| 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 | 40.5 | Very low | 45.9 | Very low | 241 Ų | 241 | 151.3 Ų | 151.3 | 100% | 1.187 | 77% | 0.77 | S | S | * | * | 0 | 83.6 | 0 | -89.6 | 179.5 | 170.6 | 0 | 0 | 106.5 | |||||
| 2 | D | 48.8 | Very low | 46.4 | Very low | 168 Ų | 168 | 142.8 Ų | 142.8 | 90% | 0.898 | 75% | 0.748 | S | S | * | * | trans | -80.9 | 124.8 | 169.9 | -68.8 | -27.6 | 0 | 0 | 0 | 107.1 | Y4 | D2-Y4 PolarHBondContact O-N 3.42Š| ||
| 3 | R | 46 | Very low | 48.3 | Very low | 226 Ų | 226 | 133.6 Ų | 133.6 | 85% | 0.853 | 70% | 0.703 | S | S | * | * | trans | -58.7 | 121 | -179 | -68.5 | -179.5 | -168.3 | -177.3 | 3.1 | 107.9 | D5 | R3-D5 PolarHBondContact O-N 2.92Š| ||
| 4 | Y | 48.6 | Very low | 50.6 | Low | 203 Ų | 203 | 127.8 Ų | 127.8 | 80% | 0.796 | 68% | 0.679 | S | S | * | * | trans | -65.6 | 93.2 | 157.5 | -176.7 | -95.9 | 0 | 0 | 0 | 106 | D2 P6 | D2-Y4 PolarHBondContact O-N 3.42Å; Y4-P6 HydrophobicContact CD1-CB 4.48Å; Y4-P6 HydrophobicContact CE1-CB 4.18Å; Y4-P6 WeakPolarHBondContact O-CD 3.47Å | ||
| 5 | D | 40.8 | Very low | 53.2 | Low | 127 Ų | 127 | 128.5 Ų | 128.5 | 68% | 0.679 | 67% | 0.674 | S | S | * | * | trans | -70 | 110.1 | 165.1 | -75.7 | -26.9 | 0 | 0 | 0 | 105.8 | R3 V7 | R3-D5 PolarHBondContact O-N 2.92Å; D5-V7 PolarHBondContact O-N 3.17Å; D5-V7 VanDerWaalsContact O-N 3.07Å | ||
| 6 | P | 44.9 | Very low | 55.5 | Low | 90 Ų | 90 | 123.5 Ų | 123.5 | 58% | 0.584 | 65% | 0.653 | S | S | * | * | trans | -60.5 | 122.2 | 176.2 | 25.5 | -30.9 | 0 | 0 | 0 | 106.5 | Y4 E8 | Y4-P6 HydrophobicContact CD1-CB 4.48Å; Y4-P6 HydrophobicContact CE1-CB 4.18Å; Y4-P6 WeakPolarHBondContact O-CD 3.47Å; P6-E8 VanDerWaalsContact C-N 3.34Å; P6-E8 PolarHBondContact O-N 3.23Å | ||
| 7 | V | 47.6 | Very low | 57.8 | Low | 126 Ų | 126 | 117.1 Ų | 117.1 | 76% | 0.764 | 62% | 0.619 | S | S | * | * | trans | -48.2 | 105.5 | 170.6 | 175.6 | 0 | 0 | 0 | 0 | 106.2 | D5 S9 | D5-V7 PolarHBondContact O-N 3.17Å; D5-V7 VanDerWaalsContact O-N 3.07Å; V7-S9 PolarHBondContact O-N 3.24Å | ||
| 8 | E | 40.6 | Very low | 59.8 | Low | 157 Ų | 157 | 115.5 Ų | 115.5 | 73% | 0.734 | 61% | 0.609 | S | S | * | * | trans | -53.3 | 108.1 | 176.1 | -77 | -171 | 159.2 | 0 | 0 | 106.3 | P6 H10 | P6-E8 VanDerWaalsContact C-N 3.34Å; P6-E8 PolarHBondContact O-N 3.23Å; E8-H10 PolarHBondContact O-N 3.18Å | ||
| 9 | S | 45.3 | Very low | 61.7 | Low | 105 Ų | 105 | 117.4 Ų | 117.4 | 73% | 0.734 | 61% | 0.608 | S | S | * | * | trans | -62.5 | 104.7 | 176.7 | 63 | 0 | 0 | 0 | 0 | 105.9 | V7 S11 | V7-S9 PolarHBondContact O-N 3.24Å; S9-S11 PolarHBondContact O-N 3Å | ||
| 10 | H | 48.7 | Very low | 63.5 | Low | 129 Ų | 129 | 113.2 Ų | 113.2 | 60% | 0.597 | 59% | 0.587 | S | S | * | * | trans | -64.5 | 68.5 | -175.7 | -67.7 | -71.8 | 0 | 0 | 0 | 111.9 | E8 G12 S13 | E8-H10 PolarHBondContact O-N 3.18Å; H10-G12 PolarHBondContact O-N 3.17Å; H10-S13 WeakPolarHBondContact O-CB 3.18Å; H10-S13 PolarHBondContact O-N 3.49Å | ||
| 11 | S | 52.9 | Low | 65.1 | Low | 92 Ų | 92 | 108.8 Ų | 108.8 | 64% | 0.643 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -58.7 | -33.1 | 178.1 | 65.1 | 0 | 0 | 0 | 0 | 111.3 | S9 S13 S14 | S9-S11 PolarHBondContact O-N 3Å; S11-S13 VanDerWaalsContact C-N 3.31Å; S11-S13 PolarHBondContact O-N 3.12Å; S11-S14 PolarHBondContact O-N 3.3Å |
| 12 | G | 52.5 | Low | 67.8 | Low | 49 Ų | 49 | 101.5 Ų | 101.5 | 51% | 0.505 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.8 | -32.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | H10 S14 S16 | H10-G12 PolarHBondContact O-N 3.17Å; G12-S14 PolarHBondContact O-N 3.23Å; G12-S16 WeakPolarHBondContact O-CB 3.32Å; G12-S16 PolarHBondContact O-N 3.02Å; G12-S16 VanDerWaalsContact O-N 3.14Å |
| 13 | S | 70.9 | Confident | 70.2 | Confident | 24 Ų | 24 | 96.8 Ų | 96.8 | 17% | 0.168 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -68.1 | -36.5 | 179.6 | -177.1 | 0 | 0 | 0 | 0 | 112 | H10 S11 F17 | H10-S13 WeakPolarHBondContact O-CB 3.18Å; H10-S13 PolarHBondContact O-N 3.49Å; S11-S13 VanDerWaalsContact C-N 3.31Å; S11-S13 PolarHBondContact O-N 3.12Å; S13-F17 WeakPolarHBondContact O-CB 3.17Å; S13-F17 PolarHBondContact O-N 2.66Å |
| 14 | S | 80.4 | Confident | 72.7 | Confident | 52 Ų | 52 | 86 Ų | 86 | 36% | 0.364 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -71 | -39.1 | 179.3 | -166 | 0 | 0 | 0 | 0 | 112.6 | S11 G12 I18 | S11-S14 PolarHBondContact O-N 3.3Å; G12-S14 PolarHBondContact O-N 3.23Å; S14-I18 WeakPolarHBondContact O-CG1 3.45Å; S14-I18 PolarHBondContact O-N 3.07Å |
| 15 | K | 88.9 | Confident | 75.1 | Confident | 138 Ų | 138 | 78.7 Ų | 78.7 | 60% | 0.6 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -66.7 | -48.1 | 177.4 | -69.9 | -176.5 | -179.7 | 178.3 | 0 | 111 | F17 I18 Y19 | K15-F17 VanDerWaalsContact C-N 3.31Å; K15-F17 PolarHBondContact O-N 2.82Å; K15-I18 PolarHBondContact O-N 2.94Å; K15-Y19 HydrophobicContact CB-CD2 4.44Å; K15-Y19 HydrophobicContact CB-CE2 4.13Å; K15-Y19 WeakPolarHBondContact O-CD2 3.21Å; K15-Y19 PolarHBondContact O-N 3.42Å |
| 16 | S | 91.1 | Very high | 77.8 | Confident | 49 Ų | 49 | 77.3 Ų | 77.3 | 34% | 0.343 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -56.4 | -44.9 | 176.7 | -178.8 | 0 | 0 | 0 | 0 | 111.8 | G12 I18 Y19 L20 | G12-S16 WeakPolarHBondContact O-CB 3.32Å; G12-S16 PolarHBondContact O-N 3.02Å; G12-S16 VanDerWaalsContact O-N 3.14Å; S16-I18 PolarHBondContact O-N 2.84Å; S16-Y19 PolarHBondContact O-N 3.24Å; S16-L20 WeakPolarHBondContact O-CB 3.34Å; S16-L20 VanDerWaalsContact O-CG 3.31Å; S16-L20 WeakPolarHBondContact O-CG 3.37Å; S16-L20 PolarHBondContact O-N 2.83Å |
| 17 | F | 93.5 | Very high | 80.4 | Confident | 15 Ų | 15 | 75.9 Ų | 75.9 | 7% | 0.066 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -54.3 | -51.4 | 175.2 | 177.8 | -111.4 | 0 | 0 | 0 | 112.6 | S13 K15 Y19 L20 V21 R78 V79 L221 Y227 | S13-F17 WeakPolarHBondContact O-CB 3.17Å; S13-F17 PolarHBondContact O-N 2.66Å; K15-F17 VanDerWaalsContact C-N 3.31Å; K15-F17 PolarHBondContact O-N 2.82Å; F17-Y19 PolarHBondContact O-N 2.94Å; F17-L20 PolarHBondContact O-N 2.78Å; F17-V21 HydrophobicContact CD2-CG2 4.25Å; F17-V21 HydrophobicContact CE1-CG2 4.14Å; F17-V21 HydrophobicContact CE2-CG2 3.8Å; F17-V21 HydrophobicContact CZ-CG2 3.73Å; F17-V21 WeakPolarHBondContact O-CG2 3.38Å; F17-V21 PolarHBondContact O-N 2.75Å; F17-R78 HydrophobicContact CE2-CB 4.04Å; F17-R78 HydrophobicContact CZ-CB 4.05Å; F17-R78 WeakPolarHBondContact CZ-O 3.32Å; F17-V79 HydrophobicContact CZ-CG2 4.42Å; F17-L221 HydrophobicContact CD2-CD2 3.81Å; F17-L221 HydrophobicContact CE2-CD2 3.89Å; F17-Y227 HydrophobicContact CB-CD1 3.9Å; F17-Y227 HydrophobicContact CB-CE1 3.56Å; F17-Y227 AromaticContact CD2-CD1 3.58Å; F17-Y227 HydrophobicContact CD2-CD1 3.58Å; F17-Y227 AromaticContact CD2-CD2 3.6Å; F17-Y227 HydrophobicContact CD2-CD2 3.6Å; F17-Y227 AromaticContact CD2-CE1 3.94Å; F17-Y227 HydrophobicContact CD2-CE1 3.94Å; F17-Y227 AromaticContact CD2-CE2 3.95Å; F17-Y227 HydrophobicContact CD2-CE2 3.95Å; F17-Y227 AromaticContact CD2-CG 3.42Å; F17-Y227 HydrophobicContact CD2-CG 3.42Å; F17-Y227 VanDerWaalsContact CD2-CG 3.42Å; F17-Y227 HydrophobicContact CE2-CD1 4.44Å; F17-Y227 HydrophobicContact CE2-CD2 4.15Å; F17-Y227 AromaticContact CE2-CG 3.95Å; F17-Y227 HydrophobicContact CE2-CG 3.95Å; F17-Y227 AromaticContact CG-CD1 3.98Å; F17-Y227 HydrophobicContact CG-CD1 3.98Å; F17-Y227 HydrophobicContact CG-CE1 4.13Å; F17-Y227 HydrophobicContact CG-CG 4.28Å |
