | 110.2 | N49 G50 F51 M55 T56 I57 A74 I75 F78 | N49-I53 WeakPolarHBondContact O-CG1 3.35Å; N49-I53 PolarHBondContact O-N 3.47Å; G50-I53 PolarHBondContact O-N 2.99Å; F51-I53 VanDerWaalsContact C-N 3.34Å; F51-I53 PolarHBondContact O-N 3.06Å; I53-M55 PolarHBondContact O-N 2.63Å; I53-T56 WeakPolarHBondContact O-CB 3.31Å; I53-T56 PolarHBondContact O-N 3.24Å; I53-T56 VanDerWaalsContact O-N 3.17Å; I53-I57 HydrophobicContact CG2-CD1 3.87Å; I53-I57 WeakPolarHBondContact O-CG1 3.42Å; I53-I57 PolarHBondContact O-N 2.9Å; I53-A74 HydrophobicContact CG1-CB 4.1Å; I53-I75 HydrophobicContact CD1-CG1 3.98Å; I53-I75 HydrophobicContact CG1-CG1 4.19Å; I53-F78 HydrophobicContact CD1-CB 3.89Å; I53-F78 HydrophobicContact CD1-CD1 4.43Å; I53-F78 HydrophobicContact CD1-CG 4.12Å |
| 54 | Y | 91.3 | Very high | 89.5 | Confident | 120 Ų | 120 | 72 Ų | 72 | 47% | 0.471 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -58.4 | -48 | -179.7 | 173.1 | -101.1 | 0 | 0 | 0 | 112.6 | G50 F51 T56 I57 K58 | G50-Y54 WeakPolarHBondContact O-CB 3.25Å; G50-Y54 PolarHBondContact O-N 3.13Å; F51-Y54 PolarHBondContact O-N 2.92Å; Y54-T56 PolarHBondContact O-N 3Å; Y54-I57 PolarHBondContact O-N 2.7Å; Y54-K58 HydrophobicContact CD2-CG 4.42Å; Y54-K58 HydrophobicContact CE1-CG 4.05Å; Y54-K58 HydrophobicContact CE2-CD 4.33Å; Y54-K58 VanDerWaalsContact CE2-CE 3.41Å; Y54-K58 HydrophobicContact CE2-CG 3.94Å; Y54-K58 WeakPolarHBondContact O-CG 3.47Å; Y54-K58 PolarHBondContact O-N 3.35Å; Y54-K58 VanDerWaalsContact OH-CE 3.27Å; Y54-K58 WeakPolarHBondContact OH-CE 3.31Å |
| 55 | M | 86.7 | Confident | 89.1 | Confident | 72 Ų | 72 | 69.3 Ų | 69.3 | 36% | 0.355 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63.8 | -33.6 | 179.1 | -75.5 | -61.8 | 161.2 | 0 | 0 | 112.2 | F51 I53 R59 | F51-M55 HydrophobicContact CD1-CG 4.09Å; F51-M55 HydrophobicContact CD2-CE 4.16Å; F51-M55 HydrophobicContact CD2-CG 4.42Å; F51-M55 HydrophobicContact CE1-CE 4.31Å; F51-M55 HydrophobicContact CE1-CG 3.65Å; F51-M55 HydrophobicContact CE2-CE 3.23Å; F51-M55 HydrophobicContact CE2-CG 4.04Å; F51-M55 HydrophobicContact CE2-SD 4.47Å; F51-M55 HydrophobicContact CG-CG 4.45Å; F51-M55 HydrophobicContact CZ-CE 3.33Å; F51-M55 HydrophobicContact CZ-CG 3.65Å; F51-M55 HydrophobicContact CZ-SD 4.18Å; F51-M55 WeakPolarHBondContact O-CB 3.27Å; F51-M55 WeakPolarHBondContact O-CG 3.49Å; F51-M55 PolarHBondContact O-N 3.46Å; I53-M55 PolarHBondContact O-N 2.63Å; M55-R59 PolarHBondContact O-N 3.42Å |
| 56 | T | 87.9 | Confident | 88.5 | Confident | 31 Ų | 31 | 70.5 Ų | 70.5 | 19% | 0.19 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -65.8 | -45.5 | 174.4 | -61 | 0 | 0 | 0 | 0 | 111.3 | V52 I53 Y54 K58 R59 L63 V71 | V52-T56 WeakPolarHBondContact O-CB 3.4Å; V52-T56 PolarHBondContact O-N 2.96Å; V52-T56 VanDerWaalsContact O-N 3.11Å; V52-T56 PolarHBondContact O-OG1 3.47Å; I53-T56 WeakPolarHBondContact O-CB 3.31Å; I53-T56 PolarHBondContact O-N 3.24Å; I53-T56 VanDerWaalsContact O-N 3.17Å; Y54-T56 PolarHBondContact O-N 3Å; T56-K58 VanDerWaalsContact C-N 3.33Å; T56-K58 PolarHBondContact O-N 3.1Å; T56-R59 VanDerWaalsContact O-CB 3.31Å; T56-R59 WeakPolarHBondContact O-CB 3.34Å; T56-R59 PolarHBondContact O-N 2.95Å; T56-L63 HydrophobicContact CG2-CD1 3.41Å; T56-L63 VanDerWaalsContact CG2-CD1 3.41Å; T56-L63 HydrophobicContact CG2-CD2 3.9Å; T56-L63 HydrophobicContact CG2-CG 4.24Å; T56-V71 HydrophobicContact CG2-CB 4.48Å; T56-V71 HydrophobicContact CG2-CG1 4.23Å; T56-V71 HydrophobicContact CG2-CG2 3.48Å; T56-V71 VanDerWaalsContact CG2-CG2 3.48Å; T56-V71 VanDerWaalsContact OG1-CG2 3.31Å; T56-V71 WeakPolarHBondContact OG1-CG2 3.39Å |
| 57 | I | 89 | Confident | 88.1 | Confident | 127 Ų | 127 | 70.4 Ų | 70.4 | 65% | 0.651 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -62.8 | -39.2 | 178.1 | -67.1 | 166.6 | 0 | 0 | 0 | 111.4 | I53 Y54 R59 | I53-I57 HydrophobicContact CG2-CD1 3.87Å; I53-I57 WeakPolarHBondContact O-CG1 3.42Å; I53-I57 PolarHBondContact O-N 2.9Å; Y54-I57 PolarHBondContact O-N 2.7Å; I57-R59 PolarHBondContact O-N 3.31Å |
| 58 | K | 88.1 | Confident | 88 | Confident | 133 Ų | 133 | 67 Ų | 67 | 58% | 0.578 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -10.2 | 179.1 | -68.5 | -61.9 | -175.2 | -175 | 0 | 113.8 | Y54 T56 | Y54-K58 HydrophobicContact CD2-CG 4.42Å; Y54-K58 HydrophobicContact CE1-CG 4.05Å; Y54-K58 HydrophobicContact CE2-CD 4.33Å; Y54-K58 VanDerWaalsContact CE2-CE 3.41Å; Y54-K58 HydrophobicContact CE2-CG 3.94Å; Y54-K58 WeakPolarHBondContact O-CG 3.47Å; Y54-K58 PolarHBondContact O-N 3.35Å; Y54-K58 VanDerWaalsContact OH-CE 3.27Å; Y54-K58 WeakPolarHBondContact OH-CE 3.31Å; T56-K58 VanDerWaalsContact C-N 3.33Å; T56-K58 PolarHBondContact O-N 3.1Å |
| 59 | R | 85.8 | Confident | 87.9 | Confident | 74 Ų | 74 | 66.6 Ų | 66.6 | 28% | 0.279 | 32% | 0.317 | S | S | . | . | trans | -79.4 | 124.9 | -176.5 | -171.8 | 166.7 | 168 | -151.5 | -21.6 | 111.1 | M55 T56 I57 T61 E67 S336 | M55-R59 PolarHBondContact O-N 3.42Å; T56-R59 VanDerWaalsContact O-CB 3.31Å; T56-R59 WeakPolarHBondContact O-CB 3.34Å; T56-R59 PolarHBondContact O-N 2.95Å; I57-R59 PolarHBondContact O-N 3.31Å; R59-T61 VanDerWaalsContact C-N 3.33Å; R59-T61 WeakPolarHBondContact CG-OG1 3.21Å; R59-T61 PolarHBondContact NE-OG1 2.91Å; R59-T61 PolarHBondContact NH2-OG1 3.03Å; R59-T61 PolarHBondContact O-N 3Å; R59-E67 IonicContact CZ-OE1 3.42Å; R59-E67 IonicContact CZ-OE2 3.48Å; R59-E67 IonicContact NH1-OE1 2.75Å; R59-E67 PolarHBondContact NH1-OE1 3.09Å; R59-E67 IonicContact NH1-OE2 3.05Å; R59-E67 PolarHBondContact NH1-OE2 3.42Å; R59-E67 IonicContact NH2-OE1 3.26Å; R59-E67 PolarHBondContact NH2-OE1 3.05Å; R59-E67 IonicContact NH2-OE2 3.02Å; R59-E67 PolarHBondContact NH2-OE2 3.22Å; R59-S336 PolarHBondContact NH1-OG 2.96Å; R59-S336 PolarHBondContact NH2-OG 3.21Å | ||
| 60 | K | 79.3 | Confident | 87.7 | Confident | 215 Ų | 215 | 69 Ų | 69 | 94% | 0.935 | 33% | 0.329 | S | S | * | . | trans | -80.7 | -10.7 | 179.9 | -61 | -171.1 | 178.1 | -172.3 | 0 | 114.3 | ||||
| 61 | T | 83.1 | Confident | 87.7 | Confident | 82 Ų | 82 | 69 Ų | 69 | 50% | 0.503 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -99.2 | 148.2 | -177.6 | 64.1 | 0 | 0 | 0 | 0 | 111.4 | R59 L63 | R59-T61 VanDerWaalsContact C-N 3.33Å; R59-T61 WeakPolarHBondContact CG-OG1 3.21Å; R59-T61 PolarHBondContact NE-OG1 2.91Å; R59-T61 PolarHBondContact NH2-OG1 3.03Å; R59-T61 PolarHBondContact O-N 3Å; T61-L63 PolarHBondContact O-N 3.39Å |
| 62 | K | 84.3 | Confident | 87.9 | Confident | 181 Ų | 181 | 65.3 Ų | 65.3 | 79% | 0.787 | 31% | 0.31 | S | S | * | . | P | Polyproline II helix | trans | -57.1 | 128 | 173.7 | -78.5 | -174.9 | -176.1 | -179 | 0 | 111.4 | ||
| 63 | L | 84.8 | Confident | 88.1 | Confident | 27 Ų | 27 | 65 Ų | 65 | 14% | 0.141 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -67.5 | 142.8 | 174.2 | -59.5 | 171.4 | 0 | 0 | 0 | 111.5 | T56 T61 E67 L68 R144 | T56-L63 HydrophobicContact CG2-CD1 3.41Å; T56-L63 VanDerWaalsContact CG2-CD1 3.41Å; T56-L63 HydrophobicContact CG2-CD2 3.9Å; T56-L63 HydrophobicContact CG2-CG 4.24Å; T61-L63 PolarHBondContact O-N 3.39Å; L63-E67 WeakPolarHBondContact CA-OE2 3.36Å; L63-E67 HydrophobicContact CB-CB 4.34Å; L63-E67 HydrophobicContact CD2-CB 4.34Å; L63-L68 HydrophobicContact CB-CD2 3.94Å; L63-L68 HydrophobicContact CB-CG 4.02Å; L63-L68 HydrophobicContact CD1-CD2 3.72Å; L63-L68 HydrophobicContact CG-CD2 4.49Å; L63-R144 PolarHBondContact O-NH1 3.18Å |
| 64 | K | 84.5 | Confident | 88.3 | Confident | 84 Ų | 84 | 63.4 Ų | 63.4 | 37% | 0.365 | 30% | 0.3 | S | S | . | . | P | Polyproline II helix | trans | -82 | 157.8 | 171.8 | -66.9 | -175.4 | 164.3 | -170.9 | 0 | 111.1 | P66 E67 L68 I339 | K64-P66 HydrophobicContact CB-CG 4.33Å; K64-E67 HydrophobicContact CB-CG 4.17Å; K64-E67 PolarHBondContact N-OE2 3.39Å; K64-E67 WeakPolarHBondContact O-CA 3.36Å; K64-E67 WeakPolarHBondContact O-CB 3.38Å; K64-E67 PolarHBondContact O-N 3.41Å; K64-L68 PolarHBondContact O-N 2.67Å; K64-I339 HydrophobicContact CD-CD1 3.91Å |
| 65 | P | 85.8 | Confident | 88.6 | Confident | 27 Ų | 27 | 60.7 Ų | 60.7 | 18% | 0.175 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -42.6 | -52.4 | 174.7 | -33.5 | 38.9 | 0 | 0 | 0 | 116.3 | E67 L68 M69 T147 | P65-E67 VanDerWaalsContact C-N 3.29Å; P65-E67 PolarHBondContact O-N 3.36Å; P65-L68 PolarHBondContact O-N 3.41Å; P65-M69 PolarHBondContact O-N 3.08Å; P65-T147 HydrophobicContact CB-CG2 4.42Å; P65-T147 VanDerWaalsContact CB-OG1 3.31Å; P65-T147 WeakPolarHBondContact CB-OG1 3.36Å |
| 66 | P | 82.3 | Confident | 89.1 | Confident | 24 Ų | 24 | 57.2 Ų | 57.2 | 16% | 0.156 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.9 | -31.5 | 178.8 | 26.2 | -36.2 | 0 | 0 | 0 | 113.1 | K64 M69 I70 | K64-P66 HydrophobicContact CB-CG 4.33Å; P66-M69 PolarHBondContact O-N 2.85Å; P66-I70 WeakPolarHBondContact O-CG1 3.21Å; P66-I70 PolarHBondContact O-N 2.95Å; P66-I70 VanDerWaalsContact O-N 3.12Å |
| 67 | E | 87.2 | Confident | 89.5 | Confident | 21 Ų | 21 | 56 Ų | 56 | 10% | 0.098 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -69.4 | -36.9 | 178.3 | -58.4 | 176.9 | 135.4 | 0 | 0 | 110.7 | R59 L63 K64 P65 M69 I70 V71 S336 | R59-E67 IonicContact CZ-OE1 3.42Å; R59-E67 IonicContact CZ-OE2 3.48Å; R59-E67 IonicContact NH1-OE1 2.75Å; R59-E67 PolarHBondContact NH1-OE1 3.09Å; R59-E67 IonicContact NH1-OE2 3.05Å; R59-E67 PolarHBondContact NH1-OE2 3.42Å; R59-E67 IonicContact NH2-OE1 3.26Å; R59-E67 PolarHBondContact NH2-OE1 3.05Å; R59-E67 IonicContact NH2-OE2 3.02Å; R59-E67 PolarHBondContact NH2-OE2 3.22Å; L63-E67 WeakPolarHBondContact CA-OE2 3.36Å; L63-E67 HydrophobicContact CB-CB 4.34Å; L63-E67 HydrophobicContact CD2-CB 4.34Å; K64-E67 HydrophobicContact CB-CG 4.17Å; K64-E67 PolarHBondContact N-OE2 3.39Å; K64-E67 WeakPolarHBondContact O-CA 3.36Å; K64-E67 WeakPolarHBondContact O-CB 3.38Å; K64-E67 PolarHBondContact O-N 3.41Å; P65-E67 VanDerWaalsContact C-N 3.29Å; P65-E67 PolarHBondContact O-N 3.36Å; E67-M69 VanDerWaalsContact C-N 3.34Å; E67-M69 PolarHBondContact O-N 2.8Å; E67-I70 PolarHBondContact O-N 3.34Å; E67-V71 WeakPolarHBondContact O-CG2 3.4Å; E67-V71 PolarHBondContact O-N 2.9Å; E67-S336 PolarHBondContact OE1-OG 3.25Å |
| 68 | L | 91.3 | Very high | 89.9 | Confident | 17 Ų | 17 | 53.6 Ų | 53.6 | 9% | 0.089 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.1 | -41.1 | 174.3 | -70.9 | 168.3 | 0 | 0 | 0 | 112 | L63 K64 P65 V71 N72 R144 T147 F148 L151 | L63-L68 HydrophobicContact CB-CD2 3.94Å; L63-L68 HydrophobicContact CB-CG 4.02Å; L63-L68 HydrophobicContact CD1-CD2 3.72Å; L63-L68 HydrophobicContact CG-CD2 4.49Å; K64-L68 PolarHBondContact O-N 2.67Å; P65-L68 PolarHBondContact O-N 3.41Å; L68-V71 PolarHBondContact O-N 3.43Å; L68-N72 WeakPolarHBondContact O-CB 3.46Å; L68-N72 PolarHBondContact O-N 3.48Å; L68-R144 HydrophobicContact CD1-CG 4.01Å; L68-T147 HydrophobicContact CB-CG2 3.95Å; L68-T147 HydrophobicContact CD1-CG2 4.03Å; L68-F148 HydrophobicContact CD1-CE2 4.43Å; L68-F148 HydrophobicContact CD1-CZ 4.18Å; L68-L151 HydrophobicContact CB-CD1 4.48Å |
| 69 | M | 91.1 | Very high | 90.3 | Very high | 8 Ų | 8 | 47.7 Ų | 47.7 | 4% | 0.039 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -68.3 | -37.5 | 178.4 | -69.3 | -68.8 | 173.3 | 0 | 0 | 112.5 | P65 P66 E67 V71 N72 L73 V124 V125 T147 C150 L151 | P65-M69 PolarHBondContact O-N 3.08Å; P66-M69 PolarHBondContact O-N 2.85Å; E67-M69 VanDerWaalsContact C-N 3.34Å; E67-M69 PolarHBondContact O-N 2.8Å; M69-V71 VanDerWaalsContact C-N 3.34Å; M69-N72 PolarHBondContact O-N 2.75Å; M69-L73 PolarHBondContact O-N 3.11Å; M69-V124 HydrophobicContact CE-CG1 3.69Å; M69-V124 HydrophobicContact SD-CG1 4.16Å; M69-V125 HydrophobicContact CB-CG2 3.59Å; M69-V125 HydrophobicContact CG-CG2 4.13Å; M69-T147 HydrophobicContact CE-CG2 3.55Å; M69-T147 HydrophobicContact CG-CG2 4.15Å; M69-T147 HydrophobicContact SD-CG2 4.49Å; M69-C150 HydrophobicContact CE-CB 3.61Å; M69-L151 HydrophobicContact CE-CD2 3.96Å; M69-L151 HydrophobicContact CE-CG 4.07Å; M69-L151 HydrophobicContact SD-CD2 3.65Å; M69-L151 HydrophobicContact SD-CG 4.38Å |
| 70 | I | 90.4 | Very high | 90.7 | Very high | 50 Ų | 50 | 45.6 Ų | 45.6 | 26% | 0.256 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -63.1 | -42.7 | 173.4 | -70.1 | 165.9 | 0 | 0 | 0 | 110.8 | V52 P66 E67 N72 L73 A74 | V52-I70 HydrophobicContact CG1-CG2 4.29Å; P66-I70 WeakPolarHBondContact O-CG1 3.21Å; P66-I70 PolarHBondContact O-N 2.95Å; P66-I70 VanDerWaalsContact O-N 3.12Å; E67-I70 PolarHBondContact O-N 3.34Å; I70-N72 VanDerWaalsContact C-N 3.34Å; I70-L73 PolarHBondContact O-N 3.36Å; I70-A74 PolarHBondContact O-N 2.85Å |
| 71 | V | 93.3 | Very high | 91.5 | Very high | 21 Ų | 21 | 35.6 Ų | 35.6 | 13% | 0.127 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.8 | -41.5 | 177.5 | 173 | 0 | 0 | 0 | 0 | 110.9 | T56 E67 L68 M69 L73 A74 I75 | T56-V71 HydrophobicContact CG2-CB 4.48Å; T56-V71 HydrophobicContact CG2-CG1 4.23Å; T56-V71 HydrophobicContact CG2-CG2 3.48Å; T56-V71 VanDerWaalsContact CG2-CG2 3.48Å; T56-V71 VanDerWaalsContact OG1-CG2 3.31Å; T56-V71 WeakPolarHBondContact OG1-CG2 3.39Å; E67-V71 WeakPolarHBondContact O-CG2 3.4Å; E67-V71 PolarHBondContact O-N 2.9Å; L68-V71 PolarHBondContact O-N 3.43Å; M69-V71 VanDerWaalsContact C-N 3.34Å; V71-L73 VanDerWaalsContact C-N 3.34Å; V71-L73 PolarHBondContact O-N 3.19Å; V71-A74 PolarHBondContact O-N 3.35Å; V71-I75 HydrophobicContact CG1-CD1 4.03Å; V71-I75 VanDerWaalsContact O-CG1 3.31Å; V71-I75 WeakPolarHBondContact O-CG1 3.22Å; V71-I75 PolarHBondContact O-N 2.98Å |
| 72 | N | 96.4 | Very high | 92.1 | Very high | 8 Ų | 8 | 35.1 Ų | 35.1 | 4% | 0.043 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.1 | -44.8 | 175.9 | -171.1 | 66.2 | 0 | 0 | 0 | 112.2 | L68 M69 I70 A74 I75 F76 T121 L151 W155 | L68-N72 WeakPolarHBondContact O-CB 3.46Å; L68-N72 PolarHBondContact O-N 3.48Å; M69-N72 PolarHBondContact O-N 2.75Å; I70-N72 VanDerWaalsContact C-N 3.34Å; N72-A74 VanDerWaalsContact C-N 3.34Å; N72-A74 PolarHBondContact O-N 3.16Å; N72-I75 WeakPolarHBondContact O-CB 3.32Å; N72-I75 PolarHBondContact O-N 3.46Å; N72-F76 WeakPolarHBondContact ND2-CE2 3.49Å; N72-F76 WeakPolarHBondContact O-CD2 3.37Å; N72-F76 PolarHBondContact O-N 3.22Å; N72-F76 VanDerWaalsContact O-N 3.08Å; N72-T121 HydrophobicContact CB-CG2 4.47Å; N72-T121 PolarHBondContact ND2-OG1 3.17Å; N72-L151 HydrophobicContact CB-CD2 3.49Å; N72-L151 VanDerWaalsContact CB-CD2 3.49Å; N72-W155 PolarHBondContact OD1-NE1 3.37Å |
| 73 | L | 95.4 | Very high | 92.6 | Very high | 10 Ų | 10 | 28.1 Ų | 28.1 | 5% | 0.052 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.3 | -44.9 | 174.7 | -176.1 | 61.1 | 0 | 0 | 0 | 111.4 | M69 I70 V71 I75 F76 D77 T121 M122 I255 | M69-L73 PolarHBondContact O-N 3.11Å; I70-L73 PolarHBondContact O-N 3.36Å; V71-L73 VanDerWaalsContact C-N 3.34Å; V71-L73 PolarHBondContact O-N 3.19Å; L73-I75 VanDerWaalsContact C-N 3.28Å; L73-I75 PolarHBondContact O-N 2.9Å; L73-F76 PolarHBondContact O-N 3.48Å; L73-D77 PolarHBondContact O-N 3.04Å; L73-T121 HydrophobicContact CB-CG2 4.02Å; L73-M122 HydrophobicContact CD1-CE 3.78Å; L73-M122 HydrophobicContact CD1-CG 4.33Å; L73-M122 HydrophobicContact CD2-CE 4.1Å; L73-M122 HydrophobicContact CD2-CG 4.46Å; L73-I255 HydrophobicContact CD2-CG2 3.97Å |
| 74 | A | 95.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.7 | -34.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | N49 V52 I53 I70 V71 N72 F78 | N49-A74 HydrophobicContact CB-CB 4.24Å; V52-A74 HydrophobicContact CB-CB 4.09Å; V52-A74 HydrophobicContact CG1-CB 3.85Å; I53-A74 HydrophobicContact CG1-CB 4.1Å; I70-A74 PolarHBondContact O-N 2.85Å; V71-A74 PolarHBondContact O-N 3.35Å; N72-A74 VanDerWaalsContact C-N 3.34Å; N72-A74 PolarHBondContact O-N 3.16Å; A74-F78 WeakPolarHBondContact O-CB 3.31Å; A74-F78 PolarHBondContact O-N 3.39Å |
| 75 | I | 97.7 | Very high | 93.4 | Very high | 62 Ų | 62 | 23.7 Ų | 23.7 | 32% | 0.318 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -64.9 | -46.9 | 174.6 | -69.6 | 164 | 0 | 0 | 0 | 110.6 | I53 V71 N72 L73 F78 G79 W155 | I53-I75 HydrophobicContact CD1-CG1 3.98Å; I53-I75 HydrophobicContact CG1-CG1 4.19Å; V71-I75 HydrophobicContact CG1-CD1 4.03Å; V71-I75 VanDerWaalsContact O-CG1 3.31Å; V71-I75 WeakPolarHBondContact O-CG1 3.22Å; V71-I75 PolarHBondContact O-N 2.98Å; N72-I75 WeakPolarHBondContact O-CB 3.32Å; N72-I75 PolarHBondContact O-N 3.46Å; L73-I75 VanDerWaalsContact C-N 3.28Å; L73-I75 PolarHBondContact O-N 2.9Å; I75-F78 PolarHBondContact O-N 3.49Å; I75-G79 PolarHBondContact O-N 3.37Å; I75-W155 HydrophobicContact CG2-CH2 4.06Å; I75-W155 HydrophobicContact CG2-CZ2 3.82Å |
| 76 | F | 97.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.6 | -44.9 | 178.5 | -76.9 | -66.9 | 0 | 0 | 0 | 111.9 | N72 L73 G79 I80 F113 F114 S118 V154 W155 | N72-F76 WeakPolarHBondContact ND2-CE2 3.49Å; N72-F76 WeakPolarHBondContact O-CD2 3.37Å; N72-F76 PolarHBondContact O-N 3.22Å; N72-F76 VanDerWaalsContact O-N 3.08Å; L73-F76 PolarHBondContact O-N 3.48Å; F76-G79 PolarHBondContact O-N 3Å; F76-I80 PolarHBondContact O-N 3.12Å; F76-F113 HydrophobicContact CD1-CE1 4.39Å; F76-F113 HydrophobicContact CE1-CD1 4.46Å; F76-F113 AromaticContact CE1-CE1 3.84Å; F76-F113 HydrophobicContact CE1-CE1 3.84Å; F76-F113 AromaticContact CE1-CZ 3.94Å; F76-F113 HydrophobicContact CE1-CZ 3.94Å; F76-F114 HydrophobicContact CB-CD1 4.44Å; F76-F114 AromaticContact CD1-CD1 3.76Å; F76-F114 HydrophobicContact CD1-CD1 3.76Å; F76-F114 HydrophobicContact CD1-CE1 4.49Å; F76-F114 WeakPolarHBondContact O-CD1 3.48Å; F76-S118 VanDerWaalsContact CB-OG 3.26Å; F76-S118 WeakPolarHBondContact CB-OG 3.49Å; F76-V154 HydrophobicContact CE2-CG1 3.63Å; F76-V154 HydrophobicContact CZ-CG1 3.95Å; F76-W155 HydrophobicContact CE1-CD2 4.38Å; F76-W155 HydrophobicContact CE1-CH2 4.41Å; F76-W155 HydrophobicContact CE1-CZ2 4.26Å; F76-W155 HydrophobicContact CE2-CZ2 4.44Å; F76-W155 AromaticContact CE2-NE1 3.84Å; F76-W155 AromaticContact CZ-CD1 3.98Å; F76-W155 AromaticContact CZ-CD2 3.86Å; F76-W155 HydrophobicContact CZ-CD2 3.86Å; F76-W155 AromaticContact CZ-CE2 3.64Å; F76-W155 HydrophobicContact CZ-CE3 4.45Å; F76-W155 HydrophobicContact CZ-CG 4.08Å; F76-W155 HydrophobicContact CZ-CZ2 4.04Å; F76-W155 AromaticContact CZ-NE1 3.73Å |
| 77 | D | 96.6 | Very high | 94.6 | Very high | 4 Ų | 4 | 26.5 Ų | 26.5 | 2% | 0.021 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -69.5 | -33.6 | 179.8 | -68.8 | -19.2 | 0 | 0 | 0 | 113.4 | N49 L73 I80 S81 S118 A297 N300 | N49-D77 HydrophobicContact CB-CB 4.46Å; N49-D77 WeakPolarHBondContact ND2-CB 3.41Å; L73-D77 PolarHBondContact O-N 3.04Å; D77-I80 VanDerWaalsContact O-CG2 3.27Å; D77-I80 WeakPolarHBondContact O-CG2 3.31Å; D77-S81 WeakPolarHBondContact O-CB 3.44Å; D77-S81 PolarHBondContact O-N 3.3Å; D77-S81 PolarHBondContact O-OG 2.96Å; D77-S118 PolarHBondContact OD1-OG 3.48Å; D77-A297 HydrophobicContact CB-CB 3.96Å; D77-N300 PolarHBondContact OD2-ND2 3.35Å |
| 78 | F | 97 | Very high | 95.1 | Very high | 77 Ų | 77 | 25.5 Ų | 25.5 | 34% | 0.338 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -67.6 | -44.3 | 171.5 | -178.8 | -98.3 | 0 | 0 | 0 | 110.7 | A46 N49 I53 A74 I75 S81 V82 | A46-F78 HydrophobicContact CB-CD2 4.46Å; A46-F78 HydrophobicContact CB-CE2 4.35Å; A46-F78 WeakPolarHBondContact O-CD2 3.46Å; A46-F78 WeakPolarHBondContact O-CE2 3.32Å; N49-F78 HydrophobicContact CB-CB 4.07Å; I53-F78 HydrophobicContact CD1-CB 3.89Å; I53-F78 HydrophobicContact CD1-CD1 4.43Å; I53-F78 HydrophobicContact CD1-CG 4.12Å; A74-F78 WeakPolarHBondContact O-CB 3.31Å; A74-F78 PolarHBondContact O-N 3.39Å; I75-F78 PolarHBondContact O-N 3.49Å; F78-S81 WeakPolarHBondContact O-CB 3.37Å; F78-S81 PolarHBondContact O-N 3.03Å; F78-S81 VanDerWaalsContact O-N 3.14Å; F78-V82 HydrophobicContact CD1-CG2 4.19Å; F78-V82 HydrophobicContact CD2-CG2 4.36Å; F78-V82 HydrophobicContact CE1-CG2 3.75Å; F78-V82 HydrophobicContact CE2-CG2 3.93Å; F78-V82 HydrophobicContact CG-CG2 4.49Å; F78-V82 HydrophobicContact CZ-CG2 3.6Å; F78-V82 WeakPolarHBondContact O-CG2 3.27Å; F78-V82 PolarHBondContact O-N 2.94Å |
| 79 | G | 96.8 | Very high | 95.4 | Very high | 10 Ų | 10 | 25.5 Ų | 25.5 | 10% | 0.103 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -54.2 | -57 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | I75 F76 S81 V82 T83 | I75-G79 PolarHBondContact O-N 3.37Å; F76-G79 PolarHBondContact O-N 3Å; G79-S81 PolarHBondContact O-N 2.86Å; G79-V82 PolarHBondContact O-N 3.36Å; G79-V82 VanDerWaalsContact O-N 3.12Å; G79-T83 PolarHBondContact O-N 3.19Å; G79-T83 PolarHBondContact O-OG1 3.37Å |
| 80 | I | 94.7 | Very high | 95.7 | Very high | 29 Ų | 29 | 28.3 Ų | 28.3 | 15% | 0.149 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60 | -30.9 | 178.6 | -164.9 | 163.9 | 0 | 0 | 0 | 112.9 | F76 D77 G84 K85 F114 A297 | F76-I80 PolarHBondContact O-N 3.12Å; D77-I80 VanDerWaalsContact O-CG2 3.27Å; D77-I80 WeakPolarHBondContact O-CG2 3.31Å; I80-G84 WeakPolarHBondContact O-CA 3.42Å; I80-G84 PolarHBondContact O-N 3.5Å; I80-K85 PolarHBondContact O-N 3.16Å; I80-F114 HydrophobicContact CB-CB 3.66Å; I80-F114 HydrophobicContact CB-CD2 4.21Å; I80-F114 HydrophobicContact CB-CG 4.12Å; I80-F114 HydrophobicContact CD1-CB 4.35Å; I80-F114 HydrophobicContact CG1-CB 4.34Å; I80-A297 HydrophobicContact CG2-CB 4.04Å |
| 81 | S | 95.8 | Very high | 96 | Very high | 5 Ų | 5 | 25.9 Ų | 25.9 | 4% | 0.035 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -73 | -34.2 | 179.6 | -63.8 | 0 | 0 | 0 | 0 | 113 | S45 D77 F78 G79 K85 P86 | S45-S81 VanDerWaalsContact CB-OG 3.29Å; S45-S81 WeakPolarHBondContact CB-OG 3.48Å; S45-S81 PolarHBondContact OG-OG 2.7Å; D77-S81 WeakPolarHBondContact O-CB 3.44Å; D77-S81 PolarHBondContact O-N 3.3Å; D77-S81 PolarHBondContact O-OG 2.96Å; F78-S81 WeakPolarHBondContact O-CB 3.37Å; F78-S81 PolarHBondContact O-N 3.03Å; F78-S81 VanDerWaalsContact O-N 3.14Å; G79-S81 PolarHBondContact O-N 2.86Å; S81-K85 WeakPolarHBondContact OG-CE 3.22Å; S81-P86 WeakPolarHBondContact O-CD 3.49Å |
| 82 | V | 95.7 | Very high | 96.2 | Very high | 72 Ų | 72 | 25 Ų | 25 | 44% | 0.436 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -86.4 | -38.5 | 179.5 | 175.2 | 0 | 0 | 0 | 0 | 111.8 | F78 G79 P86 | F78-V82 HydrophobicContact CD1-CG2 4.19Å; F78-V82 HydrophobicContact CD2-CG2 4.36Å; F78-V82 HydrophobicContact CE1-CG2 3.75Å; F78-V82 HydrophobicContact CE2-CG2 3.93Å; F78-V82 HydrophobicContact CG-CG2 4.49Å; F78-V82 HydrophobicContact CZ-CG2 3.6Å; F78-V82 WeakPolarHBondContact O-CG2 3.27Å; F78-V82 PolarHBondContact O-N 2.94Å; G79-V82 PolarHBondContact O-N 3.36Å; G79-V82 VanDerWaalsContact O-N 3.12Å; V82-P86 WeakPolarHBondContact O-CD 3.5Å; V82-P86 WeakPolarHBondContact O-CG 3.34Å |
| 83 | T | 93.8 | Very high | 96.2 | Very high | 34 Ų | 34 | 29.3 Ų | 29.3 | 21% | 0.209 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -93.3 | -27.5 | -174.6 | 65.5 | 0 | 0 | 0 | 0 | 113.8 | G79 F87 F114 | G79-T83 PolarHBondContact O-N 3.19Å; G79-T83 PolarHBondContact O-OG1 3.37Å; T83-F87 VanDerWaalsContact O-CD2 3.25Å; T83-F87 WeakPolarHBondContact O-CD2 3.43Å; T83-F114 HydrophobicContact CG2-CE2 4.26Å; T83-F114 WeakPolarHBondContact OG1-CE2 3.32Å |
| 84 | G | 92.4 | Very high | 96.3 | Very high | 6 Ų | 6 | 31.6 Ų | 31.6 | 6% | 0.062 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | -58.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | I80 F87 F88 Y107 | I80-G84 WeakPolarHBondContact O-CA 3.42Å; I80-G84 PolarHBondContact O-N 3.5Å; G84-F87 PolarHBondContact O-N 2.97Å; G84-F88 PolarHBondContact O-N 3.48Å; G84-Y107 WeakPolarHBondContact O-CE2 3.34Å |
| 85 | K | 94.6 | Very high | 96.3 | Very high | 12 Ų | 12 | 34 Ų | 34 | 5% | 0.052 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.6 | -40.6 | -167.1 | -59.5 | 177.4 | -176.1 | -71.6 | 0 | 114.9 | I38 I80 S81 F87 F88 V89 K294 | I38-K85 HydrophobicContact CG2-CB 3.86Å; I38-K85 HydrophobicContact CG2-CG 4.04Å; I80-K85 PolarHBondContact O-N 3.16Å; S81-K85 WeakPolarHBondContact OG-CE 3.22Å; K85-F87 VanDerWaalsContact C-N 3.31Å; K85-F87 PolarHBondContact O-N 2.98Å; K85-F88 PolarHBondContact O-N 3.1Å; K85-V89 WeakPolarHBondContact O-CG2 3.32Å; K85-V89 PolarHBondContact O-N 3.46Å; K85-K294 PolarHBondContact NZ-O 3.02Å |
| 86 | P | 96.8 | Very high | 96.2 | Very high | 61 Ų | 61 | 35.9 Ų | 35.9 | 40% | 0.396 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -59.8 | -39.1 | 178.5 | -26.7 | 37.3 | 0 | 0 | 0 | 113.5 | S81 V82 F88 V89 V90 | S81-P86 WeakPolarHBondContact O-CD 3.49Å; V82-P86 WeakPolarHBondContact O-CD 3.5Å; V82-P86 WeakPolarHBondContact O-CG 3.34Å; P86-F88 PolarHBondContact O-N 2.95Å; P86-V89 PolarHBondContact O-N 2.69Å; P86-V90 WeakPolarHBondContact O-CB 3.29Å; P86-V90 WeakPolarHBondContact O-CG2 3.2Å; P86-V90 PolarHBondContact O-N 2.87Å |
| 87 | F | 97.1 | Very high | 96.1 | Very high | 49 Ų | 49 | 36.1 Ų | 36.1 | 22% | 0.215 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.3 | -43.3 | 179.5 | -76 | -117.4 | 0 | 0 | 0 | 111.3 | T83 G84 K85 S91 W97 F99 F106 Y107 | T83-F87 VanDerWaalsContact O-CD2 3.25Å; T83-F87 WeakPolarHBondContact O-CD2 3.43Å; G84-F87 PolarHBondContact O-N 2.97Å; K85-F87 VanDerWaalsContact C-N 3.31Å; K85-F87 PolarHBondContact O-N 2.98Å; F87-S91 VanDerWaalsContact O-CB 3.29Å; F87-S91 WeakPolarHBondContact O-CB 3.19Å; F87-S91 PolarHBondContact O-N 3.44Å; F87-S91 VanDerWaalsContact O-N 3.07Å; F87-S91 PolarHBondContact O-OG 2.96Å; F87-W97 HydrophobicContact CB-CH2 3.91Å; F87-W97 HydrophobicContact CB-CZ3 4.18Å; F87-W97 AromaticContact CD1-CH2 3.98Å; F87-W97 HydrophobicContact CD1-CH2 3.98Å; F87-W97 HydrophobicContact CD1-CZ2 4.3Å; F87-W97 HydrophobicContact CG-CH2 4.44Å; F87-F99 HydrophobicContact CB-CD2 4.29Å; F87-F99 HydrophobicContact CB-CE2 3.88Å; F87-F99 HydrophobicContact CB-CZ 4.41Å; F87-F99 HydrophobicContact CD1-CB 4.3Å; F87-F99 AromaticContact CD1-CD1 3.87Å; F87-F99 HydrophobicContact CD1-CD1 3.87Å; F87-F99 AromaticContact CD1-CD2 3.48Å; F87-F99 HydrophobicContact CD1-CD2 3.48Å; F87-F99 VanDerWaalsContact CD1-CD2 3.48Å; F87-F99 HydrophobicContact CD1-CE1 4Å; F87-F99 AromaticContact CD1-CE2 3.64Å; F87-F99 HydrophobicContact CD1-CE2 3.64Å; F87-F99 AromaticContact CD1-CG 3.6Å; F87-F99 HydrophobicContact CD1-CG 3.6Å; F87-F99 AromaticContact CD1-CZ 3.89Å; F87-F99 HydrophobicContact CD1-CZ 3.89Å; F87-F99 HydrophobicContact CE1-CB 4.35Å; F87-F99 AromaticContact CE1-CD1 3.74Å; F87-F99 HydrophobicContact CE1-CD1 3.74Å; F87-F99 HydrophobicContact CE1-CD2 4.19Å; F87-F99 HydrophobicContact CE1-CE1 4.03Å; F87-F99 HydrophobicContact CE1-CE2 4.45Å; F87-F99 AromaticContact CE1-CG 3.82Å; F87-F99 HydrophobicContact CE1-CG 3.82Å; F87-F99 HydrophobicContact CE1-CZ 4.37Å; F87-F99 HydrophobicContact CG-CD2 4.22Å; F87-F99 AromaticContact CG-CE2 3.96Å; F87-F99 HydrophobicContact CG-CE2 3.96Å; F87-F99 HydrophobicContact CG-CZ 4.14Å; F87-F106 HydrophobicContact CZ-CD1 4.4Å; F87-F106 HydrophobicContact CZ-CE1 4.31Å; F87-Y107 HydrophobicContact CB-CD2 3.7Å; F87-Y107 HydrophobicContact CB-CE2 4.01Å; F87-Y107 HydrophobicContact CG-CD2 4.31Å |
| 88 | F | 96.6 | Very high | 96.1 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 0% | 0.004 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.4 | -49.8 | 175.1 | -179.9 | -91.2 | 0 | 0 | 0 | 111.2 | A34 I38 G84 K85 P86 V90 S91 S92 Y107 F177 L291 | A34-F88 HydrophobicContact CB-CE1 4.07Å; A34-F88 HydrophobicContact CB-CZ 4.05Å; I38-F88 HydrophobicContact CB-CD1 3.77Å; I38-F88 HydrophobicContact CB-CE1 4.01Å; I38-F88 HydrophobicContact CG1-CD1 3.66Å; I38-F88 HydrophobicContact CG1-CE1 3.52Å; I38-F88 HydrophobicContact CG1-CZ 4.41Å; I38-F88 HydrophobicContact CG2-CD1 3.81Å; G84-F88 PolarHBondContact O-N 3.48Å; K85-F88 PolarHBondContact O-N 3.1Å; P86-F88 PolarHBondContact O-N 2.95Å; F88-V90 PolarHBondContact O-N 3.5Å; F88-S91 PolarHBondContact O-N 3.33Å; F88-S92 WeakPolarHBondContact CE1-OG 3.46Å; F88-S92 WeakPolarHBondContact CZ-OG 3.27Å; F88-S92 WeakPolarHBondContact O-CB 3.45Å; F88-S92 PolarHBondContact O-N 3.49Å; F88-S92 PolarHBondContact O-OG 3.33Å; F88-Y107 HydrophobicContact CB-CE2 4.36Å; F88-F177 AromaticContact CE2-CE2 3.88Å; F88-F177 HydrophobicContact CE2-CE2 3.88Å; F88-F177 HydrophobicContact CE2-CZ 4.34Å; F88-L291 HydrophobicContact CE1-CD2 3.99Å; F88-L291 HydrophobicContact CZ-CD2 3.68Å |
| 89 | V | 97.5 | Very high | 96.1 | Very high | 17 Ų | 17 | 40.2 Ų | 40.2 | 10% | 0.103 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.8 | -48.1 | -177.5 | 171.3 | 0 | 0 | 0 | 0 | 111.6 | A35 I38 C39 K85 P86 S91 S92 F93 | A35-V89 HydrophobicContact CB-CG1 4.49Å; I38-V89 HydrophobicContact CB-CG2 4.19Å; I38-V89 HydrophobicContact CG2-CG2 3.91Å; C39-V89 HydrophobicContact CB-CG1 4.31Å; C39-V89 HydrophobicContact CB-CG2 4.02Å; K85-V89 WeakPolarHBondContact O-CG2 3.32Å; K85-V89 PolarHBondContact O-N 3.46Å; P86-V89 PolarHBondContact O-N 2.69Å; V89-S91 VanDerWaalsContact C-N 3.34Å; V89-S91 PolarHBondContact O-N 2.95Å; V89-S92 PolarHBondContact O-N 3.37Å; V89-F93 HydrophobicContact CG1-CD2 3.73Å; V89-F93 HydrophobicContact CG1-CE2 3.51Å; V89-F93 VanDerWaalsContact O-CD2 3.25Å; V89-F93 WeakPolarHBondContact O-CD2 3.4Å; V89-F93 PolarHBondContact O-N 3.42Å |
| 90 | V | 97.4 | Very high | 96 | Very high | 66 Ų | 66 | 41.2 Ų | 41.2 | 40% | 0.4 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -64.3 | -41 | 179.6 | 169.9 | 0 | 0 | 0 | 0 | 111.1 | P86 F88 S94 L98 F99 | P86-V90 WeakPolarHBondContact O-CB 3.29Å; P86-V90 WeakPolarHBondContact O-CG2 3.2Å; P86-V90 PolarHBondContact O-N 2.87Å; F88-V90 PolarHBondContact O-N 3.5Å; V90-S94 WeakPolarHBondContact O-CB 3.3Å; V90-S94 PolarHBondContact O-N 2.88Å; V90-S94 VanDerWaalsContact O-N 3.12Å; V90-S94 PolarHBondContact O-OG 2.86Å; V90-L98 HydrophobicContact CG1-CD1 3.94Å; V90-F99 HydrophobicContact CB-CZ 4.38Å; V90-F99 HydrophobicContact CG1-CZ 4.17Å |
| 91 | S | 97.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67.7 | -41.9 | 178.5 | -59.3 | 0 | 0 | 0 | 0 | 112.4 | F87 F88 V89 S94 H95 R96 W97 T179 | F87-S91 VanDerWaalsContact O-CB 3.29Å; F87-S91 WeakPolarHBondContact O-CB 3.19Å; F87-S91 PolarHBondContact O-N 3.44Å; F87-S91 VanDerWaalsContact O-N 3.07Å; F87-S91 PolarHBondContact O-OG 2.96Å; F88-S91 PolarHBondContact O-N 3.33Å; V89-S91 VanDerWaalsContact C-N 3.34Å; V89-S91 PolarHBondContact O-N 2.95Å; S91-S94 CarbonylContact O-C 3.48Å; S91-S94 PolarHBondContact O-N 3.37Å; S91-H95 PolarHBondContact O-N 3.24Å; S91-R96 CarbonylContact C-O 3.55Å; S91-R96 WeakPolarHBondContact CA-O 3.42Å; S91-R96 WeakPolarHBondContact CB-O 3.19Å; S91-R96 PolarHBondContact O-N 3.16Å; S91-W97 VanDerWaalsContact OG-CE3 3.22Å; S91-T179 WeakPolarHBondContact CB-O 3.41Å |
| 92 | S | 96.7 | Very high | 95.9 | Very high | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.014 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.9 | -45 | 176.4 | -67 | 0 | 0 | 0 | 0 | 112 | D31 F88 V89 S94 H95 | D31-S92 WeakPolarHBondContact CB-O 3.42Å; F88-S92 WeakPolarHBondContact CE1-OG 3.46Å; F88-S92 WeakPolarHBondContact CZ-OG 3.27Å; F88-S92 WeakPolarHBondContact O-CB 3.45Å; F88-S92 PolarHBondContact O-N 3.49Å; F88-S92 PolarHBondContact O-OG 3.33Å; V89-S92 PolarHBondContact O-N 3.37Å; S92-S94 PolarHBondContact O-N 3.45Å; S92-H95 PolarHBondContact O-N 3.13Å |
| 93 | F | 97.4 | Very high | 95.9 | Very high | 99 Ų | 99 | 47.1 Ų | 47.1 | 43% | 0.434 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.7 | -30.1 | 174.5 | -77.6 | -52.8 | 0 | 0 | 0 | 113.3 | I32 A35 F36 V89 H95 | I32-F93 HydrophobicContact CG1-CD1 4.48Å; I32-F93 HydrophobicContact CG2-CE1 4.47Å; A35-F93 HydrophobicContact CB-CD1 3.98Å; A35-F93 HydrophobicContact CB-CD2 3.99Å; A35-F93 HydrophobicContact CB-CE1 3.77Å; A35-F93 HydrophobicContact CB-CE2 3.8Å; A35-F93 HydrophobicContact CB-CG 4.07Å; A35-F93 HydrophobicContact CB-CZ 3.68Å; F36-F93 HydrophobicContact CD2-CE1 4.29Å; F36-F93 HydrophobicContact CD2-CZ 4.37Å; F36-F93 HydrophobicContact CE1-CZ 4.4Å; F36-F93 HydrophobicContact CE2-CE1 4Å; F36-F93 HydrophobicContact CE2-CZ 4.22Å; F36-F93 HydrophobicContact CZ-CE1 4.33Å; F36-F93 HydrophobicContact CZ-CZ 4.23Å; V89-F93 HydrophobicContact CG1-CD2 3.73Å; V89-F93 HydrophobicContact CG1-CE2 3.51Å; V89-F93 VanDerWaalsContact O-CD2 3.25Å; V89-F93 WeakPolarHBondContact O-CD2 3.4Å; V89-F93 PolarHBondContact O-N 3.42Å; F93-H95 VanDerWaalsContact C-N 3.28Å |
| 94 | S | 96.4 | Very high | 96.1 | Very high | 57 Ų | 57 | 45.5 Ų | 45.5 | 40% | 0.399 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -2.6 | 177.9 | -52.5 | 0 | 0 | 0 | 0 | 113 | V90 S91 S92 R96 L98 | V90-S94 WeakPolarHBondContact O-CB 3.3Å; V90-S94 PolarHBondContact O-N 2.88Å; V90-S94 VanDerWaalsContact O-N 3.12Å; V90-S94 PolarHBondContact O-OG 2.86Å; S91-S94 CarbonylContact O-C 3.48Å; S91-S94 PolarHBondContact O-N 3.37Å; S92-S94 PolarHBondContact O-N 3.45Å; S94-R96 PolarHBondContact O-N 3.17Å; S94-R96 VanDerWaalsContact O-N 3.15Å; S94-L98 WeakPolarHBondContact OG-CD1 3.39Å |
| 95 | H | 96.1 | Very high | 96.3 | Very high | 50 Ų | 50 | 47.2 Ų | 47.2 | 23% | 0.231 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55 | 27.4 | -175.8 | -156.7 | 60.5 | 0 | 0 | 0 | 113.4 | S24 L26 D31 S91 S92 F93 | S24-H95 WeakPolarHBondContact CB-O 3.48Å; S24-H95 PolarHBondContact N-O 3.39Å; L26-H95 PolarHBondContact O-CE1 3.38Å; D31-H95 IonicContact OD2-CE1 3.68Å; D31-H95 PolarHBondContact OD2-CE1 2.91Å; D31-H95 VanDerWaalsContact OD2-CE1 3.23Å; D31-H95 IonicContact OD2-CG 3.6Å; D31-H95 IonicContact OD2-ND1 2.97Å; D31-H95 PolarHBondContact OD2-ND1 2.92Å; S91-H95 PolarHBondContact O-N 3.24Å; S92-H95 PolarHBondContact O-N 3.13Å; F93-H95 VanDerWaalsContact C-N 3.28Å |
| 96 | R | 95.2 | Very high | 96.4 | Very high | 103 Ų | 103 | 51 Ų | 51 | 39% | 0.389 | 26% | 0.257 | S | S | . | . | B | Isolated β-bridge | trans | -168.4 | 145 | -173.1 | -170 | -164.9 | 169.3 | 96 | 20.6 | 110.6 | D20 F22 S91 S94 L98 | D20-R96 IonicContact OD1-CZ 3.6Å; D20-R96 IonicContact OD1-NH2 2.91Å; D20-R96 PolarHBondContact OD1-NH2 3Å; D20-R96 IonicContact OD2-CZ 3.45Å; D20-R96 IonicContact OD2-NE 2.88Å; D20-R96 IonicContact OD2-NH1 3.76Å; D20-R96 PolarHBondContact OD2-NH1 3.32Å; D20-R96 IonicContact OD2-NH2 3.29Å; D20-R96 PolarHBondContact OD2-NH2 3.46Å; F22-R96 HydrophobicContact CB-CG 4.35Å; F22-R96 CarbonylContact O-C 3.48Å; F22-R96 WeakPolarHBondContact O-CA 3.47Å; F22-R96 WeakPolarHBondContact O-CG 3.32Å; S91-R96 CarbonylContact C-O 3.55Å; S91-R96 WeakPolarHBondContact CA-O 3.42Å; S91-R96 WeakPolarHBondContact CB-O 3.19Å; S91-R96 PolarHBondContact O-N 3.16Å; S94-R96 PolarHBondContact O-N 3.17Å; S94-R96 VanDerWaalsContact O-N 3.15Å; R96-L98 PolarHBondContact O-N 3.02Å |
| 97 | W | 96.7 | Very high | 96.4 | Very high | 4 Ų | 4 | 48.8 Ų | 48.8 | 2% | 0.015 | 24% | 0.241 | C | C | . | . | trans | -68.4 | 124 | 164.8 | -176.1 | -100.9 | 0 | 0 | 0 | 112.2 | F22 F87 S91 F99 G100 G103 C104 Y107 G178 | F22-W97 HydrophobicContact CB-CB 3.86Å; F22-W97 HydrophobicContact CD1-CB 3.51Å; F22-W97 AromaticContact CD1-CD1 3.37Å; F22-W97 AromaticContact CD1-CG 3.66Å; F22-W97 HydrophobicContact CD1-CG 3.66Å; F22-W97 HydrophobicContact CE1-CB 4.32Å; F22-W97 AromaticContact CE1-CD1 3.32Å; F22-W97 AromaticContact CE1-CG 3.97Å; F22-W97 HydrophobicContact CE1-CG 3.97Å; F22-W97 AromaticContact CE1-NE1 4Å; F22-W97 HydrophobicContact CG-CB 3.97Å; F22-W97 HydrophobicContact CG-CG 4.36Å; F22-W97 AromaticContact CZ-CD1 3.95Å; F22-W97 PolarHBondContact O-N 3.3Å; F87-W97 HydrophobicContact CB-CH2 3.91Å; F87-W97 HydrophobicContact CB-CZ3 4.18Å; F87-W97 AromaticContact CD1-CH2 3.98Å; F87-W97 HydrophobicContact CD1-CH2 3.98Å; F87-W97 HydrophobicContact CD1-CZ2 4.3Å; F87-W97 HydrophobicContact CG-CH2 4.44Å; S91-W97 VanDerWaalsContact OG-CE3 3.22Å; W97-F99 HydrophobicContact CD2-CD2 4.22Å; W97-F99 AromaticContact CE2-CD2 3.92Å; W97-F99 HydrophobicContact CE3-CD2 4.34Å; W97-F99 AromaticContact CH2-CD2 3.91Å; W97-F99 HydrophobicContact CH2-CD2 3.91Å; W97-F99 HydrophobicContact CZ2-CB 3.79Å; W97-F99 AromaticContact CZ2-CD2 3.76Å; W97-F99 HydrophobicContact CZ2-CD2 3.76Å; W97-F99 HydrophobicContact CZ2-CG 4.19Å; W97-F99 HydrophobicContact CZ3-CD2 4.2Å; W97-G100 PolarHBondContact NE1-O 2.92Å; W97-G103 WeakPolarHBondContact CZ2-O 3.33Å; W97-C104 HydrophobicContact CZ2-CB 4.4Å; W97-Y107 HydrophobicContact CH2-CD1 4.41Å; W97-Y107 AromaticContact CH2-CD2 3.67Å; W97-Y107 HydrophobicContact CH2-CD2 3.67Å; W97-Y107 HydrophobicContact CH2-CE2 4.39Å; W97-Y107 AromaticContact CH2-CG 3.66Å; W97-Y107 HydrophobicContact CH2-CG 3.66Å; W97-Y107 HydrophobicContact CZ3-CD2 4.17Å; W97-Y107 HydrophobicContact CZ3-CE2 4.46Å; W97-Y107 HydrophobicContact CZ3-CG 4.32Å; W97-G178 WeakPolarHBondContact CB-O 3.46Å | ||
| 98 | L | 96.3 | Very high | 96.4 | Very high | 93 Ų | 93 | 46.6 Ų | 46.6 | 49% | 0.487 | 23% | 0.233 | S | C | . | . | trans | -99.2 | -15 | -173.6 | -64.2 | -173 | 0 | 0 | 0 | 114.8 | V90 S94 R96 G100 | V90-L98 HydrophobicContact CG1-CD1 3.94Å; S94-L98 WeakPolarHBondContact OG-CD1 3.39Å; R96-L98 PolarHBondContact O-N 3.02Å; L98-G100 PolarHBondContact O-N 3.42Å | ||
| 99 | F | 96.3 | Very high | 96.5 | Very high | 75 Ų | 75 | 49.7 Ų | 49.7 | 33% | 0.329 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -96.3 | 12.4 | -165.9 | -52.8 | -83.4 | 0 | 0 | 0 | 114 | F87 V90 W97 G103 | F87-F99 HydrophobicContact CB-CD2 4.29Å; F87-F99 HydrophobicContact CB-CE2 3.88Å; F87-F99 HydrophobicContact CB-CZ 4.41Å; F87-F99 HydrophobicContact CD1-CB 4.3Å; F87-F99 AromaticContact CD1-CD1 3.87Å; F87-F99 HydrophobicContact CD1-CD1 3.87Å; F87-F99 AromaticContact CD1-CD2 3.48Å; F87-F99 HydrophobicContact CD1-CD2 3.48Å; F87-F99 VanDerWaalsContact CD1-CD2 3.48Å; F87-F99 HydrophobicContact CD1-CE1 4Å; F87-F99 AromaticContact CD1-CE2 3.64Å; F87-F99 HydrophobicContact CD1-CE2 3.64Å; F87-F99 AromaticContact CD1-CG 3.6Å; F87-F99 HydrophobicContact CD1-CG 3.6Å; F87-F99 AromaticContact CD1-CZ 3.89Å; F87-F99 HydrophobicContact CD1-CZ 3.89Å; F87-F99 HydrophobicContact CE1-CB 4.35Å; F87-F99 AromaticContact CE1-CD1 3.74Å; F87-F99 HydrophobicContact CE1-CD1 3.74Å; F87-F99 HydrophobicContact CE1-CD2 4.19Å; F87-F99 HydrophobicContact CE1-CE1 4.03Å; F87-F99 HydrophobicContact CE1-CE2 4.45Å; F87-F99 AromaticContact CE1-CG 3.82Å; F87-F99 HydrophobicContact CE1-CG 3.82Å; F87-F99 HydrophobicContact CE1-CZ 4.37Å; F87-F99 HydrophobicContact CG-CD2 4.22Å; F87-F99 AromaticContact CG-CE2 3.96Å; F87-F99 HydrophobicContact CG-CE2 3.96Å; F87-F99 HydrophobicContact CG-CZ 4.14Å; V90-F99 HydrophobicContact CB-CZ 4.38Å; V90-F99 HydrophobicContact CG1-CZ 4.17Å; W97-F99 HydrophobicContact CD2-CD2 4.22Å; W97-F99 AromaticContact CE2-CD2 3.92Å; W97-F99 HydrophobicContact CE3-CD2 4.34Å; W97-F99 AromaticContact CH2-CD2 3.91Å; W97-F99 HydrophobicContact CH2-CD2 3.91Å; W97-F99 HydrophobicContact CZ2-CB 3.79Å; W97-F99 AromaticContact CZ2-CD2 3.76Å; W97-F99 HydrophobicContact CZ2-CD2 3.76Å; W97-F99 HydrophobicContact CZ2-CG 4.19Å; W97-F99 HydrophobicContact CZ3-CD2 4.2Å; F99-G103 WeakPolarHBondContact O-CA 3.45Å; F99-G103 PolarHBondContact O-N 3Å; F99-G103 VanDerWaalsContact O-N 3.08Å |
| 100 | G | 94.6 | Very high | 96.5 | Very high | 30 Ų | 30 | 48.9 Ų | 48.9 | 31% | 0.309 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | 59.3 | -165.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | W97 L98 C104 | W97-G100 PolarHBondContact NE1-O 2.92Å; L98-G100 PolarHBondContact O-N 3.42Å; G100-C104 WeakPolarHBondContact O-CB 3.48Å; G100-C104 PolarHBondContact O-N 3.28Å; G100-C104 VanDerWaalsContact O-N 3.09Å |
| 101 | W | 93.7 | Very high | 96.5 | Very high | 75 Ų | 75 | 46.7 Ų | 46.7 | 28% | 0.284 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -70.8 | -41.7 | -177.6 | -157.5 | -105.5 | 0 | 0 | 0 | 112.7 | Y15 F22 G103 C104 Q105 H171 A173 P174 | Y15-W101 HydrophobicContact CD2-CH2 4.34Å; Y15-W101 HydrophobicContact CE2-CH2 4.04Å; F22-W101 HydrophobicContact CE1-CE3 4.28Å; F22-W101 HydrophobicContact CE2-CE3 4.27Å; F22-W101 AromaticContact CZ-CE3 3.56Å; F22-W101 HydrophobicContact CZ-CE3 3.56Å; F22-W101 HydrophobicContact CZ-CZ3 4.14Å; W101-G103 PolarHBondContact O-N 2.89Å; W101-C104 WeakPolarHBondContact O-CA 3.35Å; W101-C104 VanDerWaalsContact O-CB 3.25Å; W101-C104 WeakPolarHBondContact O-CB 3.34Å; W101-C104 PolarHBondContact O-N 2.83Å; W101-Q105 VanDerWaalsContact NE1-NE2 3.17Å; W101-Q105 WeakPolarHBondContact O-CG 3.22Å; W101-Q105 PolarHBondContact O-N 3.46Å; W101-H171 AromaticContact CE2-NE2 3.97Å; W101-H171 AromaticContact CZ2-NE2 3.37Å; W101-H171 WeakPolarHBondContact CZ2-NE2 3.37Å; W101-H171 AromaticContact NE1-NE2 3.94Å; W101-A173 HydrophobicContact CH2-CB 4.48Å; W101-P174 HydrophobicContact CH2-CG 4.46Å; W101-P174 HydrophobicContact CZ3-CG 3.92Å |
| 102 | E | 95.4 | Very high | 96.5 | Very high | 143 Ų | 143 | 48.3 Ų | 48.3 | 67% | 0.668 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -59.3 | -45.9 | 177.1 | -58.2 | -53.2 | 134.8 | 0 | 0 | 111.8 | C104 Q105 F106 | E102-C104 VanDerWaalsContact C-N 3.3Å; E102-C104 PolarHBondContact O-N 3.2Å; E102-Q105 PolarHBondContact O-N 2.79Å; E102-F106 WeakPolarHBondContact O-CB 3.21Å; E102-F106 PolarHBondContact O-N 3.02Å |
| 103 | G | 96.4 | Very high | 96.5 | Very high | 12 Ų | 12 | 48.8 Ų | 48.8 | 12% | 0.124 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.9 | -35.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | W97 F99 W101 F106 Y107 | W97-G103 WeakPolarHBondContact CZ2-O 3.33Å; F99-G103 WeakPolarHBondContact O-CA 3.45Å; F99-G103 PolarHBondContact O-N 3Å; F99-G103 VanDerWaalsContact O-N 3.08Å; W101-G103 PolarHBondContact O-N 2.89Å; G103-F106 PolarHBondContact O-N 3.34Å; G103-Y107 WeakPolarHBondContact O-CB 3.09Å; G103-Y107 PolarHBondContact O-N 2.92Å |
| 104 | C | 96.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.4 | -46.5 | 177 | -178.4 | 0 | 0 | 0 | 0 | 111.4 | F22 W97 G100 W101 E102 Y107 G108 C181 | F22-C104 HydrophobicContact CE1-CB 4.18Å; F22-C104 HydrophobicContact CZ-CB 4.46Å; W97-C104 HydrophobicContact CZ2-CB 4.4Å; G100-C104 WeakPolarHBondContact O-CB 3.48Å; G100-C104 PolarHBondContact O-N 3.28Å; G100-C104 VanDerWaalsContact O-N 3.09Å; W101-C104 WeakPolarHBondContact O-CA 3.35Å; W101-C104 VanDerWaalsContact O-CB 3.25Å; W101-C104 WeakPolarHBondContact O-CB 3.34Å; W101-C104 PolarHBondContact O-N 2.83Å; E102-C104 VanDerWaalsContact C-N 3.3Å; E102-C104 PolarHBondContact O-N 3.2Å; C104-Y107 PolarHBondContact O-N 3.36Å; C104-G108 PolarHBondContact O-N 3.32Å; C104-C181 WeakPolarHBondContact CA-SG 3.46Å; C104-C181 HydrophobicContact CB-CB 3.95Å; C104-C181 WeakPolarHBondContact CB-SG 3.46Å; C104-C181 VanDerWaalsContact O-CB 3.3Å; C104-C181 WeakPolarHBondContact O-CB 3.15Å; C104-C181 WeakPolarHBondContact SG-CB 3.32Å; C104-C181 CovalentContact SG-SG 2.01Å; C104-C181 PolarHBondContact SG-SG 2.84Å |
| 105 | Q | 96.5 | Very high | 96.6 | Very high | 42 Ų | 42 | 43 Ų | 43 | 20% | 0.196 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64 | -45.9 | 175.6 | -69.7 | -174 | -13.6 | 0 | 0 | 111.7 | W101 E102 Y107 G108 W109 L166 | W101-Q105 VanDerWaalsContact NE1-NE2 3.17Å; W101-Q105 WeakPolarHBondContact O-CG 3.22Å; W101-Q105 PolarHBondContact O-N 3.46Å; E102-Q105 PolarHBondContact O-N 2.79Å; Q105-Y107 VanDerWaalsContact C-N 3.35Å; Q105-Y107 PolarHBondContact O-N 3.45Å; Q105-G108 PolarHBondContact O-N 2.69Å; Q105-W109 WeakPolarHBondContact O-CB 3.45Å; Q105-W109 PolarHBondContact O-N 2.92Å; Q105-L166 HydrophobicContact CB-CD2 4.08Å |
| 106 | F | 97.5 | Very high | 96.6 | Very high | 93 Ų | 93 | 40.9 Ų | 40.9 | 41% | 0.408 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -60 | -44.4 | 175.3 | 172.9 | -101 | 0 | 0 | 0 | 112 | F87 E102 G103 W109 A110 | F87-F106 HydrophobicContact CZ-CD1 4.4Å; F87-F106 HydrophobicContact CZ-CE1 4.31Å; E102-F106 WeakPolarHBondContact O-CB 3.21Å; E102-F106 PolarHBondContact O-N 3.02Å; G103-F106 PolarHBondContact O-N 3.34Å; F106-W109 PolarHBondContact O-N 2.93Å; F106-A110 HydrophobicContact CZ-CB 4.49Å; F106-A110 VanDerWaalsContact O-CB 3.28Å; F106-A110 WeakPolarHBondContact O-CB 3.36Å; F106-A110 PolarHBondContact O-N 3.11Å |
| 107 | Y | 97.7 | Very high | 96.8 | Very high | 13 Ų | 13 | 36 Ų | 36 | 5% | 0.051 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.3 | -47.8 | 178 | 177.5 | -83.2 | 0 | 0 | 0 | 111.5 | G84 F87 F88 W97 G103 C104 Q105 A110 G111 C181 K294 | G84-Y107 WeakPolarHBondContact O-CE2 3.34Å; F87-Y107 HydrophobicContact CB-CD2 3.7Å; F87-Y107 HydrophobicContact CB-CE2 4.01Å; F87-Y107 HydrophobicContact CG-CD2 4.31Å; F88-Y107 HydrophobicContact CB-CE2 4.36Å; W97-Y107 HydrophobicContact CH2-CD1 4.41Å; W97-Y107 AromaticContact CH2-CD2 3.67Å; W97-Y107 HydrophobicContact CH2-CD2 3.67Å; W97-Y107 HydrophobicContact CH2-CE2 4.39Å; W97-Y107 AromaticContact CH2-CG 3.66Å; W97-Y107 HydrophobicContact CH2-CG 3.66Å; W97-Y107 HydrophobicContact CZ3-CD2 4.17Å; W97-Y107 HydrophobicContact CZ3-CE2 4.46Å; W97-Y107 HydrophobicContact CZ3-CG 4.32Å; G103-Y107 WeakPolarHBondContact O-CB 3.09Å; G103-Y107 PolarHBondContact O-N 2.92Å; C104-Y107 PolarHBondContact O-N 3.36Å; Q105-Y107 VanDerWaalsContact C-N 3.35Å; Q105-Y107 PolarHBondContact O-N 3.45Å; Y107-A110 PolarHBondContact O-N 3.06Å; Y107-G111 PolarHBondContact O-N 3.48Å; Y107-C181 HydrophobicContact CD1-CB 4.06Å; Y107-C181 WeakPolarHBondContact CD1-O 3.44Å; Y107-C181 WeakPolarHBondContact CE1-O 3.05Å; Y107-K294 PolarHBondContact OH-NZ 2.88Å |
| 108 | G | 97.1 | Very high | 96.8 | Very high | 4 Ų | 4 | 35.9 Ų | 35.9 | 4% | 0.041 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.9 | -45 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | C104 Q105 G111 F112 Y172 | C104-G108 PolarHBondContact O-N 3.32Å; Q105-G108 PolarHBondContact O-N 2.69Å; G108-G111 PolarHBondContact O-N 3.15Å; G108-F112 WeakPolarHBondContact O-CB 3.2Å; G108-F112 PolarHBondContact O-N 3.45Å; G108-Y172 VanDerWaalsContact O-CE1 3.29Å; G108-Y172 WeakPolarHBondContact O-CE1 3.39Å |
| 109 | W | 97.9 | Very high | 96.9 | Very high | 65 Ų | 65 | 31.9 Ų | 31.9 | 25% | 0.246 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -58.7 | -52.6 | 175.9 | 179.4 | 89.4 | 0 | 0 | 0 | 111.9 | Q105 F106 G111 F112 F113 A162 L166 Y172 | Q105-W109 WeakPolarHBondContact O-CB 3.45Å; Q105-W109 PolarHBondContact O-N 2.92Å; F106-W109 PolarHBondContact O-N 2.93Å; W109-G111 VanDerWaalsContact C-N 3.35Å; W109-G111 PolarHBondContact O-N 3.18Å; W109-F112 PolarHBondContact O-N 3.08Å; W109-F113 HydrophobicContact CH2-CB 4.49Å; W109-F113 HydrophobicContact CH2-CD1 4.31Å; W109-F113 HydrophobicContact CH2-CG 4.18Å; W109-F113 HydrophobicContact CZ2-CB 4.43Å; W109-F113 HydrophobicContact CZ2-CD2 4.29Å; W109-F113 HydrophobicContact CZ2-CG 4.26Å; W109-F113 WeakPolarHBondContact O-CB 3.26Å; W109-F113 PolarHBondContact O-N 3.16Å; W109-A162 HydrophobicContact CG-CB 4.48Å; W109-L166 HydrophobicContact CB-CD1 4.38Å; W109-L166 VanDerWaalsContact CD1-CD1 3.43Å; W109-L166 HydrophobicContact CG-CD1 4.03Å; W109-Y172 WeakPolarHBondContact CA-OH 3.38Å; W109-Y172 HydrophobicContact CB-CE2 3.92Å |
| 110 | A | 97.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.1 | -45.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | F106 Y107 F112 F113 F114 | F106-A110 HydrophobicContact CZ-CB 4.49Å; F106-A110 VanDerWaalsContact O-CB 3.28Å; F106-A110 WeakPolarHBondContact O-CB 3.36Å; F106-A110 PolarHBondContact O-N 3.11Å; Y107-A110 PolarHBondContact O-N 3.06Å; A110-F112 VanDerWaalsContact C-N 3.35Å; A110-F112 PolarHBondContact O-N 3.36Å; A110-F113 PolarHBondContact O-N 2.91Å; A110-F114 HydrophobicContact CB-CD2 4.19Å; A110-F114 HydrophobicContact CB-CE2 4.14Å; A110-F114 WeakPolarHBondContact O-CB 3.49Å; A110-F114 WeakPolarHBondContact O-CD2 3.08Å; A110-F114 PolarHBondContact O-N 3.38Å |
| 111 | G | 96.5 | Very high | 97.1 | Very high | 20 Ų | 20 | 27.4 Ų | 27.4 | 21% | 0.206 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -56.9 | -46.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y107 G108 W109 G115 | Y107-G111 PolarHBondContact O-N 3.48Å; G108-G111 PolarHBondContact O-N 3.15Å; W109-G111 VanDerWaalsContact C-N 3.35Å; W109-G111 PolarHBondContact O-N 3.18Å; G111-G115 PolarHBondContact O-N 3.15Å |
| 112 | F | 97.1 | Very high | 97.2 | Very high | 34 Ų | 34 | 24 Ų | 24 | 15% | 0.149 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -72.5 | -41.6 | -179.7 | -168.1 | -147.3 | 0 | 0 | 0 | 112.4 | G108 W109 A110 C116 W161 A162 Y172 L183 F197 I201 C205 | G108-F112 WeakPolarHBondContact O-CB 3.2Å; G108-F112 PolarHBondContact O-N 3.45Å; W109-F112 PolarHBondContact O-N 3.08Å; A110-F112 VanDerWaalsContact C-N 3.35Å; A110-F112 PolarHBondContact O-N 3.36Å; F112-C116 HydrophobicContact CD2-CB 4.48Å; F112-C116 HydrophobicContact CE2-CB 4.43Å; F112-C116 WeakPolarHBondContact O-CB 3.35Å; F112-C116 PolarHBondContact O-N 2.86Å; F112-W161 HydrophobicContact CE1-CB 3.87Å; F112-W161 WeakPolarHBondContact CE1-O 3.19Å; F112-W161 HydrophobicContact CZ-CB 4.09Å; F112-A162 HydrophobicContact CD1-CB 4.34Å; F112-Y172 HydrophobicContact CB-CE1 4.35Å; F112-L183 HydrophobicContact CD1-CD1 4.09Å; F112-L183 HydrophobicContact CD1-CD2 4.17Å; F112-L183 HydrophobicContact CD2-CD1 4.3Å; F112-L183 HydrophobicContact CE1-CD1 4.03Å; F112-L183 HydrophobicContact CE1-CD2 4.5Å; F112-L183 HydrophobicContact CE2-CD1 4.23Å; F112-L183 HydrophobicContact CG-CD1 4.26Å; F112-L183 HydrophobicContact CZ-CD1 4.11Å; F112-F197 HydrophobicContact CE1-CZ 4.37Å; F112-I201 HydrophobicContact CE1-CG2 4.29Å; F112-I201 HydrophobicContact CZ-CB 4.29Å; F112-I201 HydrophobicContact CZ-CG2 3.95Å; F112-C205 HydrophobicContact CZ-CB 4.44Å |
| 113 | F | 98.4 | Very high | 97.3 | Very high | 13 Ų | 13 | 17.6 Ų | 17.6 | 6% | 0.057 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -57.9 | -54.3 | 176.6 | 176.5 | -103.7 | 0 | 0 | 0 | 111.8 | F76 W109 A110 G117 W155 A158 A159 A162 | F76-F113 HydrophobicContact CD1-CE1 4.39Å; F76-F113 HydrophobicContact CE1-CD1 4.46Å; F76-F113 AromaticContact CE1-CE1 3.84Å; F76-F113 HydrophobicContact CE1-CE1 3.84Å; F76-F113 AromaticContact CE1-CZ 3.94Å; F76-F113 HydrophobicContact CE1-CZ 3.94Å; W109-F113 HydrophobicContact CH2-CB 4.49Å; W109-F113 HydrophobicContact CH2-CD1 4.31Å; W109-F113 HydrophobicContact CH2-CG 4.18Å; W109-F113 HydrophobicContact CZ2-CB 4.43Å; W109-F113 HydrophobicContact CZ2-CD2 4.29Å; W109-F113 HydrophobicContact CZ2-CG 4.26Å; W109-F113 WeakPolarHBondContact O-CB 3.26Å; W109-F113 PolarHBondContact O-N 3.16Å; A110-F113 PolarHBondContact O-N 2.91Å; F113-G117 PolarHBondContact O-N 2.98Å; F113-W155 HydrophobicContact CE1-CE3 4.34Å; F113-W155 AromaticContact CE1-CZ3 3.94Å; F113-W155 HydrophobicContact CE1-CZ3 3.94Å; F113-W155 AromaticContact CZ-CE3 3.61Å; F113-W155 HydrophobicContact CZ-CE3 3.61Å; F113-W155 AromaticContact CZ-CZ3 3.65Å; F113-W155 HydrophobicContact CZ-CZ3 3.65Å; F113-A158 HydrophobicContact CD2-CB 3.85Å; F113-A158 HydrophobicContact CE2-CB 3.85Å; F113-A159 HydrophobicContact CD2-CB 4.38Å; F113-A159 HydrophobicContact CE2-CB 3.92Å; F113-A162 HydrophobicContact CB-CB 3.69Å; F113-A162 HydrophobicContact CD2-CB 4.31Å |
| 114 | F | 97.9 | Very high | 97.3 | Very high | 26 Ų | 26 | 18 Ų | 18 | 11% | 0.114 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -69.6 | -39.5 | -178.2 | -68.3 | -64.9 | 0 | 0 | 0 | 112 | F76 I80 T83 A110 G117 S118 | F76-F114 HydrophobicContact CB-CD1 4.44Å; F76-F114 AromaticContact CD1-CD1 3.76Å; F76-F114 HydrophobicContact CD1-CD1 3.76Å; F76-F114 HydrophobicContact CD1-CE1 4.49Å; F76-F114 WeakPolarHBondContact O-CD1 3.48Å; I80-F114 HydrophobicContact CB-CB 3.66Å; I80-F114 HydrophobicContact CB-CD2 4.21Å; I80-F114 HydrophobicContact CB-CG 4.12Å; I80-F114 HydrophobicContact CD1-CB 4.35Å; I80-F114 HydrophobicContact CG1-CB 4.34Å; T83-F114 HydrophobicContact CG2-CE2 4.26Å; T83-F114 WeakPolarHBondContact OG1-CE2 3.32Å; A110-F114 HydrophobicContact CB-CD2 4.19Å; A110-F114 HydrophobicContact CB-CE2 4.14Å; A110-F114 WeakPolarHBondContact O-CB 3.49Å; A110-F114 WeakPolarHBondContact O-CD2 3.08Å; A110-F114 PolarHBondContact O-N 3.38Å; F114-G117 PolarHBondContact O-N 2.87Å; F114-S118 PolarHBondContact O-N 3.06Å; F114-S118 PolarHBondContact O-OG 2.88Å |
| 115 | G | 96.2 | Very high | 97.2 | Very high | 8 Ų | 8 | 19.3 Ų | 19.3 | 8% | 0.082 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -63.7 | -46.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | G111 S118 L119 | G111-G115 PolarHBondContact O-N 3.15Å; G115-S118 PolarHBondContact O-N 2.9Å; G115-L119 PolarHBondContact O-N 3.36Å |
| 116 | C | 97.4 | Very high | 97.2 | Very high | 6 Ų | 6 | 17.3 Ų | 17.3 | 4% | 0.041 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -62.9 | -45.3 | 175.7 | -173.7 | 0 | 0 | 0 | 0 | 110.8 | F112 S118 L119 I120 A158 | F112-C116 HydrophobicContact CD2-CB 4.48Å; F112-C116 HydrophobicContact CE2-CB 4.43Å; F112-C116 WeakPolarHBondContact O-CB 3.35Å; F112-C116 PolarHBondContact O-N 2.86Å; C116-S118 PolarHBondContact O-N 3.27Å; C116-L119 PolarHBondContact O-N 3.5Å; C116-I120 WeakPolarHBondContact O-CG1 3.37Å; C116-I120 PolarHBondContact O-N 3.28Å; C116-A158 HydrophobicContact CB-CB 4.33Å |