| 18 | I | 94.3 | Very high | 82.8 | Confident | 88 Ų | 88 | 69.9 Ų | 69.9 | 45% | 0.451 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.1 | -45.8 | -178.4 | -67.4 | 166.8 | 0 | 0 | 0 | 110.7 | S14 K15 S16 L20 V21 I22 | S14-I18 WeakPolarHBondContact O-CG1 3.45Å; S14-I18 PolarHBondContact O-N 3.07Å; K15-I18 PolarHBondContact O-N 2.94Å; S16-I18 PolarHBondContact O-N 2.84Å; I18-L20 VanDerWaalsContact C-N 3.35Å; I18-L20 PolarHBondContact O-N 3.12Å; I18-V21 PolarHBondContact O-N 3.42Å; I18-I22 HydrophobicContact CG2-CD1 3.83Å; I18-I22 HydrophobicContact CG2-CG1 4.49Å; I18-I22 WeakPolarHBondContact O-CG1 3.47Å; I18-I22 PolarHBondContact O-N 3Å |
| 19 | Y | 96 | Very high | 85.6 | Confident | 151 Ų | 151 | 66.6 Ų | 66.6 | 59% | 0.592 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -61 | -43.6 | 178.1 | -69.9 | -55.2 | 0 | 0 | 0 | 112.2 | K15 S16 F17 V21 I22 I23 | K15-Y19 HydrophobicContact CB-CD2 4.44Å; K15-Y19 HydrophobicContact CB-CE2 4.13Å; K15-Y19 WeakPolarHBondContact O-CD2 3.21Å; K15-Y19 PolarHBondContact O-N 3.42Å; S16-Y19 PolarHBondContact O-N 3.24Å; F17-Y19 PolarHBondContact O-N 2.94Å; Y19-V21 PolarHBondContact O-N 2.96Å; Y19-I22 PolarHBondContact O-N 3.19Å; Y19-I23 WeakPolarHBondContact O-CB 3.02Å; Y19-I23 VanDerWaalsContact O-CG1 3.22Å; Y19-I23 WeakPolarHBondContact O-CG1 3.41Å; Y19-I23 PolarHBondContact O-N 3.48Å |
| 20 | L | 97.3 | Very high | 88.1 | Confident | 33 Ų | 33 | 64.8 Ų | 64.8 | 17% | 0.173 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -65.7 | -37.7 | 178.6 | -72.5 | 170.9 | 0 | 0 | 0 | 112.6 | S16 F17 I18 I23 S24 L217 Y220 L221 Y227 | S16-L20 WeakPolarHBondContact O-CB 3.34Å; S16-L20 VanDerWaalsContact O-CG 3.31Å; S16-L20 WeakPolarHBondContact O-CG 3.37Å; S16-L20 PolarHBondContact O-N 2.83Å; F17-L20 PolarHBondContact O-N 2.78Å; I18-L20 VanDerWaalsContact C-N 3.35Å; I18-L20 PolarHBondContact O-N 3.12Å; L20-I23 PolarHBondContact O-N 3.33Å; L20-S24 WeakPolarHBondContact O-CB 3.45Å; L20-S24 PolarHBondContact O-N 3.22Å; L20-L217 HydrophobicContact CD2-CD2 4.16Å; L20-Y220 HydrophobicContact CD1-CD1 3.93Å; L20-Y220 HydrophobicContact CD1-CE1 3.47Å; L20-Y220 VanDerWaalsContact CD1-CE1 3.47Å; L20-L221 HydrophobicContact CB-CD2 3.73Å; L20-L221 HydrophobicContact CB-CG 4.33Å; L20-L221 HydrophobicContact CD1-CD2 4.48Å; L20-Y227 HydrophobicContact CD1-CE2 4.44Å |
| 21 | V | 97.6 | Very high | 90.5 | Very high | 21 Ų | 21 | 58.7 Ų | 58.7 | 13% | 0.127 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63 | -46.7 | 172.4 | 171.1 | 0 | 0 | 0 | 0 | 110.2 | F17 I18 Y19 I23 S24 Q25 V79 L221 | F17-V21 HydrophobicContact CD2-CG2 4.25Å; F17-V21 HydrophobicContact CE1-CG2 4.14Å; F17-V21 HydrophobicContact CE2-CG2 3.8Å; F17-V21 HydrophobicContact CZ-CG2 3.73Å; F17-V21 WeakPolarHBondContact O-CG2 3.38Å; F17-V21 PolarHBondContact O-N 2.75Å; I18-V21 PolarHBondContact O-N 3.42Å; Y19-V21 PolarHBondContact O-N 2.96Å; V21-I23 VanDerWaalsContact C-N 3.33Å; V21-I23 PolarHBondContact O-N 3.03Å; V21-S24 PolarHBondContact O-N 3.06Å; V21-S24 PolarHBondContact O-OG 3.06Å; V21-Q25 HydrophobicContact CG1-CG 4.49Å; V21-Q25 VanDerWaalsContact O-CG 3.31Å; V21-Q25 WeakPolarHBondContact O-CG 3.48Å; V21-Q25 PolarHBondContact O-N 3.32Å; V21-V79 HydrophobicContact CG1-CG2 4.04Å; V21-V79 HydrophobicContact CG2-CG2 4.16Å; V21-L221 HydrophobicContact CG2-CD1 4.08Å; V21-L221 HydrophobicContact CG2-CD2 3.96Å |
| 22 | I | 98 | Very high | 92.7 | Very high | 88 Ų | 88 | 55.5 Ų | 55.5 | 45% | 0.451 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -59.5 | -45.9 | 177.8 | -68.7 | 166.8 | 0 | 0 | 0 | 110.7 | I18 Y19 S24 Q25 I26 | I18-I22 HydrophobicContact CG2-CD1 3.83Å; I18-I22 HydrophobicContact CG2-CG1 4.49Å; I18-I22 WeakPolarHBondContact O-CG1 3.47Å; I18-I22 PolarHBondContact O-N 3Å; Y19-I22 PolarHBondContact O-N 3.19Å; I22-S24 VanDerWaalsContact C-N 3.35Å; I22-S24 PolarHBondContact O-N 3.33Å; I22-Q25 PolarHBondContact O-N 3.49Å; I22-I26 HydrophobicContact CG2-CD1 4.04Å; I22-I26 WeakPolarHBondContact O-CG1 3.05Å; I22-I26 PolarHBondContact O-N 2.86Å |
| 23 | I | 98.2 | Very high | 94.9 | Very high | 69 Ų | 69 | 58 Ų | 58 | 35% | 0.354 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.5 | -43.9 | 177.3 | -66.8 | 164.7 | 0 | 0 | 0 | 110.3 | Y19 L20 V21 Q25 I26 F27 L217 | Y19-I23 WeakPolarHBondContact O-CB 3.02Å; Y19-I23 VanDerWaalsContact O-CG1 3.22Å; Y19-I23 WeakPolarHBondContact O-CG1 3.41Å; Y19-I23 PolarHBondContact O-N 3.48Å; L20-I23 PolarHBondContact O-N 3.33Å; V21-I23 VanDerWaalsContact C-N 3.33Å; V21-I23 PolarHBondContact O-N 3.03Å; I23-Q25 VanDerWaalsContact C-N 3.29Å; I23-Q25 PolarHBondContact O-N 3.2Å; I23-I26 PolarHBondContact O-N 3.38Å; I23-F27 HydrophobicContact CG2-CD2 3.81Å; I23-F27 HydrophobicContact CG2-CE2 3.87Å; I23-F27 WeakPolarHBondContact O-CD2 3.47Å; I23-F27 PolarHBondContact O-N 3.14Å; I23-L217 HydrophobicContact CG2-CD1 3.84Å; I23-L217 HydrophobicContact CG2-CD2 4.44Å |
| 24 | S | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.6 | -40.7 | 177.6 | 77.7 | 0 | 0 | 0 | 0 | 111.6 | L20 V21 I22 F27 G28 F214 | L20-S24 WeakPolarHBondContact O-CB 3.45Å; L20-S24 PolarHBondContact O-N 3.22Å; V21-S24 PolarHBondContact O-N 3.06Å; V21-S24 PolarHBondContact O-OG 3.06Å; I22-S24 VanDerWaalsContact C-N 3.35Å; I22-S24 PolarHBondContact O-N 3.33Å; S24-F27 PolarHBondContact O-N 2.91Å; S24-G28 PolarHBondContact O-N 3.42Å; S24-F214 WeakPolarHBondContact O-CD2 3.42Å; S24-F214 WeakPolarHBondContact O-CE2 3.36Å |
| 25 | Q | 98.4 | Very high | 97 | Very high | 49 Ų | 49 | 55.6 Ų | 55.6 | 23% | 0.229 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.5 | -40 | 176.3 | -63.7 | -47.6 | -49.6 | 0 | 0 | 112.3 | V21 I22 I23 F27 G28 L29 D72 | V21-Q25 HydrophobicContact CG1-CG 4.49Å; V21-Q25 VanDerWaalsContact O-CG 3.31Å; V21-Q25 WeakPolarHBondContact O-CG 3.48Å; V21-Q25 PolarHBondContact O-N 3.32Å; I22-Q25 PolarHBondContact O-N 3.49Å; I23-Q25 VanDerWaalsContact C-N 3.29Å; I23-Q25 PolarHBondContact O-N 3.2Å; Q25-F27 PolarHBondContact O-N 3.32Å; Q25-G28 PolarHBondContact O-N 3.5Å; Q25-L29 WeakPolarHBondContact O-CB 3.49Å; Q25-L29 VanDerWaalsContact O-CG 3.31Å; Q25-L29 WeakPolarHBondContact O-CG 3.45Å; Q25-L29 PolarHBondContact O-N 3.37Å; Q25-D72 PolarHBondContact NE2-OD1 3.28Å; Q25-D72 PolarHBondContact OE1-OD1 3.39Å; Q25-D72 PolarHBondContact OE1-OD2 3.39Å |
| 26 | I | 98.5 | Very high | 97.5 | Very high | 98 Ų | 98 | 50.8 Ų | 50.8 | 50% | 0.503 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59.7 | -48 | 174.6 | -68.2 | 165.7 | 0 | 0 | 0 | 110.6 | I22 I23 L30 | I22-I26 HydrophobicContact CG2-CD1 4.04Å; I22-I26 WeakPolarHBondContact O-CG1 3.05Å; I22-I26 PolarHBondContact O-N 2.86Å; I23-I26 PolarHBondContact O-N 3.38Å; I26-L30 WeakPolarHBondContact O-CB 3.14Å; I26-L30 PolarHBondContact O-N 3.06Å |