| 117 | G | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -56.5 | -45.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | F113 F114 T121 | F113-G117 PolarHBondContact O-N 2.98Å; F114-G117 PolarHBondContact O-N 2.87Å; G117-T121 VanDerWaalsContact O-CB 3.31Å; G117-T121 WeakPolarHBondContact O-CB 3.23Å; G117-T121 PolarHBondContact O-N 3.43Å; G117-T121 PolarHBondContact O-OG1 2.92Å |
| 118 | S | 97.5 | Very high | 96.7 | Very high | 1 Ų | 1 | 16.1 Ų | 16.1 | 1% | 0.007 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -62 | -47.2 | 175.1 | -72.9 | 0 | 0 | 0 | 0 | 111.9 | F76 D77 F114 G115 C116 T121 M122 | F76-S118 VanDerWaalsContact CB-OG 3.26Å; F76-S118 WeakPolarHBondContact CB-OG 3.49Å; D77-S118 PolarHBondContact OD1-OG 3.48Å; F114-S118 PolarHBondContact O-N 3.06Å; F114-S118 PolarHBondContact O-OG 2.88Å; G115-S118 PolarHBondContact O-N 2.9Å; C116-S118 PolarHBondContact O-N 3.27Å; S118-T121 WeakPolarHBondContact O-CB 3.32Å; S118-T121 PolarHBondContact O-N 3.2Å; S118-M122 WeakPolarHBondContact O-CG 3.46Å; S118-M122 PolarHBondContact O-N 2.96Å |
| 119 | L | 97.5 | Very high | 96.4 | Very high | 10 Ų | 10 | 16.1 Ų | 16.1 | 5% | 0.052 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -62.5 | -48.5 | 179.8 | 176.9 | 58.6 | 0 | 0 | 0 | 112.5 | G115 C116 T121 M122 T123 C205 P209 I213 F259 | G115-L119 PolarHBondContact O-N 3.36Å; C116-L119 PolarHBondContact O-N 3.5Å; L119-T121 VanDerWaalsContact C-N 3.3Å; L119-T121 PolarHBondContact O-N 3.08Å; L119-M122 WeakPolarHBondContact O-CB 3.14Å; L119-M122 PolarHBondContact O-N 3.42Å; L119-M122 VanDerWaalsContact O-N 3.1Å; L119-T123 PolarHBondContact O-N 3.45Å; L119-T123 PolarHBondContact O-OG1 2.82Å; L119-C205 WeakPolarHBondContact CD2-O 3.37Å; L119-P209 HydrophobicContact CD1-CB 4.19Å; L119-P209 HydrophobicContact CD2-CB 4.03Å; L119-P209 HydrophobicContact CD2-CG 4.43Å; L119-P209 HydrophobicContact CG-CB 3.9Å; L119-I213 HydrophobicContact CD1-CD1 3.88Å; L119-F259 HydrophobicContact CB-CE1 3.9Å; L119-F259 HydrophobicContact CB-CZ 3.93Å; L119-F259 HydrophobicContact CD1-CD1 4.15Å; L119-F259 HydrophobicContact CD1-CE1 3.79Å; L119-F259 HydrophobicContact CD2-CE1 4.42Å; L119-F259 HydrophobicContact CG-CE1 4.24Å |
| 120 | I | 98 | Very high | 96.1 | Very high | 10 Ų | 10 | 14.5 Ų | 14.5 | 5% | 0.051 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -67.5 | -34 | -179.7 | -58.3 | -62 | 0 | 0 | 0 | 110.8 | C116 M122 T123 V124 F153 V154 Y157 P209 | C116-I120 WeakPolarHBondContact O-CG1 3.37Å; C116-I120 PolarHBondContact O-N 3.28Å; I120-M122 VanDerWaalsContact C-N 3.34Å; I120-M122 PolarHBondContact O-N 3.49Å; I120-T123 WeakPolarHBondContact O-CB 3.38Å; I120-T123 PolarHBondContact O-N 3.29Å; I120-V124 WeakPolarHBondContact O-CG2 3.33Å; I120-V124 PolarHBondContact O-N 3.43Å; I120-F153 HydrophobicContact CG2-CE1 4.09Å; I120-V154 HydrophobicContact CB-CG1 4.46Å; I120-V154 HydrophobicContact CG2-CB 4.47Å; I120-V154 HydrophobicContact CG2-CG2 3.94Å; I120-Y157 HydrophobicContact CD1-CD1 4.04Å; I120-Y157 HydrophobicContact CD1-CE1 3.57Å; I120-Y157 HydrophobicContact CG1-CD1 3.66Å; I120-Y157 HydrophobicContact CG1-CE1 3.69Å; I120-P209 HydrophobicContact CD1-CB 4.09Å; I120-P209 HydrophobicContact CD1-CG 3.59Å |
| 121 | T | 97.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -58.8 | -46.9 | 169.8 | -58.8 | 0 | 0 | 0 | 0 | 111 | N72 L73 G117 S118 L119 T123 V124 V125 V154 | N72-T121 HydrophobicContact CB-CG2 4.47Å; N72-T121 PolarHBondContact ND2-OG1 3.17Å; L73-T121 HydrophobicContact CB-CG2 4.02Å; G117-T121 VanDerWaalsContact O-CB 3.31Å; G117-T121 WeakPolarHBondContact O-CB 3.23Å; G117-T121 PolarHBondContact O-N 3.43Å; G117-T121 PolarHBondContact O-OG1 2.92Å; S118-T121 WeakPolarHBondContact O-CB 3.32Å; S118-T121 PolarHBondContact O-N 3.2Å; L119-T121 VanDerWaalsContact C-N 3.3Å; L119-T121 PolarHBondContact O-N 3.08Å; T121-T123 VanDerWaalsContact C-N 3.34Å; T121-T123 PolarHBondContact O-N 3.34Å; T121-V124 PolarHBondContact O-N 3.18Å; T121-V125 VanDerWaalsContact O-CG2 3.31Å; T121-V125 WeakPolarHBondContact O-CG2 3.42Å; T121-V125 PolarHBondContact O-N 3.48Å; T121-V154 WeakPolarHBondContact OG1-CG1 3.32Å |
| 122 | M | 96.8 | Very high | 95.2 | Very high | 4 Ų | 4 | 18.1 Ų | 18.1 | 2% | 0.02 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -60.5 | -43 | 176.8 | -70.9 | -176.6 | -163.7 | 0 | 0 | 111.6 | L73 S118 L119 I120 V124 V125 S126 I213 I255 F259 | L73-M122 HydrophobicContact CD1-CE 3.78Å; L73-M122 HydrophobicContact CD1-CG 4.33Å; L73-M122 HydrophobicContact CD2-CE 4.1Å; L73-M122 HydrophobicContact CD2-CG 4.46Å; S118-M122 WeakPolarHBondContact O-CG 3.46Å; S118-M122 PolarHBondContact O-N 2.96Å; L119-M122 WeakPolarHBondContact O-CB 3.14Å; L119-M122 PolarHBondContact O-N 3.42Å; L119-M122 VanDerWaalsContact O-N 3.1Å; I120-M122 VanDerWaalsContact C-N 3.34Å; I120-M122 PolarHBondContact O-N 3.49Å; M122-V124 PolarHBondContact O-N 3.43Å; M122-V125 PolarHBondContact O-N 2.96Å; M122-S126 PolarHBondContact O-N 2.96Å; M122-S126 PolarHBondContact O-OG 2.83Å; M122-I213 HydrophobicContact CB-CD1 4.12Å; M122-I255 HydrophobicContact CE-CG2 3.49Å; M122-I255 VanDerWaalsContact CE-CG2 3.49Å; M122-I255 HydrophobicContact CG-CG2 4.28Å; M122-I255 HydrophobicContact SD-CG2 3.88Å; M122-F259 HydrophobicContact CE-CB 3.8Å; M122-F259 HydrophobicContact CE-CD2 3.64Å; M122-F259 HydrophobicContact CE-CE2 4.46Å; M122-F259 HydrophobicContact CE-CG 3.88Å; M122-F259 HydrophobicContact SD-CB 3.62Å; M122-F259 HydrophobicContact SD-CD1 4.36Å; M122-F259 HydrophobicContact SD-CD2 4.13Å; M122-F259 HydrophobicContact SD-CG 3.79Å |
| 123 | T | 97.7 | Very high | 94.7 | Very high | 9 Ų | 9 | 17 Ų | 17 | 6% | 0.055 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -58 | -47.8 | 175.7 | -59 | 0 | 0 | 0 | 0 | 112.3 | L119 I120 T121 V125 S126 L127 P209 I212 | L119-T123 PolarHBondContact O-N 3.45Å; L119-T123 PolarHBondContact O-OG1 2.82Å; I120-T123 WeakPolarHBondContact O-CB 3.38Å; I120-T123 PolarHBondContact O-N 3.29Å; T121-T123 VanDerWaalsContact C-N 3.34Å; T121-T123 PolarHBondContact O-N 3.34Å; T123-V125 VanDerWaalsContact C-N 3.33Å; T123-V125 PolarHBondContact O-N 3.45Å; T123-S126 PolarHBondContact O-N 2.84Å; T123-L127 PolarHBondContact O-N 2.87Å; T123-P209 WeakPolarHBondContact OG1-CB 3.35Å; T123-P209 PolarHBondContact OG1-O 2.95Å; T123-I212 HydrophobicContact CG2-CB 3.83Å; T123-I212 HydrophobicContact CG2-CD1 3.98Å; T123-I212 HydrophobicContact CG2-CG2 3.56Å |
| 124 | V | 95.9 | Very high | 94.2 | Very high | 21 Ų | 21 | 17.2 Ų | 17.2 | 13% | 0.127 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -62.4 | -41.8 | 176.9 | 172.4 | 0 | 0 | 0 | 0 | 111 | M69 I120 T121 M122 L127 D128 C150 V154 | M69-V124 HydrophobicContact CE-CG1 3.69Å; M69-V124 HydrophobicContact SD-CG1 4.16Å; I120-V124 WeakPolarHBondContact O-CG2 3.33Å; I120-V124 PolarHBondContact O-N 3.43Å; T121-V124 PolarHBondContact O-N 3.18Å; M122-V124 PolarHBondContact O-N 3.43Å; V124-L127 PolarHBondContact O-N 3.35Å; V124-D128 PolarHBondContact O-N 2.81Å; V124-C150 HydrophobicContact CG1-CB 3.97Å; V124-V154 HydrophobicContact CG2-CG2 4.21Å |
| 125 | V | 94.4 | Very high | 93.5 | Very high | 27 Ų | 27 | 19.5 Ų | 19.5 | 16% | 0.164 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -61.1 | -47.4 | 175.7 | 170.2 | 0 | 0 | 0 | 0 | 110.7 | M69 T121 M122 T123 L127 D128 R129 A252 | M69-V125 HydrophobicContact CB-CG2 3.59Å; M69-V125 HydrophobicContact CG-CG2 4.13Å; T121-V125 VanDerWaalsContact O-CG2 3.31Å; T121-V125 WeakPolarHBondContact O-CG2 3.42Å; T121-V125 PolarHBondContact O-N 3.48Å; M122-V125 PolarHBondContact O-N 2.96Å; T123-V125 VanDerWaalsContact C-N 3.33Å; T123-V125 PolarHBondContact O-N 3.45Å; V125-L127 VanDerWaalsContact C-N 3.33Å; V125-L127 PolarHBondContact O-N 3.36Å; V125-D128 PolarHBondContact O-N 3.41Å; V125-R129 HydrophobicContact CG1-CG 4.3Å; V125-R129 VanDerWaalsContact O-CG 3.27Å; V125-R129 WeakPolarHBondContact O-CG 3.24Å; V125-R129 PolarHBondContact O-N 3.22Å; V125-A252 HydrophobicContact CG1-CB 3.75Å |
| 126 | S | 95.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59.8 | -42.3 | 179.1 | -57.4 | 0 | 0 | 0 | 0 | 112.2 | M122 T123 R129 Y130 Y217 | M122-S126 PolarHBondContact O-N 2.96Å; M122-S126 PolarHBondContact O-OG 2.83Å; T123-S126 PolarHBondContact O-N 2.84Å; S126-R129 PolarHBondContact O-N 3.06Å; S126-Y130 WeakPolarHBondContact O-CB 3.18Å; S126-Y130 PolarHBondContact O-N 3.43Å; S126-Y217 WeakPolarHBondContact OG-CE2 2.96Å; S126-Y217 PolarHBondContact OG-OH 3.26Å |
| 127 | L | 93.4 | Very high | 90.8 | Very high | 67 Ų | 67 | 35.4 Ų | 35.4 | 35% | 0.351 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -62.7 | -45.6 | 174.2 | -76 | 174 | 0 | 0 | 0 | 112.3 | T123 V124 V125 R129 Y130 L131 I212 | T123-L127 PolarHBondContact O-N 2.87Å; V124-L127 PolarHBondContact O-N 3.35Å; V125-L127 VanDerWaalsContact C-N 3.33Å; V125-L127 PolarHBondContact O-N 3.36Å; L127-R129 VanDerWaalsContact C-N 3.3Å; L127-R129 PolarHBondContact O-N 2.93Å; L127-Y130 PolarHBondContact O-N 2.84Å; L127-L131 WeakPolarHBondContact O-CG 3.35Å; L127-L131 PolarHBondContact O-N 3.39Å; L127-I212 HydrophobicContact CD1-CG2 3.81Å; L127-I212 HydrophobicContact CD2-CG2 3.51Å; L127-I212 HydrophobicContact CG-CG2 3.45Å; L127-I212 VanDerWaalsContact CG-CG2 3.45Å |
| 128 | D | 91.1 | Very high | 89.1 | Confident | 13 Ų | 13 | 42.1 Ų | 42.1 | 7% | 0.07 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.2 | -42.1 | 176.1 | 172.4 | 67.7 | 0 | 0 | 0 | 111.6 | V124 V125 K132 L142 | V124-D128 PolarHBondContact O-N 2.81Å; V125-D128 PolarHBondContact O-N 3.41Å; D128-K132 VanDerWaalsContact CG-NZ 3.28Å; D128-K132 WeakPolarHBondContact O-CB 3.26Å; D128-K132 WeakPolarHBondContact O-CG 3.09Å; D128-K132 PolarHBondContact O-N 2.91Å; D128-K132 VanDerWaalsContact OD1-CE 3.31Å; D128-K132 WeakPolarHBondContact OD1-CE 3.48Å; D128-K132 IonicContact OD1-NZ 2.7Å; D128-K132 PolarHBondContact OD1-NZ 3.31Å; D128-K132 IonicContact OD2-NZ 3Å; D128-K132 PolarHBondContact OD2-NZ 3.5Å; D128-L142 HydrophobicContact CB-CD2 4.11Å; D128-L142 WeakPolarHBondContact OD1-CD2 3.49Å |
| 129 | R | 91.7 | Very high | 87.4 | Confident | 4 Ų | 4 | 42.9 Ų | 42.9 | 2% | 0.015 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.7 | -45.6 | 175.6 | -64.9 | -56 | 92.3 | -168.3 | 3 | 111.4 | V125 S126 L127 K132 I133 I220 E245 T249 A252 | V125-R129 HydrophobicContact CG1-CG 4.3Å; V125-R129 VanDerWaalsContact O-CG 3.27Å; V125-R129 WeakPolarHBondContact O-CG 3.24Å; V125-R129 PolarHBondContact O-N 3.22Å; S126-R129 PolarHBondContact O-N 3.06Å; L127-R129 VanDerWaalsContact C-N 3.3Å; L127-R129 PolarHBondContact O-N 2.93Å; R129-K132 PolarHBondContact O-N 3.4Å; R129-I133 WeakPolarHBondContact O-CG1 3.45Å; R129-I133 PolarHBondContact O-N 2.95Å; R129-I220 HydrophobicContact CB-CD1 3.93Å; R129-E245 IonicContact CZ-OE2 3.24Å; R129-E245 IonicContact NH1-OE2 3.52Å; R129-E245 PolarHBondContact NH1-OE2 3.19Å; R129-E245 IonicContact NH2-OE2 3.46Å; R129-E245 PolarHBondContact NH2-OE2 3.01Å; R129-T249 HydrophobicContact CB-CG2 4.18Å; R129-T249 VanDerWaalsContact CD-OG1 3.32Å; R129-T249 WeakPolarHBondContact CD-OG1 3.32Å; R129-T249 HydrophobicContact CG-CG2 4.44Å; R129-A252 HydrophobicContact CG-CB 4.42Å |
| 130 | Y | 91.8 | Very high | 85.8 | Confident | 32 Ų | 32 | 47.6 Ų | 47.6 | 13% | 0.125 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.8 | -49.5 | 177.9 | 166.2 | -107.8 | 0 | 0 | 0 | 111.5 | S126 L127 K132 I133 C134 H135 F215 M219 I220 | S126-Y130 WeakPolarHBondContact O-CB 3.18Å; S126-Y130 PolarHBondContact O-N 3.43Å; L127-Y130 PolarHBondContact O-N 2.84Å; Y130-K132 VanDerWaalsContact C-N 3.35Å; Y130-K132 PolarHBondContact O-N 2.89Å; Y130-I133 PolarHBondContact O-N 3.12Å; Y130-C134 HydrophobicContact CD2-CB 3.85Å; Y130-C134 VanDerWaalsContact CD2-SG 3.57Å; Y130-C134 HydrophobicContact CE2-CB 3.64Å; Y130-C134 VanDerWaalsContact O-CB 3.25Å; Y130-C134 WeakPolarHBondContact O-CB 3.25Å; Y130-C134 PolarHBondContact O-N 3.4Å; Y130-H135 AromaticContact CE1-CD2 3.75Å; Y130-H135 AromaticContact CE1-NE2 3.93Å; Y130-H135 AromaticContact CZ-CD2 3.64Å; Y130-H135 AromaticContact CZ-NE2 3.48Å; Y130-H135 PolarHBondContact OH-NE2 3.46Å; Y130-F215 HydrophobicContact CE1-CE1 4.45Å; Y130-M219 HydrophobicContact CD2-CB 3.84Å; Y130-M219 HydrophobicContact CE2-CB 3.51Å; Y130-M219 HydrophobicContact CE2-CG 4.1Å; Y130-I220 HydrophobicContact CD2-CG1 4.45Å |
| 131 | L | 89.4 | Confident | 84.2 | Confident | 58 Ų | 58 | 54.4 Ų | 54.4 | 30% | 0.304 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61.2 | -43 | 178.9 | -67.8 | 173.6 | 0 | 0 | 0 | 111.6 | L127 H135 | L127-L131 WeakPolarHBondContact O-CG 3.35Å; L127-L131 PolarHBondContact O-N 3.39Å; L131-H135 CarbonylContact O-C 3.47Å; L131-H135 WeakPolarHBondContact O-CA 3.33Å; L131-H135 WeakPolarHBondContact O-CB 3.08Å; L131-H135 PolarHBondContact O-N 2.97Å; L131-H135 VanDerWaalsContact O-N 3.08Å |
| 132 | K | 86.3 | Confident | 83 | Confident | 37 Ų | 37 | 55.8 Ų | 55.8 | 16% | 0.161 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.7 | -37.8 | 179.9 | -80.8 | 172.5 | 174.4 | 145.6 | 0 | 114.3 | D128 R129 Y130 | D128-K132 VanDerWaalsContact CG-NZ 3.28Å; D128-K132 WeakPolarHBondContact O-CB 3.26Å; D128-K132 WeakPolarHBondContact O-CG 3.09Å; D128-K132 PolarHBondContact O-N 2.91Å; D128-K132 VanDerWaalsContact OD1-CE 3.31Å; D128-K132 WeakPolarHBondContact OD1-CE 3.48Å; D128-K132 IonicContact OD1-NZ 2.7Å; D128-K132 PolarHBondContact OD1-NZ 3.31Å; D128-K132 IonicContact OD2-NZ 3Å; D128-K132 PolarHBondContact OD2-NZ 3.5Å; R129-K132 PolarHBondContact O-N 3.4Å; Y130-K132 VanDerWaalsContact C-N 3.35Å; Y130-K132 PolarHBondContact O-N 2.89Å |
| 133 | I | 87.1 | Confident | 82.3 | Confident | 10 Ų | 10 | 61.9 Ų | 61.9 | 5% | 0.051 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -89.6 | -44.8 | -175.2 | -59.9 | -61 | 0 | 0 | 0 | 111.8 | R129 Y130 I220 V224 E245 M246 | R129-I133 WeakPolarHBondContact O-CG1 3.45Å; R129-I133 PolarHBondContact O-N 2.95Å; Y130-I133 PolarHBondContact O-N 3.12Å; I133-I220 HydrophobicContact CB-CG1 4.36Å; I133-I220 HydrophobicContact CG2-CG2 4.2Å; I133-V224 HydrophobicContact CG2-CG2 4Å; I133-E245 HydrophobicContact CD1-CB 4.01Å; I133-M246 HydrophobicContact CD1-SD 3.92Å; I133-M246 HydrophobicContact CG1-SD 4.46Å; I133-M246 HydrophobicContact CG2-SD 4.37Å |
| 134 | C | 86.7 | Confident | 81.7 | Confident | 18 Ų | 18 | 65.8 Ų | 65.8 | 12% | 0.122 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -84.2 | -29.4 | -175.3 | -62.6 | 0 | 0 | 0 | 0 | 112.9 | Y130 | Y130-C134 HydrophobicContact CD2-CB 3.85Å; Y130-C134 VanDerWaalsContact CD2-SG 3.57Å; Y130-C134 HydrophobicContact CE2-CB 3.64Å; Y130-C134 VanDerWaalsContact O-CB 3.25Å; Y130-C134 WeakPolarHBondContact O-CB 3.25Å; Y130-C134 PolarHBondContact O-N 3.4Å |
| 135 | H | 82.8 | Confident | 81.3 | Confident | 75 Ų | 75 | 69.5 Ų | 69.5 | 35% | 0.347 | 32% | 0.319 | S | S | . | . | trans | -131.6 | 69.2 | -169.1 | -68.7 | -64.8 | 0 | 0 | 0 | 111.5 | Y130 L131 R137 Y138 G139 | Y130-H135 AromaticContact CE1-CD2 3.75Å; Y130-H135 AromaticContact CE1-NE2 3.93Å; Y130-H135 AromaticContact CZ-CD2 3.64Å; Y130-H135 AromaticContact CZ-NE2 3.48Å; Y130-H135 PolarHBondContact OH-NE2 3.46Å; L131-H135 CarbonylContact O-C 3.47Å; L131-H135 WeakPolarHBondContact O-CA 3.33Å; L131-H135 WeakPolarHBondContact O-CB 3.08Å; L131-H135 PolarHBondContact O-N 2.97Å; L131-H135 VanDerWaalsContact O-N 3.08Å; H135-R137 PolarHBondContact O-N 3.31Å; H135-Y138 HydrophobicContact CB-CD2 4.06Å; H135-Y138 CarbonylContact O-C 3.55Å; H135-Y138 WeakPolarHBondContact O-CA 3.09Å; H135-Y138 PolarHBondContact O-N 3.05Å; H135-G139 PolarHBondContact O-N 2.97Å | ||
| 136 | L | 70.4 | Confident | 81.1 | Confident | 126 Ų | 126 | 69.8 Ų | 69.8 | 66% | 0.66 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -51.6 | -32.8 | -175.7 | -79.7 | 98.2 | 0 | 0 | 0 | 114.1 | Y138 G139 | L136-Y138 VanDerWaalsContact C-N 3.26Å; L136-Y138 PolarHBondContact O-N 3.48Å; L136-G139 PolarHBondContact O-N 3Å |
| 137 | R | 66.3 | Low | 80.8 | Confident | 221 Ų | 221 | 69.8 Ų | 69.8 | 83% | 0.834 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -61.3 | -32.3 | 175.2 | -172.1 | 175.8 | 179.3 | 178.3 | -0.2 | 113.1 | H135 | H135-R137 PolarHBondContact O-N 3.31Å |
| 138 | Y | 63.7 | Low | 80.8 | Confident | 142 Ų | 142 | 71.5 Ų | 71.5 | 56% | 0.557 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -98.9 | -17.3 | 178.2 | -64.6 | -81.5 | 0 | 0 | 0 | 112.7 | H135 L136 T140 W141 | H135-Y138 HydrophobicContact CB-CD2 4.06Å; H135-Y138 CarbonylContact O-C 3.55Å; H135-Y138 WeakPolarHBondContact O-CA 3.09Å; H135-Y138 PolarHBondContact O-N 3.05Å; L136-Y138 VanDerWaalsContact C-N 3.26Å; L136-Y138 PolarHBondContact O-N 3.48Å; Y138-T140 PolarHBondContact O-N 3.32Å; Y138-T140 VanDerWaalsContact O-N 3.12Å; Y138-W141 WeakPolarHBondContact O-CB 3.08Å; Y138-W141 PolarHBondContact O-N 3.26Å |
| 139 | G | 60.4 | Low | 80.9 | Confident | 16 Ų | 16 | 76.1 Ų | 76.1 | 17% | 0.165 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60.3 | -20 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | H135 L136 | H135-G139 PolarHBondContact O-N 2.97Å; L136-G139 PolarHBondContact O-N 3Å |
| 140 | T | 65.7 | Low | 81.1 | Confident | 110 Ų | 110 | 77.4 Ų | 77.4 | 68% | 0.675 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -8.5 | 174.2 | 56 | 0 | 0 | 0 | 0 | 113.6 | Y138 | Y138-T140 PolarHBondContact O-N 3.32Å; Y138-T140 VanDerWaalsContact O-N 3.12Å |
| 141 | W | 64.2 | Low | 81.3 | Confident | 153 Ų | 153 | 77 Ų | 77 | 58% | 0.58 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -34.8 | -175 | -167 | 82.8 | 0 | 0 | 0 | 112.5 | Y138 K143 H146 | Y138-W141 WeakPolarHBondContact O-CB 3.08Å; Y138-W141 PolarHBondContact O-N 3.26Å; W141-K143 VanDerWaalsContact C-N 3.27Å; W141-K143 PolarHBondContact O-N 3.16Å; W141-H146 AromaticContact CD2-CE1 3.89Å; W141-H146 AromaticContact CE2-CE1 3.77Å; W141-H146 AromaticContact CE2-NE2 3.81Å; W141-H146 AromaticContact CH2-CD2 3.77Å; W141-H146 AromaticContact CH2-NE2 3.62Å; W141-H146 AromaticContact CZ2-CE1 3.92Å; W141-H146 AromaticContact CZ2-NE2 3.48Å; W141-H146 WeakPolarHBondContact CZ2-NE2 3.23Å; W141-H146 PolarHBondContact O-CE1 3.46Å; W141-H146 PolarHBondContact O-ND1 2.81Å |
| 142 | L | 72.4 | Confident | 81.7 | Confident | 28 Ų | 28 | 76.5 Ų | 76.5 | 15% | 0.147 | 36% | 0.361 | C | S | . | . | trans | -76 | 77.2 | -178.2 | -147 | 92.5 | 0 | 0 | 0 | 112.6 | D128 H146 | D128-L142 HydrophobicContact CB-CD2 4.11Å; D128-L142 WeakPolarHBondContact OD1-CD2 3.49Å; L142-H146 HydrophobicContact CD1-CB 4.07Å; L142-H146 HydrophobicContact CG-CB 4.24Å | ||
| 143 | K | 81.7 | Confident | 82.2 | Confident | 133 Ų | 133 | 79.7 Ų | 79.7 | 58% | 0.578 | 38% | 0.375 | S | S | * | . | trans | -73.9 | 167.9 | 168.6 | -64.6 | -179.8 | -177.9 | 176.1 | 0 | 110.8 | W141 H145 H146 T147 | W141-K143 VanDerWaalsContact C-N 3.27Å; W141-K143 PolarHBondContact O-N 3.16Å; K143-H145 VanDerWaalsContact C-N 3.29Å; K143-H145 PolarHBondContact O-N 3Å; K143-H146 PolarHBondContact N-ND1 2.82Å; K143-H146 WeakPolarHBondContact O-CB 3.34Å; K143-H146 PolarHBondContact O-N 3.45Å; K143-T147 PolarHBondContact O-N 3.37Å; K143-T147 PolarHBondContact O-OG1 3.33Å | ||
| 144 | R | 84.5 | Confident | 82.7 | Confident | 91 Ų | 91 | 79.2 Ų | 79.2 | 34% | 0.343 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -57.2 | -35.3 | -178.3 | -167.9 | -176.9 | 179.2 | 137 | -5.6 | 114.2 | L63 L68 T147 F148 | L63-R144 PolarHBondContact O-NH1 3.18Å; L68-R144 HydrophobicContact CD1-CG 4.01Å; R144-T147 VanDerWaalsContact O-CB 3.3Å; R144-T147 WeakPolarHBondContact O-CB 3.39Å; R144-T147 PolarHBondContact O-N 3.35Å; R144-F148 HydrophobicContact CG-CD2 4.21Å; R144-F148 HydrophobicContact CG-CE2 3.78Å; R144-F148 VanDerWaalsContact O-CD2 3.25Å; R144-F148 WeakPolarHBondContact O-CD2 3.25Å; R144-F148 PolarHBondContact O-N 2.87Å |
| 145 | H | 87.6 | Confident | 83.3 | Confident | 99 Ų | 99 | 83 Ų | 83 | 46% | 0.458 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -67.8 | -42.3 | 179 | 70.2 | -87.2 | 0 | 0 | 0 | 111.7 | K143 T147 F148 I149 | K143-H145 VanDerWaalsContact C-N 3.29Å; K143-H145 PolarHBondContact O-N 3Å; H145-T147 PolarHBondContact O-N 2.91Å; H145-F148 PolarHBondContact O-N 3.45Å; H145-F148 VanDerWaalsContact O-N 3.08Å; H145-I149 WeakPolarHBondContact O-CG1 3.43Å; H145-I149 PolarHBondContact O-N 3.47Å |
| 146 | H | 89.4 | Confident | 84 | Confident | 32 Ų | 32 | 85.4 Ų | 85.4 | 15% | 0.148 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -57.3 | -39.8 | 172.4 | -60.9 | 128.8 | 0 | 0 | 0 | 111.2 | W141 L142 K143 F148 I149 C150 | W141-H146 AromaticContact CD2-CE1 3.89Å; W141-H146 AromaticContact CE2-CE1 3.77Å; W141-H146 AromaticContact CE2-NE2 3.81Å; W141-H146 AromaticContact CH2-CD2 3.77Å; W141-H146 AromaticContact CH2-NE2 3.62Å; W141-H146 AromaticContact CZ2-CE1 3.92Å; W141-H146 AromaticContact CZ2-NE2 3.48Å; W141-H146 WeakPolarHBondContact CZ2-NE2 3.23Å; W141-H146 PolarHBondContact O-CE1 3.46Å; W141-H146 PolarHBondContact O-ND1 2.81Å; L142-H146 HydrophobicContact CD1-CB 4.07Å; L142-H146 HydrophobicContact CG-CB 4.24Å; K143-H146 PolarHBondContact N-ND1 2.82Å; K143-H146 WeakPolarHBondContact O-CB 3.34Å; K143-H146 PolarHBondContact O-N 3.45Å; H146-F148 PolarHBondContact O-N 2.92Å; H146-I149 PolarHBondContact O-N 2.99Å; H146-C150 PolarHBondContact O-N 2.81Å; H146-C150 PolarHBondContact O-SG 3.14Å |
| 147 | T | 90.1 | Very high | 85.3 | Confident | 0 Ų | 0 | 81.1 Ų | 81.1 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -58 | -46.3 | 174.5 | -46.7 | 0 | 0 | 0 | 0 | 112 | P65 L68 M69 K143 R144 H145 I149 C150 L151 | P65-T147 HydrophobicContact CB-CG2 4.42Å; P65-T147 VanDerWaalsContact CB-OG1 3.31Å; P65-T147 WeakPolarHBondContact CB-OG1 3.36Å; L68-T147 HydrophobicContact CB-CG2 3.95Å; L68-T147 HydrophobicContact CD1-CG2 4.03Å; M69-T147 HydrophobicContact CE-CG2 3.55Å; M69-T147 HydrophobicContact CG-CG2 4.15Å; M69-T147 HydrophobicContact SD-CG2 4.49Å; K143-T147 PolarHBondContact O-N 3.37Å; K143-T147 PolarHBondContact O-OG1 3.33Å; R144-T147 VanDerWaalsContact O-CB 3.3Å; R144-T147 WeakPolarHBondContact O-CB 3.39Å; R144-T147 PolarHBondContact O-N 3.35Å; H145-T147 PolarHBondContact O-N 2.91Å; T147-I149 VanDerWaalsContact C-N 3.35Å; T147-I149 PolarHBondContact O-N 3.46Å; T147-C150 PolarHBondContact O-N 3.47Å; T147-L151 VanDerWaalsContact O-CG 3.29Å; T147-L151 WeakPolarHBondContact O-CG 3.42Å; T147-L151 PolarHBondContact O-N 3.48Å |
| 148 | F | 92.9 | Very high | 86.9 | Confident | 104 Ų | 104 | 70.6 Ų | 70.6 | 46% | 0.456 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.9 | -37.2 | 177.8 | -75 | -65 | 0 | 0 | 0 | 113 | L68 R144 H145 H146 L151 A152 | L68-F148 HydrophobicContact CD1-CE2 4.43Å; L68-F148 HydrophobicContact CD1-CZ 4.18Å; R144-F148 HydrophobicContact CG-CD2 4.21Å; R144-F148 HydrophobicContact CG-CE2 3.78Å; R144-F148 VanDerWaalsContact O-CD2 3.25Å; R144-F148 WeakPolarHBondContact O-CD2 3.25Å; R144-F148 PolarHBondContact O-N 2.87Å; H145-F148 PolarHBondContact O-N 3.45Å; H145-F148 VanDerWaalsContact O-N 3.08Å; H146-F148 PolarHBondContact O-N 2.92Å; F148-L151 HydrophobicContact CD1-CD1 4.21Å; F148-L151 PolarHBondContact O-N 3.48Å; F148-A152 PolarHBondContact O-N 3.44Å |
| 149 | I | 94.6 | Very high | 88.5 | Confident | 109 Ų | 109 | 65.3 Ų | 65.3 | 56% | 0.559 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -62 | -46.6 | 173.7 | -64.1 | 167.8 | 0 | 0 | 0 | 110.1 | H145 H146 T147 L151 A152 F153 | H145-I149 WeakPolarHBondContact O-CG1 3.43Å; H145-I149 PolarHBondContact O-N 3.47Å; H146-I149 PolarHBondContact O-N 2.99Å; T147-I149 VanDerWaalsContact C-N 3.35Å; T147-I149 PolarHBondContact O-N 3.46Å; I149-L151 VanDerWaalsContact C-N 3.3Å; I149-L151 PolarHBondContact O-N 3.38Å; I149-A152 PolarHBondContact O-N 3.07Å; I149-F153 PolarHBondContact O-N 2.89Å |
| 150 | C | 94.8 | Very high | 90.3 | Very high | 32 Ų | 32 | 69 Ų | 69 | 22% | 0.216 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.6 | -38.9 | 175.4 | -65.7 | 0 | 0 | 0 | 0 | 112.2 | M69 V124 H146 T147 F153 V154 | M69-C150 HydrophobicContact CE-CB 3.61Å; V124-C150 HydrophobicContact CG1-CB 3.97Å; H146-C150 PolarHBondContact O-N 2.81Å; H146-C150 PolarHBondContact O-SG 3.14Å; T147-C150 PolarHBondContact O-N 3.47Å; C150-F153 WeakPolarHBondContact O-CB 3.5Å; C150-F153 PolarHBondContact O-N 3.45Å; C150-V154 WeakPolarHBondContact O-CG2 3.27Å; C150-V154 PolarHBondContact O-N 3.37Å |
| 151 | L | 95.9 | Very high | 91.8 | Very high | 22 Ų | 22 | 64.5 Ų | 64.5 | 12% | 0.115 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.9 | -47.8 | 175.6 | -69 | 177.2 | 0 | 0 | 0 | 111.2 | L68 M69 N72 T147 F148 I149 F153 V154 W155 | L68-L151 HydrophobicContact CB-CD1 4.48Å; M69-L151 HydrophobicContact CE-CD2 3.96Å; M69-L151 HydrophobicContact CE-CG 4.07Å; M69-L151 HydrophobicContact SD-CD2 3.65Å; M69-L151 HydrophobicContact SD-CG 4.38Å; N72-L151 HydrophobicContact CB-CD2 3.49Å; N72-L151 VanDerWaalsContact CB-CD2 3.49Å; T147-L151 VanDerWaalsContact O-CG 3.29Å; T147-L151 WeakPolarHBondContact O-CG 3.42Å; T147-L151 PolarHBondContact O-N 3.48Å; F148-L151 HydrophobicContact CD1-CD1 4.21Å; F148-L151 PolarHBondContact O-N 3.48Å; I149-L151 VanDerWaalsContact C-N 3.3Å; I149-L151 PolarHBondContact O-N 3.38Å; L151-F153 VanDerWaalsContact C-N 3.26Å; L151-F153 PolarHBondContact O-N 3.11Å; L151-V154 PolarHBondContact O-N 3.21Å; L151-V154 VanDerWaalsContact O-N 3.13Å; L151-W155 VanDerWaalsContact O-CD1 3.24Å; L151-W155 PolarHBondContact O-N 3.5Å |
| 152 | A | 97.3 | Very high | 93.4 | Very high | 49 Ų | 49 | 57.2 Ų | 57.2 | 41% | 0.405 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -56.3 | -44.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | F148 I149 W155 M156 | F148-A152 PolarHBondContact O-N 3.44Å; I149-A152 PolarHBondContact O-N 3.07Å; A152-W155 PolarHBondContact O-N 2.93Å; A152-M156 HydrophobicContact CB-CE 4.3Å; A152-M156 WeakPolarHBondContact O-CB 3.46Å; A152-M156 WeakPolarHBondContact O-CE 3.46Å; A152-M156 VanDerWaalsContact O-CG 3.31Å; A152-M156 WeakPolarHBondContact O-CG 3.29Å; A152-M156 PolarHBondContact O-N 3.39Å |