| 27 | F | 98.6 | Very high | 97.8 | Very high | 60 Ų | 60 | 51.6 Ų | 51.6 | 26% | 0.263 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -66.9 | -38.4 | 178.9 | -86.6 | -93.6 | 0 | 0 | 0 | 112.8 | I23 S24 Q25 L30 A31 V210 V213 F214 L217 | I23-F27 HydrophobicContact CG2-CD2 3.81Å; I23-F27 HydrophobicContact CG2-CE2 3.87Å; I23-F27 WeakPolarHBondContact O-CD2 3.47Å; I23-F27 PolarHBondContact O-N 3.14Å; S24-F27 PolarHBondContact O-N 2.91Å; Q25-F27 PolarHBondContact O-N 3.32Å; F27-L30 PolarHBondContact O-N 3.02Å; F27-A31 PolarHBondContact O-N 3.44Å; F27-V210 HydrophobicContact CD1-CG1 4.12Å; F27-V213 HydrophobicContact CD1-CB 3.9Å; F27-V213 HydrophobicContact CD1-CG1 3.63Å; F27-V213 HydrophobicContact CD2-CG1 4.39Å; F27-V213 HydrophobicContact CE1-CB 3.86Å; F27-V213 HydrophobicContact CE1-CG1 3.45Å; F27-V213 VanDerWaalsContact CE1-CG1 3.45Å; F27-V213 HydrophobicContact CE1-CG2 4.36Å; F27-V213 HydrophobicContact CE2-CG1 4.23Å; F27-V213 HydrophobicContact CG-CG1 4.12Å; F27-V213 HydrophobicContact CZ-CG1 3.78Å; F27-F214 HydrophobicContact CB-CB 4.16Å; F27-F214 HydrophobicContact CB-CD2 4.29Å; F27-L217 HydrophobicContact CB-CD1 4.42Å; F27-L217 HydrophobicContact CD2-CD1 4.06Å; F27-L217 HydrophobicContact CG-CD1 4.32Å |
| 28 | G | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.1 | -48.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | S24 Q25 L30 A31 V32 | S24-G28 PolarHBondContact O-N 3.42Å; Q25-G28 PolarHBondContact O-N 3.5Å; G28-L30 PolarHBondContact O-N 3.14Å; G28-A31 WeakPolarHBondContact O-CB 3.37Å; G28-A31 PolarHBondContact O-N 2.99Å; G28-V32 PolarHBondContact O-N 3.29Å |
| 29 | L | 98.5 | Very high | 98.2 | Very high | 89 Ų | 89 | 46.7 Ų | 46.7 | 47% | 0.466 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64.2 | -40.5 | 175.4 | -68.9 | 174.3 | 0 | 0 | 0 | 111.8 | Q25 A31 V32 I33 F68 | Q25-L29 WeakPolarHBondContact O-CB 3.49Å; Q25-L29 VanDerWaalsContact O-CG 3.31Å; Q25-L29 WeakPolarHBondContact O-CG 3.45Å; Q25-L29 PolarHBondContact O-N 3.37Å; L29-A31 VanDerWaalsContact C-N 3.3Å; L29-A31 PolarHBondContact O-N 2.92Å; L29-V32 PolarHBondContact O-N 3.49Å; L29-I33 VanDerWaalsContact O-CG1 3.31Å; L29-I33 WeakPolarHBondContact O-CG1 3.04Å; L29-I33 PolarHBondContact O-N 3.09Å; L29-F68 HydrophobicContact CD2-CE1 4.03Å; L29-F68 HydrophobicContact CD2-CZ 3.79Å; L29-F68 HydrophobicContact CG-CZ 4.16Å |
| 30 | L | 98.6 | Very high | 98.3 | Very high | 67 Ų | 67 | 41 Ų | 41 | 35% | 0.351 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -58.6 | -42.2 | 174.7 | 179.9 | 63.1 | 0 | 0 | 0 | 111.3 | I26 F27 G28 V32 I33 L34 V210 | I26-L30 WeakPolarHBondContact O-CB 3.14Å; I26-L30 PolarHBondContact O-N 3.06Å; F27-L30 PolarHBondContact O-N 3.02Å; G28-L30 PolarHBondContact O-N 3.14Å; L30-V32 PolarHBondContact O-N 3.27Å; L30-I33 PolarHBondContact O-N 3.19Å; L30-L34 HydrophobicContact CD1-CD1 4.01Å; L30-L34 HydrophobicContact CD1-CD2 4.4Å; L30-L34 HydrophobicContact CD1-CG 3.86Å; L30-L34 HydrophobicContact CD2-CD1 4.44Å; L30-L34 HydrophobicContact CG-CD1 3.83Å; L30-L34 HydrophobicContact CG-CG 4.13Å; L30-L34 VanDerWaalsContact O-CB 3.26Å; L30-L34 WeakPolarHBondContact O-CB 3.38Å; L30-L34 VanDerWaalsContact O-CG 3.25Å; L30-L34 WeakPolarHBondContact O-CG 3.45Å; L30-L34 PolarHBondContact O-N 3.23Å; L30-V210 HydrophobicContact CB-CG1 4.47Å; L30-V210 HydrophobicContact CD2-CG1 4.26Å; L30-V210 HydrophobicContact CD2-CG2 4.03Å; L30-V210 HydrophobicContact CG-CG1 4.29Å |
| 31 | A | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.1 | -45 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | F27 G28 L29 T35 V63 L207 V210 L211 | F27-A31 PolarHBondContact O-N 3.44Å; G28-A31 WeakPolarHBondContact O-CB 3.37Å; G28-A31 PolarHBondContact O-N 2.99Å; L29-A31 VanDerWaalsContact C-N 3.3Å; L29-A31 PolarHBondContact O-N 2.92Å; A31-T35 WeakPolarHBondContact O-CB 3.31Å; A31-T35 PolarHBondContact O-N 3.47Å; A31-T35 PolarHBondContact O-OG1 2.88Å; A31-V63 HydrophobicContact CB-CG1 3.9Å; A31-L207 HydrophobicContact CB-CD1 4.08Å; A31-L207 WeakPolarHBondContact O-CD1 3.38Å; A31-V210 HydrophobicContact CB-CG1 3.93Å; A31-L211 HydrophobicContact CB-CD2 3.83Å |
| 32 | V | 98.8 | Very high | 98.2 | Very high | 26 Ų | 26 | 49.6 Ų | 49.6 | 16% | 0.158 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.5 | -47.3 | 177.7 | 178 | 0 | 0 | 0 | 0 | 110.8 | G28 L29 L30 T35 A36 L60 V63 L64 F68 | G28-V32 PolarHBondContact O-N 3.29Å; L29-V32 PolarHBondContact O-N 3.49Å; L30-V32 PolarHBondContact O-N 3.27Å; V32-T35 PolarHBondContact O-N 2.82Å; V32-A36 PolarHBondContact O-N 2.94Å; V32-L60 HydrophobicContact CG1-CD1 4.49Å; V32-V63 HydrophobicContact CG2-CG1 4.23Å; V32-L64 HydrophobicContact CG1-CD1 4.32Å; V32-L64 HydrophobicContact CG2-CD1 4.18Å; V32-F68 HydrophobicContact CG2-CB 4.03Å; V32-F68 HydrophobicContact CG2-CD1 4.27Å; V32-F68 HydrophobicContact CG2-CG 4.23Å |
| 33 | I | 98.6 | Very high | 98 | Very high | 101 Ų | 101 | 48 Ų | 48 | 52% | 0.518 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.5 | -46.8 | 179.8 | -67.3 | 166.4 | 0 | 0 | 0 | 110.9 | L29 L30 T35 A36 V37 | L29-I33 VanDerWaalsContact O-CG1 3.31Å; L29-I33 WeakPolarHBondContact O-CG1 3.04Å; L29-I33 PolarHBondContact O-N 3.09Å; L30-I33 PolarHBondContact O-N 3.19Å; I33-T35 VanDerWaalsContact C-N 3.29Å; I33-T35 PolarHBondContact O-N 2.99Å; I33-A36 PolarHBondContact O-N 3.25Å; I33-V37 HydrophobicContact CG2-CG2 4.27Å; I33-V37 WeakPolarHBondContact O-CG2 3.35Å; I33-V37 PolarHBondContact O-N 2.87Å |
| 34 | L | 98.4 | Very high | 97.9 | Very high | 25 Ų | 25 | 47.8 Ų | 47.8 | 13% | 0.131 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.2 | -42 | 176.7 | -76.3 | 177.1 | 0 | 0 | 0 | 111 | L30 V37 W38 I203 L206 L207 V210 | L30-L34 HydrophobicContact CD1-CD1 4.01Å; L30-L34 HydrophobicContact CD1-CD2 4.4Å; L30-L34 HydrophobicContact CD1-CG 3.86Å; L30-L34 HydrophobicContact CD2-CD1 4.44Å; L30-L34 HydrophobicContact CG-CD1 3.83Å; L30-L34 HydrophobicContact CG-CG 4.13Å; L30-L34 VanDerWaalsContact O-CB 3.26Å; L30-L34 WeakPolarHBondContact O-CB 3.38Å; L30-L34 VanDerWaalsContact O-CG 3.25Å; L30-L34 WeakPolarHBondContact O-CG 3.45Å; L30-L34 PolarHBondContact O-N 3.23Å; L34-V37 PolarHBondContact O-N 3.2Å; L34-W38 WeakPolarHBondContact O-CA 3.22Å; L34-W38 WeakPolarHBondContact O-CB 3.49Å; L34-W38 PolarHBondContact O-N 2.97Å; L34-I203 HydrophobicContact CD2-CG2 4.4Å; L34-L206 HydrophobicContact CD1-CD2 4.32Å; L34-L206 HydrophobicContact CD1-CG 4.24Å; L34-L206 HydrophobicContact CD2-CD2 4.49Å; L34-L207 HydrophobicContact CB-CD1 4.17Å; L34-V210 HydrophobicContact CD1-CB 4.47Å; L34-V210 HydrophobicContact CD1-CG2 3.93Å |
| 35 | T | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.5 | -45 | 176.9 | -52.3 | 0 | 0 | 0 | 0 | 111.4 | A31 V32 I33 W38 L39 P59 L60 V63 L207 | A31-T35 WeakPolarHBondContact O-CB 3.31Å; A31-T35 PolarHBondContact O-N 3.47Å; A31-T35 PolarHBondContact O-OG1 2.88Å; V32-T35 PolarHBondContact O-N 2.82Å; I33-T35 VanDerWaalsContact C-N 3.29Å; I33-T35 PolarHBondContact O-N 2.99Å; T35-W38 PolarHBondContact O-N 3.41Å; T35-L39 HydrophobicContact CG2-CD1 3.75Å; T35-L39 HydrophobicContact CG2-CG 4.47Å; T35-L39 WeakPolarHBondContact O-CB 3.45Å; T35-L39 VanDerWaalsContact O-CG 3.3Å; T35-L39 WeakPolarHBondContact O-CG 3.38Å; T35-L39 PolarHBondContact O-N 3.47Å; T35-P59 HydrophobicContact CG2-CB 4.33Å; T35-L60 HydrophobicContact CG2-CB 4.28Å; T35-L60 HydrophobicContact CG2-CD1 4.33Å; T35-V63 HydrophobicContact CG2-CG2 4.34Å; T35-L207 HydrophobicContact CG2-CD2 4.35Å; T35-L207 WeakPolarHBondContact OG1-CD1 3.34Å; T35-L207 VanDerWaalsContact OG1-CD2 3.25Å; T35-L207 WeakPolarHBondContact OG1-CD2 3.39Å |
| 36 | A | 98.6 | Very high | 97.8 | Very high | 37 Ų | 37 | 49.4 Ų | 49.4 | 31% | 0.306 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.6 | -44.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | V32 I33 G40 L60 | V32-A36 PolarHBondContact O-N 2.94Å; I33-A36 PolarHBondContact O-N 3.25Å; A36-G40 VanDerWaalsContact O-CA 3.31Å; A36-G40 WeakPolarHBondContact O-CA 3.48Å; A36-G40 PolarHBondContact O-N 3.32Å; A36-L60 HydrophobicContact CB-CD1 4.15Å |
| 37 | V | 98.2 | Very high | 97.8 | Very high | 66 Ų | 66 | 46.5 Ų | 46.5 | 40% | 0.4 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -67.2 | -43.9 | 177.5 | 171.3 | 0 | 0 | 0 | 0 | 111.1 | I33 L34 L39 K41 | I33-V37 HydrophobicContact CG2-CG2 4.27Å; I33-V37 WeakPolarHBondContact O-CG2 3.35Å; I33-V37 PolarHBondContact O-N 2.87Å; L34-V37 PolarHBondContact O-N 3.2Å; V37-L39 PolarHBondContact O-N 2.97Å; V37-K41 VanDerWaalsContact O-CB 3.22Å; V37-K41 WeakPolarHBondContact O-CB 3.37Å; V37-K41 PolarHBondContact O-N 3.11Å |
| 38 | W | 98.1 | Very high | 97.7 | Very high | 1 Ų | 1 | 48.3 Ų | 48.3 | 0% | 0.004 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -55.4 | -55.4 | 178.6 | -179.4 | 39.2 | 0 | 0 | 0 | 110.7 | L34 T35 Y42 W43 I184 K187 N188 G200 I203 L207 | L34-W38 WeakPolarHBondContact O-CA 3.22Å; L34-W38 WeakPolarHBondContact O-CB 3.49Å; L34-W38 PolarHBondContact O-N 2.97Å; T35-W38 PolarHBondContact O-N 3.41Å; W38-Y42 WeakPolarHBondContact O-CA 3.31Å; W38-Y42 VanDerWaalsContact O-CB 3.29Å; W38-Y42 WeakPolarHBondContact O-CB 3.44Å; W38-Y42 PolarHBondContact O-N 3.31Å; W38-W43 AromaticContact CD1-CD1 3.87Å; W38-W43 AromaticContact CD1-NE1 3.71Å; W38-W43 AromaticContact CE2-CD1 3.96Å; W38-W43 AromaticContact CE2-NE1 3.34Å; W38-W43 VanDerWaalsContact CE2-NE1 3.34Å; W38-W43 AromaticContact CZ2-NE1 3.71Å; W38-W43 AromaticContact NE1-CD1 3.71Å; W38-W43 AromaticContact NE1-NE1 3.08Å; W38-I184 HydrophobicContact CH2-CB 4.3Å; W38-I184 HydrophobicContact CH2-CG1 4.19Å; W38-I184 HydrophobicContact CH2-CG2 3.95Å; W38-I184 HydrophobicContact CZ3-CG1 4.04Å; W38-I184 HydrophobicContact CZ3-CG2 4.45Å; W38-K187 HydrophobicContact CH2-CB 4.04Å; W38-K187 HydrophobicContact CH2-CG 3.84Å; W38-K187 HydrophobicContact CZ2-CB 4.43Å; W38-K187 HydrophobicContact CZ2-CG 3.98Å; W38-N188 WeakPolarHBondContact CZ2-OD1 3.22Å; W38-G200 PolarHBondContact NE1-O 3.49Å; W38-I203 HydrophobicContact CB-CG2 3.69Å; W38-I203 HydrophobicContact CG-CG2 4.02Å; W38-L207 HydrophobicContact CE3-CD2 3.82Å; W38-L207 HydrophobicContact CZ3-CD2 4.05Å |
| 39 | L | 98 | Very high | 97.6 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -76 | -37.6 | -175.7 | -59.2 | 171.1 | 0 | 0 | 0 | 112 | T35 V37 W43 G45 F46 N56 P59 L60 | T35-L39 HydrophobicContact CG2-CD1 3.75Å; T35-L39 HydrophobicContact CG2-CG 4.47Å; T35-L39 WeakPolarHBondContact O-CB 3.45Å; T35-L39 VanDerWaalsContact O-CG 3.3Å; T35-L39 WeakPolarHBondContact O-CG 3.38Å; T35-L39 PolarHBondContact O-N 3.47Å; V37-L39 PolarHBondContact O-N 2.97Å; L39-W43 HydrophobicContact CD2-CB 4.31Å; L39-W43 HydrophobicContact CD2-CG 4.19Å; L39-W43 CarbonylContact O-C 3.58Å; L39-W43 WeakPolarHBondContact O-CA 3.3Å; L39-W43 WeakPolarHBondContact O-CB 3.46Å; L39-W43 PolarHBondContact O-N 3.45Å; L39-G45 PolarHBondContact O-N 3.4Å; L39-F46 HydrophobicContact CB-CE1 4.36Å; L39-F46 HydrophobicContact CB-CE2 4.33Å; L39-F46 HydrophobicContact CB-CZ 3.75Å; L39-F46 HydrophobicContact CD1-CE1 4.48Å; L39-F46 HydrophobicContact CD1-CZ 4.37Å; L39-N56 HydrophobicContact CB-CB 3.98Å; L39-N56 HydrophobicContact CD1-CB 4.33Å; L39-N56 WeakPolarHBondContact CD1-O 3.19Å; L39-P59 HydrophobicContact CD1-CB 3.93Å; L39-P59 HydrophobicContact CD1-CG 3.97Å; L39-P59 HydrophobicContact CD2-CG 4.34Å; L39-L60 HydrophobicContact CD1-CB 4.36Å |
| 40 | G | 97.7 | Very high | 97.5 | Very high | 30 Ų | 30 | 54.2 Ų | 54.2 | 31% | 0.309 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.2 | -48.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | A36 G45 | A36-G40 VanDerWaalsContact O-CA 3.31Å; A36-G40 WeakPolarHBondContact O-CA 3.48Å; A36-G40 PolarHBondContact O-N 3.32Å; G40-G45 WeakPolarHBondContact O-CA 3.18Å; G40-G45 PolarHBondContact O-N 3.14Å |
| 41 | K | 97 | Very high | 97.3 | Very high | 152 Ų | 152 | 52.3 Ų | 52.3 | 66% | 0.661 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -91.4 | -35.2 | -173.2 | -174.9 | 175 | 176.4 | -174.6 | 0 | 113.5 | V37 | V37-K41 VanDerWaalsContact O-CB 3.22Å; V37-K41 WeakPolarHBondContact O-CB 3.37Å; V37-K41 PolarHBondContact O-N 3.11Å |
| 42 | Y | 95.3 | Very high | 97 | Very high | 83 Ų | 83 | 57.3 Ų | 57.3 | 33% | 0.325 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -108.8 | -12.6 | -170.6 | -56 | -85.9 | 0 | 0 | 0 | 113.9 | W38 A199 I203 | W38-Y42 WeakPolarHBondContact O-CA 3.31Å; W38-Y42 VanDerWaalsContact O-CB 3.29Å; W38-Y42 WeakPolarHBondContact O-CB 3.44Å; W38-Y42 PolarHBondContact O-N 3.31Å; Y42-A199 HydrophobicContact CE1-CB 3.67Å; Y42-I203 HydrophobicContact CD2-CD1 4.03Å; Y42-I203 HydrophobicContact CE2-CD1 3.26Å |
| 43 | W | 94.8 | Very high | 96.9 | Very high | 55 Ų | 55 | 56.9 Ų | 56.9 | 21% | 0.208 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -122.3 | 24.4 | -179.2 | -65.5 | 97.9 | 0 | 0 | 0 | 114.1 | W38 L39 N56 K187 | W38-W43 AromaticContact CD1-CD1 3.87Å; W38-W43 AromaticContact CD1-NE1 3.71Å; W38-W43 AromaticContact CE2-CD1 3.96Å; W38-W43 AromaticContact CE2-NE1 3.34Å; W38-W43 VanDerWaalsContact CE2-NE1 3.34Å; W38-W43 AromaticContact CZ2-NE1 3.71Å; W38-W43 AromaticContact NE1-CD1 3.71Å; W38-W43 AromaticContact NE1-NE1 3.08Å; L39-W43 HydrophobicContact CD2-CB 4.31Å; L39-W43 HydrophobicContact CD2-CG 4.19Å; L39-W43 CarbonylContact O-C 3.58Å; L39-W43 WeakPolarHBondContact O-CA 3.3Å; L39-W43 WeakPolarHBondContact O-CB 3.46Å; L39-W43 PolarHBondContact O-N 3.45Å; W43-N56 PolarHBondContact O-ND2 3.24Å; W43-K187 HydrophobicContact CD2-CD 4.36Å; W43-K187 HydrophobicContact CE3-CD 4.28Å; W43-K187 HydrophobicContact CH2-CD 3.94Å; W43-K187 HydrophobicContact CH2-CG 4.23Å; W43-K187 WeakPolarHBondContact CH2-O 3.49Å; W43-K187 HydrophobicContact CZ2-CD 4.02Å; W43-K187 HydrophobicContact CZ2-CG 3.85Å; W43-K187 WeakPolarHBondContact CZ2-O 3.35Å; W43-K187 HydrophobicContact CZ3-CD 4.07Å |
| 44 | G | 95.1 | Very high | 96.9 | Very high | 65 Ų | 65 | 52.2 Ų | 52.2 | 67% | 0.67 | 30% | 0.298 | S | S | * | . | trans | 84.6 | 9.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | T53 | G44-T53 WeakPolarHBondContact O-CG2 3.31Š| ||
| 45 | G | 97.4 | Very high | 96.8 | Very high | 15 Ų | 15 | 52.1 Ų | 52.1 | 16% | 0.155 | 30% | 0.296 | C | S | . | . | trans | 87.5 | -163.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | L39 G40 N56 | L39-G45 PolarHBondContact O-N 3.4Å; G40-G45 WeakPolarHBondContact O-CA 3.18Å; G40-G45 PolarHBondContact O-N 3.14Å; G45-N56 PolarHBondContact O-ND2 2.94Å | ||