| 153 | F | 97.4 | Very high | 94.6 | Very high | 104 Ų | 104 | 58.1 Ų | 58.1 | 46% | 0.456 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -57.7 | -49.5 | 174.1 | 171 | -98.6 | 0 | 0 | 0 | 112.4 | I120 I149 C150 L151 W155 M156 Y157 | I120-F153 HydrophobicContact CG2-CE1 4.09Å; I149-F153 PolarHBondContact O-N 2.89Å; C150-F153 WeakPolarHBondContact O-CB 3.5Å; C150-F153 PolarHBondContact O-N 3.45Å; L151-F153 VanDerWaalsContact C-N 3.26Å; L151-F153 PolarHBondContact O-N 3.11Å; F153-W155 VanDerWaalsContact C-N 3.32Å; F153-W155 PolarHBondContact O-N 3.38Å; F153-M156 PolarHBondContact O-N 2.96Å; F153-Y157 HydrophobicContact CE1-CD2 4.26Å; F153-Y157 AromaticContact CE2-CD2 3.97Å; F153-Y157 HydrophobicContact CE2-CD2 3.97Å; F153-Y157 AromaticContact CZ-CD2 3.55Å; F153-Y157 HydrophobicContact CZ-CD2 3.55Å; F153-Y157 HydrophobicContact CZ-CE2 4.17Å; F153-Y157 HydrophobicContact CZ-CG 4.21Å; F153-Y157 WeakPolarHBondContact O-CB 3.5Å; F153-Y157 PolarHBondContact O-N 3.45Å |
| 154 | V | 98.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -55.7 | -47.1 | 179.3 | 171.4 | 0 | 0 | 0 | 0 | 111.3 | F76 I120 T121 V124 C150 L151 Y157 A158 | F76-V154 HydrophobicContact CE2-CG1 3.63Å; F76-V154 HydrophobicContact CZ-CG1 3.95Å; I120-V154 HydrophobicContact CB-CG1 4.46Å; I120-V154 HydrophobicContact CG2-CB 4.47Å; I120-V154 HydrophobicContact CG2-CG2 3.94Å; T121-V154 WeakPolarHBondContact OG1-CG1 3.32Å; V124-V154 HydrophobicContact CG2-CG2 4.21Å; C150-V154 WeakPolarHBondContact O-CG2 3.27Å; C150-V154 PolarHBondContact O-N 3.37Å; L151-V154 PolarHBondContact O-N 3.21Å; L151-V154 VanDerWaalsContact O-N 3.13Å; V154-Y157 PolarHBondContact O-N 3.29Å; V154-A158 WeakPolarHBondContact O-CB 3.42Å; V154-A158 PolarHBondContact O-N 3.41Å |
| 155 | W | 98.4 | Very high | 95.8 | Very high | 96 Ų | 96 | 49.2 Ų | 49.2 | 36% | 0.364 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -66.8 | -45.6 | -178.7 | -80.8 | 77.5 | 0 | 0 | 0 | 112.2 | N72 I75 F76 F113 L151 A152 F153 Y157 A159 | N72-W155 PolarHBondContact OD1-NE1 3.37Å; I75-W155 HydrophobicContact CG2-CH2 4.06Å; I75-W155 HydrophobicContact CG2-CZ2 3.82Å; F76-W155 HydrophobicContact CE1-CD2 4.38Å; F76-W155 HydrophobicContact CE1-CH2 4.41Å; F76-W155 HydrophobicContact CE1-CZ2 4.26Å; F76-W155 HydrophobicContact CE2-CZ2 4.44Å; F76-W155 AromaticContact CE2-NE1 3.84Å; F76-W155 AromaticContact CZ-CD1 3.98Å; F76-W155 AromaticContact CZ-CD2 3.86Å; F76-W155 HydrophobicContact CZ-CD2 3.86Å; F76-W155 AromaticContact CZ-CE2 3.64Å; F76-W155 HydrophobicContact CZ-CE3 4.45Å; F76-W155 HydrophobicContact CZ-CG 4.08Å; F76-W155 HydrophobicContact CZ-CZ2 4.04Å; F76-W155 AromaticContact CZ-NE1 3.73Å; F113-W155 HydrophobicContact CE1-CE3 4.34Å; F113-W155 AromaticContact CE1-CZ3 3.94Å; F113-W155 HydrophobicContact CE1-CZ3 3.94Å; F113-W155 AromaticContact CZ-CE3 3.61Å; F113-W155 HydrophobicContact CZ-CE3 3.61Å; F113-W155 AromaticContact CZ-CZ3 3.65Å; F113-W155 HydrophobicContact CZ-CZ3 3.65Å; L151-W155 VanDerWaalsContact O-CD1 3.24Å; L151-W155 PolarHBondContact O-N 3.5Å; A152-W155 PolarHBondContact O-N 2.93Å; F153-W155 VanDerWaalsContact C-N 3.32Å; F153-W155 PolarHBondContact O-N 3.38Å; W155-Y157 VanDerWaalsContact C-N 3.33Å; W155-Y157 PolarHBondContact O-N 3.1Å; W155-A159 VanDerWaalsContact O-CB 3.25Å; W155-A159 WeakPolarHBondContact O-CB 3.45Å; W155-A159 PolarHBondContact O-N 3.32Å |
| 156 | M | 98.4 | Very high | 96.1 | Very high | 126 Ų | 126 | 48.4 Ų | 48.4 | 62% | 0.621 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -63.5 | -40.7 | 176.4 | -69.8 | -175.2 | -64.9 | 0 | 0 | 111.7 | A152 F153 A159 F160 | A152-M156 HydrophobicContact CB-CE 4.3Å; A152-M156 WeakPolarHBondContact O-CB 3.46Å; A152-M156 WeakPolarHBondContact O-CE 3.46Å; A152-M156 VanDerWaalsContact O-CG 3.31Å; A152-M156 WeakPolarHBondContact O-CG 3.29Å; A152-M156 PolarHBondContact O-N 3.39Å; F153-M156 PolarHBondContact O-N 2.96Å; M156-A159 PolarHBondContact O-N 3.2Å; M156-F160 VanDerWaalsContact O-CB 3.3Å; M156-F160 WeakPolarHBondContact O-CB 3.18Å; M156-F160 PolarHBondContact O-N 3.49Å |
| 157 | Y | 98.4 | Very high | 96.3 | Very high | 36 Ų | 36 | 52 Ų | 52 | 14% | 0.141 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.7 | -49.5 | 178.8 | -171.7 | -82.1 | 0 | 0 | 0 | 111.4 | I120 F153 V154 W155 A159 F160 W161 F204 | I120-Y157 HydrophobicContact CD1-CD1 4.04Å; I120-Y157 HydrophobicContact CD1-CE1 3.57Å; I120-Y157 HydrophobicContact CG1-CD1 3.66Å; I120-Y157 HydrophobicContact CG1-CE1 3.69Å; F153-Y157 HydrophobicContact CE1-CD2 4.26Å; F153-Y157 AromaticContact CE2-CD2 3.97Å; F153-Y157 HydrophobicContact CE2-CD2 3.97Å; F153-Y157 AromaticContact CZ-CD2 3.55Å; F153-Y157 HydrophobicContact CZ-CD2 3.55Å; F153-Y157 HydrophobicContact CZ-CE2 4.17Å; F153-Y157 HydrophobicContact CZ-CG 4.21Å; F153-Y157 WeakPolarHBondContact O-CB 3.5Å; F153-Y157 PolarHBondContact O-N 3.45Å; V154-Y157 PolarHBondContact O-N 3.29Å; W155-Y157 VanDerWaalsContact C-N 3.33Å; W155-Y157 PolarHBondContact O-N 3.1Å; Y157-A159 VanDerWaalsContact C-N 3.35Å; Y157-A159 PolarHBondContact O-N 2.99Å; Y157-F160 PolarHBondContact O-N 2.73Å; Y157-W161 AromaticContact CD1-CD1 3.54Å; Y157-W161 AromaticContact CD1-NE1 3.87Å; Y157-W161 AromaticContact CE1-CD1 3.26Å; Y157-W161 HydrophobicContact CE1-CG 4.47Å; Y157-W161 AromaticContact CE1-NE1 3.29Å; Y157-W161 VanDerWaalsContact CE1-NE1 3.29Å; Y157-W161 AromaticContact CE2-NE1 3.51Å; Y157-W161 AromaticContact CZ-CD1 3.63Å; Y157-W161 AromaticContact CZ-NE1 3.09Å; Y157-W161 PolarHBondContact O-N 3.3Å; Y157-W161 PolarHBondContact OH-NE1 3.33Å; Y157-F204 VanDerWaalsContact OH-C 3.27Å; Y157-F204 WeakPolarHBondContact OH-CB 3.33Å; Y157-F204 PolarHBondContact OH-O 3.37Å |
| 158 | A | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.3 | -42.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | F113 C116 V154 A162 | F113-A158 HydrophobicContact CD2-CB 3.85Å; F113-A158 HydrophobicContact CE2-CB 3.85Å; C116-A158 HydrophobicContact CB-CB 4.33Å; V154-A158 WeakPolarHBondContact O-CB 3.42Å; V154-A158 PolarHBondContact O-N 3.41Å; A158-A162 WeakPolarHBondContact O-CB 3.47Å; A158-A162 PolarHBondContact O-N 3.36Å |
| 159 | A | 98.3 | Very high | 96.1 | Very high | 32 Ų | 32 | 53.5 Ų | 53.5 | 26% | 0.264 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.7 | -44.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | F113 W155 M156 Y157 A162 T163 | F113-A159 HydrophobicContact CD2-CB 4.38Å; F113-A159 HydrophobicContact CE2-CB 3.92Å; W155-A159 VanDerWaalsContact O-CB 3.25Å; W155-A159 WeakPolarHBondContact O-CB 3.45Å; W155-A159 PolarHBondContact O-N 3.32Å; M156-A159 PolarHBondContact O-N 3.2Å; Y157-A159 VanDerWaalsContact C-N 3.35Å; Y157-A159 PolarHBondContact O-N 2.99Å; A159-A162 PolarHBondContact O-N 3.44Å; A159-T163 VanDerWaalsContact O-CB 3.32Å; A159-T163 WeakPolarHBondContact O-CB 3.47Å; A159-T163 WeakPolarHBondContact O-CG2 3.5Å; A159-T163 PolarHBondContact O-N 3.43Å; A159-T163 PolarHBondContact O-OG1 3.04Å |
| 160 | F | 98.1 | Very high | 96 | Very high | 94 Ų | 94 | 48.5 Ų | 48.5 | 41% | 0.412 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -55.8 | -59.3 | 177.8 | 173.6 | -97.5 | 0 | 0 | 0 | 110.7 | M156 Y157 A162 T163 M164 W169 | M156-F160 VanDerWaalsContact O-CB 3.3Å; M156-F160 WeakPolarHBondContact O-CB 3.18Å; M156-F160 PolarHBondContact O-N 3.49Å; Y157-F160 PolarHBondContact O-N 2.73Å; F160-A162 VanDerWaalsContact C-N 3.35Å; F160-A162 PolarHBondContact O-N 2.89Å; F160-T163 PolarHBondContact O-N 3.43Å; F160-T163 PolarHBondContact O-OG1 2.88Å; F160-M164 HydrophobicContact CD2-CE 3.91Å; F160-M164 HydrophobicContact CD2-SD 4.39Å; F160-M164 HydrophobicContact CE1-CG 4.2Å; F160-M164 HydrophobicContact CE2-CE 3.84Å; F160-M164 HydrophobicContact CE2-CG 4.29Å; F160-M164 HydrophobicContact CE2-SD 3.8Å; F160-M164 HydrophobicContact CZ-CG 4.06Å; F160-M164 HydrophobicContact CZ-SD 3.95Å; F160-M164 WeakPolarHBondContact O-CG 3.2Å; F160-M164 PolarHBondContact O-N 2.87Å; F160-M164 VanDerWaalsContact O-N 3.16Å; F160-W169 HydrophobicContact CZ-CZ3 4.35Å |
| 161 | W | 98 | Very high | 95.9 | Very high | 15 Ų | 15 | 49.6 Ų | 49.6 | 6% | 0.057 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.1 | -36.7 | -176.5 | -69.3 | 110.2 | 0 | 0 | 0 | 113.5 | F112 Y157 T163 P165 W169 F197 A200 I201 F204 | F112-W161 HydrophobicContact CE1-CB 3.87Å; F112-W161 WeakPolarHBondContact CE1-O 3.19Å; F112-W161 HydrophobicContact CZ-CB 4.09Å; Y157-W161 AromaticContact CD1-CD1 3.54Å; Y157-W161 AromaticContact CD1-NE1 3.87Å; Y157-W161 AromaticContact CE1-CD1 3.26Å; Y157-W161 HydrophobicContact CE1-CG 4.47Å; Y157-W161 AromaticContact CE1-NE1 3.29Å; Y157-W161 VanDerWaalsContact CE1-NE1 3.29Å; Y157-W161 AromaticContact CE2-NE1 3.51Å; Y157-W161 AromaticContact CZ-CD1 3.63Å; Y157-W161 AromaticContact CZ-NE1 3.09Å; Y157-W161 PolarHBondContact O-N 3.3Å; Y157-W161 PolarHBondContact OH-NE1 3.33Å; W161-T163 VanDerWaalsContact C-N 3.35Å; W161-P165 WeakPolarHBondContact O-CD 3.34Å; W161-W169 HydrophobicContact CH2-CH2 4.42Å; W161-W169 HydrophobicContact CZ3-CH2 4.11Å; W161-W169 HydrophobicContact CZ3-CZ3 4.05Å; W161-F197 HydrophobicContact CE3-CE2 4.3Å; W161-A200 HydrophobicContact CH2-CB 3.89Å; W161-A200 HydrophobicContact CZ3-CB 3.88Å; W161-I201 HydrophobicContact CD2-CG2 4.49Å; W161-I201 HydrophobicContact CE3-CG2 3.67Å; W161-I201 HydrophobicContact CZ3-CG2 3.99Å; W161-F204 HydrophobicContact CH2-CB 4.11Å; W161-F204 AromaticContact CH2-CD2 3.79Å; W161-F204 HydrophobicContact CH2-CD2 3.79Å; W161-F204 HydrophobicContact CH2-CG 4.23Å; W161-F204 HydrophobicContact CZ2-CB 3.52Å; W161-F204 AromaticContact CZ2-CD2 3.82Å; W161-F204 HydrophobicContact CZ2-CD2 3.82Å; W161-F204 AromaticContact CZ2-CG 3.79Å; W161-F204 HydrophobicContact CZ2-CG 3.79Å |
| 162 | A | 97.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -68.5 | -33.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | W109 F112 F113 A158 A159 F160 P165 Y172 | W109-A162 HydrophobicContact CG-CB 4.48Å; F112-A162 HydrophobicContact CD1-CB 4.34Å; F113-A162 HydrophobicContact CB-CB 3.69Å; F113-A162 HydrophobicContact CD2-CB 4.31Å; A158-A162 WeakPolarHBondContact O-CB 3.47Å; A158-A162 PolarHBondContact O-N 3.36Å; A159-A162 PolarHBondContact O-N 3.44Å; F160-A162 VanDerWaalsContact C-N 3.35Å; F160-A162 PolarHBondContact O-N 2.89Å; A162-P165 WeakPolarHBondContact O-CD 3.23Å; A162-Y172 PolarHBondContact O-OH 2.94Å |
| 163 | T | 97.6 | Very high | 95.6 | Very high | 47 Ų | 47 | 46.4 Ų | 46.4 | 29% | 0.288 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -83 | -23.2 | -178 | 53.1 | 0 | 0 | 0 | 0 | 113.7 | A159 F160 W161 L166 V167 | A159-T163 VanDerWaalsContact O-CB 3.32Å; A159-T163 WeakPolarHBondContact O-CB 3.47Å; A159-T163 WeakPolarHBondContact O-CG2 3.5Å; A159-T163 PolarHBondContact O-N 3.43Å; A159-T163 PolarHBondContact O-OG1 3.04Å; F160-T163 PolarHBondContact O-N 3.43Å; F160-T163 PolarHBondContact O-OG1 2.88Å; W161-T163 VanDerWaalsContact C-N 3.35Å; T163-L166 WeakPolarHBondContact O-CB 3.47Å; T163-L166 PolarHBondContact O-N 2.97Å; T163-V167 PolarHBondContact O-N 3.03Å |
| 164 | M | 96 | Very high | 95.4 | Very high | 32 Ų | 32 | 42 Ų | 42 | 16% | 0.158 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -52.8 | -45.1 | -179.2 | -72.7 | -52.5 | 95.7 | 0 | 0 | 114.2 | F160 L166 V167 G168 W169 F197 | F160-M164 HydrophobicContact CD2-CE 3.91Å; F160-M164 HydrophobicContact CD2-SD 4.39Å; F160-M164 HydrophobicContact CE1-CG 4.2Å; F160-M164 HydrophobicContact CE2-CE 3.84Å; F160-M164 HydrophobicContact CE2-CG 4.29Å; F160-M164 HydrophobicContact CE2-SD 3.8Å; F160-M164 HydrophobicContact CZ-CG 4.06Å; F160-M164 HydrophobicContact CZ-SD 3.95Å; F160-M164 WeakPolarHBondContact O-CG 3.2Å; F160-M164 PolarHBondContact O-N 2.87Å; F160-M164 VanDerWaalsContact O-N 3.16Å; M164-L166 PolarHBondContact O-N 2.99Å; M164-V167 HydrophobicContact CE-CG2 3.98Å; M164-V167 VanDerWaalsContact O-CG2 3.22Å; M164-V167 WeakPolarHBondContact O-CG2 3.25Å; M164-V167 PolarHBondContact O-N 3.11Å; M164-V167 VanDerWaalsContact O-N 3.16Å; M164-V167 HydrophobicContact SD-CG2 4.2Å; M164-G168 PolarHBondContact O-N 3.41Å; M164-W169 CarbonylContact C-O 3.55Å; M164-W169 HydrophobicContact CB-CB 4.32Å; M164-W169 HydrophobicContact CB-CE3 4.05Å; M164-W169 HydrophobicContact CG-CE3 3.69Å; M164-W169 HydrophobicContact CG-CZ3 4.21Å; M164-W169 PolarHBondContact O-N 2.93Å; M164-W169 HydrophobicContact SD-CE3 3.88Å; M164-F197 HydrophobicContact CB-CD2 4.42Å; M164-F197 HydrophobicContact CB-CE2 3.83Å |
| 165 | P | 94.7 | Very high | 95 | Very high | 4 Ų | 4 | 42.5 Ų | 42.5 | 3% | 0.026 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -62.6 | -26.2 | 175.4 | -26.4 | 35.6 | 0 | 0 | 0 | 115 | W161 A162 W169 Y172 L183 F197 | W161-P165 WeakPolarHBondContact O-CD 3.34Å; A162-P165 WeakPolarHBondContact O-CD 3.23Å; P165-W169 WeakPolarHBondContact CA-O 3.38Å; P165-Y172 HydrophobicContact CB-CD2 3.79Å; P165-Y172 HydrophobicContact CB-CE2 3.58Å; P165-Y172 HydrophobicContact CB-CG 4.4Å; P165-Y172 HydrophobicContact CG-CE2 3.94Å; P165-L183 HydrophobicContact CB-CD2 4.44Å; P165-L183 HydrophobicContact CG-CD2 3.68Å; P165-F197 HydrophobicContact CG-CE1 3.88Å; P165-F197 HydrophobicContact CG-CE2 4.2Å; P165-F197 HydrophobicContact CG-CZ 3.48Å; P165-F197 VanDerWaalsContact CG-CZ 3.48Å |
| 166 | L | 93.8 | Very high | 94.5 | Very high | 82 Ų | 82 | 39.6 Ų | 39.6 | 43% | 0.429 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -77.6 | -26.6 | 178 | -60.1 | 179.6 | 0 | 0 | 0 | 112.1 | Q105 W109 T163 M164 Y172 | Q105-L166 HydrophobicContact CB-CD2 4.08Å; W109-L166 HydrophobicContact CB-CD1 4.38Å; W109-L166 VanDerWaalsContact CD1-CD1 3.43Å; W109-L166 HydrophobicContact CG-CD1 4.03Å; T163-L166 WeakPolarHBondContact O-CB 3.47Å; T163-L166 PolarHBondContact O-N 2.97Å; M164-L166 PolarHBondContact O-N 2.99Å; L166-Y172 HydrophobicContact CD2-CD2 3.75Å; L166-Y172 HydrophobicContact CD2-CE2 3.98Å; L166-Y172 HydrophobicContact CG-CD2 4.35Å; L166-Y172 HydrophobicContact CG-CE2 4.1Å |
| 167 | V | 93.3 | Very high | 94 | Very high | 109 Ų | 109 | 33.6 Ų | 33.6 | 66% | 0.661 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.6 | 5.9 | 178.9 | -58.4 | 0 | 0 | 0 | 0 | 113 | T163 M164 | T163-V167 PolarHBondContact O-N 3.03Å; M164-V167 HydrophobicContact CE-CG2 3.98Å; M164-V167 VanDerWaalsContact O-CG2 3.22Å; M164-V167 WeakPolarHBondContact O-CG2 3.25Å; M164-V167 PolarHBondContact O-N 3.11Å; M164-V167 VanDerWaalsContact O-N 3.16Å; M164-V167 HydrophobicContact SD-CG2 4.2Å |
| 168 | G | 87.7 | Confident | 93.6 | Very high | 54 Ų | 54 | 32 Ų | 32 | 56% | 0.557 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 103.4 | 0.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | M164 | M164-G168 PolarHBondContact O-N 3.41Š|
| 169 | W | 92.3 | Very high | 93.4 | Very high | 80 Ų | 80 | 32 Ų | 32 | 30% | 0.303 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -98.8 | 88.5 | 171.1 | -168.1 | 35.8 | 0 | 0 | 0 | 109.9 | F160 W161 M164 P165 S196 F197 A200 | F160-W169 HydrophobicContact CZ-CZ3 4.35Å; W161-W169 HydrophobicContact CH2-CH2 4.42Å; W161-W169 HydrophobicContact CZ3-CH2 4.11Å; W161-W169 HydrophobicContact CZ3-CZ3 4.05Å; M164-W169 CarbonylContact C-O 3.55Å; M164-W169 HydrophobicContact CB-CB 4.32Å; M164-W169 HydrophobicContact CB-CE3 4.05Å; M164-W169 HydrophobicContact CG-CE3 3.69Å; M164-W169 HydrophobicContact CG-CZ3 4.21Å; M164-W169 PolarHBondContact O-N 2.93Å; M164-W169 HydrophobicContact SD-CE3 3.88Å; P165-W169 WeakPolarHBondContact CA-O 3.38Å; W169-S196 PolarHBondContact NE1-OG 2.93Å; W169-F197 HydrophobicContact CD2-CB 4.44Å; W169-F197 AromaticContact CD2-CD2 3.88Å; W169-F197 HydrophobicContact CD2-CD2 3.88Å; W169-F197 HydrophobicContact CE3-CD2 4.19Å; W169-F197 HydrophobicContact CG-CB 4.28Å; W169-F197 HydrophobicContact CG-CD2 4.09Å; W169-F197 WeakPolarHBondContact O-CD2 3.29Å; W169-F197 WeakPolarHBondContact O-CE2 3.49Å; W169-F197 WeakPolarHBondContact O-CG 3.36Å; W169-A200 HydrophobicContact CH2-CB 4.06Å; W169-A200 HydrophobicContact CZ2-CB 4.08Å |
| 170 | G | 91.8 | Very high | 93.3 | Very high | 5 Ų | 5 | 30.5 Ų | 30.5 | 5% | 0.052 | 17% | 0.171 | C | C | . | . | S | Bend | trans | 98.6 | -179.5 | -166.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 171 | H | 91.9 | Very high | 93.2 | Very high | 54 Ų | 54 | 26.1 Ų | 26.1 | 25% | 0.25 | 15% | 0.153 | C | C | . | . | trans | -150.6 | 155.6 | 175.6 | -157.8 | 61.1 | 0 | 0 | 0 | 111.9 | W101 D184 L187 | W101-H171 AromaticContact CE2-NE2 3.97Å; W101-H171 AromaticContact CZ2-NE2 3.37Å; W101-H171 WeakPolarHBondContact CZ2-NE2 3.37Å; W101-H171 AromaticContact NE1-NE2 3.94Å; H171-D184 HydrophobicContact CB-CB 4.06Å; H171-D184 PolarHBondContact O-N 2.85Å; H171-L187 HydrophobicContact CB-CD2 3.83Å | ||
| 172 | Y | 94.5 | Very high | 93 | Very high | 2 Ų | 2 | 26.7 Ų | 26.7 | 1% | 0.008 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 131.3 | 168.4 | -71 | -65.5 | 0 | 0 | 0 | 109.5 | G108 W109 F112 A162 P165 L166 T182 L183 | G108-Y172 VanDerWaalsContact O-CE1 3.29Å; G108-Y172 WeakPolarHBondContact O-CE1 3.39Å; W109-Y172 WeakPolarHBondContact CA-OH 3.38Å; W109-Y172 HydrophobicContact CB-CE2 3.92Å; F112-Y172 HydrophobicContact CB-CE1 4.35Å; A162-Y172 PolarHBondContact O-OH 2.94Å; P165-Y172 HydrophobicContact CB-CD2 3.79Å; P165-Y172 HydrophobicContact CB-CE2 3.58Å; P165-Y172 HydrophobicContact CB-CG 4.4Å; P165-Y172 HydrophobicContact CG-CE2 3.94Å; L166-Y172 HydrophobicContact CD2-CD2 3.75Å; L166-Y172 HydrophobicContact CD2-CE2 3.98Å; L166-Y172 HydrophobicContact CG-CD2 4.35Å; L166-Y172 HydrophobicContact CG-CE2 4.1Å; Y172-T182 CarbonylContact C-O 3.5Å; Y172-T182 VanDerWaalsContact CA-O 3.31Å; Y172-T182 WeakPolarHBondContact CA-O 3.27Å; Y172-L183 HydrophobicContact CD1-CD2 3.83Å; Y172-L183 HydrophobicContact CD1-CG 4.45Å; Y172-L183 HydrophobicContact CE1-CD2 3.33Å; Y172-L183 HydrophobicContact CE1-CG 4.04Å |
| 173 | A | 92.6 | Very high | 92.8 | Very high | 2 Ų | 2 | 27.1 Ų | 27.1 | 2% | 0.017 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 161.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y15 W101 C181 T182 D184 | Y15-A173 HydrophobicContact CD1-CB 3.98Å; Y15-A173 HydrophobicContact CE1-CB 3.51Å; W101-A173 HydrophobicContact CH2-CB 4.48Å; A173-C181 CarbonylContact O-C 3.53Å; A173-C181 VanDerWaalsContact O-CA 3.29Å; A173-C181 WeakPolarHBondContact O-CA 3.42Å; A173-T182 PolarHBondContact N-O 3.49Å; A173-T182 PolarHBondContact O-N 3.49Å; A173-T182 VanDerWaalsContact O-O 3.1Å; A173-D184 HydrophobicContact CB-CB 3.81Å |
| 174 | P | 92.6 | Very high | 92.5 | Very high | 13 Ų | 13 | 25.3 Ų | 25.3 | 8% | 0.084 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.6 | 140.6 | 171.9 | -25.1 | 35.8 | 0 | 0 | 0 | 112.2 | P21 F22 W101 S180 | P21-P174 HydrophobicContact CB-CG 4.41Å; F22-P174 HydrophobicContact CD1-CG 3.94Å; F22-P174 HydrophobicContact CE1-CG 3.64Å; W101-P174 HydrophobicContact CH2-CG 4.46Å; W101-P174 HydrophobicContact CZ3-CG 3.92Å; P174-S180 WeakPolarHBondContact CA-O 3.3Å |
| 175 | E | 91.2 | Very high | 92.2 | Very high | 9 Ų | 9 | 25 Ų | 25 | 4% | 0.042 | 15% | 0.145 | C | C | . | . | trans | -66.6 | 157.3 | 170.6 | -63.7 | -160 | 79.3 | 0 | 0 | 110.5 | F177 G178 S180 T182 T290 K294 | E175-F177 HydrophobicContact CB-CD1 3.97Å; E175-F177 HydrophobicContact CB-CE1 3.52Å; E175-F177 HydrophobicContact CB-CE2 4.15Å; E175-F177 HydrophobicContact CB-CG 4.48Å; E175-F177 HydrophobicContact CB-CZ 3.64Å; E175-F177 VanDerWaalsContact CD-CZ 3.47Å; E175-F177 HydrophobicContact CG-CE1 4.17Å; E175-F177 HydrophobicContact CG-CZ 4.06Å; E175-F177 PolarHBondContact O-N 3.19Å; E175-F177 VanDerWaalsContact OE2-CZ 3.3Å; E175-F177 WeakPolarHBondContact OE2-CZ 3.47Å; E175-G178 PolarHBondContact O-N 2.89Å; E175-S180 PolarHBondContact N-O 3.08Å; E175-S180 WeakPolarHBondContact OE2-CB 3.47Å; E175-S180 PolarHBondContact OE2-OG 3.41Å; E175-T182 HydrophobicContact CG-CG2 3.61Å; E175-T290 WeakPolarHBondContact OE1-CG2 3.33Å; E175-T290 PolarHBondContact OE1-OG1 3.27Å; E175-T290 WeakPolarHBondContact OE2-CG2 3.37Å; E175-K294 IonicContact OE2-NZ 2.63Å; E175-K294 PolarHBondContact OE2-NZ 2.93Å | ||
| 176 | P | 87.1 | Confident | 91.7 | Very high | 35 Ų | 35 | 26.3 Ų | 26.3 | 23% | 0.227 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -24.6 | -175.1 | -28.8 | 35.9 | 0 | 0 | 0 | 115.6 | W186 | P176-W186 HydrophobicContact CG-CH2 3.4Å; P176-W186 VanDerWaalsContact CG-CH2 3.4Å; P176-W186 HydrophobicContact CG-CZ2 4.23Å; P176-W186 HydrophobicContact CG-CZ3 3.99Å |
| 177 | F | 89.2 | Confident | 91.2 | Very high | 1 Ų | 1 | 24.2 Ų | 24.2 | 0% | 0.004 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90 | -8.1 | 178.4 | 56.1 | -97.1 | 0 | 0 | 0 | 114.2 | S24 R25 L26 F88 E175 T179 S180 I283 V287 T290 | S24-F177 VanDerWaalsContact CA-O 3.29Å; S24-F177 WeakPolarHBondContact CA-O 3.36Å; S24-F177 PolarHBondContact OG-O 3.18Å; R25-F177 PolarHBondContact N-O 3.07Å; L26-F177 HydrophobicContact CD1-CB 3.99Å; L26-F177 HydrophobicContact CD1-CD2 4.42Å; L26-F177 HydrophobicContact CD1-CG 4.4Å; L26-F177 HydrophobicContact CD2-CB 4.38Å; L26-F177 HydrophobicContact CG-CB 3.92Å; F88-F177 AromaticContact CE2-CE2 3.88Å; F88-F177 HydrophobicContact CE2-CE2 3.88Å; F88-F177 HydrophobicContact CE2-CZ 4.34Å; E175-F177 HydrophobicContact CB-CD1 3.97Å; E175-F177 HydrophobicContact CB-CE1 3.52Å; E175-F177 HydrophobicContact CB-CE2 4.15Å; E175-F177 HydrophobicContact CB-CG 4.48Å; E175-F177 HydrophobicContact CB-CZ 3.64Å; E175-F177 VanDerWaalsContact CD-CZ 3.47Å; E175-F177 HydrophobicContact CG-CE1 4.17Å; E175-F177 HydrophobicContact CG-CZ 4.06Å; E175-F177 PolarHBondContact O-N 3.19Å; E175-F177 VanDerWaalsContact OE2-CZ 3.3Å; E175-F177 WeakPolarHBondContact OE2-CZ 3.47Å; F177-T179 VanDerWaalsContact CD2-OG1 3.22Å; F177-T179 WeakPolarHBondContact CD2-OG1 3.25Å; F177-T179 WeakPolarHBondContact CE2-OG1 3.34Å; F177-T179 PolarHBondContact O-N 3.32Å; F177-S180 WeakPolarHBondContact CE2-OG 3.28Å; F177-S180 WeakPolarHBondContact CZ-OG 3.2Å; F177-I283 HydrophobicContact CB-CG2 3.88Å; F177-V287 HydrophobicContact CD1-CB 4.15Å; F177-V287 HydrophobicContact CD1-CG2 4.34Å; F177-V287 HydrophobicContact CE1-CB 4.49Å; F177-V287 HydrophobicContact CE1-CG2 4.47Å; F177-T290 HydrophobicContact CE1-CG2 4.05Å; F177-T290 HydrophobicContact CZ-CG2 3.92Å |
| 178 | G | 90.2 | Very high | 90.6 | Very high | 2 Ų | 2 | 19.2 Ų | 19.2 | 2% | 0.021 | 11% | 0.109 | C | C | . | . | S | Bend | trans | 86.6 | -5.4 | 165 | 0 | 0 | 0 | 0 | 0 | 117.9 | W97 E175 | W97-G178 WeakPolarHBondContact CB-O 3.46Å; E175-G178 PolarHBondContact O-N 2.89Å |
| 179 | T | 93.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -107.1 | 1.8 | -175.6 | 56.9 | 0 | 0 | 0 | 0 | 115 | S91 F177 | S91-T179 WeakPolarHBondContact CB-O 3.41Å; F177-T179 VanDerWaalsContact CD2-OG1 3.22Å; F177-T179 WeakPolarHBondContact CD2-OG1 3.25Å; F177-T179 WeakPolarHBondContact CE2-OG1 3.34Å; F177-T179 PolarHBondContact O-N 3.32Å |
| 180 | S | 95.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -145.8 | 172.9 | 165.5 | 34.2 | 0 | 0 | 0 | 0 | 111.6 | P174 E175 F177 | P174-S180 WeakPolarHBondContact CA-O 3.3Å; E175-S180 PolarHBondContact N-O 3.08Å; E175-S180 WeakPolarHBondContact OE2-CB 3.47Å; E175-S180 PolarHBondContact OE2-OG 3.41Å; F177-S180 WeakPolarHBondContact CE2-OG 3.28Å; F177-S180 WeakPolarHBondContact CZ-OG 3.2Å |
| 181 | C | 95.5 | Very high | 89.1 | Confident | 3 Ų | 3 | 19.4 Ų | 19.4 | 2% | 0.02 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 152 | 175.6 | -62.1 | 0 | 0 | 0 | 0 | 112 | C104 Y107 A173 | C104-C181 WeakPolarHBondContact CA-SG 3.46Å; C104-C181 HydrophobicContact CB-CB 3.95Å; C104-C181 WeakPolarHBondContact CB-SG 3.46Å; C104-C181 VanDerWaalsContact O-CB 3.3Å; C104-C181 WeakPolarHBondContact O-CB 3.15Å; C104-C181 WeakPolarHBondContact SG-CB 3.32Å; C104-C181 CovalentContact SG-SG 2.01Å; C104-C181 PolarHBondContact SG-SG 2.84Å; Y107-C181 HydrophobicContact CD1-CB 4.06Å; Y107-C181 WeakPolarHBondContact CD1-O 3.44Å; Y107-C181 WeakPolarHBondContact CE1-O 3.05Å; A173-C181 CarbonylContact O-C 3.53Å; A173-C181 VanDerWaalsContact O-CA 3.29Å; A173-C181 WeakPolarHBondContact O-CA 3.42Å |
| 182 | T | 95.1 | Very high | 88.9 | Confident | 26 Ų | 26 | 22.6 Ų | 22.6 | 16% | 0.16 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152 | -171.5 | 179 | -162.2 | 0 | 0 | 0 | 0 | 110 | Y172 A173 E175 Y266 | Y172-T182 CarbonylContact C-O 3.5Å; Y172-T182 VanDerWaalsContact CA-O 3.31Å; Y172-T182 WeakPolarHBondContact CA-O 3.27Å; A173-T182 PolarHBondContact N-O 3.49Å; A173-T182 PolarHBondContact O-N 3.49Å; A173-T182 VanDerWaalsContact O-O 3.1Å; E175-T182 HydrophobicContact CG-CG2 3.61Å; T182-Y266 WeakPolarHBondContact CG2-OH 3.37Å; T182-Y266 PolarHBondContact OG1-OH 2.99Å |
| 183 | L | 93.9 | Very high | 88.5 | Confident | 10 Ų | 10 | 24.9 Ų | 24.9 | 5% | 0.052 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 137.7 | 171.2 | -65.5 | 172 | 0 | 0 | 0 | 110.7 | F112 P165 Y172 W185 F197 I201 | F112-L183 HydrophobicContact CD1-CD1 4.09Å; F112-L183 HydrophobicContact CD1-CD2 4.17Å; F112-L183 HydrophobicContact CD2-CD1 4.3Å; F112-L183 HydrophobicContact CE1-CD1 4.03Å; F112-L183 HydrophobicContact CE1-CD2 4.5Å; F112-L183 HydrophobicContact CE2-CD1 4.23Å; F112-L183 HydrophobicContact CG-CD1 4.26Å; F112-L183 HydrophobicContact CZ-CD1 4.11Å; P165-L183 HydrophobicContact CB-CD2 4.44Å; P165-L183 HydrophobicContact CG-CD2 3.68Å; Y172-L183 HydrophobicContact CD1-CD2 3.83Å; Y172-L183 HydrophobicContact CD1-CG 4.45Å; Y172-L183 HydrophobicContact CE1-CD2 3.33Å; Y172-L183 HydrophobicContact CE1-CG 4.04Å; L183-W185 HydrophobicContact CB-CD2 4.49Å; L183-W185 HydrophobicContact CB-CZ2 4.13Å; L183-W185 HydrophobicContact CD1-CH2 4.03Å; L183-W185 HydrophobicContact CD1-CZ2 4.2Å; L183-W185 PolarHBondContact O-N 3.12Å; L183-W185 PolarHBondContact O-NE1 3.17Å; L183-F197 HydrophobicContact CD1-CE1 4.43Å; L183-F197 HydrophobicContact CD2-CE1 3.95Å; L183-F197 HydrophobicContact CD2-CZ 4.28Å; L183-I201 HydrophobicContact CD1-CD1 3.47Å; L183-I201 VanDerWaalsContact CD1-CD1 3.47Å |