| 46 | F | 98.2 | Very high | 96.8 | Very high | 67 Ų | 67 | 52.1 Ų | 52.1 | 29% | 0.294 | 30% | 0.296 | S | S | . | . | trans | -122.8 | 118.8 | -176.1 | -64.4 | -93.1 | 0 | 0 | 0 | 109.7 | L39 N56 Y57 L60 | L39-F46 HydrophobicContact CB-CE1 4.36Å; L39-F46 HydrophobicContact CB-CE2 4.33Å; L39-F46 HydrophobicContact CB-CZ 3.75Å; L39-F46 HydrophobicContact CD1-CE1 4.48Å; L39-F46 HydrophobicContact CD1-CZ 4.37Å; F46-N56 HydrophobicContact CD1-CB 3.93Å; F46-N56 HydrophobicContact CE1-CB 3.87Å; F46-N56 VanDerWaalsContact CE1-O 3.3Å; F46-N56 WeakPolarHBondContact CE1-O 3.25Å; F46-Y57 HydrophobicContact CB-CE1 4.33Å; F46-Y57 HydrophobicContact CB-CE2 4.04Å; F46-Y57 HydrophobicContact CD1-CD1 4.07Å; F46-Y57 HydrophobicContact CD1-CD2 4.37Å; F46-Y57 HydrophobicContact CD1-CE1 4.06Å; F46-Y57 HydrophobicContact CD1-CE2 4.36Å; F46-Y57 HydrophobicContact CD1-CG 4.23Å; F46-L60 HydrophobicContact CD1-CD2 4.38Å; F46-L60 HydrophobicContact CE1-CB 4.08Å; F46-L60 HydrophobicContact CE1-CD2 3.58Å; F46-L60 HydrophobicContact CE1-CG 4.45Å; F46-L60 HydrophobicContact CZ-CB 4.46Å; F46-L60 HydrophobicContact CZ-CD2 3.81Å | ||
| 47 | S | 97.9 | Very high | 96.8 | Very high | 37 Ų | 37 | 53 Ų | 53 | 26% | 0.259 | 29% | 0.292 | S | S | . | . | trans | -150.9 | 129.8 | 170.5 | 175.8 | 0 | 0 | 0 | 0 | 109.7 | T49 T53 V54 | S47-T49 VanDerWaalsContact C-N 3.25Å; S47-T49 PolarHBondContact OG-N 3.02Å; S47-T49 PolarHBondContact OG-OG1 3.3Å; S47-T53 WeakPolarHBondContact CB-OG1 3.49Å; S47-T53 PolarHBondContact N-OG1 3.37Å; S47-T53 CarbonylContact O-C 3.57Å; S47-T53 PolarHBondContact O-OG1 3.29Å; S47-V54 VanDerWaalsContact O-CA 3.3Å; S47-V54 WeakPolarHBondContact O-CA 3.17Å; S47-V54 PolarHBondContact O-N 3.2Å; S47-V54 VanDerWaalsContact O-N 3.12Å | ||
| 48 | W | 96.6 | Very high | 96.8 | Very high | 99 Ų | 99 | 50.8 Ų | 50.8 | 38% | 0.375 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -13.9 | 175.9 | -143.4 | -72.9 | 0 | 0 | 0 | 112.5 | V54 Y57 F61 K108 A109 D112 | W48-V54 HydrophobicContact CD2-CG2 3.87Å; W48-V54 HydrophobicContact CE3-CG2 4.44Å; W48-V54 HydrophobicContact CG-CG2 3.95Å; W48-V54 HydrophobicContact CZ2-CG2 4.35Å; W48-Y57 HydrophobicContact CD2-CD2 4.46Å; W48-Y57 HydrophobicContact CD2-CE2 4.5Å; W48-Y57 HydrophobicContact CE3-CD1 4.39Å; W48-Y57 AromaticContact CE3-CD2 3.53Å; W48-Y57 HydrophobicContact CE3-CD2 3.53Å; W48-Y57 HydrophobicContact CE3-CE1 4.42Å; W48-Y57 AromaticContact CE3-CE2 3.58Å; W48-Y57 HydrophobicContact CE3-CE2 3.58Å; W48-Y57 AromaticContact CE3-CG 3.96Å; W48-Y57 HydrophobicContact CE3-CG 3.96Å; W48-Y57 AromaticContact CZ3-CD1 4Å; W48-Y57 HydrophobicContact CZ3-CD1 4Å; W48-Y57 AromaticContact CZ3-CD2 3.67Å; W48-Y57 HydrophobicContact CZ3-CD2 3.67Å; W48-Y57 HydrophobicContact CZ3-CE1 4.4Å; W48-Y57 HydrophobicContact CZ3-CE2 4.11Å; W48-Y57 AromaticContact CZ3-CG 3.6Å; W48-Y57 HydrophobicContact CZ3-CG 3.6Å; W48-F61 HydrophobicContact CZ3-CE2 4.27Å; W48-K108 HydrophobicContact CZ2-CD 4.37Å; W48-A109 HydrophobicContact CH2-CB 4.1Å; W48-A109 HydrophobicContact CZ2-CB 4.25Å; W48-D112 PolarHBondContact NE1-OD2 2.74Å; W48-D112 VanDerWaalsContact NE1-OD2 3.14Å |
| 49 | T | 96.2 | Very high | 96.8 | Very high | 138 Ų | 138 | 51.6 Ų | 51.6 | 85% | 0.847 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -9.8 | -178.9 | 60.8 | 0 | 0 | 0 | 0 | 113.4 | S47 | S47-T49 VanDerWaalsContact C-N 3.25Å; S47-T49 PolarHBondContact OG-N 3.02Å; S47-T49 PolarHBondContact OG-OG1 3.3Å |
| 50 | N | 97.2 | Very high | 96.9 | Very high | 75 Ų | 75 | 52.9 Ų | 52.9 | 40% | 0.401 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -114.1 | 125.1 | 179.1 | 173.7 | -60.4 | 0 | 0 | 0 | 110.1 | N52 T53 V54 | N50-N52 VanDerWaalsContact C-N 3.29Å; N50-N52 PolarHBondContact O-N 3.32Å; N50-N52 WeakPolarHBondContact OD1-CB 3.31Å; N50-N52 PolarHBondContact OD1-N 3.42Å; N50-T53 VanDerWaalsContact CB-OG1 3.32Å; N50-T53 WeakPolarHBondContact CB-OG1 3.27Å; N50-T53 PolarHBondContact O-N 3.36Å; N50-T53 PolarHBondContact O-OG1 2.86Å; N50-T53 PolarHBondContact OD1-N 3.46Å; N50-T53 VanDerWaalsContact OD1-N 3.11Å; N50-T53 PolarHBondContact OD1-OG1 2.8Å; N50-V54 WeakPolarHBondContact O-CB 3.23Å; N50-V54 PolarHBondContact O-N 3.18Å |
| 51 | A | 93.4 | Very high | 96.9 | Very high | 27 Ų | 27 | 52.7 Ų | 52.7 | 22% | 0.223 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.8 | -33.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | V54 M113 A116 L117 | A51-V54 VanDerWaalsContact O-CG1 3.3Å; A51-V54 WeakPolarHBondContact O-CG1 3.16Å; A51-M113 WeakPolarHBondContact O-CB 3.11Å; A51-M113 WeakPolarHBondContact O-CG 3.49Å; A51-A116 HydrophobicContact CB-CB 3.77Å; A51-L117 HydrophobicContact CB-CD2 3.9Å; A51-L117 HydrophobicContact CB-CG 4.1Å |
| 52 | N | 91.9 | Very high | 97 | Very high | 105 Ų | 105 | 46.5 Ų | 46.5 | 56% | 0.561 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -77.7 | -41.9 | 179.2 | -69.3 | -55.8 | 0 | 0 | 0 | 111.8 | N50 L117 | N50-N52 VanDerWaalsContact C-N 3.29Å; N50-N52 PolarHBondContact O-N 3.32Å; N50-N52 WeakPolarHBondContact OD1-CB 3.31Å; N50-N52 PolarHBondContact OD1-N 3.42Å; N52-L117 WeakPolarHBondContact OD1-CD1 3.49Å |
| 53 | T | 97.1 | Very high | 97.2 | Very high | 16 Ų | 16 | 42.7 Ų | 42.7 | 10% | 0.098 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -84 | -18.5 | -176.2 | 58.8 | 0 | 0 | 0 | 0 | 113.4 | G44 S47 N50 F55 N56 | G44-T53 WeakPolarHBondContact O-CG2 3.31Å; S47-T53 WeakPolarHBondContact CB-OG1 3.49Å; S47-T53 PolarHBondContact N-OG1 3.37Å; S47-T53 CarbonylContact O-C 3.57Å; S47-T53 PolarHBondContact O-OG1 3.29Å; N50-T53 VanDerWaalsContact CB-OG1 3.32Å; N50-T53 WeakPolarHBondContact CB-OG1 3.27Å; N50-T53 PolarHBondContact O-N 3.36Å; N50-T53 PolarHBondContact O-OG1 2.86Å; N50-T53 PolarHBondContact OD1-N 3.46Å; N50-T53 VanDerWaalsContact OD1-N 3.11Å; N50-T53 PolarHBondContact OD1-OG1 2.8Å; T53-F55 PolarHBondContact O-N 2.97Å; T53-N56 WeakPolarHBondContact O-CB 3.41Å; T53-N56 PolarHBondContact O-N 3.45Å; T53-N56 VanDerWaalsContact O-N 3.08Å |
| 54 | V | 98.1 | Very high | 97.4 | Very high | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.024 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.3 | -35.1 | 173.9 | 67.5 | 0 | 0 | 0 | 0 | 110.4 | S47 W48 N50 A51 N56 Y57 A109 M113 | S47-V54 VanDerWaalsContact O-CA 3.3Å; S47-V54 WeakPolarHBondContact O-CA 3.17Å; S47-V54 PolarHBondContact O-N 3.2Å; S47-V54 VanDerWaalsContact O-N 3.12Å; W48-V54 HydrophobicContact CD2-CG2 3.87Å; W48-V54 HydrophobicContact CE3-CG2 4.44Å; W48-V54 HydrophobicContact CG-CG2 3.95Å; W48-V54 HydrophobicContact CZ2-CG2 4.35Å; N50-V54 WeakPolarHBondContact O-CB 3.23Å; N50-V54 PolarHBondContact O-N 3.18Å; A51-V54 VanDerWaalsContact O-CG1 3.3Å; A51-V54 WeakPolarHBondContact O-CG1 3.16Å; V54-N56 PolarHBondContact O-N 2.89Å; V54-N56 VanDerWaalsContact O-N 3.09Å; V54-Y57 WeakPolarHBondContact O-CB 3.34Å; V54-Y57 WeakPolarHBondContact O-CD2 3.46Å; V54-Y57 PolarHBondContact O-N 3.04Å; V54-Y57 VanDerWaalsContact O-N 3.09Å; V54-A109 HydrophobicContact CG2-CB 4.18Å; V54-A109 WeakPolarHBondContact O-CB 3.5Å; V54-M113 HydrophobicContact CG1-CB 3.96Å |