| 184 | D | 91.3 | Very high | 88.3 | Confident | 8 Ų | 8 | 24.9 Ų | 24.9 | 4% | 0.043 | 15% | 0.147 | C | C | . | . | trans | -74.5 | 88.4 | 175.8 | -168.2 | -11.3 | 0 | 0 | 0 | 110.1 | Y15 H171 A173 W186 L187 | Y15-D184 WeakPolarHBondContact CE1-OD2 3.31Å; Y15-D184 PolarHBondContact OH-OD2 3.45Å; H171-D184 HydrophobicContact CB-CB 4.06Å; H171-D184 PolarHBondContact O-N 2.85Å; A173-D184 HydrophobicContact CB-CB 3.81Å; D184-W186 VanDerWaalsContact C-N 3.27Å; D184-W186 PolarHBondContact O-N 2.94Å; D184-W186 PolarHBondContact OD1-N 2.98Å; D184-L187 HydrophobicContact CB-CB 4.11Å; D184-L187 VanDerWaalsContact O-CB 3.31Å; D184-L187 WeakPolarHBondContact O-CB 3.41Å; D184-L187 PolarHBondContact O-N 3.06Å; D184-L187 PolarHBondContact OD1-N 2.89Å | ||
| 185 | W | 89.2 | Confident | 88.2 | Confident | 25 Ų | 25 | 28.3 Ų | 28.3 | 10% | 0.095 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -32 | -179.4 | -58.2 | 109.9 | 0 | 0 | 0 | 112.6 | L183 L187 A188 V198 I201 Y266 S270 A274 | L183-W185 HydrophobicContact CB-CD2 4.49Å; L183-W185 HydrophobicContact CB-CZ2 4.13Å; L183-W185 HydrophobicContact CD1-CH2 4.03Å; L183-W185 HydrophobicContact CD1-CZ2 4.2Å; L183-W185 PolarHBondContact O-N 3.12Å; L183-W185 PolarHBondContact O-NE1 3.17Å; W185-L187 VanDerWaalsContact C-N 3.27Å; W185-L187 PolarHBondContact O-N 3.16Å; W185-A188 WeakPolarHBondContact O-CB 3.29Å; W185-A188 PolarHBondContact O-N 3.21Å; W185-V198 HydrophobicContact CE3-CG1 4.16Å; W185-V198 HydrophobicContact CE3-CG2 4.23Å; W185-V198 HydrophobicContact CZ3-CG1 4.29Å; W185-I201 HydrophobicContact CH2-CD1 3.88Å; W185-I201 HydrophobicContact CZ3-CD1 3.66Å; W185-I201 HydrophobicContact CZ3-CG1 4.5Å; W185-Y266 HydrophobicContact CZ2-CE1 4.13Å; W185-Y266 PolarHBondContact NE1-OH 3.01Å; W185-S270 VanDerWaalsContact CE2-CB 3.43Å; W185-S270 PolarHBondContact NE1-OG 2.78Å; W185-A274 HydrophobicContact CB-CB 4.43Å; W185-A274 WeakPolarHBondContact O-CA 3.46Å |
| 186 | W | 84.4 | Confident | 88.3 | Confident | 33 Ų | 33 | 30.2 Ų | 30.2 | 13% | 0.125 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | -18 | -179 | -70.7 | -94.4 | 0 | 0 | 0 | 112.8 | Y11 H14 P176 D184 A188 Q189 A190 | Y11-W186 HydrophobicContact CE2-CB 4.27Å; Y11-W186 WeakPolarHBondContact OH-CB 3.48Å; H14-W186 AromaticContact CD2-CD1 3.71Å; H14-W186 AromaticContact CD2-NE1 3.59Å; P176-W186 HydrophobicContact CG-CH2 3.4Å; P176-W186 VanDerWaalsContact CG-CH2 3.4Å; P176-W186 HydrophobicContact CG-CZ2 4.23Å; P176-W186 HydrophobicContact CG-CZ3 3.99Å; D184-W186 VanDerWaalsContact C-N 3.27Å; D184-W186 PolarHBondContact O-N 2.94Å; D184-W186 PolarHBondContact OD1-N 2.98Å; W186-A188 PolarHBondContact O-N 3.38Å; W186-A188 VanDerWaalsContact O-N 3.11Å; W186-Q189 WeakPolarHBondContact O-CB 3.49Å; W186-Q189 PolarHBondContact O-N 3.14Å; W186-A190 PolarHBondContact O-N 3.3Å |
| 187 | L | 82.1 | Confident | 88.7 | Confident | 37 Ų | 37 | 28.8 Ų | 28.8 | 19% | 0.194 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -58.1 | -23.4 | 171.6 | -167.7 | 68.3 | 0 | 0 | 0 | 112.2 | H171 D184 W185 Q189 A190 S191 | H171-L187 HydrophobicContact CB-CD2 3.83Å; D184-L187 HydrophobicContact CB-CB 4.11Å; D184-L187 VanDerWaalsContact O-CB 3.31Å; D184-L187 WeakPolarHBondContact O-CB 3.41Å; D184-L187 PolarHBondContact O-N 3.06Å; D184-L187 PolarHBondContact OD1-N 2.89Å; W185-L187 VanDerWaalsContact C-N 3.27Å; W185-L187 PolarHBondContact O-N 3.16Å; L187-Q189 VanDerWaalsContact C-N 3.27Å; L187-Q189 PolarHBondContact O-N 3.02Å; L187-A190 HydrophobicContact CD1-CB 4.25Å; L187-A190 WeakPolarHBondContact O-CB 3.37Å; L187-A190 PolarHBondContact O-N 3Å; L187-S191 PolarHBondContact O-N 2.87Å; L187-S191 VanDerWaalsContact O-N 3.12Å; L187-S191 PolarHBondContact O-OG 3.05Å |
| 188 | A | 80.9 | Confident | 88.9 | Confident | 5 Ų | 5 | 28.9 Ų | 28.9 | 4% | 0.041 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.8 | -30 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | W185 W186 Q195 V198 A274 | W185-A188 WeakPolarHBondContact O-CB 3.29Å; W185-A188 PolarHBondContact O-N 3.21Å; W186-A188 PolarHBondContact O-N 3.38Å; W186-A188 VanDerWaalsContact O-N 3.11Å; A188-Q195 WeakPolarHBondContact O-CB 3.33Å; A188-V198 HydrophobicContact CB-CB 4.01Å; A188-V198 HydrophobicContact CB-CG1 4.35Å; A188-V198 HydrophobicContact CB-CG2 3.91Å; A188-A274 HydrophobicContact CB-CB 4.02Å |
| 189 | Q | 78.6 | Confident | 89.1 | Confident | 66 Ų | 66 | 32.9 Ų | 32.9 | 31% | 0.308 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -81.9 | -24.3 | 175.7 | -53.8 | -174.8 | 13.1 | 0 | 0 | 111.7 | W186 L187 S273 A274 G276 | W186-Q189 WeakPolarHBondContact O-CB 3.49Å; W186-Q189 PolarHBondContact O-N 3.14Å; L187-Q189 VanDerWaalsContact C-N 3.27Å; L187-Q189 PolarHBondContact O-N 3.02Å; Q189-S273 PolarHBondContact NE2-O 3.48Å; Q189-A274 WeakPolarHBondContact CG-O 3.35Å; Q189-G276 PolarHBondContact NE2-O 3.32Å |
| 190 | A | 78.9 | Confident | 89.2 | Confident | 35 Ų | 35 | 33.7 Ų | 33.7 | 29% | 0.289 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -87.2 | -33.7 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y11 W186 L187 | Y11-A190 HydrophobicContact CD1-CB 3.1Å; Y11-A190 HydrophobicContact CD2-CB 3.58Å; Y11-A190 HydrophobicContact CE1-CB 3.42Å; Y11-A190 VanDerWaalsContact CE1-CB 3.42Å; Y11-A190 HydrophobicContact CE2-CB 3.89Å; Y11-A190 HydrophobicContact CG-CB 3.17Å; W186-A190 PolarHBondContact O-N 3.3Å; L187-A190 HydrophobicContact CD1-CB 4.25Å; L187-A190 WeakPolarHBondContact O-CB 3.37Å; L187-A190 PolarHBondContact O-N 3Å |
| 191 | S | 83.9 | Confident | 89.2 | Confident | 42 Ų | 42 | 34 Ų | 34 | 29% | 0.294 | 20% | 0.196 | S | C | . | . | trans | -150.9 | 145.4 | -166 | 70.3 | 0 | 0 | 0 | 0 | 112.1 | L187 S193 G194 Q195 | L187-S191 PolarHBondContact O-N 2.87Å; L187-S191 VanDerWaalsContact O-N 3.12Å; L187-S191 PolarHBondContact O-OG 3.05Å; S191-S193 PolarHBondContact O-N 3.33Å; S191-G194 PolarHBondContact O-N 3.49Å; S191-G194 PolarHBondContact OG-N 2.95Å; S191-Q195 WeakPolarHBondContact O-CB 3.35Å; S191-Q195 PolarHBondContact O-N 3.39Å | ||
| 192 | V | 86.6 | Confident | 89.1 | Confident | 120 Ų | 120 | 35 Ų | 35 | 73% | 0.727 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -61.4 | -36.8 | 174.6 | -179.7 | 0 | 0 | 0 | 0 | 111.1 | Q195 S196 | V192-Q195 PolarHBondContact O-N 3.29Å; V192-S196 WeakPolarHBondContact O-CB 3.2Å; V192-S196 PolarHBondContact O-N 3.47Å; V192-S196 PolarHBondContact O-OG 3.37Å |
| 193 | S | 87.6 | Confident | 89.2 | Confident | 51 Ų | 51 | 38.9 Ų | 38.9 | 36% | 0.357 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -60.7 | -51.6 | 175 | -179.4 | 0 | 0 | 0 | 0 | 111.3 | S191 Q195 S196 F197 | S191-S193 PolarHBondContact O-N 3.33Å; S193-Q195 VanDerWaalsContact C-N 3.35Å; S193-Q195 PolarHBondContact O-N 3.45Å; S193-S196 PolarHBondContact O-N 3.28Å; S193-S196 PolarHBondContact O-OG 2.74Å; S193-F197 PolarHBondContact O-N 3.35Å |
| 194 | G | 87.9 | Confident | 89.4 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.3 | -42.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | S191 F197 V198 | S191-G194 PolarHBondContact O-N 3.49Å; S191-G194 PolarHBondContact OG-N 2.95Å; G194-F197 PolarHBondContact O-N 3.08Å; G194-V198 WeakPolarHBondContact O-CG2 3.49Å; G194-V198 PolarHBondContact O-N 3.09Å |
| 195 | Q | 90 | Very high | 89.6 | Confident | 85 Ų | 85 | 42.6 Ų | 42.6 | 40% | 0.397 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.9 | -46.2 | 178.8 | -165.7 | -178.2 | -0.6 | 0 | 0 | 111.2 | A188 S191 V192 S193 F197 V198 L199 F275 | A188-Q195 WeakPolarHBondContact O-CB 3.33Å; S191-Q195 WeakPolarHBondContact O-CB 3.35Å; S191-Q195 PolarHBondContact O-N 3.39Å; V192-Q195 PolarHBondContact O-N 3.29Å; S193-Q195 VanDerWaalsContact C-N 3.35Å; S193-Q195 PolarHBondContact O-N 3.45Å; Q195-F197 VanDerWaalsContact C-N 3.32Å; Q195-F197 PolarHBondContact O-N 3.32Å; Q195-V198 PolarHBondContact O-N 2.89Å; Q195-L199 HydrophobicContact CG-CD1 4.26Å; Q195-L199 WeakPolarHBondContact O-CB 3.45Å; Q195-L199 WeakPolarHBondContact O-CG 3.43Å; Q195-L199 PolarHBondContact O-N 3.37Å; Q195-F275 HydrophobicContact CG-CE1 4.31Å |
| 196 | S | 94.2 | Very high | 89.8 | Confident | 50 Ų | 50 | 43.7 Ų | 43.7 | 35% | 0.35 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.4 | -41.2 | 177.7 | 73.2 | 0 | 0 | 0 | 0 | 112 | W169 V192 S193 A200 | W169-S196 PolarHBondContact NE1-OG 2.93Å; V192-S196 WeakPolarHBondContact O-CB 3.2Å; V192-S196 PolarHBondContact O-N 3.47Å; V192-S196 PolarHBondContact O-OG 3.37Å; S193-S196 PolarHBondContact O-N 3.28Å; S193-S196 PolarHBondContact O-OG 2.74Å; S196-A200 VanDerWaalsContact O-CB 3.27Å; S196-A200 WeakPolarHBondContact O-CB 3.33Å; S196-A200 PolarHBondContact O-N 2.94Å |
| 197 | F | 93.8 | Very high | 90.4 | Very high | 4 Ų | 4 | 46.2 Ų | 46.2 | 2% | 0.018 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.9 | -48.5 | 177.9 | 178.1 | -105.1 | 0 | 0 | 0 | 111.6 | F112 W161 M164 P165 W169 L183 S193 G194 Q195 L199 A200 I201 | F112-F197 HydrophobicContact CE1-CZ 4.37Å; W161-F197 HydrophobicContact CE3-CE2 4.3Å; M164-F197 HydrophobicContact CB-CD2 4.42Å; M164-F197 HydrophobicContact CB-CE2 3.83Å; P165-F197 HydrophobicContact CG-CE1 3.88Å; P165-F197 HydrophobicContact CG-CE2 4.2Å; P165-F197 HydrophobicContact CG-CZ 3.48Å; P165-F197 VanDerWaalsContact CG-CZ 3.48Å; W169-F197 HydrophobicContact CD2-CB 4.44Å; W169-F197 AromaticContact CD2-CD2 3.88Å; W169-F197 HydrophobicContact CD2-CD2 3.88Å; W169-F197 HydrophobicContact CE3-CD2 4.19Å; W169-F197 HydrophobicContact CG-CB 4.28Å; W169-F197 HydrophobicContact CG-CD2 4.09Å; W169-F197 WeakPolarHBondContact O-CD2 3.29Å; W169-F197 WeakPolarHBondContact O-CE2 3.49Å; W169-F197 WeakPolarHBondContact O-CG 3.36Å; L183-F197 HydrophobicContact CD1-CE1 4.43Å; L183-F197 HydrophobicContact CD2-CE1 3.95Å; L183-F197 HydrophobicContact CD2-CZ 4.28Å; S193-F197 PolarHBondContact O-N 3.35Å; G194-F197 PolarHBondContact O-N 3.08Å; Q195-F197 VanDerWaalsContact C-N 3.32Å; Q195-F197 PolarHBondContact O-N 3.32Å; F197-L199 PolarHBondContact O-N 3.11Å; F197-A200 WeakPolarHBondContact O-CB 3.36Å; F197-A200 PolarHBondContact O-N 3.07Å; F197-A200 VanDerWaalsContact O-N 3.14Å; F197-I201 HydrophobicContact CD1-CD1 4.35Å; F197-I201 HydrophobicContact CD2-CG2 4.23Å; F197-I201 HydrophobicContact CE1-CD1 3.87Å; F197-I201 HydrophobicContact CE1-CG2 3.99Å; F197-I201 HydrophobicContact CE2-CG2 3.66Å; F197-I201 HydrophobicContact CZ-CD1 4.39Å; F197-I201 HydrophobicContact CZ-CG2 3.52Å; F197-I201 WeakPolarHBondContact O-CG1 3.17Å; F197-I201 PolarHBondContact O-N 3.4Å |
| 198 | V | 93.3 | Very high | 91.1 | Very high | 3 Ų | 3 | 47.9 Ų | 47.9 | 2% | 0.018 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.3 | -44.1 | 179.3 | 170.1 | 0 | 0 | 0 | 0 | 111.1 | W185 A188 G194 Q195 A200 I201 L202 A274 F275 | W185-V198 HydrophobicContact CE3-CG1 4.16Å; W185-V198 HydrophobicContact CE3-CG2 4.23Å; W185-V198 HydrophobicContact CZ3-CG1 4.29Å; A188-V198 HydrophobicContact CB-CB 4.01Å; A188-V198 HydrophobicContact CB-CG1 4.35Å; A188-V198 HydrophobicContact CB-CG2 3.91Å; G194-V198 WeakPolarHBondContact O-CG2 3.49Å; G194-V198 PolarHBondContact O-N 3.09Å; Q195-V198 PolarHBondContact O-N 2.89Å; V198-A200 VanDerWaalsContact C-N 3.33Å; V198-A200 PolarHBondContact O-N 3.45Å; V198-I201 WeakPolarHBondContact O-CG1 3.26Å; V198-I201 PolarHBondContact O-N 2.92Å; V198-L202 HydrophobicContact CG1-CD1 3.79Å; V198-L202 HydrophobicContact CG1-CG 4.27Å; V198-L202 WeakPolarHBondContact O-CB 3.38Å; V198-L202 WeakPolarHBondContact O-CG 3.37Å; V198-L202 PolarHBondContact O-N 3.39Å; V198-A274 HydrophobicContact CG1-CB 3.85Å; V198-F275 HydrophobicContact CG1-CE2 4.18Å; V198-F275 HydrophobicContact CG1-CZ 4.1Å |
| 199 | L | 94.2 | Very high | 92 | Very high | 87 Ų | 87 | 47.9 Ų | 47.9 | 46% | 0.455 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.3 | -41.6 | 174.4 | -72 | 172.8 | 0 | 0 | 0 | 112 | Q195 F197 L202 F203 F275 | Q195-L199 HydrophobicContact CG-CD1 4.26Å; Q195-L199 WeakPolarHBondContact O-CB 3.45Å; Q195-L199 WeakPolarHBondContact O-CG 3.43Å; Q195-L199 PolarHBondContact O-N 3.37Å; F197-L199 PolarHBondContact O-N 3.11Å; L199-L202 PolarHBondContact O-N 2.91Å; L199-F203 PolarHBondContact O-N 3.43Å; L199-F275 HydrophobicContact CD2-CE1 4.13Å; L199-F275 HydrophobicContact CD2-CE2 4.37Å; L199-F275 HydrophobicContact CD2-CZ 3.53Å; L199-F275 HydrophobicContact CG-CE1 4.42Å; L199-F275 HydrophobicContact CG-CZ 3.98Å |
| 200 | A | 96.1 | Very high | 92.8 | Very high | 16 Ų | 16 | 45.6 Ų | 45.6 | 13% | 0.132 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.1 | -48.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | W161 W169 S196 F197 V198 L202 F203 F204 | W161-A200 HydrophobicContact CH2-CB 3.89Å; W161-A200 HydrophobicContact CZ3-CB 3.88Å; W169-A200 HydrophobicContact CH2-CB 4.06Å; W169-A200 HydrophobicContact CZ2-CB 4.08Å; S196-A200 VanDerWaalsContact O-CB 3.27Å; S196-A200 WeakPolarHBondContact O-CB 3.33Å; S196-A200 PolarHBondContact O-N 2.94Å; F197-A200 WeakPolarHBondContact O-CB 3.36Å; F197-A200 PolarHBondContact O-N 3.07Å; F197-A200 VanDerWaalsContact O-N 3.14Å; V198-A200 VanDerWaalsContact C-N 3.33Å; V198-A200 PolarHBondContact O-N 3.45Å; A200-L202 PolarHBondContact O-N 2.83Å; A200-F203 PolarHBondContact O-N 3.37Å; A200-F204 HydrophobicContact CB-CD2 4.46Å; A200-F204 WeakPolarHBondContact O-CB 3.36Å; A200-F204 WeakPolarHBondContact O-CD2 3.41Å; A200-F204 PolarHBondContact O-N 2.65Å |
| 201 | I | 95.8 | Very high | 93.7 | Very high | 7 Ų | 7 | 45.8 Ų | 45.8 | 4% | 0.036 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67.8 | -34.8 | 178.4 | 64.2 | 177.2 | 0 | 0 | 0 | 112.2 | F112 W161 L183 W185 F197 V198 F203 C205 L206 | F112-I201 HydrophobicContact CE1-CG2 4.29Å; F112-I201 HydrophobicContact CZ-CB 4.29Å; F112-I201 HydrophobicContact CZ-CG2 3.95Å; W161-I201 HydrophobicContact CD2-CG2 4.49Å; W161-I201 HydrophobicContact CE3-CG2 3.67Å; W161-I201 HydrophobicContact CZ3-CG2 3.99Å; L183-I201 HydrophobicContact CD1-CD1 3.47Å; L183-I201 VanDerWaalsContact CD1-CD1 3.47Å; W185-I201 HydrophobicContact CH2-CD1 3.88Å; W185-I201 HydrophobicContact CZ3-CD1 3.66Å; W185-I201 HydrophobicContact CZ3-CG1 4.5Å; F197-I201 HydrophobicContact CD1-CD1 4.35Å; F197-I201 HydrophobicContact CD2-CG2 4.23Å; F197-I201 HydrophobicContact CE1-CD1 3.87Å; F197-I201 HydrophobicContact CE1-CG2 3.99Å; F197-I201 HydrophobicContact CE2-CG2 3.66Å; F197-I201 HydrophobicContact CZ-CD1 4.39Å; F197-I201 HydrophobicContact CZ-CG2 3.52Å; F197-I201 WeakPolarHBondContact O-CG1 3.17Å; F197-I201 PolarHBondContact O-N 3.4Å; V198-I201 WeakPolarHBondContact O-CG1 3.26Å; V198-I201 PolarHBondContact O-N 2.92Å; I201-F203 VanDerWaalsContact C-N 3.32Å; I201-F203 PolarHBondContact O-N 3.43Å; I201-C205 HydrophobicContact CB-CB 4.41Å; I201-C205 CarbonylContact O-C 3.14Å; I201-C205 VanDerWaalsContact O-CA 3.25Å; I201-C205 WeakPolarHBondContact O-CA 3.22Å; I201-C205 WeakPolarHBondContact O-CB 3.49Å; I201-C205 PolarHBondContact O-N 2.96Å; I201-L206 PolarHBondContact O-N 3.4Å |
| 202 | L | 94.3 | Very high | 94.4 | Very high | 24 Ų | 24 | 46 Ų | 46 | 13% | 0.126 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.5 | -41.7 | 176.1 | -74.5 | 172.5 | 0 | 0 | 0 | 110.8 | V198 L199 A200 L206 V207 V271 F275 | V198-L202 HydrophobicContact CG1-CD1 3.79Å; V198-L202 HydrophobicContact CG1-CG 4.27Å; V198-L202 WeakPolarHBondContact O-CB 3.38Å; V198-L202 WeakPolarHBondContact O-CG 3.37Å; V198-L202 PolarHBondContact O-N 3.39Å; L199-L202 PolarHBondContact O-N 2.91Å; A200-L202 PolarHBondContact O-N 2.83Å; L202-L206 HydrophobicContact CD2-CD2 4.12Å; L202-L206 WeakPolarHBondContact O-CB 3.27Å; L202-L206 PolarHBondContact O-N 3.09Å; L202-V207 WeakPolarHBondContact O-CG2 3.49Å; L202-V207 PolarHBondContact O-N 2.94Å; L202-V271 HydrophobicContact CD1-CG2 3.9Å; L202-V271 HydrophobicContact CD2-CG2 3.54Å; L202-V271 HydrophobicContact CG-CG2 4.4Å; L202-F275 HydrophobicContact CD1-CE2 3.73Å; L202-F275 HydrophobicContact CD1-CZ 4.36Å |
| 203 | F | 96.5 | Very high | 94.9 | Very high | 107 Ų | 107 | 40.5 Ų | 40.5 | 47% | 0.469 | 23% | 0.229 | S | C | . | . | I | π-helix | trans | -72.4 | -58.1 | 177 | -177.7 | -104 | 0 | 0 | 0 | 111.9 | L199 A200 I201 V207 L208 | L199-F203 PolarHBondContact O-N 3.43Å; A200-F203 PolarHBondContact O-N 3.37Å; I201-F203 VanDerWaalsContact C-N 3.32Å; I201-F203 PolarHBondContact O-N 3.43Å; F203-V207 PolarHBondContact O-N 3.42Å; F203-L208 VanDerWaalsContact O-CB 3.27Å; F203-L208 WeakPolarHBondContact O-CB 3.48Å; F203-L208 PolarHBondContact O-N 2.96Å |
| 204 | F | 97.4 | Very high | 95.4 | Very high | 85 Ų | 85 | 41.9 Ų | 41.9 | 37% | 0.373 | 24% | 0.235 | S | C | . | . | I | π-helix | trans | -78.7 | -35.1 | -169.6 | -74.3 | -67.9 | 0 | 0 | 0 | 113.5 | Y157 W161 A200 L208 P209 | Y157-F204 VanDerWaalsContact OH-C 3.27Å; Y157-F204 WeakPolarHBondContact OH-CB 3.33Å; Y157-F204 PolarHBondContact OH-O 3.37Å; W161-F204 HydrophobicContact CH2-CB 4.11Å; W161-F204 AromaticContact CH2-CD2 3.79Å; W161-F204 HydrophobicContact CH2-CD2 3.79Å; W161-F204 HydrophobicContact CH2-CG 4.23Å; W161-F204 HydrophobicContact CZ2-CB 3.52Å; W161-F204 AromaticContact CZ2-CD2 3.82Å; W161-F204 HydrophobicContact CZ2-CD2 3.82Å; W161-F204 AromaticContact CZ2-CG 3.79Å; W161-F204 HydrophobicContact CZ2-CG 3.79Å; A200-F204 HydrophobicContact CB-CD2 4.46Å; A200-F204 WeakPolarHBondContact O-CB 3.36Å; A200-F204 WeakPolarHBondContact O-CD2 3.41Å; A200-F204 PolarHBondContact O-N 2.65Å; F204-L208 HydrophobicContact CD1-CD2 4.21Å; F204-P209 WeakPolarHBondContact O-CD 3.33Å; F204-P209 WeakPolarHBondContact O-CG 3.5Å |
| 205 | C | 96.1 | Very high | 95.9 | Very high | 12 Ų | 12 | 47.1 Ų | 47.1 | 8% | 0.081 | 26% | 0.258 | C | S | . | . | I | π-helix | trans | -102 | -1 | -176.8 | -61.9 | 0 | 0 | 0 | 0 | 114.1 | F112 L119 I201 | F112-C205 HydrophobicContact CZ-CB 4.44Å; L119-C205 WeakPolarHBondContact CD2-O 3.37Å; I201-C205 HydrophobicContact CB-CB 4.41Å; I201-C205 CarbonylContact O-C 3.14Å; I201-C205 VanDerWaalsContact O-CA 3.25Å; I201-C205 WeakPolarHBondContact O-CA 3.22Å; I201-C205 WeakPolarHBondContact O-CB 3.49Å; I201-C205 PolarHBondContact O-N 2.96Å |
| 206 | L | 94.3 | Very high | 96.2 | Very high | 47 Ų | 47 | 43 Ų | 43 | 25% | 0.246 | 24% | 0.239 | C | C | . | . | I | π-helix | trans | -135.1 | -66.2 | 177.5 | 177.9 | 67.5 | 0 | 0 | 0 | 112.4 | I201 L202 A210 A267 | I201-L206 PolarHBondContact O-N 3.4Å; L202-L206 HydrophobicContact CD2-CD2 4.12Å; L202-L206 WeakPolarHBondContact O-CB 3.27Å; L202-L206 PolarHBondContact O-N 3.09Å; L206-A210 WeakPolarHBondContact O-CB 3.32Å; L206-A210 PolarHBondContact O-N 3.19Å; L206-A267 HydrophobicContact CD1-CB 4.47Å; L206-A267 HydrophobicContact CD2-CB 3.65Å |
| 207 | V | 96.3 | Very high | 96.3 | Very high | 87 Ų | 87 | 41.3 Ų | 41.3 | 53% | 0.527 | 23% | 0.225 | S | C | . | . | I | π-helix | trans | -64.4 | -50.4 | -171.5 | 172.2 | 0 | 0 | 0 | 0 | 111.7 | L202 F203 G211 | L202-V207 WeakPolarHBondContact O-CG2 3.49Å; L202-V207 PolarHBondContact O-N 2.94Å; F203-V207 PolarHBondContact O-N 3.42Å; V207-G211 WeakPolarHBondContact O-CA 3.4Å; V207-G211 PolarHBondContact O-N 3.07Å |
| 208 | L | 97.4 | Very high | 96.4 | Very high | 72 Ų | 72 | 44 Ų | 44 | 38% | 0.377 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64.6 | -51 | -179.7 | 173.8 | 70.8 | 0 | 0 | 0 | 111.9 | F203 F204 A210 G211 I212 | F203-L208 VanDerWaalsContact O-CB 3.27Å; F203-L208 WeakPolarHBondContact O-CB 3.48Å; F203-L208 PolarHBondContact O-N 2.96Å; F204-L208 HydrophobicContact CD1-CD2 4.21Å; L208-A210 PolarHBondContact O-N 3.46Å; L208-G211 PolarHBondContact O-N 3.5Å; L208-I212 HydrophobicContact CD1-CD1 3.97Å; L208-I212 HydrophobicContact CD1-CG1 4.36Å; L208-I212 HydrophobicContact CG-CD1 4.09Å; L208-I212 VanDerWaalsContact O-CG1 3.29Å; L208-I212 WeakPolarHBondContact O-CG1 3.1Å; L208-I212 PolarHBondContact O-N 2.93Å |
| 209 | P | 97.8 | Very high | 96.5 | Very high | 4 Ų | 4 | 47.3 Ų | 47.3 | 3% | 0.026 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.7 | -46 | 176 | -27.4 | 36 | 0 | 0 | 0 | 113.5 | L119 I120 T123 F204 I212 I213 | L119-P209 HydrophobicContact CD1-CB 4.19Å; L119-P209 HydrophobicContact CD2-CB 4.03Å; L119-P209 HydrophobicContact CD2-CG 4.43Å; L119-P209 HydrophobicContact CG-CB 3.9Å; I120-P209 HydrophobicContact CD1-CB 4.09Å; I120-P209 HydrophobicContact CD1-CG 3.59Å; T123-P209 WeakPolarHBondContact OG1-CB 3.35Å; T123-P209 PolarHBondContact OG1-O 2.95Å; F204-P209 WeakPolarHBondContact O-CD 3.33Å; F204-P209 WeakPolarHBondContact O-CG 3.5Å; P209-I212 PolarHBondContact O-N 3.5Å; P209-I213 VanDerWaalsContact O-CG1 3.26Å; P209-I213 WeakPolarHBondContact O-CG1 3.31Å; P209-I213 PolarHBondContact O-N 3.34Å |
| 210 | A | 97 | Very high | 96.5 | Very high | 19 Ų | 19 | 43.3 Ų | 43.3 | 16% | 0.157 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67 | -41.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L206 L208 I212 I213 V214 L260 | L206-A210 WeakPolarHBondContact O-CB 3.32Å; L206-A210 PolarHBondContact O-N 3.19Å; L208-A210 PolarHBondContact O-N 3.46Å; A210-I212 VanDerWaalsContact C-N 3.35Å; A210-I212 PolarHBondContact O-N 3.26Å; A210-I213 WeakPolarHBondContact O-CB 3.13Å; A210-I213 PolarHBondContact O-N 2.82Å; A210-V214 WeakPolarHBondContact O-CG2 2.97Å; A210-V214 PolarHBondContact O-N 2.98Å; A210-L260 HydrophobicContact CB-CD2 3.87Å |
| 211 | G | 97.9 | Very high | 96.3 | Very high | 39 Ų | 39 | 45.9 Ų | 45.9 | 40% | 0.402 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -58.7 | -45.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | V207 L208 I213 V214 F215 | V207-G211 WeakPolarHBondContact O-CA 3.4Å; V207-G211 PolarHBondContact O-N 3.07Å; L208-G211 PolarHBondContact O-N 3.5Å; G211-I213 PolarHBondContact O-N 3.37Å; G211-V214 PolarHBondContact O-N 3.26Å; G211-F215 WeakPolarHBondContact O-CB 3.2Å; G211-F215 PolarHBondContact O-N 3.32Å |
| 212 | I | 98.2 | Very high | 96.1 | Very high | 46 Ų | 46 | 51.6 Ų | 51.6 | 24% | 0.236 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.8 | -44.2 | 175.3 | -69.5 | 166.8 | 0 | 0 | 0 | 111.4 | T123 L127 L208 P209 A210 S216 | T123-I212 HydrophobicContact CG2-CB 3.83Å; T123-I212 HydrophobicContact CG2-CD1 3.98Å; T123-I212 HydrophobicContact CG2-CG2 3.56Å; L127-I212 HydrophobicContact CD1-CG2 3.81Å; L127-I212 HydrophobicContact CD2-CG2 3.51Å; L127-I212 HydrophobicContact CG-CG2 3.45Å; L127-I212 VanDerWaalsContact CG-CG2 3.45Å; L208-I212 HydrophobicContact CD1-CD1 3.97Å; L208-I212 HydrophobicContact CD1-CG1 4.36Å; L208-I212 HydrophobicContact CG-CD1 4.09Å; L208-I212 VanDerWaalsContact O-CG1 3.29Å; L208-I212 WeakPolarHBondContact O-CG1 3.1Å; L208-I212 PolarHBondContact O-N 2.93Å; P209-I212 PolarHBondContact O-N 3.5Å; A210-I212 VanDerWaalsContact C-N 3.35Å; A210-I212 PolarHBondContact O-N 3.26Å; I212-S216 WeakPolarHBondContact O-CB 2.93Å; I212-S216 PolarHBondContact O-N 3.05Å; I212-S216 PolarHBondContact O-OG 2.97Å |
| 213 | I | 97.8 | Very high | 95.9 | Very high | 4 Ų | 4 | 54.2 Ų | 54.2 | 2% | 0.021 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.8 | -52.6 | 178.1 | -72.2 | 169.1 | 0 | 0 | 0 | 110.4 | L119 M122 P209 A210 G211 S216 Y217 C256 L260 | L119-I213 HydrophobicContact CD1-CD1 3.88Å; M122-I213 HydrophobicContact CB-CD1 4.12Å; P209-I213 VanDerWaalsContact O-CG1 3.26Å; P209-I213 WeakPolarHBondContact O-CG1 3.31Å; P209-I213 PolarHBondContact O-N 3.34Å; A210-I213 WeakPolarHBondContact O-CB 3.13Å; A210-I213 PolarHBondContact O-N 2.82Å; G211-I213 PolarHBondContact O-N 3.37Å; I213-S216 PolarHBondContact O-N 2.92Å; I213-Y217 HydrophobicContact CG2-CD2 3.9Å; I213-Y217 HydrophobicContact CG2-CE2 3.91Å; I213-Y217 VanDerWaalsContact O-CD2 3.24Å; I213-Y217 WeakPolarHBondContact O-CD2 3.47Å; I213-Y217 PolarHBondContact O-N 2.91Å; I213-Y217 VanDerWaalsContact O-N 3.11Å; I213-C256 HydrophobicContact CG2-CB 3.72Å; I213-L260 HydrophobicContact CG2-CD1 4.07Å |
| 214 | V | 97.5 | Very high | 95.5 | Very high | 80 Ų | 80 | 51.1 Ų | 51.1 | 49% | 0.485 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.9 | -50.2 | -178.4 | 172 | 0 | 0 | 0 | 0 | 110.3 | A210 G211 S216 Y217 V218 L260 | A210-V214 WeakPolarHBondContact O-CG2 2.97Å; A210-V214 PolarHBondContact O-N 2.98Å; G211-V214 PolarHBondContact O-N 3.26Å; V214-S216 VanDerWaalsContact C-N 3.34Å; V214-S216 PolarHBondContact O-N 2.92Å; V214-Y217 PolarHBondContact O-N 3.41Å; V214-V218 HydrophobicContact CG1-CG2 4.15Å; V214-V218 WeakPolarHBondContact O-CB 3.5Å; V214-V218 VanDerWaalsContact O-CG2 3.23Å; V214-V218 WeakPolarHBondContact O-CG2 3.4Å; V214-V218 PolarHBondContact O-N 2.9Å; V214-L260 HydrophobicContact CG2-CD1 4.42Å |
| 215 | F | 97.3 | Very high | 95 | Very high | 111 Ų | 111 | 54.6 Ų | 54.6 | 49% | 0.487 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -54.9 | -49.8 | 177 | 172.3 | -98.5 | 0 | 0 | 0 | 111.8 | Y130 G211 Y217 V218 M219 | Y130-F215 HydrophobicContact CE1-CE1 4.45Å; G211-F215 WeakPolarHBondContact O-CB 3.2Å; G211-F215 PolarHBondContact O-N 3.32Å; F215-Y217 PolarHBondContact O-N 3.45Å; F215-V218 PolarHBondContact O-N 2.97Å; F215-M219 HydrophobicContact CD2-CG 4.11Å; F215-M219 HydrophobicContact CE1-CG 4.17Å; F215-M219 HydrophobicContact CE2-CG 3.72Å; F215-M219 HydrophobicContact CE2-SD 4.22Å; F215-M219 HydrophobicContact CG-CG 4.49Å; F215-M219 HydrophobicContact CZ-CG 3.76Å; F215-M219 WeakPolarHBondContact O-CB 3.44Å; F215-M219 VanDerWaalsContact O-CG 3.3Å; F215-M219 WeakPolarHBondContact O-CG 3.46Å; F215-M219 PolarHBondContact O-N 2.95Å |
| 216 | S | 96.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -55.7 | -49.5 | -179.1 | -65.6 | 0 | 0 | 0 | 0 | 111.6 | I212 I213 V214 I220 | I212-S216 WeakPolarHBondContact O-CB 2.93Å; I212-S216 PolarHBondContact O-N 3.05Å; I212-S216 PolarHBondContact O-OG 2.97Å; I213-S216 PolarHBondContact O-N 2.92Å; V214-S216 VanDerWaalsContact C-N 3.34Å; V214-S216 PolarHBondContact O-N 2.92Å; S216-I220 WeakPolarHBondContact O-CD1 3.46Å; S216-I220 WeakPolarHBondContact O-CG1 3.29Å; S216-I220 PolarHBondContact O-N 3.44Å |