| 55 | F | 97.6 | Very high | 97.5 | Very high | 22 Ų | 22 | 38.9 Ų | 38.9 | 10% | 0.096 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -31.1 | 173.8 | 179.1 | -91.1 | 0 | 0 | 0 | 112.8 | T53 Y57 H58 P59 V110 M113 K187 | T53-F55 PolarHBondContact O-N 2.97Å; F55-Y57 PolarHBondContact O-N 3.27Å; F55-Y57 VanDerWaalsContact O-N 3.15Å; F55-H58 WeakPolarHBondContact O-CA 3.27Å; F55-H58 WeakPolarHBondContact O-CB 3.32Å; F55-H58 PolarHBondContact O-N 2.88Å; F55-P59 HydrophobicContact CE1-CG 4.03Å; F55-P59 WeakPolarHBondContact O-CD 3.2Å; F55-V110 HydrophobicContact CD2-CB 4.17Å; F55-V110 HydrophobicContact CD2-CG2 3.91Å; F55-V110 HydrophobicContact CE2-CB 4.29Å; F55-V110 HydrophobicContact CE2-CG2 3.81Å; F55-M113 HydrophobicContact CB-CB 4.37Å; F55-M113 HydrophobicContact CB-CE 4.14Å; F55-M113 HydrophobicContact CB-CG 4.22Å; F55-M113 HydrophobicContact CD2-CE 3.34Å; F55-M113 HydrophobicContact CE2-CE 3.99Å; F55-M113 HydrophobicContact CG-CE 3.96Å; F55-K187 HydrophobicContact CD1-CD 4.45Å; F55-K187 HydrophobicContact CE1-CD 3.79Å |
| 56 | N | 98.1 | Very high | 97.6 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -21.5 | -177.3 | -67.7 | -17.3 | 0 | 0 | 0 | 112.9 | L39 W43 G45 F46 T53 V54 H58 | L39-N56 HydrophobicContact CB-CB 3.98Å; L39-N56 HydrophobicContact CD1-CB 4.33Å; L39-N56 WeakPolarHBondContact CD1-O 3.19Å; W43-N56 PolarHBondContact O-ND2 3.24Å; G45-N56 PolarHBondContact O-ND2 2.94Å; F46-N56 HydrophobicContact CD1-CB 3.93Å; F46-N56 HydrophobicContact CE1-CB 3.87Å; F46-N56 VanDerWaalsContact CE1-O 3.3Å; F46-N56 WeakPolarHBondContact CE1-O 3.25Å; T53-N56 WeakPolarHBondContact O-CB 3.41Å; T53-N56 PolarHBondContact O-N 3.45Å; T53-N56 VanDerWaalsContact O-N 3.08Å; V54-N56 PolarHBondContact O-N 2.89Å; V54-N56 VanDerWaalsContact O-N 3.09Å; N56-H58 PolarHBondContact O-N 2.91Å |
| 57 | Y | 98.7 | Very high | 97.6 | Very high | 55 Ų | 55 | 35.5 Ų | 35.5 | 22% | 0.216 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.9 | -27.9 | 169.3 | -72.7 | -77.1 | 0 | 0 | 0 | 112.7 | F46 W48 V54 F55 F61 | F46-Y57 HydrophobicContact CB-CE1 4.33Å; F46-Y57 HydrophobicContact CB-CE2 4.04Å; F46-Y57 HydrophobicContact CD1-CD1 4.07Å; F46-Y57 HydrophobicContact CD1-CD2 4.37Å; F46-Y57 HydrophobicContact CD1-CE1 4.06Å; F46-Y57 HydrophobicContact CD1-CE2 4.36Å; F46-Y57 HydrophobicContact CD1-CG 4.23Å; W48-Y57 HydrophobicContact CD2-CD2 4.46Å; W48-Y57 HydrophobicContact CD2-CE2 4.5Å; W48-Y57 HydrophobicContact CE3-CD1 4.39Å; W48-Y57 AromaticContact CE3-CD2 3.53Å; W48-Y57 HydrophobicContact CE3-CD2 3.53Å; W48-Y57 HydrophobicContact CE3-CE1 4.42Å; W48-Y57 AromaticContact CE3-CE2 3.58Å; W48-Y57 HydrophobicContact CE3-CE2 3.58Å; W48-Y57 AromaticContact CE3-CG 3.96Å; W48-Y57 HydrophobicContact CE3-CG 3.96Å; W48-Y57 AromaticContact CZ3-CD1 4Å; W48-Y57 HydrophobicContact CZ3-CD1 4Å; W48-Y57 AromaticContact CZ3-CD2 3.67Å; W48-Y57 HydrophobicContact CZ3-CD2 3.67Å; W48-Y57 HydrophobicContact CZ3-CE1 4.4Å; W48-Y57 HydrophobicContact CZ3-CE2 4.11Å; W48-Y57 AromaticContact CZ3-CG 3.6Å; W48-Y57 HydrophobicContact CZ3-CG 3.6Å; V54-Y57 WeakPolarHBondContact O-CB 3.34Å; V54-Y57 WeakPolarHBondContact O-CD2 3.46Å; V54-Y57 PolarHBondContact O-N 3.04Å; V54-Y57 VanDerWaalsContact O-N 3.09Å; F55-Y57 PolarHBondContact O-N 3.27Å; F55-Y57 VanDerWaalsContact O-N 3.15Å; Y57-F61 HydrophobicContact CD1-CE1 4.2Å; Y57-F61 AromaticContact CD1-CE2 3.93Å; Y57-F61 HydrophobicContact CD1-CE2 3.93Å; Y57-F61 AromaticContact CD1-CZ 3.64Å; Y57-F61 HydrophobicContact CD1-CZ 3.64Å; Y57-F61 HydrophobicContact CE1-CZ 4.32Å; Y57-F61 HydrophobicContact CG-CE2 4.37Å; Y57-F61 VanDerWaalsContact O-CB 3.29Å; Y57-F61 WeakPolarHBondContact O-CB 3.38Å; Y57-F61 VanDerWaalsContact O-CG 3.28Å; Y57-F61 WeakPolarHBondContact O-CG 3.43Å; Y57-F61 PolarHBondContact O-N 3Å |
| 58 | H | 98.5 | Very high | 97.7 | Very high | 19 Ų | 19 | 34.9 Ų | 34.9 | 9% | 0.088 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.2 | -64.1 | -178.8 | 172.3 | 83.3 | 0 | 0 | 0 | 112 | F55 N56 L60 F61 M62 G106 V110 H126 | F55-H58 WeakPolarHBondContact O-CA 3.27Å; F55-H58 WeakPolarHBondContact O-CB 3.32Å; F55-H58 PolarHBondContact O-N 2.88Å; N56-H58 PolarHBondContact O-N 2.91Å; H58-L60 VanDerWaalsContact C-N 3.29Å; H58-L60 PolarHBondContact O-N 3.5Å; H58-F61 PolarHBondContact O-N 3.08Å; H58-M62 WeakPolarHBondContact CE1-CE 3.43Å; H58-M62 VanDerWaalsContact ND1-CE 3.34Å; H58-M62 WeakPolarHBondContact ND1-CE 3.37Å; H58-M62 VanDerWaalsContact O-CG 3.29Å; H58-M62 WeakPolarHBondContact O-CG 3.32Å; H58-M62 PolarHBondContact O-N 3.06Å; H58-G106 VanDerWaalsContact CB-O 3.29Å; H58-G106 WeakPolarHBondContact CB-O 3.24Å; H58-G106 PolarHBondContact ND1-O 3.25Å; H58-V110 HydrophobicContact CB-CB 4.45Å; H58-H126 AromaticContact NE2-NE2 3.84Å |
| 59 | P | 98.6 | Very high | 97.8 | Very high | 18 Ų | 18 | 31.4 Ų | 31.4 | 12% | 0.117 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.8 | -33.9 | -177.9 | -12.9 | 24.9 | 0 | 0 | 0 | 112.6 | T35 L39 F55 F61 M62 V63 | T35-P59 HydrophobicContact CG2-CB 4.33Å; L39-P59 HydrophobicContact CD1-CB 3.93Å; L39-P59 HydrophobicContact CD1-CG 3.97Å; L39-P59 HydrophobicContact CD2-CG 4.34Å; F55-P59 HydrophobicContact CE1-CG 4.03Å; F55-P59 WeakPolarHBondContact O-CD 3.2Å; P59-F61 PolarHBondContact O-N 3.28Å; P59-M62 PolarHBondContact O-N 3.44Å; P59-V63 WeakPolarHBondContact O-CG2 3.33Å; P59-V63 PolarHBondContact O-N 2.91Å |
| 60 | L | 98.7 | Very high | 97.9 | Very high | 27 Ų | 27 | 25 Ų | 25 | 14% | 0.141 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59.1 | -48.7 | 176.1 | 179.3 | 61.8 | 0 | 0 | 0 | 111.6 | V32 T35 A36 L39 F46 H58 V63 L64 | V32-L60 HydrophobicContact CG1-CD1 4.49Å; T35-L60 HydrophobicContact CG2-CB 4.28Å; T35-L60 HydrophobicContact CG2-CD1 4.33Å; A36-L60 HydrophobicContact CB-CD1 4.15Å; L39-L60 HydrophobicContact CD1-CB 4.36Å; F46-L60 HydrophobicContact CD1-CD2 4.38Å; F46-L60 HydrophobicContact CE1-CB 4.08Å; F46-L60 HydrophobicContact CE1-CD2 3.58Å; F46-L60 HydrophobicContact CE1-CG 4.45Å; F46-L60 HydrophobicContact CZ-CB 4.46Å; F46-L60 HydrophobicContact CZ-CD2 3.81Å; H58-L60 VanDerWaalsContact C-N 3.29Å; H58-L60 PolarHBondContact O-N 3.5Å; L60-V63 PolarHBondContact O-N 2.92Å; L60-L64 VanDerWaalsContact O-CB 3.27Å; L60-L64 WeakPolarHBondContact O-CB 3.17Å; L60-L64 PolarHBondContact O-N 3.34Å |
| 61 | F | 98.8 | Very high | 98 | Very high | 27 Ų | 27 | 21.5 Ų | 21.5 | 12% | 0.118 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -73.8 | -28.4 | 179.6 | -67.9 | -17 | 0 | 0 | 0 | 113.2 | W48 Y57 H58 P59 G65 F102 L105 | W48-F61 HydrophobicContact CZ3-CE2 4.27Å; Y57-F61 HydrophobicContact CD1-CE1 4.2Å; Y57-F61 AromaticContact CD1-CE2 3.93Å; Y57-F61 HydrophobicContact CD1-CE2 3.93Å; Y57-F61 AromaticContact CD1-CZ 3.64Å; Y57-F61 HydrophobicContact CD1-CZ 3.64Å; Y57-F61 HydrophobicContact CE1-CZ 4.32Å; Y57-F61 HydrophobicContact CG-CE2 4.37Å; Y57-F61 VanDerWaalsContact O-CB 3.29Å; Y57-F61 WeakPolarHBondContact O-CB 3.38Å; Y57-F61 VanDerWaalsContact O-CG 3.28Å; Y57-F61 WeakPolarHBondContact O-CG 3.43Å; Y57-F61 PolarHBondContact O-N 3Å; H58-F61 PolarHBondContact O-N 3.08Å; P59-F61 PolarHBondContact O-N 3.28Å; F61-G65 WeakPolarHBondContact O-CA 3.34Å; F61-G65 PolarHBondContact O-N 3.02Å; F61-F102 HydrophobicContact CB-CB 4.17Å; F61-F102 HydrophobicContact CB-CD1 4.3Å; F61-F102 WeakPolarHBondContact CB-O 3.36Å; F61-F102 AromaticContact CD1-CD1 3.56Å; F61-F102 HydrophobicContact CD1-CD1 3.56Å; F61-F102 AromaticContact CD1-CE1 3.99Å; F61-F102 HydrophobicContact CD1-CE1 3.99Å; F61-F102 HydrophobicContact CD2-CD1 4.44Å; F61-F102 AromaticContact CE1-CD1 3.88Å; F61-F102 HydrophobicContact CE1-CD1 3.88Å; F61-F102 AromaticContact CE1-CE1 3.91Å; F61-F102 HydrophobicContact CE1-CE1 3.91Å; F61-F102 AromaticContact CG-CD1 3.87Å; F61-F102 HydrophobicContact CG-CD1 3.87Å; F61-F102 HydrophobicContact CZ-CD1 4.45Å; F61-L105 HydrophobicContact CD2-CB 3.7Å; F61-L105 HydrophobicContact CE2-CB 3.76Å; F61-L105 HydrophobicContact CE2-CD1 4.34Å |