| 217 | Y | 96.3 | Very high | 93.5 | Very high | 13 Ų | 13 | 57 Ų | 57 | 5% | 0.051 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -75 | -34.6 | -177 | -73 | -54.3 | 0 | 0 | 0 | 113.7 | S126 I213 V214 F215 I220 I221 T249 A252 M253 C256 | S126-Y217 WeakPolarHBondContact OG-CE2 2.96Å; S126-Y217 PolarHBondContact OG-OH 3.26Å; I213-Y217 HydrophobicContact CG2-CD2 3.9Å; I213-Y217 HydrophobicContact CG2-CE2 3.91Å; I213-Y217 VanDerWaalsContact O-CD2 3.24Å; I213-Y217 WeakPolarHBondContact O-CD2 3.47Å; I213-Y217 PolarHBondContact O-N 2.91Å; I213-Y217 VanDerWaalsContact O-N 3.11Å; V214-Y217 PolarHBondContact O-N 3.41Å; F215-Y217 PolarHBondContact O-N 3.45Å; Y217-I220 HydrophobicContact CD1-CD1 3.89Å; Y217-I220 HydrophobicContact CE1-CD1 4.22Å; Y217-I220 PolarHBondContact O-N 3.18Å; Y217-I221 WeakPolarHBondContact O-CD1 3.35Å; Y217-I221 VanDerWaalsContact O-CG1 3.25Å; Y217-I221 WeakPolarHBondContact O-CG1 3.49Å; Y217-I221 PolarHBondContact O-N 3.07Å; Y217-T249 HydrophobicContact CD1-CG2 4.43Å; Y217-T249 HydrophobicContact CE1-CG2 4.11Å; Y217-A252 VanDerWaalsContact OH-C 3.32Å; Y217-A252 VanDerWaalsContact OH-CB 3.23Å; Y217-A252 WeakPolarHBondContact OH-CB 3.15Å; Y217-M253 HydrophobicContact CD1-CB 3.9Å; Y217-M253 HydrophobicContact CD1-CE 3.65Å; Y217-M253 HydrophobicContact CD1-CG 4.06Å; Y217-M253 HydrophobicContact CD2-CG 4.37Å; Y217-M253 HydrophobicContact CE1-CB 3.79Å; Y217-M253 HydrophobicContact CE1-CE 4.49Å; Y217-M253 HydrophobicContact CE1-CG 4.43Å; Y217-M253 HydrophobicContact CE2-CB 4.41Å; Y217-M253 HydrophobicContact CG-CB 4.31Å; Y217-M253 HydrophobicContact CG-CE 4.09Å; Y217-M253 HydrophobicContact CG-CG 4.06Å; Y217-M253 PolarHBondContact OH-N 3.43Å; Y217-C256 HydrophobicContact CE2-CB 3.9Å |
| 218 | V | 96.2 | Very high | 92.1 | Very high | 62 Ų | 62 | 56.9 Ų | 56.9 | 38% | 0.376 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59.9 | -47.9 | 172.7 | 167.4 | 0 | 0 | 0 | 0 | 110.2 | V214 F215 I220 I221 F222 | V214-V218 HydrophobicContact CG1-CG2 4.15Å; V214-V218 WeakPolarHBondContact O-CB 3.5Å; V214-V218 VanDerWaalsContact O-CG2 3.23Å; V214-V218 WeakPolarHBondContact O-CG2 3.4Å; V214-V218 PolarHBondContact O-N 2.9Å; F215-V218 PolarHBondContact O-N 2.97Å; V218-I220 PolarHBondContact O-N 2.69Å; V218-I221 PolarHBondContact O-N 2.87Å; V218-F222 HydrophobicContact CG1-CD2 3.75Å; V218-F222 HydrophobicContact CG1-CE2 3.32Å; V218-F222 HydrophobicContact CG1-CZ 4.22Å; V218-F222 VanDerWaalsContact O-CD2 3.29Å; V218-F222 WeakPolarHBondContact O-CD2 3.37Å; V218-F222 PolarHBondContact O-N 3.17Å |
| 219 | M | 95 | Very high | 90.2 | Very high | 71 Ų | 71 | 62.2 Ų | 62.2 | 35% | 0.35 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.8 | -38.8 | 178.2 | -67.6 | -59.6 | -71 | 0 | 0 | 112.7 | Y130 F215 I221 F222 K223 | Y130-M219 HydrophobicContact CD2-CB 3.84Å; Y130-M219 HydrophobicContact CE2-CB 3.51Å; Y130-M219 HydrophobicContact CE2-CG 4.1Å; F215-M219 HydrophobicContact CD2-CG 4.11Å; F215-M219 HydrophobicContact CE1-CG 4.17Å; F215-M219 HydrophobicContact CE2-CG 3.72Å; F215-M219 HydrophobicContact CE2-SD 4.22Å; F215-M219 HydrophobicContact CG-CG 4.49Å; F215-M219 HydrophobicContact CZ-CG 3.76Å; F215-M219 WeakPolarHBondContact O-CB 3.44Å; F215-M219 VanDerWaalsContact O-CG 3.3Å; F215-M219 WeakPolarHBondContact O-CG 3.46Å; F215-M219 PolarHBondContact O-N 2.95Å; M219-I221 VanDerWaalsContact C-N 3.34Å; M219-I221 PolarHBondContact O-N 3.35Å; M219-F222 PolarHBondContact O-N 3.33Å; M219-F222 HydrophobicContact SD-CD2 4.47Å; M219-K223 WeakPolarHBondContact O-CB 3.42Å; M219-K223 PolarHBondContact O-N 3.44Å |
| 220 | I | 93.9 | Very high | 88.6 | Confident | 3 Ų | 3 | 68.2 Ų | 68.2 | 2% | 0.015 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -58.8 | -46.5 | 173 | -73.8 | 165.5 | 0 | 0 | 0 | 110.8 | R129 Y130 I133 S216 Y217 V218 F222 K223 V224 T249 | R129-I220 HydrophobicContact CB-CD1 3.93Å; Y130-I220 HydrophobicContact CD2-CG1 4.45Å; I133-I220 HydrophobicContact CB-CG1 4.36Å; I133-I220 HydrophobicContact CG2-CG2 4.2Å; S216-I220 WeakPolarHBondContact O-CD1 3.46Å; S216-I220 WeakPolarHBondContact O-CG1 3.29Å; S216-I220 PolarHBondContact O-N 3.44Å; Y217-I220 HydrophobicContact CD1-CD1 3.89Å; Y217-I220 HydrophobicContact CE1-CD1 4.22Å; Y217-I220 PolarHBondContact O-N 3.18Å; V218-I220 PolarHBondContact O-N 2.69Å; I220-F222 VanDerWaalsContact C-N 3.33Å; I220-F222 PolarHBondContact O-N 2.99Å; I220-K223 PolarHBondContact O-N 3.49Å; I220-V224 HydrophobicContact CG2-CG2 4.21Å; I220-V224 WeakPolarHBondContact O-CB 3.36Å; I220-V224 WeakPolarHBondContact O-CG2 3.12Å; I220-V224 PolarHBondContact O-N 2.88Å; I220-T249 HydrophobicContact CD1-CG2 3.89Å; I220-T249 HydrophobicContact CG2-CG2 3.91Å |
| 221 | I | 93.3 | Very high | 87 | Confident | 70 Ų | 70 | 68.7 Ų | 68.7 | 36% | 0.359 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -61.5 | -44.2 | -179.8 | -70.2 | 163.9 | 0 | 0 | 0 | 110.4 | Y217 V218 M219 V224 K225 M253 | Y217-I221 WeakPolarHBondContact O-CD1 3.35Å; Y217-I221 VanDerWaalsContact O-CG1 3.25Å; Y217-I221 WeakPolarHBondContact O-CG1 3.49Å; Y217-I221 PolarHBondContact O-N 3.07Å; V218-I221 PolarHBondContact O-N 2.87Å; M219-I221 VanDerWaalsContact C-N 3.34Å; M219-I221 PolarHBondContact O-N 3.35Å; I221-V224 PolarHBondContact O-N 3.26Å; I221-K225 HydrophobicContact CG2-CD 4.38Å; I221-K225 WeakPolarHBondContact O-CG 3.45Å; I221-K225 PolarHBondContact O-N 2.9Å; I221-K225 VanDerWaalsContact O-N 3.1Å; I221-M253 HydrophobicContact CD1-CE 4.02Å; I221-M253 HydrophobicContact CD1-SD 4.47Å; I221-M253 HydrophobicContact CG1-CE 4Å |
| 222 | F | 92.1 | Very high | 85.3 | Confident | 128 Ų | 128 | 69.8 Ų | 69.8 | 56% | 0.561 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -61.9 | -46 | 175.9 | -72.3 | -48.8 | 0 | 0 | 0 | 112.3 | V218 M219 I220 V224 K225 S226 | V218-F222 HydrophobicContact CG1-CD2 3.75Å; V218-F222 HydrophobicContact CG1-CE2 3.32Å; V218-F222 HydrophobicContact CG1-CZ 4.22Å; V218-F222 VanDerWaalsContact O-CD2 3.29Å; V218-F222 WeakPolarHBondContact O-CD2 3.37Å; V218-F222 PolarHBondContact O-N 3.17Å; M219-F222 PolarHBondContact O-N 3.33Å; M219-F222 HydrophobicContact SD-CD2 4.47Å; I220-F222 VanDerWaalsContact C-N 3.33Å; I220-F222 PolarHBondContact O-N 2.99Å; F222-V224 PolarHBondContact O-N 3.45Å; F222-K225 PolarHBondContact O-N 3.28Å; F222-S226 PolarHBondContact O-N 3.45Å; F222-S226 VanDerWaalsContact O-N 3.11Å |
| 223 | K | 89.9 | Confident | 83.8 | Confident | 79 Ų | 79 | 75.4 Ų | 75.4 | 34% | 0.343 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -59.3 | -48.4 | 178.2 | -177.6 | 68.2 | 174.6 | 174.3 | 0 | 111.5 | M219 I220 K225 S226 S227 | M219-K223 WeakPolarHBondContact O-CB 3.42Å; M219-K223 PolarHBondContact O-N 3.44Å; I220-K223 PolarHBondContact O-N 3.49Å; K223-K225 VanDerWaalsContact C-N 3.32Å; K223-K225 PolarHBondContact O-N 3.28Å; K223-S226 PolarHBondContact O-N 2.66Å; K223-S226 VanDerWaalsContact O-N 3.15Å; K223-S227 WeakPolarHBondContact O-CB 3.33Å; K223-S227 PolarHBondContact O-N 2.79Å; K223-S227 PolarHBondContact O-OG 2.85Å; K223-S227 VanDerWaalsContact O-OG 3.08Å |
| 224 | V | 87.8 | Confident | 82.6 | Confident | 41 Ų | 41 | 80.6 Ų | 80.6 | 25% | 0.248 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -62.8 | -39.5 | -177.3 | 170.6 | 0 | 0 | 0 | 0 | 111.4 | I133 I220 I221 F222 S226 S228 M246 | I133-V224 HydrophobicContact CG2-CG2 4Å; I220-V224 HydrophobicContact CG2-CG2 4.21Å; I220-V224 WeakPolarHBondContact O-CB 3.36Å; I220-V224 WeakPolarHBondContact O-CG2 3.12Å; I220-V224 PolarHBondContact O-N 2.88Å; I221-V224 PolarHBondContact O-N 3.26Å; F222-V224 PolarHBondContact O-N 3.45Å; V224-S226 VanDerWaalsContact C-N 3.35Å; V224-S228 WeakPolarHBondContact O-CB 3.41Å; V224-S228 PolarHBondContact O-N 3.48Å; V224-M246 HydrophobicContact CB-CE 4.37Å; V224-M246 HydrophobicContact CG1-CE 3.92Å; V224-M246 HydrophobicContact CG2-CE 3.55Å; V224-M246 HydrophobicContact CG2-SD 3.7Å |
| 225 | K | 85.9 | Confident | 81.8 | Confident | 159 Ų | 159 | 82.5 Ų | 82.5 | 69% | 0.691 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -63.9 | -40.1 | 175.2 | -76.1 | -178.7 | 175.9 | -177.3 | 0 | 112.1 | I221 F222 K223 | I221-K225 HydrophobicContact CG2-CD 4.38Å; I221-K225 WeakPolarHBondContact O-CG 3.45Å; I221-K225 PolarHBondContact O-N 2.9Å; I221-K225 VanDerWaalsContact O-N 3.1Å; F222-K225 PolarHBondContact O-N 3.28Å; K223-K225 VanDerWaalsContact C-N 3.32Å; K223-K225 PolarHBondContact O-N 3.28Å |
| 226 | S | 82.9 | Confident | 80.9 | Confident | 96 Ų | 96 | 80.6 Ų | 80.6 | 67% | 0.671 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -72.6 | -39.6 | 178.9 | 172.6 | 0 | 0 | 0 | 0 | 112.7 | F222 K223 V224 | F222-S226 PolarHBondContact O-N 3.45Å; F222-S226 VanDerWaalsContact O-N 3.11Å; K223-S226 PolarHBondContact O-N 2.66Å; K223-S226 VanDerWaalsContact O-N 3.15Å; V224-S226 VanDerWaalsContact C-N 3.35Å |
| 227 | S | 75.5 | Confident | 80.1 | Confident | 13 Ų | 13 | 88.6 Ų | 88.6 | 9% | 0.091 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -90.6 | -3.4 | -173.2 | 69.3 | 0 | 0 | 0 | 0 | 115.1 | K223 K229 E230 I231 | K223-S227 WeakPolarHBondContact O-CB 3.33Å; K223-S227 PolarHBondContact O-N 2.79Å; K223-S227 PolarHBondContact O-OG 2.85Å; K223-S227 VanDerWaalsContact O-OG 3.08Å; S227-K229 PolarHBondContact O-N 3.03Å; S227-K229 VanDerWaalsContact O-N 3.11Å; S227-E230 PolarHBondContact O-N 3.45Å; S227-E230 VanDerWaalsContact O-N 3.16Å; S227-I231 WeakPolarHBondContact O-CD1 3.32Å; S227-I231 WeakPolarHBondContact O-CG1 3.17Å |
| 228 | S | 66.9 | Low | 79.2 | Confident | 84 Ų | 84 | 91.9 Ų | 91.9 | 59% | 0.587 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -28.9 | -175.3 | -166.6 | 0 | 0 | 0 | 0 | 113.5 | V224 | V224-S228 WeakPolarHBondContact O-CB 3.41Å; V224-S228 PolarHBondContact O-N 3.48Å |
| 229 | K | 58.8 | Low | 78.4 | Confident | 184 Ų | 184 | 93.2 Ų | 93.2 | 80% | 0.8 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -25.6 | -179.1 | -68.4 | -176.5 | 178.3 | -179.1 | 0 | 114.3 | S227 S232 | S227-K229 PolarHBondContact O-N 3.03Å; S227-K229 VanDerWaalsContact O-N 3.11Å; K229-S232 PolarHBondContact O-OG 3.09Å; K229-S232 VanDerWaalsContact O-OG 3.06Å |
| 230 | E | 63.3 | Low | 77.7 | Confident | 130 Ų | 130 | 94.3 Ų | 94.3 | 61% | 0.607 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -22.6 | -178 | -67.5 | 176.4 | 176.5 | 0 | 0 | 112.2 | S227 S232 H233 | S227-E230 PolarHBondContact O-N 3.45Å; S227-E230 VanDerWaalsContact O-N 3.16Å; E230-S232 VanDerWaalsContact C-N 3.26Å; E230-S232 PolarHBondContact O-N 2.9Å; E230-H233 PolarHBondContact O-N 3.11Å |
| 231 | I | 64.3 | Low | 77 | Confident | 29 Ų | 29 | 98.4 Ų | 98.4 | 15% | 0.149 | 49% | 0.493 | C | S | . | . | G | 310 helix | trans | -72.8 | -20.3 | -174.1 | -64.9 | 158.8 | 0 | 0 | 0 | 112.7 | S227 H233 Y234 R239 H242 | S227-I231 WeakPolarHBondContact O-CD1 3.32Å; S227-I231 WeakPolarHBondContact O-CG1 3.17Å; I231-H233 PolarHBondContact O-N 2.01Å; I231-Y234 HydrophobicContact CB-CD2 4.42Å; I231-Y234 HydrophobicContact CG1-CD2 4.49Å; I231-Y234 HydrophobicContact CG1-CE2 4.44Å; I231-Y234 HydrophobicContact CG2-CD2 4.45Å; I231-Y234 PolarHBondContact O-N 3.14Å; I231-R239 HydrophobicContact CG2-CG 4.43Å; I231-H242 WeakPolarHBondContact CD1-NE2 3.32Å |
| 232 | S | 61.3 | Low | 76.5 | Confident | 62 Ų | 62 | 97.3 Ų | 97.3 | 43% | 0.434 | 49% | 0.486 | S | S | . | . | G | 310 helix | trans | -66.2 | -17.4 | 178.2 | 59.6 | 0 | 0 | 0 | 0 | 113.7 | K229 E230 R239 | K229-S232 PolarHBondContact O-OG 3.09Å; K229-S232 VanDerWaalsContact O-OG 3.06Å; E230-S232 VanDerWaalsContact C-N 3.26Å; E230-S232 PolarHBondContact O-N 2.9Å; S232-R239 VanDerWaalsContact C-NH2 3.32Å; S232-R239 PolarHBondContact O-NH1 3.29Å; S232-R239 PolarHBondContact O-NH2 2.97Å |
| 233 | H | 66.7 | Low | 76.1 | Confident | 164 Ų | 164 | 95.3 Ų | 95.3 | 76% | 0.759 | 48% | 0.481 | S | S | * | . | G | 310 helix | trans | -94.8 | -8.2 | -179.6 | -68.7 | -79.4 | 0 | 0 | 0 | 113.9 | E230 I231 | E230-H233 PolarHBondContact O-N 3.11Å; I231-H233 PolarHBondContact O-N 2.01Å |
| 234 | Y | 72.9 | Confident | 75.8 | Confident | 114 Ų | 114 | 92.9 Ų | 92.9 | 45% | 0.447 | 47% | 0.472 | S | S | . | . | S | Bend | trans | -77.9 | 149.5 | 177.3 | -71.1 | -65.4 | 0 | 0 | 0 | 113 | I231 I238 R239 | I231-Y234 HydrophobicContact CB-CD2 4.42Å; I231-Y234 HydrophobicContact CG1-CD2 4.49Å; I231-Y234 HydrophobicContact CG1-CE2 4.44Å; I231-Y234 HydrophobicContact CG2-CD2 4.45Å; I231-Y234 PolarHBondContact O-N 3.14Å; Y234-I238 HydrophobicContact CD1-CD1 4.26Å; Y234-I238 HydrophobicContact CD1-CG2 4.08Å; Y234-I238 HydrophobicContact CD2-CG2 4.48Å; Y234-I238 HydrophobicContact CG-CG2 3.94Å; Y234-R239 PolarHBondContact O-NH2 2.99Å |
| 235 | D | 80 | Confident | 75.6 | Confident | 119 Ų | 119 | 93.4 Ų | 93.4 | 64% | 0.636 | 47% | 0.472 | S | S | * | . | trans | -48.8 | 148.9 | 169.8 | -66.7 | -29.7 | 0 | 0 | 0 | 112.6 | R237 I238 R239 | D235-R237 PolarHBondContact O-N 3.02Å; D235-R237 VanDerWaalsContact O-N 3.09Å; D235-I238 PolarHBondContact O-N 3.05Å; D235-I238 VanDerWaalsContact O-N 3.08Å; D235-R239 PolarHBondContact O-N 3.16Å | ||
| 236 | A | 80.2 | Confident | 75.6 | Confident | 71 Ų | 71 | 87 Ų | 87 | 59% | 0.587 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -53.5 | -35.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113 | N240 | A236-N240 WeakPolarHBondContact O-CB 3.31Å; A236-N240 PolarHBondContact O-N 3.19Å |
| 237 | R | 77.9 | Confident | 75.8 | Confident | 169 Ų | 169 | 84.4 Ų | 84.4 | 64% | 0.638 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -66.1 | -47.1 | 178 | -173.6 | -179.3 | -176.3 | -169.4 | 3.4 | 112.6 | D235 R239 N240 N241 | D235-R237 PolarHBondContact O-N 3.02Å; D235-R237 VanDerWaalsContact O-N 3.09Å; R237-R239 VanDerWaalsContact C-N 3.32Å; R237-N240 PolarHBondContact O-N 2.88Å; R237-N241 PolarHBondContact O-N 2.76Å; R237-N241 VanDerWaalsContact O-N 3.1Å |
| 238 | I | 77.6 | Confident | 76.4 | Confident | 82 Ų | 82 | 84.7 Ų | 84.7 | 42% | 0.421 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -66.1 | -41.3 | 179.6 | -64.7 | 174.5 | 0 | 0 | 0 | 109.3 | Y234 D235 N241 H242 | Y234-I238 HydrophobicContact CD1-CD1 4.26Å; Y234-I238 HydrophobicContact CD1-CG2 4.08Å; Y234-I238 HydrophobicContact CD2-CG2 4.48Å; Y234-I238 HydrophobicContact CG-CG2 3.94Å; D235-I238 PolarHBondContact O-N 3.05Å; D235-I238 VanDerWaalsContact O-N 3.08Å; I238-N241 PolarHBondContact O-N 2.99Å; I238-H242 WeakPolarHBondContact O-CB 3.5Å; I238-H242 PolarHBondContact O-N 3.43Å |
| 239 | R | 79.8 | Confident | 77.5 | Confident | 89 Ų | 89 | 80.7 Ų | 80.7 | 34% | 0.336 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60.6 | -45.1 | 176.1 | -162.2 | -177.6 | -52.5 | -141.3 | 1 | 112.7 | I231 S232 Y234 D235 R237 H242 N243 | I231-R239 HydrophobicContact CG2-CG 4.43Å; S232-R239 VanDerWaalsContact C-NH2 3.32Å; S232-R239 PolarHBondContact O-NH1 3.29Å; S232-R239 PolarHBondContact O-NH2 2.97Å; Y234-R239 PolarHBondContact O-NH2 2.99Å; D235-R239 PolarHBondContact O-N 3.16Å; R237-R239 VanDerWaalsContact C-N 3.32Å; R239-H242 PolarHBondContact O-N 3.39Å; R239-N243 WeakPolarHBondContact O-CB 3.36Å; R239-N243 VanDerWaalsContact O-CG 3.27Å; R239-N243 PolarHBondContact O-N 3.1Å; R239-N243 PolarHBondContact O-ND2 2.95Å |
| 240 | N | 80.3 | Confident | 79 | Confident | 95 Ų | 95 | 78 Ų | 78 | 51% | 0.508 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.8 | -42.9 | 177 | -80.2 | -8.8 | 0 | 0 | 0 | 112.4 | A236 R237 N243 L244 | A236-N240 WeakPolarHBondContact O-CB 3.31Å; A236-N240 PolarHBondContact O-N 3.19Å; R237-N240 PolarHBondContact O-N 2.88Å; N240-N243 PolarHBondContact O-N 2.86Å; N240-L244 PolarHBondContact O-N 2.86Å |
| 241 | N | 79.8 | Confident | 80.4 | Confident | 88 Ų | 88 | 72.5 Ų | 72.5 | 47% | 0.471 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.6 | -44.2 | 174.1 | -78.8 | -7.9 | 0 | 0 | 0 | 111.5 | R237 I238 N243 L244 E245 | R237-N241 PolarHBondContact O-N 2.76Å; R237-N241 VanDerWaalsContact O-N 3.1Å; I238-N241 PolarHBondContact O-N 2.99Å; N241-N243 PolarHBondContact O-N 3.41Å; N241-L244 WeakPolarHBondContact O-CB 3.38Å; N241-L244 PolarHBondContact O-N 2.71Å; N241-E245 WeakPolarHBondContact O-CG 3.31Å; N241-E245 PolarHBondContact O-N 2.93Å |
| 242 | H | 82.1 | Confident | 81.7 | Confident | 47 Ų | 47 | 71.6 Ų | 71.6 | 22% | 0.218 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.7 | -44.5 | 176.5 | -177 | 76.3 | 0 | 0 | 0 | 112.1 | I231 I238 R239 L244 E245 M246 | I231-H242 WeakPolarHBondContact CD1-NE2 3.32Å; I238-H242 WeakPolarHBondContact O-CB 3.5Å; I238-H242 PolarHBondContact O-N 3.43Å; R239-H242 PolarHBondContact O-N 3.39Å; H242-L244 VanDerWaalsContact C-N 3.3Å; H242-L244 PolarHBondContact O-N 3.3Å; H242-E245 PolarHBondContact O-N 3.42Å; H242-M246 WeakPolarHBondContact NE2-CG 3.15Å; H242-M246 WeakPolarHBondContact O-CB 3.36Å; H242-M246 WeakPolarHBondContact O-CG 3.45Å; H242-M246 PolarHBondContact O-N 2.75Å |
| 243 | N | 84.1 | Confident | 83.3 | Confident | 86 Ų | 86 | 71.2 Ų | 71.2 | 46% | 0.46 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.5 | -39.4 | 176.2 | -73.8 | -23 | 0 | 0 | 0 | 112.4 | R239 N240 N241 M246 K247 | R239-N243 WeakPolarHBondContact O-CB 3.36Å; R239-N243 VanDerWaalsContact O-CG 3.27Å; R239-N243 PolarHBondContact O-N 3.1Å; R239-N243 PolarHBondContact O-ND2 2.95Å; N240-N243 PolarHBondContact O-N 2.86Å; N241-N243 PolarHBondContact O-N 3.41Å; N243-M246 PolarHBondContact O-N 2.92Å; N243-K247 PolarHBondContact O-N 2.94Å |
| 244 | L | 82.8 | Confident | 84.6 | Confident | 28 Ų | 28 | 67.7 Ų | 67.7 | 15% | 0.147 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.2 | -49.7 | 174.4 | 177.7 | 62.8 | 0 | 0 | 0 | 111.2 | N240 N241 H242 M246 K247 L248 | N240-L244 PolarHBondContact O-N 2.86Å; N241-L244 WeakPolarHBondContact O-CB 3.38Å; N241-L244 PolarHBondContact O-N 2.71Å; H242-L244 VanDerWaalsContact C-N 3.3Å; H242-L244 PolarHBondContact O-N 3.3Å; L244-M246 VanDerWaalsContact C-N 3.28Å; L244-M246 PolarHBondContact O-N 3.17Å; L244-K247 WeakPolarHBondContact O-CB 3.44Å; L244-K247 PolarHBondContact O-N 3.31Å; L244-K247 VanDerWaalsContact O-N 3.13Å; L244-L248 HydrophobicContact CG-CD1 4.42Å; L244-L248 WeakPolarHBondContact O-CG 3.36Å; L244-L248 PolarHBondContact O-N 2.86Å |
| 245 | E | 84.1 | Confident | 85.6 | Confident | 53 Ų | 53 | 62.6 Ų | 62.6 | 25% | 0.248 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.8 | -39.8 | 177.6 | -66 | -62.2 | 140.7 | 0 | 0 | 111.1 | R129 I133 N241 H242 L248 T249 | R129-E245 IonicContact CZ-OE2 3.24Å; R129-E245 IonicContact NH1-OE2 3.52Å; R129-E245 PolarHBondContact NH1-OE2 3.19Å; R129-E245 IonicContact NH2-OE2 3.46Å; R129-E245 PolarHBondContact NH2-OE2 3.01Å; I133-E245 HydrophobicContact CD1-CB 4.01Å; N241-E245 WeakPolarHBondContact O-CG 3.31Å; N241-E245 PolarHBondContact O-N 2.93Å; H242-E245 PolarHBondContact O-N 3.42Å; E245-L248 PolarHBondContact O-N 3.24Å; E245-T249 WeakPolarHBondContact O-CB 3.49Å; E245-T249 PolarHBondContact O-N 2.99Å; E245-T249 PolarHBondContact O-OG1 3.38Å |
| 246 | M | 86.9 | Confident | 86.3 | Confident | 24 Ų | 24 | 57.1 Ų | 57.1 | 12% | 0.118 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.6 | -39.4 | 174.3 | -76.1 | -55.7 | -61.1 | 0 | 0 | 113.1 | I133 V224 H242 N243 L244 T249 K250 | I133-M246 HydrophobicContact CD1-SD 3.92Å; I133-M246 HydrophobicContact CG1-SD 4.46Å; I133-M246 HydrophobicContact CG2-SD 4.37Å; V224-M246 HydrophobicContact CB-CE 4.37Å; V224-M246 HydrophobicContact CG1-CE 3.92Å; V224-M246 HydrophobicContact CG2-CE 3.55Å; V224-M246 HydrophobicContact CG2-SD 3.7Å; H242-M246 WeakPolarHBondContact NE2-CG 3.15Å; H242-M246 WeakPolarHBondContact O-CB 3.36Å; H242-M246 WeakPolarHBondContact O-CG 3.45Å; H242-M246 PolarHBondContact O-N 2.75Å; N243-M246 PolarHBondContact O-N 2.92Å; L244-M246 VanDerWaalsContact C-N 3.28Å; L244-M246 PolarHBondContact O-N 3.17Å; M246-T249 PolarHBondContact O-N 3.36Å; M246-K250 VanDerWaalsContact O-CG 3.32Å; M246-K250 WeakPolarHBondContact O-CG 3.48Å; M246-K250 PolarHBondContact O-N 3.39Å |
| 247 | K | 86.9 | Confident | 87.1 | Confident | 41 Ų | 41 | 55.7 Ų | 55.7 | 18% | 0.178 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.4 | -46.2 | 173.8 | -179.4 | 179 | 167.4 | -179.1 | 0 | 110.7 | N243 L244 T249 K250 V251 V307 D308 N311 | N243-K247 PolarHBondContact O-N 2.94Å; L244-K247 WeakPolarHBondContact O-CB 3.44Å; L244-K247 PolarHBondContact O-N 3.31Å; L244-K247 VanDerWaalsContact O-N 3.13Å; K247-T249 PolarHBondContact O-N 3.16Å; K247-K250 PolarHBondContact O-N 2.89Å; K247-V251 WeakPolarHBondContact O-CG2 3.39Å; K247-V251 PolarHBondContact O-N 3.22Å; K247-V307 HydrophobicContact CG-CG1 4.49Å; K247-D308 IonicContact NZ-OD1 3.23Å; K247-N311 WeakPolarHBondContact CE-ND2 3.32Å; K247-N311 PolarHBondContact NZ-ND2 3.19Å |
| 248 | L | 87.4 | Confident | 87.9 | Confident | 19 Ų | 19 | 48.4 Ų | 48.4 | 10% | 0.099 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.2 | -43.8 | 177.1 | -66.8 | 176.4 | 0 | 0 | 0 | 111.6 | L244 E245 K250 V251 A252 I335 | L244-L248 HydrophobicContact CG-CD1 4.42Å; L244-L248 WeakPolarHBondContact O-CG 3.36Å; L244-L248 PolarHBondContact O-N 2.86Å; E245-L248 PolarHBondContact O-N 3.24Å; L248-K250 PolarHBondContact O-N 3.21Å; L248-V251 PolarHBondContact O-N 3.12Å; L248-A252 WeakPolarHBondContact O-CB 3.42Å; L248-A252 PolarHBondContact O-N 3.44Å; L248-I335 HydrophobicContact CD2-CD1 4.46Å; L248-I335 HydrophobicContact CD2-CG2 3.84Å |
| 249 | T | 90.8 | Very high | 88.7 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.006 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.1 | -41.5 | 176.9 | -60.2 | 0 | 0 | 0 | 0 | 112.1 | R129 Y217 I220 E245 M246 K247 A252 M253 | R129-T249 HydrophobicContact CB-CG2 4.18Å; R129-T249 VanDerWaalsContact CD-OG1 3.32Å; R129-T249 WeakPolarHBondContact CD-OG1 3.32Å; R129-T249 HydrophobicContact CG-CG2 4.44Å; Y217-T249 HydrophobicContact CD1-CG2 4.43Å; Y217-T249 HydrophobicContact CE1-CG2 4.11Å; I220-T249 HydrophobicContact CD1-CG2 3.89Å; I220-T249 HydrophobicContact CG2-CG2 3.91Å; E245-T249 WeakPolarHBondContact O-CB 3.49Å; E245-T249 PolarHBondContact O-N 2.99Å; E245-T249 PolarHBondContact O-OG1 3.38Å; M246-T249 PolarHBondContact O-N 3.36Å; K247-T249 PolarHBondContact O-N 3.16Å; T249-A252 PolarHBondContact O-N 3.11Å; T249-M253 WeakPolarHBondContact O-CB 3.35Å; T249-M253 PolarHBondContact O-N 3.4Å |
| 250 | K | 90.9 | Very high | 89.5 | Confident | 128 Ų | 128 | 41.9 Ų | 41.9 | 56% | 0.557 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -62.9 | -43.7 | 175.3 | -75 | 174.3 | -178.7 | 178 | 0 | 112.3 | M246 K247 L248 M253 L254 | M246-K250 VanDerWaalsContact O-CG 3.32Å; M246-K250 WeakPolarHBondContact O-CG 3.48Å; M246-K250 PolarHBondContact O-N 3.39Å; K247-K250 PolarHBondContact O-N 2.89Å; L248-K250 PolarHBondContact O-N 3.21Å; K250-M253 PolarHBondContact O-N 3.3Å; K250-L254 WeakPolarHBondContact O-CG 3.29Å; K250-L254 PolarHBondContact O-N 2.92Å |
| 251 | V | 91 | Very high | 90.2 | Very high | 14 Ų | 14 | 42.9 Ų | 42.9 | 9% | 0.085 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.7 | -49.6 | 175.7 | 172.4 | 0 | 0 | 0 | 0 | 110.4 | K247 L248 M253 L254 I255 I303 Y304 V307 | K247-V251 WeakPolarHBondContact O-CG2 3.39Å; K247-V251 PolarHBondContact O-N 3.22Å; L248-V251 PolarHBondContact O-N 3.12Å; V251-M253 VanDerWaalsContact C-N 3.33Å; V251-M253 PolarHBondContact O-N 2.91Å; V251-L254 PolarHBondContact O-N 3.26Å; V251-I255 HydrophobicContact CG1-CD1 3.85Å; V251-I255 WeakPolarHBondContact O-CG1 3.5Å; V251-I255 PolarHBondContact O-N 3.45Å; V251-I303 HydrophobicContact CG1-CG2 4.25Å; V251-Y304 HydrophobicContact CG1-CD1 3.99Å; V251-Y304 HydrophobicContact CG1-CE1 3.97Å; V251-V307 HydrophobicContact CG2-CB 4.18Å; V251-V307 HydrophobicContact CG2-CG1 3.74Å; V251-V307 HydrophobicContact CG2-CG2 3.97Å |
| 252 | A | 92.7 | Very high | 90.9 | Very high | 10 Ų | 10 | 38.8 Ų | 38.8 | 8% | 0.083 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.1 | -40.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V125 R129 Y217 L248 T249 L254 I255 C256 | V125-A252 HydrophobicContact CG1-CB 3.75Å; R129-A252 HydrophobicContact CG-CB 4.42Å; Y217-A252 VanDerWaalsContact OH-C 3.32Å; Y217-A252 VanDerWaalsContact OH-CB 3.23Å; Y217-A252 WeakPolarHBondContact OH-CB 3.15Å; L248-A252 WeakPolarHBondContact O-CB 3.42Å; L248-A252 PolarHBondContact O-N 3.44Å; T249-A252 PolarHBondContact O-N 3.11Å; A252-L254 PolarHBondContact O-N 3.29Å; A252-I255 PolarHBondContact O-N 3.42Å; A252-C256 PolarHBondContact O-N 3.31Å; A252-C256 PolarHBondContact O-SG 2.93Å |
| 253 | M | 94.1 | Very high | 91.6 | Very high | 53 Ų | 53 | 39.6 Ų | 39.6 | 26% | 0.261 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -60 | -45 | 175.2 | -176 | -171.4 | -68.4 | 0 | 0 | 112 | Y217 I221 T249 K250 V251 I255 C256 A257 | Y217-M253 HydrophobicContact CD1-CB 3.9Å; Y217-M253 HydrophobicContact CD1-CE 3.65Å; Y217-M253 HydrophobicContact CD1-CG 4.06Å; Y217-M253 HydrophobicContact CD2-CG 4.37Å; Y217-M253 HydrophobicContact CE1-CB 3.79Å; Y217-M253 HydrophobicContact CE1-CE 4.49Å; Y217-M253 HydrophobicContact CE1-CG 4.43Å; Y217-M253 HydrophobicContact CE2-CB 4.41Å; Y217-M253 HydrophobicContact CG-CB 4.31Å; Y217-M253 HydrophobicContact CG-CE 4.09Å; Y217-M253 HydrophobicContact CG-CG 4.06Å; Y217-M253 PolarHBondContact OH-N 3.43Å; I221-M253 HydrophobicContact CD1-CE 4.02Å; I221-M253 HydrophobicContact CD1-SD 4.47Å; I221-M253 HydrophobicContact CG1-CE 4Å; T249-M253 WeakPolarHBondContact O-CB 3.35Å; T249-M253 PolarHBondContact O-N 3.4Å; K250-M253 PolarHBondContact O-N 3.3Å; V251-M253 VanDerWaalsContact C-N 3.33Å; V251-M253 PolarHBondContact O-N 2.91Å; M253-I255 VanDerWaalsContact C-N 3.34Å; M253-I255 PolarHBondContact O-N 2.97Å; M253-C256 PolarHBondContact O-N 3.47Å; M253-A257 WeakPolarHBondContact O-CB 3.32Å; M253-A257 PolarHBondContact O-N 2.98Å |
| 254 | L | 94.3 | Very high | 92 | Very high | 90 Ų | 90 | 39.8 Ų | 39.8 | 47% | 0.471 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -63.5 | -40.3 | 177.5 | -70.4 | 172.5 | 0 | 0 | 0 | 112.1 | K250 V251 A252 A257 G258 I303 V307 | K250-L254 WeakPolarHBondContact O-CG 3.29Å; K250-L254 PolarHBondContact O-N 2.92Å; V251-L254 PolarHBondContact O-N 3.26Å; A252-L254 PolarHBondContact O-N 3.29Å; L254-A257 PolarHBondContact O-N 3.29Å; L254-G258 PolarHBondContact O-N 2.9Å; L254-I303 HydrophobicContact CB-CD1 4.14Å; L254-I303 HydrophobicContact CB-CG1 4.49Å; L254-I303 HydrophobicContact CB-CG2 4Å; L254-I303 HydrophobicContact CD1-CG2 4.27Å; L254-V307 HydrophobicContact CD1-CG2 4.46Å |