| 62 | M | 98.8 | Very high | 98.2 | Very high | 21 Ų | 21 | 21.6 Ų | 21.6 | 10% | 0.103 | 11% | 0.108 | C | C | . | . | I | π-helix | trans | -64.6 | -46.4 | 170.9 | -65.4 | -49.4 | 153 | 0 | 0 | 111.5 | H58 P59 L66 V67 G103 I107 | H58-M62 WeakPolarHBondContact CE1-CE 3.43Å; H58-M62 VanDerWaalsContact ND1-CE 3.34Å; H58-M62 WeakPolarHBondContact ND1-CE 3.37Å; H58-M62 VanDerWaalsContact O-CG 3.29Å; H58-M62 WeakPolarHBondContact O-CG 3.32Å; H58-M62 PolarHBondContact O-N 3.06Å; P59-M62 PolarHBondContact O-N 3.44Å; M62-L66 CarbonylContact O-C 3.52Å; M62-L66 WeakPolarHBondContact O-CA 3.44Å; M62-L66 WeakPolarHBondContact O-CB 3.38Å; M62-L66 PolarHBondContact O-N 2.88Å; M62-L66 HydrophobicContact SD-CD1 3.57Å; M62-L66 VanDerWaalsContact SD-CD1 3.57Å; M62-L66 HydrophobicContact SD-CG 4.33Å; M62-V67 PolarHBondContact O-N 2.79Å; M62-V67 VanDerWaalsContact O-N 3.12Å; M62-G103 WeakPolarHBondContact CE-O 3.37Å; M62-I107 HydrophobicContact CE-CG1 3.76Å |
| 63 | V | 98.9 | Very high | 98.5 | Very high | 3 Ų | 3 | 16.6 Ų | 16.6 | 2% | 0.018 | 8% | 0.081 | C | C | . | . | I | π-helix | trans | -70 | -44.3 | 179 | 174.3 | 0 | 0 | 0 | 0 | 111.3 | A31 V32 T35 P59 L60 V67 F68 L211 | A31-V63 HydrophobicContact CB-CG1 3.9Å; V32-V63 HydrophobicContact CG2-CG1 4.23Å; T35-V63 HydrophobicContact CG2-CG2 4.34Å; P59-V63 WeakPolarHBondContact O-CG2 3.33Å; P59-V63 PolarHBondContact O-N 2.91Å; L60-V63 PolarHBondContact O-N 2.92Å; V63-V67 VanDerWaalsContact O-CB 3.32Å; V63-V67 WeakPolarHBondContact O-CB 3.46Å; V63-V67 PolarHBondContact O-N 2.78Å; V63-F68 PolarHBondContact O-N 3.49Å; V63-L211 HydrophobicContact CG1-CD2 4.13Å; V63-L211 HydrophobicContact CG2-CD2 4.27Å |
| 64 | L | 98.8 | Very high | 98.6 | Very high | 40 Ų | 40 | 17.3 Ų | 17.3 | 21% | 0.209 | 8% | 0.084 | C | C | . | . | I | π-helix | trans | -64.7 | -52 | 177.9 | 176.9 | 59.5 | 0 | 0 | 0 | 111.8 | V32 L60 F68 L69 F102 | V32-L64 HydrophobicContact CG1-CD1 4.32Å; V32-L64 HydrophobicContact CG2-CD1 4.18Å; L60-L64 VanDerWaalsContact O-CB 3.27Å; L60-L64 WeakPolarHBondContact O-CB 3.17Å; L60-L64 PolarHBondContact O-N 3.34Å; L64-F68 HydrophobicContact CD1-CD1 4.27Å; L64-L69 WeakPolarHBondContact O-CG 3.5Å; L64-L69 PolarHBondContact O-N 3.38Å; L64-F102 HydrophobicContact CD2-CD1 4.18Å; L64-F102 HydrophobicContact CD2-CD2 4.4Å; L64-F102 HydrophobicContact CD2-CE1 3.72Å; L64-F102 HydrophobicContact CD2-CE2 3.97Å; L64-F102 HydrophobicContact CD2-CZ 3.61Å; L64-F102 HydrophobicContact CG-CD2 4.41Å; L64-F102 HydrophobicContact CG-CE2 4.27Å; L64-F102 HydrophobicContact CG-CZ 4.4Å |
| 65 | G | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 8% | 0.084 | C | C | . | . | I | π-helix | trans | -77.7 | -66.5 | -175 | 0 | 0 | 0 | 0 | 0 | 112.7 | F61 L69 Y70 A99 | F61-G65 WeakPolarHBondContact O-CA 3.34Å; F61-G65 PolarHBondContact O-N 3.02Å; G65-L69 WeakPolarHBondContact O-CB 3.19Å; G65-Y70 PolarHBondContact O-N 2.87Å; G65-A99 WeakPolarHBondContact O-CB 3.2Å |
| 66 | L | 98.6 | Very high | 98.6 | Very high | 12 Ų | 12 | 16.5 Ų | 16.5 | 6% | 0.063 | 8% | 0.081 | C | C | . | . | I | π-helix | trans | -83.6 | -15.1 | -167.3 | -56 | -178.4 | 0 | 0 | 0 | 113.7 | M62 Y70 I134 F137 V176 | M62-L66 CarbonylContact O-C 3.52Å; M62-L66 WeakPolarHBondContact O-CA 3.44Å; M62-L66 WeakPolarHBondContact O-CB 3.38Å; M62-L66 PolarHBondContact O-N 2.88Å; M62-L66 HydrophobicContact SD-CD1 3.57Å; M62-L66 VanDerWaalsContact SD-CD1 3.57Å; M62-L66 HydrophobicContact SD-CG 4.33Å; L66-Y70 WeakPolarHBondContact O-CB 3.4Å; L66-Y70 VanDerWaalsContact O-CD1 3.31Å; L66-Y70 WeakPolarHBondContact O-CD1 3.41Å; L66-I134 HydrophobicContact CD1-CD1 4.06Å; L66-I134 HydrophobicContact CD2-CD1 4.04Å; L66-F137 HydrophobicContact CD2-CD2 4.38Å; L66-F137 HydrophobicContact CD2-CE2 4.3Å; L66-V176 HydrophobicContact CB-CG1 3.67Å; L66-V176 WeakPolarHBondContact O-CG1 3.15Å |
| 67 | V | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 9% | 0.092 | C | C | . | . | I | π-helix | trans | -98.9 | -66.8 | 170.8 | 179.3 | 0 | 0 | 0 | 0 | 110.8 | M62 V63 G71 Y173 V176 I177 L211 F214 | M62-V67 PolarHBondContact O-N 2.79Å; M62-V67 VanDerWaalsContact O-N 3.12Å; V63-V67 VanDerWaalsContact O-CB 3.32Å; V63-V67 WeakPolarHBondContact O-CB 3.46Å; V63-V67 PolarHBondContact O-N 2.78Å; V67-G71 PolarHBondContact O-N 3.4Å; V67-Y173 PolarHBondContact O-OH 3.11Å; V67-V176 HydrophobicContact CG2-CG1 4.24Å; V67-I177 HydrophobicContact CB-CD1 4.4Å; V67-I177 HydrophobicContact CG1-CD1 3.75Å; V67-I177 HydrophobicContact CG2-CD1 3.95Å; V67-L211 HydrophobicContact CB-CD2 4.42Å; V67-L211 HydrophobicContact CG1-CD2 3.85Å; V67-L211 HydrophobicContact CG2-CD2 4.29Å; V67-F214 HydrophobicContact CG1-CD1 3.59Å; V67-F214 HydrophobicContact CG1-CE1 3.73Å |
| 68 | F | 98.8 | Very high | 98.3 | Very high | 23 Ų | 23 | 19 Ų | 19 | 10% | 0.101 | 9% | 0.091 | C | C | . | . | I | π-helix | trans | -70.1 | -59.3 | -169.7 | -178.8 | -120.7 | 0 | 0 | 0 | 112.4 | L29 V32 V63 L64 Y70 G71 D72 F214 | L29-F68 HydrophobicContact CD2-CE1 4.03Å; L29-F68 HydrophobicContact CD2-CZ 3.79Å; L29-F68 HydrophobicContact CG-CZ 4.16Å; V32-F68 HydrophobicContact CG2-CB 4.03Å; V32-F68 HydrophobicContact CG2-CD1 4.27Å; V32-F68 HydrophobicContact CG2-CG 4.23Å; V63-F68 PolarHBondContact O-N 3.49Å; L64-F68 HydrophobicContact CD1-CD1 4.27Å; F68-Y70 VanDerWaalsContact C-N 3.34Å; F68-Y70 PolarHBondContact O-N 2.86Å; F68-G71 PolarHBondContact O-N 3.18Å; F68-D72 WeakPolarHBondContact CZ-OD2 3.45Å; F68-D72 PolarHBondContact O-N 2.89Å; F68-F214 HydrophobicContact CD2-CE2 4.48Å; F68-F214 AromaticContact CD2-CZ 3.96Å; F68-F214 HydrophobicContact CD2-CZ 3.96Å |
| 69 | L | 98.8 | Very high | 98.1 | Very high | 26 Ų | 26 | 20.8 Ų | 20.8 | 14% | 0.136 | 10% | 0.103 | C | C | . | . | I | π-helix | trans | -64.2 | -36.7 | -179.6 | -67 | 177.2 | 0 | 0 | 0 | 112.6 | L64 G65 A73 L95 L98 A99 F102 | L64-L69 WeakPolarHBondContact O-CG 3.5Å; L64-L69 PolarHBondContact O-N 3.38Å; G65-L69 WeakPolarHBondContact O-CB 3.19Å; L69-A73 VanDerWaalsContact O-CB 3.26Å; L69-A73 WeakPolarHBondContact O-CB 3.4Å; L69-A73 PolarHBondContact O-N 3.36Å; L69-L95 HydrophobicContact CD2-CD2 4.2Å; L69-L98 HydrophobicContact CD1-CB 4.16Å; L69-A99 HydrophobicContact CB-CB 4.09Å; L69-F102 HydrophobicContact CD1-CD2 3.8Å; L69-F102 HydrophobicContact CD1-CE2 3.82Å |