| 255 | I | 94 | Very high | 92.6 | Very high | 8 Ų | 8 | 40.7 Ų | 40.7 | 4% | 0.041 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62 | -49.9 | 176.6 | -74.2 | 167.9 | 0 | 0 | 0 | 110.7 | L73 M122 V251 A252 M253 A257 G258 F259 N300 I303 Y304 | L73-I255 HydrophobicContact CD2-CG2 3.97Å; M122-I255 HydrophobicContact CE-CG2 3.49Å; M122-I255 VanDerWaalsContact CE-CG2 3.49Å; M122-I255 HydrophobicContact CG-CG2 4.28Å; M122-I255 HydrophobicContact SD-CG2 3.88Å; V251-I255 HydrophobicContact CG1-CD1 3.85Å; V251-I255 WeakPolarHBondContact O-CG1 3.5Å; V251-I255 PolarHBondContact O-N 3.45Å; A252-I255 PolarHBondContact O-N 3.42Å; M253-I255 VanDerWaalsContact C-N 3.34Å; M253-I255 PolarHBondContact O-N 2.97Å; I255-A257 PolarHBondContact O-N 3.14Å; I255-G258 PolarHBondContact O-N 3.18Å; I255-F259 WeakPolarHBondContact O-CB 3.19Å; I255-F259 PolarHBondContact O-N 3.16Å; I255-N300 WeakPolarHBondContact CG2-OD1 3.3Å; I255-I303 HydrophobicContact CB-CD1 4.47Å; I255-I303 HydrophobicContact CG1-CB 4.36Å; I255-I303 HydrophobicContact CG1-CD1 3.82Å; I255-I303 HydrophobicContact CG1-CG2 4.13Å; I255-Y304 HydrophobicContact CD1-CD1 4.28Å; I255-Y304 HydrophobicContact CD1-CE1 3.37Å |
| 256 | C | 95.7 | Very high | 93.1 | Very high | 3 Ų | 3 | 39.2 Ų | 39.2 | 2% | 0.02 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.8 | -43.3 | 179.4 | -63.1 | 0 | 0 | 0 | 0 | 111.5 | I213 Y217 A252 M253 F259 L260 | I213-C256 HydrophobicContact CG2-CB 3.72Å; Y217-C256 HydrophobicContact CE2-CB 3.9Å; A252-C256 PolarHBondContact O-N 3.31Å; A252-C256 PolarHBondContact O-SG 2.93Å; M253-C256 PolarHBondContact O-N 3.47Å; C256-F259 PolarHBondContact O-N 3.48Å; C256-L260 WeakPolarHBondContact O-CB 3.43Å; C256-L260 WeakPolarHBondContact O-CG 3.37Å; C256-L260 PolarHBondContact O-N 3.04Å |
| 257 | A | 95 | Very high | 93.5 | Very high | 42 Ų | 42 | 38.8 Ų | 38.8 | 35% | 0.347 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -61.8 | -47.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | M253 L254 I255 F259 L260 I261 | M253-A257 WeakPolarHBondContact O-CB 3.32Å; M253-A257 PolarHBondContact O-N 2.98Å; L254-A257 PolarHBondContact O-N 3.29Å; I255-A257 PolarHBondContact O-N 3.14Å; A257-F259 VanDerWaalsContact C-N 3.33Å; A257-F259 PolarHBondContact O-N 3.32Å; A257-L260 PolarHBondContact O-N 3.31Å; A257-I261 WeakPolarHBondContact O-CB 3.07Å; A257-I261 WeakPolarHBondContact O-CD1 3.48Å; A257-I261 WeakPolarHBondContact O-CG1 3.48Å; A257-I261 PolarHBondContact O-N 3.18Å |
| 258 | G | 95.3 | Very high | 93.8 | Very high | 15 Ų | 15 | 40.9 Ų | 40.9 | 16% | 0.155 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.5 | -41.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L254 I255 A262 Y299 | L254-G258 PolarHBondContact O-N 2.9Å; I255-G258 PolarHBondContact O-N 3.18Å; G258-A262 WeakPolarHBondContact O-CB 3.13Å; G258-A262 PolarHBondContact O-N 3.41Å; G258-A262 VanDerWaalsContact O-N 3.1Å; G258-Y299 WeakPolarHBondContact O-CE2 3.36Å |
| 259 | F | 95.3 | Very high | 94 | Very high | 12 Ų | 12 | 41 Ų | 41 | 5% | 0.053 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.2 | -54 | 175 | -173.8 | -84.8 | 0 | 0 | 0 | 111.4 | L119 M122 I255 C256 A257 I261 A262 W263 | L119-F259 HydrophobicContact CB-CE1 3.9Å; L119-F259 HydrophobicContact CB-CZ 3.93Å; L119-F259 HydrophobicContact CD1-CD1 4.15Å; L119-F259 HydrophobicContact CD1-CE1 3.79Å; L119-F259 HydrophobicContact CD2-CE1 4.42Å; L119-F259 HydrophobicContact CG-CE1 4.24Å; M122-F259 HydrophobicContact CE-CB 3.8Å; M122-F259 HydrophobicContact CE-CD2 3.64Å; M122-F259 HydrophobicContact CE-CE2 4.46Å; M122-F259 HydrophobicContact CE-CG 3.88Å; M122-F259 HydrophobicContact SD-CB 3.62Å; M122-F259 HydrophobicContact SD-CD1 4.36Å; M122-F259 HydrophobicContact SD-CD2 4.13Å; M122-F259 HydrophobicContact SD-CG 3.79Å; I255-F259 WeakPolarHBondContact O-CB 3.19Å; I255-F259 PolarHBondContact O-N 3.16Å; C256-F259 PolarHBondContact O-N 3.48Å; A257-F259 VanDerWaalsContact C-N 3.33Å; A257-F259 PolarHBondContact O-N 3.32Å; F259-I261 PolarHBondContact O-N 3.49Å; F259-A262 PolarHBondContact O-N 3.31Å; F259-A262 VanDerWaalsContact O-N 3.16Å; F259-W263 AromaticContact CD1-CD1 3.84Å; F259-W263 HydrophobicContact CD1-CG 4.32Å; F259-W263 AromaticContact CD2-CD1 3.84Å; F259-W263 AromaticContact CD2-NE1 3.74Å; F259-W263 HydrophobicContact CE1-CB 4.39Å; F259-W263 AromaticContact CE1-CD1 3.66Å; F259-W263 HydrophobicContact CE1-CD2 4.35Å; F259-W263 AromaticContact CE1-CG 3.89Å; F259-W263 HydrophobicContact CE1-CG 3.89Å; F259-W263 AromaticContact CE1-NE1 3.95Å; F259-W263 AromaticContact CE2-CD1 3.69Å; F259-W263 AromaticContact CE2-CE2 3.94Å; F259-W263 AromaticContact CE2-NE1 3.25Å; F259-W263 VanDerWaalsContact CE2-NE1 3.25Å; F259-W263 AromaticContact CG-CD1 3.92Å; F259-W263 AromaticContact CZ-CD1 3.59Å; F259-W263 HydrophobicContact CZ-CD2 4.09Å; F259-W263 AromaticContact CZ-CE2 3.71Å; F259-W263 HydrophobicContact CZ-CG 4.01Å; F259-W263 HydrophobicContact CZ-CZ2 4.34Å; F259-W263 AromaticContact CZ-NE1 3.37Å; F259-W263 WeakPolarHBondContact O-CB 3.08Å; F259-W263 PolarHBondContact O-N 2.76Å |
| 260 | L | 95.2 | Very high | 94 | Very high | 22 Ų | 22 | 41 Ų | 41 | 12% | 0.115 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.3 | -43.1 | -178.5 | -68.7 | 176.9 | 0 | 0 | 0 | 111.8 | A210 I213 V214 C256 A257 A262 W263 I264 | A210-L260 HydrophobicContact CB-CD2 3.87Å; I213-L260 HydrophobicContact CG2-CD1 4.07Å; V214-L260 HydrophobicContact CG2-CD1 4.42Å; C256-L260 WeakPolarHBondContact O-CB 3.43Å; C256-L260 WeakPolarHBondContact O-CG 3.37Å; C256-L260 PolarHBondContact O-N 3.04Å; A257-L260 PolarHBondContact O-N 3.31Å; L260-A262 VanDerWaalsContact C-N 3.29Å; L260-A262 PolarHBondContact O-N 3.45Å; L260-W263 PolarHBondContact O-N 3.22Å; L260-I264 HydrophobicContact CB-CD1 4.22Å; L260-I264 WeakPolarHBondContact O-CB 3.34Å; L260-I264 WeakPolarHBondContact O-CD1 3.48Å; L260-I264 WeakPolarHBondContact O-CG1 3.17Å; L260-I264 PolarHBondContact O-N 2.84Å |
| 261 | I | 95.3 | Very high | 94 | Very high | 117 Ų | 117 | 37.5 Ų | 37.5 | 60% | 0.6 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -60.2 | -40.2 | 177.2 | -70.3 | 165.7 | 0 | 0 | 0 | 111.3 | A257 F259 P265 | A257-I261 WeakPolarHBondContact O-CB 3.07Å; A257-I261 WeakPolarHBondContact O-CD1 3.48Å; A257-I261 WeakPolarHBondContact O-CG1 3.48Å; A257-I261 PolarHBondContact O-N 3.18Å; F259-I261 PolarHBondContact O-N 3.49Å; I261-P265 WeakPolarHBondContact O-CD 3.33Å |
| 262 | A | 96 | Very high | 94 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.008 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -71.8 | -33.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | G258 F259 L260 L292 A293 Y299 | G258-A262 WeakPolarHBondContact O-CB 3.13Å; G258-A262 PolarHBondContact O-N 3.41Å; G258-A262 VanDerWaalsContact O-N 3.1Å; F259-A262 PolarHBondContact O-N 3.31Å; F259-A262 VanDerWaalsContact O-N 3.16Å; L260-A262 VanDerWaalsContact C-N 3.29Å; L260-A262 PolarHBondContact O-N 3.45Å; A262-L292 HydrophobicContact CB-CG 4.1Å; A262-A293 WeakPolarHBondContact O-CA 3.25Å; A262-A293 PolarHBondContact O-N 3.12Å; A262-Y299 HydrophobicContact CB-CE2 3.76Å |
| 263 | W | 95.4 | Very high | 93.8 | Very high | 64 Ų | 64 | 39.6 Ų | 39.6 | 24% | 0.242 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -92.1 | -27.2 | -173.7 | -80.4 | 82.9 | 0 | 0 | 0 | 114.2 | F259 L260 Y266 A267 A293 S296 | F259-W263 AromaticContact CD1-CD1 3.84Å; F259-W263 HydrophobicContact CD1-CG 4.32Å; F259-W263 AromaticContact CD2-CD1 3.84Å; F259-W263 AromaticContact CD2-NE1 3.74Å; F259-W263 HydrophobicContact CE1-CB 4.39Å; F259-W263 AromaticContact CE1-CD1 3.66Å; F259-W263 HydrophobicContact CE1-CD2 4.35Å; F259-W263 AromaticContact CE1-CG 3.89Å; F259-W263 HydrophobicContact CE1-CG 3.89Å; F259-W263 AromaticContact CE1-NE1 3.95Å; F259-W263 AromaticContact CE2-CD1 3.69Å; F259-W263 AromaticContact CE2-CE2 3.94Å; F259-W263 AromaticContact CE2-NE1 3.25Å; F259-W263 VanDerWaalsContact CE2-NE1 3.25Å; F259-W263 AromaticContact CG-CD1 3.92Å; F259-W263 AromaticContact CZ-CD1 3.59Å; F259-W263 HydrophobicContact CZ-CD2 4.09Å; F259-W263 AromaticContact CZ-CE2 3.71Å; F259-W263 HydrophobicContact CZ-CG 4.01Å; F259-W263 HydrophobicContact CZ-CZ2 4.34Å; F259-W263 AromaticContact CZ-NE1 3.37Å; F259-W263 WeakPolarHBondContact O-CB 3.08Å; F259-W263 PolarHBondContact O-N 2.76Å; L260-W263 PolarHBondContact O-N 3.22Å; W263-Y266 HydrophobicContact CE3-CD1 4.23Å; W263-Y266 HydrophobicContact CZ3-CD1 4.31Å; W263-Y266 HydrophobicContact CZ3-CE1 4.5Å; W263-Y266 PolarHBondContact O-N 3.07Å; W263-A267 PolarHBondContact O-N 2.85Å; W263-A293 HydrophobicContact CD2-CB 4Å; W263-A293 HydrophobicContact CE3-CB 4.22Å; W263-A293 HydrophobicContact CG-CB 4.31Å; W263-S296 PolarHBondContact NE1-OG 3.16Å |
| 264 | I | 93.9 | Very high | 93.4 | Very high | 91 Ų | 91 | 37.1 Ų | 37.1 | 47% | 0.467 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -55.7 | -47.3 | -179.4 | -78 | 163.7 | 0 | 0 | 0 | 112.2 | L260 Y266 A267 V268 | L260-I264 HydrophobicContact CB-CD1 4.22Å; L260-I264 WeakPolarHBondContact O-CB 3.34Å; L260-I264 WeakPolarHBondContact O-CD1 3.48Å; L260-I264 WeakPolarHBondContact O-CG1 3.17Å; L260-I264 PolarHBondContact O-N 2.84Å; I264-Y266 VanDerWaalsContact C-N 3.29Å; I264-Y266 PolarHBondContact O-N 3.28Å; I264-A267 PolarHBondContact O-N 3.43Å; I264-A267 VanDerWaalsContact O-N 3.17Å; I264-V268 HydrophobicContact CG2-CG2 4.28Å; I264-V268 WeakPolarHBondContact O-CG2 3.39Å; I264-V268 PolarHBondContact O-N 3.04Å |
| 265 | P | 95.4 | Very high | 93.1 | Very high | 46 Ų | 46 | 37.1 Ų | 37.1 | 30% | 0.299 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -58.4 | -41.6 | 179.1 | -28.1 | 38.1 | 0 | 0 | 0 | 112.7 | I261 V268 V269 P289 L292 | I261-P265 WeakPolarHBondContact O-CD 3.33Å; P265-V268 PolarHBondContact O-N 2.8Å; P265-V269 WeakPolarHBondContact O-CG2 3.3Å; P265-V269 PolarHBondContact O-N 3.39Å; P265-V269 VanDerWaalsContact O-N 3.13Å; P265-P289 HydrophobicContact CB-CB 3.85Å; P265-P289 HydrophobicContact CB-CG 4.21Å; P265-L292 HydrophobicContact CG-CD2 4.08Å |
| 266 | Y | 94.4 | Very high | 92.6 | Very high | 22 Ų | 22 | 38 Ų | 38 | 9% | 0.086 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -67.5 | -41.3 | 177.6 | 175.4 | -98.6 | 0 | 0 | 0 | 111.4 | T182 W185 W263 I264 V268 V269 S270 T290 A293 | T182-Y266 WeakPolarHBondContact CG2-OH 3.37Å; T182-Y266 PolarHBondContact OG1-OH 2.99Å; W185-Y266 HydrophobicContact CZ2-CE1 4.13Å; W185-Y266 PolarHBondContact NE1-OH 3.01Å; W263-Y266 HydrophobicContact CE3-CD1 4.23Å; W263-Y266 HydrophobicContact CZ3-CD1 4.31Å; W263-Y266 HydrophobicContact CZ3-CE1 4.5Å; W263-Y266 PolarHBondContact O-N 3.07Å; I264-Y266 VanDerWaalsContact C-N 3.29Å; I264-Y266 PolarHBondContact O-N 3.28Å; Y266-V268 PolarHBondContact O-N 3.03Å; Y266-V269 PolarHBondContact O-N 3.34Å; Y266-S270 WeakPolarHBondContact CE1-OG 3.29Å; Y266-S270 WeakPolarHBondContact O-CB 3.18Å; Y266-S270 PolarHBondContact O-N 3.37Å; Y266-S270 PolarHBondContact O-OG 2.94Å; Y266-T290 VanDerWaalsContact CD2-OG1 3.29Å; Y266-T290 WeakPolarHBondContact CD2-OG1 3.35Å; Y266-T290 WeakPolarHBondContact CE2-OG1 3.18Å; Y266-A293 HydrophobicContact CG-CB 4.28Å |
| 267 | A | 93.6 | Very high | 91.8 | Very high | 16 Ų | 16 | 45.3 Ų | 45.3 | 13% | 0.132 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.5 | -42.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | L206 W263 I264 S270 V271 | L206-A267 HydrophobicContact CD1-CB 4.47Å; L206-A267 HydrophobicContact CD2-CB 3.65Å; W263-A267 PolarHBondContact O-N 2.85Å; I264-A267 PolarHBondContact O-N 3.43Å; I264-A267 VanDerWaalsContact O-N 3.17Å; A267-S270 WeakPolarHBondContact O-CB 3.4Å; A267-S270 PolarHBondContact O-N 2.91Å; A267-V271 VanDerWaalsContact O-CG2 3.31Å; A267-V271 WeakPolarHBondContact O-CG2 3.43Å; A267-V271 PolarHBondContact O-N 3.38Å |
| 268 | V | 93.3 | Very high | 90.5 | Very high | 84 Ų | 84 | 47.5 Ų | 47.5 | 51% | 0.509 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -59.8 | -49.7 | 176.2 | 170.7 | 0 | 0 | 0 | 0 | 110.5 | I264 P265 Y266 S270 V271 V272 | I264-V268 HydrophobicContact CG2-CG2 4.28Å; I264-V268 WeakPolarHBondContact O-CG2 3.39Å; I264-V268 PolarHBondContact O-N 3.04Å; P265-V268 PolarHBondContact O-N 2.8Å; Y266-V268 PolarHBondContact O-N 3.03Å; V268-S270 VanDerWaalsContact C-N 3.29Å; V268-S270 PolarHBondContact O-N 2.77Å; V268-V271 PolarHBondContact O-N 2.67Å; V268-V272 WeakPolarHBondContact O-CG2 3.43Å; V268-V272 PolarHBondContact O-N 2.58Å |
| 269 | V | 91.9 | Very high | 89.2 | Confident | 21 Ų | 21 | 51.1 Ų | 51.1 | 13% | 0.127 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.1 | -37 | 178.7 | 173.1 | 0 | 0 | 0 | 0 | 111.9 | P265 Y266 V272 S273 V281 V285 P289 | P265-V269 WeakPolarHBondContact O-CG2 3.3Å; P265-V269 PolarHBondContact O-N 3.39Å; P265-V269 VanDerWaalsContact O-N 3.13Å; Y266-V269 PolarHBondContact O-N 3.34Å; V269-V272 PolarHBondContact O-N 3.38Å; V269-S273 WeakPolarHBondContact O-CB 3.41Å; V269-S273 PolarHBondContact O-N 2.92Å; V269-S273 PolarHBondContact O-OG 3.35Å; V269-V281 HydrophobicContact CG1-CG1 3.74Å; V269-V285 HydrophobicContact CG2-CG1 4.05Å; V269-P289 HydrophobicContact CG2-CG 4.14Å |
| 270 | S | 91.6 | Very high | 88.2 | Confident | 3 Ų | 3 | 53.2 Ų | 53.2 | 2% | 0.021 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.9 | -42.4 | 176.4 | -60.2 | 0 | 0 | 0 | 0 | 112.1 | W185 Y266 A267 V268 S273 A274 | W185-S270 VanDerWaalsContact CE2-CB 3.43Å; W185-S270 PolarHBondContact NE1-OG 2.78Å; Y266-S270 WeakPolarHBondContact CE1-OG 3.29Å; Y266-S270 WeakPolarHBondContact O-CB 3.18Å; Y266-S270 PolarHBondContact O-N 3.37Å; Y266-S270 PolarHBondContact O-OG 2.94Å; A267-S270 WeakPolarHBondContact O-CB 3.4Å; A267-S270 PolarHBondContact O-N 2.91Å; V268-S270 VanDerWaalsContact C-N 3.29Å; V268-S270 PolarHBondContact O-N 2.77Å; S270-S273 PolarHBondContact O-N 2.66Å; S270-A274 WeakPolarHBondContact O-CB 3.39Å; S270-A274 PolarHBondContact O-N 2.85Å |
| 271 | V | 91.7 | Very high | 87.4 | Confident | 53 Ų | 53 | 53.3 Ų | 53.3 | 32% | 0.321 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.3 | -43.9 | 175.5 | 170.7 | 0 | 0 | 0 | 0 | 111.1 | L202 A267 V268 S273 A274 F275 | L202-V271 HydrophobicContact CD1-CG2 3.9Å; L202-V271 HydrophobicContact CD2-CG2 3.54Å; L202-V271 HydrophobicContact CG-CG2 4.4Å; A267-V271 VanDerWaalsContact O-CG2 3.31Å; A267-V271 WeakPolarHBondContact O-CG2 3.43Å; A267-V271 PolarHBondContact O-N 3.38Å; V268-V271 PolarHBondContact O-N 2.67Å; V271-S273 VanDerWaalsContact C-N 3.28Å; V271-S273 PolarHBondContact O-N 3.36Å; V271-A274 PolarHBondContact O-N 3.42Å; V271-A274 VanDerWaalsContact O-N 3.14Å; V271-F275 HydrophobicContact CG1-CD2 4.01Å; V271-F275 WeakPolarHBondContact O-CD2 3.26Å; V271-F275 PolarHBondContact O-N 3.27Å |
| 272 | V | 90.4 | Very high | 86.7 | Confident | 64 Ų | 64 | 51.4 Ų | 51.4 | 39% | 0.388 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.7 | -40.2 | 174.7 | 174.5 | 0 | 0 | 0 | 0 | 110.5 | V268 V269 A274 G276 V281 | V268-V272 WeakPolarHBondContact O-CG2 3.43Å; V268-V272 PolarHBondContact O-N 2.58Å; V269-V272 PolarHBondContact O-N 3.38Å; V272-A274 VanDerWaalsContact C-N 3.29Å; V272-A274 PolarHBondContact O-N 3.03Å; V272-G276 WeakPolarHBondContact O-CA 3.46Å; V272-G276 PolarHBondContact O-N 2.91Å; V272-V281 HydrophobicContact CB-CG2 4.44Å; V272-V281 HydrophobicContact CG1-CG2 3.77Å |
| 273 | S | 87.3 | Confident | 86 | Confident | 4 Ų | 4 | 53.6 Ų | 53.6 | 3% | 0.028 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.5 | -30.9 | 175.6 | -56.7 | 0 | 0 | 0 | 0 | 112.5 | Q189 V269 S270 V271 | Q189-S273 PolarHBondContact NE2-O 3.48Å; V269-S273 WeakPolarHBondContact O-CB 3.41Å; V269-S273 PolarHBondContact O-N 2.92Å; V269-S273 PolarHBondContact O-OG 3.35Å; S270-S273 PolarHBondContact O-N 2.66Å; V271-S273 VanDerWaalsContact C-N 3.28Å; V271-S273 PolarHBondContact O-N 3.36Å |
| 274 | A | 87.4 | Confident | 85.2 | Confident | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.008 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -81.6 | -32.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | W185 A188 Q189 V198 S270 V271 V272 | W185-A274 HydrophobicContact CB-CB 4.43Å; W185-A274 WeakPolarHBondContact O-CA 3.46Å; A188-A274 HydrophobicContact CB-CB 4.02Å; Q189-A274 WeakPolarHBondContact CG-O 3.35Å; V198-A274 HydrophobicContact CG1-CB 3.85Å; S270-A274 WeakPolarHBondContact O-CB 3.39Å; S270-A274 PolarHBondContact O-N 2.85Å; V271-A274 PolarHBondContact O-N 3.42Å; V271-A274 VanDerWaalsContact O-N 3.14Å; V272-A274 VanDerWaalsContact C-N 3.29Å; V272-A274 PolarHBondContact O-N 3.03Å |
| 275 | F | 87.8 | Confident | 84.7 | Confident | 91 Ų | 91 | 53.7 Ų | 53.7 | 40% | 0.399 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -126.8 | -7 | -172.2 | -57.1 | -72.3 | 0 | 0 | 0 | 115 | Q195 V198 L199 L202 V271 | Q195-F275 HydrophobicContact CG-CE1 4.31Å; V198-F275 HydrophobicContact CG1-CE2 4.18Å; V198-F275 HydrophobicContact CG1-CZ 4.1Å; L199-F275 HydrophobicContact CD2-CE1 4.13Å; L199-F275 HydrophobicContact CD2-CE2 4.37Å; L199-F275 HydrophobicContact CD2-CZ 3.53Å; L199-F275 HydrophobicContact CG-CE1 4.42Å; L199-F275 HydrophobicContact CG-CZ 3.98Å; L202-F275 HydrophobicContact CD1-CE2 3.73Å; L202-F275 HydrophobicContact CD1-CZ 4.36Å; V271-F275 HydrophobicContact CG1-CD2 4.01Å; V271-F275 WeakPolarHBondContact O-CD2 3.26Å; V271-F275 PolarHBondContact O-N 3.27Å |
| 276 | G | 83.4 | Confident | 84.2 | Confident | 27 Ų | 27 | 51.8 Ų | 51.8 | 28% | 0.278 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -86 | -177.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q189 V272 | Q189-G276 PolarHBondContact NE2-O 3.32Å; V272-G276 WeakPolarHBondContact O-CA 3.46Å; V272-G276 PolarHBondContact O-N 2.91Å |
| 277 | E | 77.8 | Confident | 84 | Confident | 155 Ų | 155 | 51.3 Ų | 51.3 | 72% | 0.724 | 30% | 0.304 | S | S | * | . | trans | -65.1 | 142.8 | 178.5 | -65.9 | 179.7 | 176.7 | 0 | 0 | 111.6 | S280 | E277-S280 WeakPolarHBondContact O-CB 3.49Å; E277-S280 PolarHBondContact O-N 3.09Å; E277-S280 PolarHBondContact O-OG 3.23Å | ||
| 278 | P | 68.3 | Low | 84 | Confident | 89 Ų | 89 | 55.2 Ų | 55.2 | 58% | 0.578 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | 143.9 | 171.5 | -24.2 | 33.4 | 0 | 0 | 0 | 111.5 | S280 | P278-S280 PolarHBondContact O-N 3.04Š|
| 279 | D | 67.9 | Low | 84 | Confident | 91 Ų | 91 | 52 Ų | 52 | 49% | 0.487 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59 | 6.1 | -175.6 | -78.3 | -54.6 | 0 | 0 | 0 | 117 | H14 R18 V281 | H14-D279 IonicContact CE1-OD1 2.56Å; H14-D279 PolarHBondContact CE1-OD1 3.05Å; H14-D279 IonicContact CE1-OD2 2.93Å; H14-D279 PolarHBondContact CE1-OD2 3.31Å; H14-D279 VanDerWaalsContact CE1-OD2 3.27Å; H14-D279 IonicContact ND1-OD1 3.92Å; H14-D279 PolarHBondContact NE2-N 3.4Å; H14-D279 IonicContact NE2-OD1 3.27Å; R18-D279 IonicContact CZ-OD1 2.65Å; R18-D279 IonicContact NH1-OD1 3.72Å; R18-D279 PolarHBondContact NH1-OD1 2.78Å; R18-D279 IonicContact NH2-OD1 3.23Å; R18-D279 PolarHBondContact NH2-OD1 3.16Å; R18-D279 IonicContact NH2-OD2 2.96Å; R18-D279 PolarHBondContact NH2-OD2 2.81Å; D279-V281 PolarHBondContact O-N 2.88Å |
| 280 | S | 74.6 | Confident | 84.1 | Confident | 55 Ų | 55 | 51.2 Ų | 51.2 | 39% | 0.385 | 30% | 0.302 | S | S | . | . | trans | -69 | -13.7 | -177 | 60 | 0 | 0 | 0 | 0 | 115.7 | E277 P278 P282 | E277-S280 WeakPolarHBondContact O-CB 3.49Å; E277-S280 PolarHBondContact O-N 3.09Å; E277-S280 PolarHBondContact O-OG 3.23Å; P278-S280 PolarHBondContact O-N 3.04Å; S280-P282 WeakPolarHBondContact O-CD 3.33Å | ||
| 281 | V | 78.2 | Confident | 84.3 | Confident | 24 Ų | 24 | 52.2 Ų | 52.2 | 15% | 0.145 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -104.6 | 108.9 | -176.9 | -176.5 | 0 | 0 | 0 | 0 | 110.5 | V269 V272 D279 V285 S286 | V269-V281 HydrophobicContact CG1-CG1 3.74Å; V272-V281 HydrophobicContact CB-CG2 4.44Å; V272-V281 HydrophobicContact CG1-CG2 3.77Å; D279-V281 PolarHBondContact O-N 2.88Å; V281-V285 HydrophobicContact CG1-CB 4.27Å; V281-V285 HydrophobicContact CG1-CG1 4.26Å; V281-S286 VanDerWaalsContact CG1-OG 3.3Å; V281-S286 WeakPolarHBondContact CG1-OG 2.99Å |
| 282 | P | 81.2 | Confident | 84.5 | Confident | 77 Ų | 77 | 52.4 Ų | 52.4 | 50% | 0.5 | 31% | 0.306 | S | S | . | . | trans | -62.8 | 149.9 | 173.8 | -21.7 | 33.3 | 0 | 0 | 0 | 112.3 | S280 V285 S286 | S280-P282 WeakPolarHBondContact O-CD 3.33Å; P282-V285 HydrophobicContact CB-CG2 4.18Å; P282-V285 HydrophobicContact CG-CG2 4.22Å; P282-V285 WeakPolarHBondContact O-CB 3.42Å; P282-V285 PolarHBondContact O-N 3.35Å; P282-S286 PolarHBondContact O-N 3.32Å | ||
| 283 | I | 81.3 | Confident | 84.7 | Confident | 47 Ų | 47 | 49.5 Ų | 49.5 | 24% | 0.241 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -54.7 | -43.8 | -179 | -60.7 | 169 | 0 | 0 | 0 | 113 | R25 L26 F177 V285 S286 V287 | R25-I283 HydrophobicContact CB-CD1 3.69Å; L26-I283 HydrophobicContact CD2-CG2 3.64Å; L26-I283 HydrophobicContact CG-CG2 4.41Å; F177-I283 HydrophobicContact CB-CG2 3.88Å; I283-V285 VanDerWaalsContact C-N 3.26Å; I283-V285 PolarHBondContact O-N 3.48Å; I283-S286 WeakPolarHBondContact O-CB 3.2Å; I283-S286 PolarHBondContact O-N 3.1Å; I283-V287 PolarHBondContact O-N 2.8Å |
| 284 | P | 77.1 | Confident | 85.1 | Confident | 85 Ų | 85 | 51.3 Ų | 51.3 | 55% | 0.552 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -61.2 | -33.8 | 177.3 | -25.4 | 36.3 | 0 | 0 | 0 | 113.8 | S286 V287 V288 | P284-S286 PolarHBondContact O-N 2.75Å; P284-V287 PolarHBondContact O-N 3.44Å; P284-V288 PolarHBondContact O-N 2.85Å |
| 285 | V | 84.3 | Confident | 85.5 | Confident | 72 Ų | 72 | 51.2 Ų | 51.2 | 44% | 0.436 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -72.3 | -20.4 | 177.9 | -177.8 | 0 | 0 | 0 | 0 | 110.8 | V269 V281 P282 I283 P289 | V269-V285 HydrophobicContact CG2-CG1 4.05Å; V281-V285 HydrophobicContact CG1-CB 4.27Å; V281-V285 HydrophobicContact CG1-CG1 4.26Å; P282-V285 HydrophobicContact CB-CG2 4.18Å; P282-V285 HydrophobicContact CG-CG2 4.22Å; P282-V285 WeakPolarHBondContact O-CB 3.42Å; P282-V285 PolarHBondContact O-N 3.35Å; I283-V285 VanDerWaalsContact C-N 3.26Å; I283-V285 PolarHBondContact O-N 3.48Å; V285-P289 WeakPolarHBondContact O-CD 3.49Å; V285-P289 VanDerWaalsContact O-CG 3.24Å; V285-P289 WeakPolarHBondContact O-CG 3.16Å |
| 286 | S | 84.9 | Confident | 85.8 | Confident | 6 Ų | 6 | 47.4 Ų | 47.4 | 4% | 0.042 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -85.4 | -44 | 171.5 | -60.6 | 0 | 0 | 0 | 0 | 112.9 | V281 P282 I283 P284 T290 | V281-S286 VanDerWaalsContact CG1-OG 3.3Å; V281-S286 WeakPolarHBondContact CG1-OG 2.99Å; P282-S286 PolarHBondContact O-N 3.32Å; I283-S286 WeakPolarHBondContact O-CB 3.2Å; I283-S286 PolarHBondContact O-N 3.1Å; P284-S286 PolarHBondContact O-N 2.75Å; S286-T290 VanDerWaalsContact O-CB 3.26Å; S286-T290 WeakPolarHBondContact O-CB 3.36Å; S286-T290 PolarHBondContact O-N 3.38Å; S286-T290 PolarHBondContact O-OG1 2.96Å |
| 287 | V | 90.1 | Very high | 86.2 | Confident | 13 Ų | 13 | 46.2 Ų | 46.2 | 8% | 0.079 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -71.4 | -44.3 | -171.6 | 71.9 | 0 | 0 | 0 | 0 | 113.1 | L26 F177 I283 P284 T290 L291 | L26-V287 HydrophobicContact CD1-CG2 3.96Å; L26-V287 HydrophobicContact CD2-CG1 4.33Å; F177-V287 HydrophobicContact CD1-CB 4.15Å; F177-V287 HydrophobicContact CD1-CG2 4.34Å; F177-V287 HydrophobicContact CE1-CB 4.49Å; F177-V287 HydrophobicContact CE1-CG2 4.47Å; I283-V287 PolarHBondContact O-N 2.8Å; P284-V287 PolarHBondContact O-N 3.44Å; V287-T290 WeakPolarHBondContact O-CB 3.43Å; V287-T290 PolarHBondContact O-N 3.43Å; V287-L291 HydrophobicContact CG2-CD1 4.15Å; V287-L291 HydrophobicContact CG2-CG 4.22Å; V287-L291 WeakPolarHBondContact O-CG 3.37Å; V287-L291 PolarHBondContact O-N 3Å |
| 288 | V | 92.9 | Very high | 86.9 | Confident | 97 Ų | 97 | 39.7 Ų | 39.7 | 59% | 0.588 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -64.8 | -49.5 | -174.1 | 173 | 0 | 0 | 0 | 0 | 112 | P284 T290 L291 L292 | P284-V288 PolarHBondContact O-N 2.85Å; V288-T290 PolarHBondContact O-N 3.13Å; V288-L291 PolarHBondContact O-N 3.06Å; V288-L292 PolarHBondContact O-N 2.78Å |
| 289 | P | 94.8 | Very high | 88 | Confident | 17 Ų | 17 | 37.8 Ų | 37.8 | 11% | 0.11 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.6 | -37 | 174.1 | -29.6 | 41.1 | 0 | 0 | 0 | 113.3 | P265 V269 V285 L292 A293 | P265-P289 HydrophobicContact CB-CB 3.85Å; P265-P289 HydrophobicContact CB-CG 4.21Å; V269-P289 HydrophobicContact CG2-CG 4.14Å; V285-P289 WeakPolarHBondContact O-CD 3.49Å; V285-P289 VanDerWaalsContact O-CG 3.24Å; V285-P289 WeakPolarHBondContact O-CG 3.16Å; P289-L292 PolarHBondContact O-N 3.41Å; P289-A293 WeakPolarHBondContact O-CB 3.36Å; P289-A293 PolarHBondContact O-N 3.26Å |
| 290 | T | 94.2 | Very high | 89 | Confident | 4 Ų | 4 | 33.6 Ų | 33.6 | 3% | 0.025 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.8 | -46.1 | 177.7 | -65 | 0 | 0 | 0 | 0 | 111.9 | E175 F177 Y266 S286 V287 V288 L292 A293 K294 | E175-T290 WeakPolarHBondContact OE1-CG2 3.33Å; E175-T290 PolarHBondContact OE1-OG1 3.27Å; E175-T290 WeakPolarHBondContact OE2-CG2 3.37Å; F177-T290 HydrophobicContact CE1-CG2 4.05Å; F177-T290 HydrophobicContact CZ-CG2 3.92Å; Y266-T290 VanDerWaalsContact CD2-OG1 3.29Å; Y266-T290 WeakPolarHBondContact CD2-OG1 3.35Å; Y266-T290 WeakPolarHBondContact CE2-OG1 3.18Å; S286-T290 VanDerWaalsContact O-CB 3.26Å; S286-T290 WeakPolarHBondContact O-CB 3.36Å; S286-T290 PolarHBondContact O-N 3.38Å; S286-T290 PolarHBondContact O-OG1 2.96Å; V287-T290 WeakPolarHBondContact O-CB 3.43Å; V287-T290 PolarHBondContact O-N 3.43Å; V288-T290 PolarHBondContact O-N 3.13Å; T290-L292 VanDerWaalsContact C-N 3.33Å; T290-L292 PolarHBondContact O-N 2.77Å; T290-A293 PolarHBondContact O-N 3.21Å; T290-K294 HydrophobicContact CG2-CD 4.38Å; T290-K294 WeakPolarHBondContact O-CB 3.2Å; T290-K294 VanDerWaalsContact O-CG 3.31Å; T290-K294 WeakPolarHBondContact O-CG 3.49Å; T290-K294 PolarHBondContact O-N 3.45Å |
| 291 | L | 95.3 | Very high | 89.3 | Confident | 25 Ų | 25 | 32 Ų | 32 | 13% | 0.131 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63 | -40.6 | 175.5 | -67 | 179.1 | 0 | 0 | 0 | 111.6 | A34 Y37 I38 F88 V287 V288 K294 S295 | A34-L291 HydrophobicContact CB-CD1 4.04Å; A34-L291 HydrophobicContact CB-CD2 4.2Å; Y37-L291 HydrophobicContact CD1-CB 4.3Å; Y37-L291 HydrophobicContact CD1-CD2 4.46Å; Y37-L291 HydrophobicContact CE1-CB 4.01Å; I38-L291 HydrophobicContact CD1-CD2 3.85Å; I38-L291 HydrophobicContact CG1-CD2 3.68Å; F88-L291 HydrophobicContact CE1-CD2 3.99Å; F88-L291 HydrophobicContact CZ-CD2 3.68Å; V287-L291 HydrophobicContact CG2-CD1 4.15Å; V287-L291 HydrophobicContact CG2-CG 4.22Å; V287-L291 WeakPolarHBondContact O-CG 3.37Å; V287-L291 PolarHBondContact O-N 3Å; V288-L291 PolarHBondContact O-N 3.06Å; L291-K294 PolarHBondContact O-N 3.01Å; L291-S295 PolarHBondContact O-N 2.56Å; L291-S295 VanDerWaalsContact O-N 3.11Å |
| 292 | L | 95.4 | Very high | 89.7 | Confident | 56 Ų | 56 | 34.2 Ų | 34.2 | 29% | 0.293 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -62 | -49.3 | 176.9 | -174.4 | 67 | 0 | 0 | 0 | 111.2 | A262 P265 V288 P289 T290 K294 S295 Y299 | A262-L292 HydrophobicContact CB-CG 4.1Å; P265-L292 HydrophobicContact CG-CD2 4.08Å; V288-L292 PolarHBondContact O-N 2.78Å; P289-L292 PolarHBondContact O-N 3.41Å; T290-L292 VanDerWaalsContact C-N 3.33Å; T290-L292 PolarHBondContact O-N 2.77Å; L292-K294 VanDerWaalsContact C-N 3.34Å; L292-K294 PolarHBondContact O-N 3.5Å; L292-S295 WeakPolarHBondContact O-CB 3.42Å; L292-S295 PolarHBondContact O-N 2.85Å; L292-S295 PolarHBondContact O-OG 3.04Å; L292-Y299 WeakPolarHBondContact CD1-OH 3.35Å |
| 293 | A | 95.3 | Very high | 90 | Very high | 4 Ų | 4 | 31.6 Ų | 31.6 | 3% | 0.033 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.1 | -45.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | A262 W263 Y266 P289 T290 S295 S296 | A262-A293 WeakPolarHBondContact O-CA 3.25Å; A262-A293 PolarHBondContact O-N 3.12Å; W263-A293 HydrophobicContact CD2-CB 4Å; W263-A293 HydrophobicContact CE3-CB 4.22Å; W263-A293 HydrophobicContact CG-CB 4.31Å; Y266-A293 HydrophobicContact CG-CB 4.28Å; P289-A293 WeakPolarHBondContact O-CB 3.36Å; P289-A293 PolarHBondContact O-N 3.26Å; T290-A293 PolarHBondContact O-N 3.21Å; A293-S295 PolarHBondContact O-N 3.15Å; A293-S295 VanDerWaalsContact O-N 3.14Å; A293-S296 WeakPolarHBondContact O-CB 3.1Å; A293-S296 PolarHBondContact O-N 2.82Å; A293-S296 PolarHBondContact O-OG 3.04Å |
| 294 | K | 94.7 | Very high | 89.8 | Confident | 41 Ų | 41 | 30.2 Ų | 30.2 | 18% | 0.178 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.7 | -21.6 | 176.1 | -70.3 | -178.1 | -151.1 | -76 | 0 | 112.7 | I38 K85 Y107 E175 T290 L291 L292 | I38-K294 HydrophobicContact CD1-CB 3.92Å; I38-K294 HydrophobicContact CD1-CD 4.47Å; K85-K294 PolarHBondContact NZ-O 3.02Å; Y107-K294 PolarHBondContact OH-NZ 2.88Å; E175-K294 IonicContact OE2-NZ 2.63Å; E175-K294 PolarHBondContact OE2-NZ 2.93Å; T290-K294 HydrophobicContact CG2-CD 4.38Å; T290-K294 WeakPolarHBondContact O-CB 3.2Å; T290-K294 VanDerWaalsContact O-CG 3.31Å; T290-K294 WeakPolarHBondContact O-CG 3.49Å; T290-K294 PolarHBondContact O-N 3.45Å; L291-K294 PolarHBondContact O-N 3.01Å; L292-K294 VanDerWaalsContact C-N 3.34Å; L292-K294 PolarHBondContact O-N 3.5Å |
| 295 | S | 95.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -82.3 | -16 | 179.2 | 79.8 | 0 | 0 | 0 | 0 | 115.5 | Y37 L291 L292 A293 A297 M298 Y299 | Y37-S295 WeakPolarHBondContact OH-CB 3.41Å; Y37-S295 PolarHBondContact OH-OG 3.02Å; L291-S295 PolarHBondContact O-N 2.56Å; L291-S295 VanDerWaalsContact O-N 3.11Å; L292-S295 WeakPolarHBondContact O-CB 3.42Å; L292-S295 PolarHBondContact O-N 2.85Å; L292-S295 PolarHBondContact O-OG 3.04Å; A293-S295 PolarHBondContact O-N 3.15Å; A293-S295 VanDerWaalsContact O-N 3.14Å; S295-A297 VanDerWaalsContact C-N 3.29Å; S295-A297 PolarHBondContact O-N 3.47Å; S295-A297 VanDerWaalsContact O-N 3.16Å; S295-M298 WeakPolarHBondContact O-CB 3.44Å; S295-M298 PolarHBondContact O-N 3.45Å; S295-Y299 PolarHBondContact OG-OH 3Å |
| 296 | S | 94.8 | Very high | 89.5 | Confident | 10 Ų | 10 | 31.4 Ų | 31.4 | 7% | 0.07 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -51.9 | -40.3 | -175.1 | 57 | 0 | 0 | 0 | 0 | 114.7 | W263 A293 M298 Y299 | W263-S296 PolarHBondContact NE1-OG 3.16Å; A293-S296 WeakPolarHBondContact O-CB 3.1Å; A293-S296 PolarHBondContact O-N 2.82Å; A293-S296 PolarHBondContact O-OG 3.04Å; S296-M298 PolarHBondContact O-N 3.29Å; S296-Y299 WeakPolarHBondContact O-CB 3.31Å; S296-Y299 PolarHBondContact O-N 3.31Å |
| 297 | A | 91.2 | Very high | 89 | Confident | 3 Ų | 3 | 32.5 Ų | 32.5 | 3% | 0.025 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -59.8 | -17.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | S45 N49 D77 I80 S295 | S45-A297 WeakPolarHBondContact OG-CB 3.13Å; S45-A297 PolarHBondContact OG-O 3.31Å; N49-A297 PolarHBondContact ND2-O 2.86Å; D77-A297 HydrophobicContact CB-CB 3.96Å; I80-A297 HydrophobicContact CG2-CB 4.04Å; S295-A297 VanDerWaalsContact C-N 3.29Å; S295-A297 PolarHBondContact O-N 3.47Å; S295-A297 VanDerWaalsContact O-N 3.16Å |
| 298 | M | 93.3 | Very high | 87.9 | Confident | 17 Ų | 17 | 32.9 Ų | 32.9 | 8% | 0.084 | 17% | 0.173 | C | C | . | . | G | 310 helix | trans | -84.7 | -24 | 176.7 | -177 | -173.4 | 70.9 | 0 | 0 | 112.8 | I41 M44 S295 S296 N300 P301 I302 | I41-M298 HydrophobicContact CB-SD 4.48Å; I41-M298 HydrophobicContact CD1-CE 3.28Å; I41-M298 HydrophobicContact CD1-SD 3.37Å; I41-M298 WeakPolarHBondContact CD1-SD 3.31Å; I41-M298 HydrophobicContact CG1-SD 4.46Å; I41-M298 HydrophobicContact CG2-CB 4.26Å; I41-M298 HydrophobicContact CG2-SD 4.42Å; M44-M298 HydrophobicContact CB-CG 3.9Å; M44-M298 HydrophobicContact CB-SD 3.79Å; M44-M298 HydrophobicContact CE-CE 4.08Å; M44-M298 HydrophobicContact CE-CG 4.48Å; M44-M298 HydrophobicContact CE-SD 3.07Å; M44-M298 WeakPolarHBondContact CE-SD 3.29Å; M44-M298 HydrophobicContact CG-SD 4.4Å; M44-M298 HydrophobicContact SD-SD 3.99Å; S295-M298 WeakPolarHBondContact O-CB 3.44Å; S295-M298 PolarHBondContact O-N 3.45Å; S296-M298 PolarHBondContact O-N 3.29Å; M298-N300 PolarHBondContact O-N 3.47Å; M298-P301 WeakPolarHBondContact O-CD 3.43Å; M298-I302 HydrophobicContact CE-CD1 3.75Å; M298-I302 HydrophobicContact CG-CD1 3.9Å; M298-I302 HydrophobicContact CG-CG1 4.49Å; M298-I302 HydrophobicContact SD-CD1 4.19Å |
| 299 | Y | 91.8 | Very high | 86.3 | Confident | 50 Ų | 50 | 32.7 Ų | 32.7 | 20% | 0.196 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.2 | -31.4 | -173.2 | -58.5 | -10.6 | 0 | 0 | 0 | 111.3 | G258 A262 L292 S295 S296 I302 I303 | G258-Y299 WeakPolarHBondContact O-CE2 3.36Å; A262-Y299 HydrophobicContact CB-CE2 3.76Å; L292-Y299 WeakPolarHBondContact CD1-OH 3.35Å; S295-Y299 PolarHBondContact OG-OH 3Å; S296-Y299 WeakPolarHBondContact O-CB 3.31Å; S296-Y299 PolarHBondContact O-N 3.31Å; Y299-I302 PolarHBondContact O-N 2.96Å; Y299-I303 WeakPolarHBondContact O-CB 3.19Å; Y299-I303 WeakPolarHBondContact O-CD1 3.16Å; Y299-I303 WeakPolarHBondContact O-CG1 3.22Å; Y299-I303 PolarHBondContact O-N 3.48Å |
| 300 | N | 87.9 | Confident | 84.6 | Confident | 3 Ų | 3 | 39.6 Ų | 39.6 | 2% | 0.016 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.6 | -56.9 | -177.4 | -63.6 | -13.2 | 0 | 0 | 0 | 112.2 | D77 I255 M298 I302 I303 Y304 | D77-N300 PolarHBondContact OD2-ND2 3.35Å; I255-N300 WeakPolarHBondContact CG2-OD1 3.3Å; M298-N300 PolarHBondContact O-N 3.47Å; N300-I302 VanDerWaalsContact C-N 3.29Å; N300-I302 PolarHBondContact O-N 3.39Å; N300-I303 PolarHBondContact O-N 2.93Å; N300-Y304 HydrophobicContact CB-CE2 4.02Å; N300-Y304 WeakPolarHBondContact O-CD2 3.23Å; N300-Y304 PolarHBondContact O-N 3.46Å |
| 301 | P | 82.6 | Confident | 82.6 | Confident | 20 Ų | 20 | 42.3 Ų | 42.3 | 13% | 0.13 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -51.7 | -42.2 | 171.4 | -29.7 | 33.3 | 0 | 0 | 0 | 114.9 | M298 Y304 Q305 | M298-P301 WeakPolarHBondContact O-CD 3.43Å; P301-Y304 PolarHBondContact O-N 3.44Å; P301-Q305 PolarHBondContact O-N 3.06Å |
| 302 | I | 85.9 | Confident | 80.4 | Confident | 71 Ų | 71 | 45 Ų | 45 | 36% | 0.364 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -62.9 | -47.8 | 179.3 | -66.3 | 171.8 | 0 | 0 | 0 | 110.1 | M298 Y299 N300 Y304 Q305 L306 | M298-I302 HydrophobicContact CE-CD1 3.75Å; M298-I302 HydrophobicContact CG-CD1 3.9Å; M298-I302 HydrophobicContact CG-CG1 4.49Å; M298-I302 HydrophobicContact SD-CD1 4.19Å; Y299-I302 PolarHBondContact O-N 2.96Å; N300-I302 VanDerWaalsContact C-N 3.29Å; N300-I302 PolarHBondContact O-N 3.39Å; I302-Y304 VanDerWaalsContact C-N 3.34Å; I302-Y304 PolarHBondContact O-N 3.22Å; I302-Q305 PolarHBondContact O-N 3.41Å; I302-L306 HydrophobicContact CG2-CD1 3.7Å; I302-L306 HydrophobicContact CG2-CG 4.14Å; I302-L306 WeakPolarHBondContact O-CB 3.16Å; I302-L306 VanDerWaalsContact O-CG 3.32Å; I302-L306 WeakPolarHBondContact O-CG 3.24Å; I302-L306 PolarHBondContact O-N 3.21Å |
| 303 | I | 86.4 | Confident | 77.9 | Confident | 23 Ų | 23 | 46.5 Ų | 46.5 | 12% | 0.118 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.7 | -43.7 | 178.9 | -68.4 | 162.8 | 0 | 0 | 0 | 110.5 | V251 L254 I255 Y299 N300 Q305 L306 V307 | V251-I303 HydrophobicContact CG1-CG2 4.25Å; L254-I303 HydrophobicContact CB-CD1 4.14Å; L254-I303 HydrophobicContact CB-CG1 4.49Å; L254-I303 HydrophobicContact CB-CG2 4Å; L254-I303 HydrophobicContact CD1-CG2 4.27Å; I255-I303 HydrophobicContact CB-CD1 4.47Å; I255-I303 HydrophobicContact CG1-CB 4.36Å; I255-I303 HydrophobicContact CG1-CD1 3.82Å; I255-I303 HydrophobicContact CG1-CG2 4.13Å; Y299-I303 WeakPolarHBondContact O-CB 3.19Å; Y299-I303 WeakPolarHBondContact O-CD1 3.16Å; Y299-I303 WeakPolarHBondContact O-CG1 3.22Å; Y299-I303 PolarHBondContact O-N 3.48Å; N300-I303 PolarHBondContact O-N 2.93Å; I303-Q305 VanDerWaalsContact C-N 3.3Å; I303-Q305 PolarHBondContact O-N 3.3Å; I303-L306 PolarHBondContact O-N 3Å; I303-V307 HydrophobicContact CG2-CG2 4.37Å; I303-V307 WeakPolarHBondContact O-CB 3.48Å; I303-V307 VanDerWaalsContact O-CG2 3.32Å; I303-V307 WeakPolarHBondContact O-CG2 3.25Å; I303-V307 PolarHBondContact O-N 3.13Å; I303-V307 VanDerWaalsContact O-N 3.09Å |
| 304 | Y | 78.9 | Confident | 75.3 | Confident | 18 Ų | 18 | 50.2 Ų | 50.2 | 7% | 0.071 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -57.2 | -44.5 | 176.2 | -59.6 | -36.6 | 0 | 0 | 0 | 111.5 | V52 V251 I255 N300 P301 I302 D308 | V52-Y304 HydrophobicContact CG2-CD2 4.22Å; V52-Y304 HydrophobicContact CG2-CE2 4.36Å; V251-Y304 HydrophobicContact CG1-CD1 3.99Å; V251-Y304 HydrophobicContact CG1-CE1 3.97Å; I255-Y304 HydrophobicContact CD1-CD1 4.28Å; I255-Y304 HydrophobicContact CD1-CE1 3.37Å; N300-Y304 HydrophobicContact CB-CE2 4.02Å; N300-Y304 WeakPolarHBondContact O-CD2 3.23Å; N300-Y304 PolarHBondContact O-N 3.46Å; P301-Y304 PolarHBondContact O-N 3.44Å; I302-Y304 VanDerWaalsContact C-N 3.34Å; I302-Y304 PolarHBondContact O-N 3.22Å; Y304-D308 PolarHBondContact O-N 3.42Å |
| 305 | Q | 77.1 | Confident | 72.6 | Confident | 76 Ų | 76 | 52.9 Ų | 52.9 | 36% | 0.355 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -71.6 | -43 | -178.7 | -171.9 | 57.4 | 53 | 0 | 0 | 113.1 | P301 I302 I303 V307 D308 L309 | P301-Q305 PolarHBondContact O-N 3.06Å; I302-Q305 PolarHBondContact O-N 3.41Å; I303-Q305 VanDerWaalsContact C-N 3.3Å; I303-Q305 PolarHBondContact O-N 3.3Å; Q305-V307 PolarHBondContact O-N 3.33Å; Q305-D308 PolarHBondContact O-N 3.23Å; Q305-L309 HydrophobicContact CG-CD1 4.14Å; Q305-L309 WeakPolarHBondContact O-CG 3.49Å; Q305-L309 PolarHBondContact O-N 3.5Å |
| 306 | L | 77.2 | Confident | 69.6 | Low | 105 Ų | 105 | 56.3 Ų | 56.3 | 55% | 0.55 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64.1 | -40.9 | -179.8 | -72 | 177.2 | 0 | 0 | 0 | 112 | I302 I303 D308 L309 K310 | I302-L306 HydrophobicContact CG2-CD1 3.7Å; I302-L306 HydrophobicContact CG2-CG 4.14Å; I302-L306 WeakPolarHBondContact O-CB 3.16Å; I302-L306 VanDerWaalsContact O-CG 3.32Å; I302-L306 WeakPolarHBondContact O-CG 3.24Å; I302-L306 PolarHBondContact O-N 3.21Å; I303-L306 PolarHBondContact O-N 3Å; L306-D308 VanDerWaalsContact C-N 3.3Å; L306-D308 PolarHBondContact O-N 3.3Å; L306-L309 PolarHBondContact O-N 3.27Å; L306-K310 PolarHBondContact O-N 3.48Å |
| 307 | V | 73.3 | Confident | 66.7 | Low | 29 Ų | 29 | 61.4 Ų | 61.4 | 18% | 0.176 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -65.5 | -36.7 | 177.9 | 170.9 | 0 | 0 | 0 | 0 | 110.9 | K247 V251 L254 I303 Q305 N311 | K247-V307 HydrophobicContact CG-CG1 4.49Å; V251-V307 HydrophobicContact CG2-CB 4.18Å; V251-V307 HydrophobicContact CG2-CG1 3.74Å; V251-V307 HydrophobicContact CG2-CG2 3.97Å; L254-V307 HydrophobicContact CD1-CG2 4.46Å; I303-V307 HydrophobicContact CG2-CG2 4.37Å; I303-V307 WeakPolarHBondContact O-CB 3.48Å; I303-V307 VanDerWaalsContact O-CG2 3.32Å; I303-V307 WeakPolarHBondContact O-CG2 3.25Å; I303-V307 PolarHBondContact O-N 3.13Å; I303-V307 VanDerWaalsContact O-N 3.09Å; Q305-V307 PolarHBondContact O-N 3.33Å; V307-N311 PolarHBondContact O-N 3.18Å; V307-N311 PolarHBondContact O-ND2 3.02Å |
| 308 | D | 67.1 | Low | 64.4 | Low | 21 Ų | 21 | 67.8 Ų | 67.8 | 11% | 0.112 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -73.6 | -35.6 | 176.4 | -85 | -5.5 | 0 | 0 | 0 | 113.3 | K247 Y304 Q305 L306 N311 S312 | K247-D308 IonicContact NZ-OD1 3.23Å; Y304-D308 PolarHBondContact O-N 3.42Å; Q305-D308 PolarHBondContact O-N 3.23Å; L306-D308 VanDerWaalsContact C-N 3.3Å; L306-D308 PolarHBondContact O-N 3.3Å; D308-N311 PolarHBondContact O-N 3.06Å; D308-S312 PolarHBondContact O-N 2.66Å; D308-S312 VanDerWaalsContact O-N 3.08Å |
| 309 | L | 60.6 | Low | 61.5 | Low | 93 Ų | 93 | 75.1 Ų | 75.1 | 49% | 0.487 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -64.5 | -43.6 | 174.7 | -74.2 | 170.2 | 0 | 0 | 0 | 112.2 | Q305 L306 N311 S312 C313 | Q305-L309 HydrophobicContact CG-CD1 4.14Å; Q305-L309 WeakPolarHBondContact O-CG 3.49Å; Q305-L309 PolarHBondContact O-N 3.5Å; L306-L309 PolarHBondContact O-N 3.27Å; L309-N311 PolarHBondContact O-N 3.19Å; L309-S312 PolarHBondContact O-N 2.65Å; L309-S312 VanDerWaalsContact O-N 3.09Å; L309-C313 WeakPolarHBondContact O-CB 3.5Å; L309-C313 PolarHBondContact O-N 2.97Å |
| 310 | K | 57.9 | Low | 58.7 | Low | 163 Ų | 163 | 78.9 Ų | 78.9 | 71% | 0.709 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -57.3 | -38.7 | 176.8 | -175.3 | 172.2 | -179.8 | 172.2 | 0 | 112.1 | L306 S314 | L306-K310 PolarHBondContact O-N 3.48Å; K310-S314 WeakPolarHBondContact O-CB 3.15Å; K310-S314 PolarHBondContact O-N 3.42Å; K310-S314 VanDerWaalsContact O-N 3.11Å |
| 311 | N | 54 | Low | 56.1 | Low | 61 Ų | 61 | 87 Ų | 87 | 33% | 0.326 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -74 | -32.4 | 177.4 | -67 | -48.9 | 0 | 0 | 0 | 113 | K247 V307 D308 L309 N315 | K247-N311 WeakPolarHBondContact CE-ND2 3.32Å; K247-N311 PolarHBondContact NZ-ND2 3.19Å; V307-N311 PolarHBondContact O-N 3.18Å; V307-N311 PolarHBondContact O-ND2 3.02Å; D308-N311 PolarHBondContact O-N 3.06Å; L309-N311 PolarHBondContact O-N 3.19Å; N311-N315 PolarHBondContact O-N 2.92Å; N311-N315 PolarHBondContact O-ND2 3.29Å |
| 312 | S | 47.1 | Very low | 53.6 | Low | 80 Ų | 80 | 95.8 Ų | 95.8 | 56% | 0.559 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -71.9 | -39.6 | 172.8 | -72.8 | 0 | 0 | 0 | 0 | 112.4 | D308 L309 N315 C316 | D308-S312 PolarHBondContact O-N 2.66Å; D308-S312 VanDerWaalsContact O-N 3.08Å; L309-S312 PolarHBondContact O-N 2.65Å; L309-S312 VanDerWaalsContact O-N 3.09Å; S312-N315 CarbonylContact O-C 3.15Å; S312-N315 PolarHBondContact O-N 3.04Å; S312-C316 WeakPolarHBondContact O-CB 3.23Å; S312-C316 PolarHBondContact O-N 3.38Å |
| 313 | C | 42.9 | Very low | 50.9 | Low | 88 Ų | 88 | 102 Ų | 102 | 60% | 0.595 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -67.5 | -39.1 | 179.2 | -144.8 | 0 | 0 | 0 | 0 | 111.4 | L309 N315 C316 C317 | L309-C313 WeakPolarHBondContact O-CB 3.5Å; L309-C313 PolarHBondContact O-N 2.97Å; C313-N315 VanDerWaalsContact C-N 3.25Å; C313-N315 PolarHBondContact O-N 2.91Å; C313-C316 WeakPolarHBondContact O-CB 3.42Å; C313-C316 PolarHBondContact O-N 3.49Å; C313-C317 PolarHBondContact O-N 2.94Å |
| 314 | S | 41 | Very low | 49.1 | Very low | 83 Ų | 83 | 105.8 Ų | 105.8 | 58% | 0.58 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -63.1 | -29.3 | 172.5 | -163.1 | 0 | 0 | 0 | 0 | 113.4 | K310 | K310-S314 WeakPolarHBondContact O-CB 3.15Å; K310-S314 PolarHBondContact O-N 3.42Å; K310-S314 VanDerWaalsContact O-N 3.11Å |
| 315 | N | 39.3 | Very low | 46.8 | Very low | 97 Ų | 97 | 112 Ų | 112 | 52% | 0.519 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -86.8 | -15.9 | 173.8 | -77.3 | -22 | 0 | 0 | 0 | 113.3 | N311 S312 C313 I318 K319 | N311-N315 PolarHBondContact O-N 2.92Å; N311-N315 PolarHBondContact O-ND2 3.29Å; S312-N315 CarbonylContact O-C 3.15Å; S312-N315 PolarHBondContact O-N 3.04Å; C313-N315 VanDerWaalsContact C-N 3.25Å; C313-N315 PolarHBondContact O-N 2.91Å; N315-I318 PolarHBondContact O-N 3.42Å; N315-K319 PolarHBondContact O-N 3.12Å |
| 316 | C | 32.3 | Very low | 44.4 | Very low | 72 Ų | 72 | 117.7 Ų | 117.7 | 49% | 0.486 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -72.2 | -38 | 179.5 | -155.7 | 0 | 0 | 0 | 0 | 110.6 | S312 C313 I318 K319 | S312-C316 WeakPolarHBondContact O-CB 3.23Å; S312-C316 PolarHBondContact O-N 3.38Å; C313-C316 WeakPolarHBondContact O-CB 3.42Å; C313-C316 PolarHBondContact O-N 3.49Å; C316-I318 PolarHBondContact O-N 3.23Å; C316-K319 PolarHBondContact O-N 2.55Å |
| 317 | C | 34 | Very low | 42.3 | Very low | 117 Ų | 117 | 122.3 Ų | 122.3 | 79% | 0.791 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.1 | -15.2 | 173.3 | -65.7 | 0 | 0 | 0 | 0 | 113.9 | C313 | C313-C317 PolarHBondContact O-N 2.94Š|
| 318 | I | 42.7 | Very low | 40.4 | Very low | 137 Ų | 137 | 130 Ų | 130 | 70% | 0.703 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.5 | -16.1 | 180 | -59.8 | 176 | 0 | 0 | 0 | 112.1 | N315 C316 | N315-I318 PolarHBondContact O-N 3.42Å; C316-I318 PolarHBondContact O-N 3.23Å |
| 319 | K | 31.5 | Very low | 38.7 | Very low | 171 Ų | 171 | 138.3 Ų | 138.3 | 74% | 0.743 | 70% | 0.701 | S | S | * | * | trans | -117.4 | 29.6 | -172.5 | -78.6 | -171.8 | 176.1 | -179.6 | 0 | 115.2 | N315 C316 M321 | N315-K319 PolarHBondContact O-N 3.12Å; C316-K319 PolarHBondContact O-N 2.55Å; K319-M321 PolarHBondContact O-N 3.14Å | ||
| 320 | V | 32.9 | Very low | 37.5 | Very low | 128 Ų | 128 | 137.9 Ų | 137.9 | 78% | 0.776 | 71% | 0.706 | S | S | * | * | trans | -75.7 | -7 | 170.9 | 173.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 321 | M | 33.1 | Very low | 36.5 | Very low | 174 Ų | 174 | 136.7 Ų | 136.7 | 86% | 0.857 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -108 | 78.2 | 174.5 | -62.3 | -177 | 79.4 | 0 | 0 | 112.2 | K319 | K319-M321 PolarHBondContact O-N 3.14Š|
| 322 | K | 31.5 | Very low | 35.7 | Very low | 205 Ų | 205 | 137 Ų | 137 | 89% | 0.891 | 70% | 0.695 | S | S | * | * | trans | 160.6 | 115.4 | 139.5 | -86.8 | 170.3 | -177.5 | -175.4 | 0 | 111.1 | ||||
| 323 | K | 29 | Very low | 35.2 | Very low | 200 Ų | 200 | 140.7 Ų | 140.7 | 87% | 0.87 | 70% | 0.698 | S | S | * | * | trans | -79.1 | -179.6 | 175.1 | -113.2 | -175.2 | -176.3 | -179.5 | 0 | 110.7 | ||||
| 324 | P | 48.7 | Very low | 34.9 | Very low | 103 Ų | 103 | 140.5 Ų | 140.5 | 67% | 0.669 | 69% | 0.694 | S | S | * | * | -124 | -171.7 | -74.6 | 30.9 | -8.1 | 0 | 0 | 0 | 111.5 | |||||
| 325 | N | 28.9 | Very low | 34.8 | Very low | 150 Ų | 150 | 138.6 Ų | 138.6 | 80% | 0.802 | 68% | 0.677 | S | S | * | * | trans | 91.2 | 84.6 | 168.5 | -59 | -9.8 | 0 | 0 | 0 | 118.1 | ||||
| 326 | H | 28.2 | Very low | 34.5 | Very low | 194 Ų | 194 | 135.2 Ų | 135.2 | 90% | 0.898 | 66% | 0.661 | S | S | * | * | -158 | 136.3 | 129.8 | -137.4 | -86.4 | 0 | 0 | 0 | 111.2 | |||||
| 327 | F | 32.6 | Very low | 34.5 | Very low | 203 Ų | 203 | 133.9 Ų | 133.9 | 89% | 0.89 | 66% | 0.659 | S | S | * | * | trans | -53.4 | 137.1 | -178.8 | -112.7 | -108.7 | 0 | 0 | 0 | 112.8 | K329 | F327-K329 PolarHBondContact O-N 3.06Š| ||
| 328 | R | 34.1 | Very low | 34.4 | Very low | 190 Ų | 190 | 131.9 Ų | 131.9 | 72% | 0.717 | 65% | 0.647 | S | S | * | * | trans | -58.7 | 86.1 | -166.3 | -164.1 | 161.2 | 94.8 | 174.3 | 163.7 | 114.1 | R331 | R328-R331 VanDerWaalsContact CD-NH2 3.27Å; R328-R331 VanDerWaalsContact NH2-CZ 3.26Å; R328-R331 VanDerWaalsContact NH2-NH1 3.2Å | ||
| 329 | K | 29.7 | Very low | 34.1 | Very low | 196 Ų | 196 | 129.1 Ų | 129.1 | 85% | 0.852 | 63% | 0.632 | S | S | * | * | trans | -107.2 | 13.7 | 175.3 | -141.8 | 176.6 | -171.3 | 174.5 | 0 | 115.1 | F327 | F327-K329 PolarHBondContact O-N 3.06Š| ||
| 330 | S | 35.7 | Very low | 34.1 | Very low | 84 Ų | 84 | 129.4 Ų | 129.4 | 59% | 0.587 | 63% | 0.634 | S | S | * | * | trans | -129.4 | 95 | 179.8 | 178.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 331 | R | 37.6 | Very low | 34.1 | Very low | 138 Ų | 138 | 130.5 Ų | 130.5 | 52% | 0.521 | 64% | 0.635 | S | S | . | * | S | Bend | trans | -153.2 | 117.8 | 172.5 | -148.8 | 173.9 | -84.9 | -146.7 | -22.7 | 105.7 | R328 | R328-R331 VanDerWaalsContact CD-NH2 3.27Å; R328-R331 VanDerWaalsContact NH2-CZ 3.26Å; R328-R331 VanDerWaalsContact NH2-NH1 3.2Å |
| 332 | F | 37.8 | Very low | 33.9 | Very low | 68 Ų | 68 | 126.1 Ų | 126.1 | 30% | 0.298 | 62% | 0.622 | S | S | . | * | S | Bend | trans | 86.5 | -7.6 | -162.7 | -80.8 | -91.5 | 0 | 0 | 0 | 119.1 | F51 T334 | F51-F332 HydrophobicContact CD1-CE2 4.29Å; F51-F332 AromaticContact CE1-CD2 3.74Å; F51-F332 HydrophobicContact CE1-CD2 3.74Å; F51-F332 AromaticContact CE1-CE2 3.7Å; F51-F332 HydrophobicContact CE1-CE2 3.7Å; F332-T334 PolarHBondContact O-N 3.31Å; F332-T334 VanDerWaalsContact O-N 3.16Å |
| 333 | Y | 35.8 | Very low | 33.6 | Very low | 157 Ų | 157 | 127.1 Ų | 127.1 | 62% | 0.616 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -70.8 | -5.4 | 175.5 | -81.2 | -83.3 | 0 | 0 | 0 | 114.5 | S336 G337 | Y333-S336 PolarHBondContact O-N 3.24Å; Y333-G337 WeakPolarHBondContact O-CA 3.15Å; Y333-G337 PolarHBondContact O-N 3.01Å |
| 334 | T | 37.5 | Very low | 33.7 | Very low | 84 Ų | 84 | 123.4 Ų | 123.4 | 52% | 0.515 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -86.9 | -11.8 | -169 | -33.3 | 0 | 0 | 0 | 0 | 114.7 | F332 | F332-T334 PolarHBondContact O-N 3.31Å; F332-T334 VanDerWaalsContact O-N 3.16Å |
| 335 | I | 37.6 | Very low | 32.8 | Very low | 43 Ų | 43 | 122.8 Ų | 122.8 | 22% | 0.221 | 62% | 0.62 | C | S | . | * | H | α-helix | trans | -90.6 | -24.2 | 168.5 | -62.4 | 179.5 | 0 | 0 | 0 | 111.2 | L248 | L248-I335 HydrophobicContact CD2-CD1 4.46Å; L248-I335 HydrophobicContact CD2-CG2 3.84Å |
| 336 | S | 33.8 | Very low | 32.8 | Very low | 25 Ų | 25 | 125.4 Ų | 125.4 | 18% | 0.175 | 62% | 0.624 | C | S | . | * | H | α-helix | trans | -108.4 | -13.7 | -177.1 | -130.3 | 0 | 0 | 0 | 0 | 115.9 | R59 E67 Y333 I339 | R59-S336 PolarHBondContact NH1-OG 2.96Å; R59-S336 PolarHBondContact NH2-OG 3.21Å; E67-S336 PolarHBondContact OE1-OG 3.25Å; Y333-S336 PolarHBondContact O-N 3.24Å; S336-I339 WeakPolarHBondContact O-CD1 3.37Å |
| 337 | G | 31.2 | Very low | 32.9 | Very low | 44 Ų | 44 | 123.3 Ų | 123.3 | 45% | 0.454 | 62% | 0.62 | S | S | . | * | G | 310 helix | trans | -83.7 | -16 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y333 I339 | Y333-G337 WeakPolarHBondContact O-CA 3.15Å; Y333-G337 PolarHBondContact O-N 3.01Å; G337-I339 PolarHBondContact O-N 3.23Å; G337-I339 VanDerWaalsContact O-N 3.1Å |
| 338 | S | 32.3 | Very low | 32.9 | Very low | 75 Ų | 75 | 118 Ų | 118 | 52% | 0.524 | 61% | 0.613 | S | S | . | * | G | 310 helix | trans | -73.9 | 4.4 | 176.9 | -170 | 0 | 0 | 0 | 0 | 113.7 | ||
| 339 | I | 36.2 | Very low | 32.7 | Very low | 79 Ų | 79 | 117.8 Ų | 117.8 | 41% | 0.405 | 62% | 0.62 | S | S | . | * | G | 310 helix | trans | -100.2 | -4 | -172.8 | -60.7 | 154.2 | 0 | 0 | 0 | 111.8 | K64 S336 G337 | K64-I339 HydrophobicContact CD-CD1 3.91Å; S336-I339 WeakPolarHBondContact O-CD1 3.37Å; G337-I339 PolarHBondContact O-N 3.23Å; G337-I339 VanDerWaalsContact O-N 3.1Å |
| 340 | K | 31.6 | Very low | 32.8 | Very low | 177 Ų | 177 | 116 Ų | 116 | 77% | 0.77 | 62% | 0.618 | S | S | * | * | trans | -109.9 | 83.5 | 179 | -140.3 | -179.3 | -172.7 | -175.3 | 0 | 109.2 | ||||
| 341 | D | 32.6 | Very low | 32.5 | Very low | 151 Ų | 151 | 121 Ų | 121 | 81% | 0.807 | 63% | 0.632 | S | S | * | * | trans | -172.6 | 100.6 | 136.3 | -90 | -21.6 | 0 | 0 | 0 | 110.4 | ||||
| 342 | S | 29.4 | Very low | 32.2 | Very low | 83 Ų | 83 | 126.6 Ų | 126.6 | 58% | 0.58 | 67% | 0.667 | S | S | * | * | trans | -169 | 77.6 | 152.3 | 9.7 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 343 | R | 25.7 | Very low | 31.9 | Very low | 226 Ų | 226 | 129.5 Ų | 129.5 | 85% | 0.853 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 138.2 | 156.5 | -68.9 | -172.1 | -157.4 | -171 | 7.5 | 106.9 | A345 | R343-A345 PolarHBondContact O-N 2.96Š|
| 344 | P | 29.7 | Very low | 31.7 | Very low | 122 Ų | 122 | 128.1 Ų | 128.1 | 79% | 0.792 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 131.6 | 171.2 | 26.7 | -31.7 | 0 | 0 | 0 | 109.1 | K346 | P344-K346 PolarHBondContact O-N 3.47Š|
| 345 | A | 30 | Very low | 31.4 | Very low | 90 Ų | 90 | 130.5 Ų | 130.5 | 74% | 0.744 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 130.4 | 163.6 | 0 | 0 | 0 | 0 | 0 | 107.5 | R343 | R343-A345 PolarHBondContact O-N 2.96Š|
| 346 | K | 30.7 | Very low | 31 | Very low | 204 Ų | 204 | 135.6 Ų | 135.6 | 89% | 0.887 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -67 | 130.3 | 168.5 | -74.5 | -178.7 | 172.5 | -173.9 | 0 | 107.5 | P344 A348 | P344-K346 PolarHBondContact O-N 3.47Å; K346-A348 PolarHBondContact O-N 3.27Å |
| 347 | D | 30.1 | Very low | 30.8 | Very low | 150 Ų | 150 | 142.6 Ų | 142.6 | 80% | 0.802 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 123.9 | 171.8 | -62.5 | -52.6 | 0 | 0 | 0 | 109.8 | H349 | D347-H349 PolarHBondContact O-N 2.71Š|
| 348 | A | 31.3 | Very low | 30.8 | Very low | 91 Ų | 91 | 149.1 Ų | 149.1 | 75% | 0.752 | 78% | 0.782 | S | S | * | * | trans | -76.7 | 111.1 | 165.1 | 0 | 0 | 0 | 0 | 0 | 107.1 | K346 I350 | K346-A348 PolarHBondContact O-N 3.27Å; A348-I350 PolarHBondContact O-N 3.19Å | ||
| 349 | H | 29.8 | Very low | 30.7 | Very low | 186 Ų | 186 | 154.4 Ų | 154.4 | 86% | 0.861 | 80% | 0.801 | S | S | * | * | trans | -60 | 119.8 | 162.3 | -82 | -85.5 | 0 | 0 | 0 | 108.4 | D347 | D347-H349 PolarHBondContact O-N 2.71Š| ||
| 350 | I | 31.7 | Very low | 30.3 | Very low | 160 Ų | 160 | 160.2 Ų | 160.2 | 82% | 0.821 | 83% | 0.831 | S | S | * | * | trans | -84.9 | 114.9 | 163.7 | -65.4 | 173.8 | 0 | 0 | 0 | 105.6 | A348 | A348-I350 PolarHBondContact O-N 3.19Š| ||
| 351 | E | 29.8 | Very low | 30.1 | Very low | 189 Ų | 189 | 158.8 Ų | 158.8 | 88% | 0.883 | 84% | 0.836 | S | S | * | * | trans | -66 | 130.7 | 163.2 | -73.9 | -179.7 | 153.2 | 0 | 0 | 109.2 | ||||
| 352 | M | 31 | Very low | 29.9 | Very low | 254 Ų | 254 | 159.5 Ų | 159.5 | 100% | 1.251 | 84% | 0.839 | S | S | * | * | trans | -146.8 | 0 | 146.1 | -162.8 | 175.1 | 56.2 | 0 | 0 | 108.6 |
Retrieved 352 of 352 residues in 2781.3 ms
(Link to these results)