| 70 | Y | 98.8 | Very high | 97.9 | Very high | 5 Ų | 5 | 23.3 Ų | 23.3 | 2% | 0.02 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -61.4 | -51.7 | 171.8 | -171.1 | 174.3 | 0 | 0 | 0 | 110.6 | G65 L66 F68 D72 A73 I74 H96 F137 G169 L172 Y173 V176 | G65-Y70 PolarHBondContact O-N 2.87Å; L66-Y70 WeakPolarHBondContact O-CB 3.4Å; L66-Y70 VanDerWaalsContact O-CD1 3.31Å; L66-Y70 WeakPolarHBondContact O-CD1 3.41Å; F68-Y70 VanDerWaalsContact C-N 3.34Å; F68-Y70 PolarHBondContact O-N 2.86Å; Y70-D72 VanDerWaalsContact C-N 3.25Å; Y70-D72 PolarHBondContact O-N 3.34Å; Y70-A73 WeakPolarHBondContact O-CA 3.34Å; Y70-A73 WeakPolarHBondContact O-CB 3.21Å; Y70-A73 PolarHBondContact O-N 2.94Å; Y70-I74 HydrophobicContact CD2-CG2 3.96Å; Y70-I74 HydrophobicContact CE2-CG2 3.66Å; Y70-I74 PolarHBondContact O-N 3.45Å; Y70-H96 AromaticContact CD2-CE1 3.32Å; Y70-H96 WeakPolarHBondContact CD2-CE1 3.42Å; Y70-H96 AromaticContact CD2-ND1 3.86Å; Y70-H96 AromaticContact CE2-CE1 3.43Å; Y70-H96 VanDerWaalsContact CE2-CE1 3.43Å; Y70-H96 WeakPolarHBondContact CE2-CE1 3.27Å; Y70-F137 AromaticContact CD1-CD2 3.98Å; Y70-F137 HydrophobicContact CD1-CD2 3.98Å; Y70-F137 AromaticContact CD1-CE2 3.47Å; Y70-F137 HydrophobicContact CD1-CE2 3.47Å; Y70-F137 VanDerWaalsContact CD1-CE2 3.47Å; Y70-F137 HydrophobicContact CD2-CE2 4.18Å; Y70-F137 AromaticContact CE1-CD2 3.68Å; Y70-F137 HydrophobicContact CE1-CD2 3.68Å; Y70-F137 AromaticContact CE1-CE2 3.55Å; Y70-F137 HydrophobicContact CE1-CE2 3.55Å; Y70-F137 HydrophobicContact CE2-CE2 4.27Å; Y70-F137 AromaticContact CG-CE2 3.8Å; Y70-F137 HydrophobicContact CG-CE2 3.8Å; Y70-F137 AromaticContact CZ-CE2 3.94Å; Y70-G169 PolarHBondContact OH-O 3.49Å; Y70-L172 HydrophobicContact CE1-CD2 4.4Å; Y70-L172 HydrophobicContact CE1-CG 4.2Å; Y70-Y173 AromaticContact CD1-CD2 3.64Å; Y70-Y173 HydrophobicContact CD1-CD2 3.64Å; Y70-Y173 HydrophobicContact CD1-CE2 4.4Å; Y70-Y173 AromaticContact CD2-CD2 3.97Å; Y70-Y173 HydrophobicContact CD2-CD2 3.97Å; Y70-Y173 AromaticContact CE1-CD2 3.98Å; Y70-Y173 HydrophobicContact CE1-CD2 3.98Å; Y70-Y173 HydrophobicContact CE2-CD2 4.25Å; Y70-Y173 AromaticContact CG-CD2 3.67Å; Y70-Y173 HydrophobicContact CG-CD2 3.67Å; Y70-Y173 HydrophobicContact CG-CE2 4.17Å; Y70-V176 HydrophobicContact CE1-CG2 4.45Å |
| 71 | G | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -53.6 | -43.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | V67 F68 I74 L75 | V67-G71 PolarHBondContact O-N 3.4Å; F68-G71 PolarHBondContact O-N 3.18Å; G71-I74 WeakPolarHBondContact O-CG1 3.33Å; G71-I74 PolarHBondContact O-N 2.94Å; G71-L75 VanDerWaalsContact O-CB 3.27Å; G71-L75 WeakPolarHBondContact O-CB 3.26Å; G71-L75 PolarHBondContact O-N 3.48Å; G71-L75 VanDerWaalsContact O-N 3.08Å |
| 72 | D | 98.6 | Very high | 97.1 | Very high | 29 Ų | 29 | 26.1 Ų | 26.1 | 16% | 0.155 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -67.3 | -41.9 | 174.8 | -79 | -13.6 | 0 | 0 | 0 | 112.6 | Q25 F68 Y70 I74 L75 V76 | Q25-D72 PolarHBondContact NE2-OD1 3.28Å; Q25-D72 PolarHBondContact OE1-OD1 3.39Å; Q25-D72 PolarHBondContact OE1-OD2 3.39Å; F68-D72 WeakPolarHBondContact CZ-OD2 3.45Å; F68-D72 PolarHBondContact O-N 2.89Å; Y70-D72 VanDerWaalsContact C-N 3.25Å; Y70-D72 PolarHBondContact O-N 3.34Å; D72-I74 VanDerWaalsContact C-N 3.27Å; D72-I74 PolarHBondContact O-N 2.96Å; D72-L75 CarbonylContact O-C 3.58Å; D72-L75 WeakPolarHBondContact O-CA 3.39Å; D72-L75 PolarHBondContact O-N 3.24Å; D72-V76 WeakPolarHBondContact O-CG1 3.47Å; D72-V76 PolarHBondContact O-N 3.16Å |
| 73 | A | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -56.9 | -39 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L69 Y70 V76 H92 L95 H96 | L69-A73 VanDerWaalsContact O-CB 3.26Å; L69-A73 WeakPolarHBondContact O-CB 3.4Å; L69-A73 PolarHBondContact O-N 3.36Å; Y70-A73 WeakPolarHBondContact O-CA 3.34Å; Y70-A73 WeakPolarHBondContact O-CB 3.21Å; Y70-A73 PolarHBondContact O-N 2.94Å; A73-V76 WeakPolarHBondContact O-CG2 3.43Å; A73-H92 PolarHBondContact O-ND1 3.36Å; A73-L95 HydrophobicContact CB-CB 3.62Å; A73-L95 HydrophobicContact CB-CD1 4.31Å; A73-H96 WeakPolarHBondContact CB-NE2 3.43Å |
| 74 | I | 98 | Very high | 96.4 | Very high | 31 Ų | 31 | 40.3 Ų | 40.3 | 16% | 0.159 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -77.4 | -30.6 | 174.7 | 59.3 | 176.5 | 0 | 0 | 0 | 112.5 | Y70 G71 D72 Y173 I218 T222 | Y70-I74 HydrophobicContact CD2-CG2 3.96Å; Y70-I74 HydrophobicContact CE2-CG2 3.66Å; Y70-I74 PolarHBondContact O-N 3.45Å; G71-I74 WeakPolarHBondContact O-CG1 3.33Å; G71-I74 PolarHBondContact O-N 2.94Å; D72-I74 VanDerWaalsContact C-N 3.27Å; D72-I74 PolarHBondContact O-N 2.96Å; I74-Y173 HydrophobicContact CD1-CD1 3.88Å; I74-Y173 HydrophobicContact CD1-CD2 4.34Å; I74-Y173 HydrophobicContact CD1-CE1 4.22Å; I74-Y173 HydrophobicContact CD1-CG 3.94Å; I74-I218 HydrophobicContact CD1-CG2 3.46Å; I74-I218 VanDerWaalsContact CD1-CG2 3.46Å; I74-I218 HydrophobicContact CG1-CG2 3.81Å; I74-T222 HydrophobicContact CB-CG2 4.49Å; I74-T222 HydrophobicContact CD1-CG2 4.41Å; I74-T222 HydrophobicContact CG1-CG2 4.21Å |
| 75 | L | 97.7 | Very high | 96.1 | Very high | 3 Ų | 3 | 43.8 Ų | 43.8 | 2% | 0.016 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -73.7 | -25 | -179.8 | -174.5 | 63.5 | 0 | 0 | 0 | 113.5 | G71 D72 Y77 R78 V79 I218 L221 T222 | G71-L75 VanDerWaalsContact O-CB 3.27Å; G71-L75 WeakPolarHBondContact O-CB 3.26Å; G71-L75 PolarHBondContact O-N 3.48Å; G71-L75 VanDerWaalsContact O-N 3.08Å; D72-L75 CarbonylContact O-C 3.58Å; D72-L75 WeakPolarHBondContact O-CA 3.39Å; D72-L75 PolarHBondContact O-N 3.24Å; L75-Y77 PolarHBondContact O-N 3.49Å; L75-R78 HydrophobicContact CD1-CB 4.11Å; L75-R78 HydrophobicContact CD1-CG 4.4Å; L75-R78 WeakPolarHBondContact O-CA 3.32Å; L75-R78 WeakPolarHBondContact O-CB 3.36Å; L75-R78 PolarHBondContact O-N 3.29Å; L75-V79 HydrophobicContact CD1-CG2 4.47Å; L75-V79 HydrophobicContact CD2-CG2 4.13Å; L75-V79 HydrophobicContact CG-CG2 3.83Å; L75-V79 PolarHBondContact O-N 3.05Å; L75-V79 VanDerWaalsContact O-N 3.09Å; L75-I218 HydrophobicContact CB-CD1 4.38Å; L75-I218 HydrophobicContact CD2-CD1 3.87Å; L75-L221 HydrophobicContact CD1-CB 3.6Å; L75-L221 HydrophobicContact CD1-CD1 3.94Å; L75-L221 HydrophobicContact CD1-CG 4.33Å; L75-L221 HydrophobicContact CD2-CD1 4.31Å; L75-T222 HydrophobicContact CD1-CG2 4.39Å |
| 76 | V | 97.5 | Very high | 95.9 | Very high | 7 Ų | 7 | 48.8 Ų | 48.8 | 4% | 0.042 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -53.5 | -33.8 | -176.8 | -58.3 | 0 | 0 | 0 | 0 | 114 | D72 A73 R78 V79 F80 I88 L91 H92 L95 | D72-V76 WeakPolarHBondContact O-CG1 3.47Å; D72-V76 PolarHBondContact O-N 3.16Å; A73-V76 WeakPolarHBondContact O-CG2 3.43Å; V76-R78 PolarHBondContact O-N 2.93Å; V76-V79 PolarHBondContact O-N 2.67Å; V76-F80 HydrophobicContact CB-CD2 4.11Å; V76-F80 WeakPolarHBondContact O-CB 3.48Å; V76-F80 WeakPolarHBondContact O-CD2 3.37Å; V76-F80 PolarHBondContact O-N 3.41Å; V76-I88 HydrophobicContact CB-CG2 4.46Å; V76-I88 HydrophobicContact CG2-CG2 3.89Å; V76-L91 HydrophobicContact CB-CD2 4.28Å; V76-L91 HydrophobicContact CG1-CD2 3.86Å; V76-L91 HydrophobicContact CG1-CG 4.11Å; V76-H92 HydrophobicContact CG2-CB 3.89Å; V76-L95 HydrophobicContact CG1-CD1 3.62Å |
| 77 | Y | 95.3 | Very high | 95.8 | Very high | 61 Ų | 61 | 51.8 Ų | 51.8 | 24% | 0.239 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -68.9 | -16.8 | 177.5 | -79.9 | -80 | 0 | 0 | 0 | 113.8 | L75 I88 K89 H92 | L75-Y77 PolarHBondContact O-N 3.49Å; Y77-I88 HydrophobicContact CD1-CG2 3.56Å; Y77-I88 HydrophobicContact CD2-CG2 4.24Å; Y77-I88 HydrophobicContact CE1-CB 4.37Å; Y77-I88 HydrophobicContact CE1-CG2 3.68Å; Y77-I88 HydrophobicContact CE2-CG2 4.35Å; Y77-I88 HydrophobicContact CG-CG2 3.87Å; Y77-K89 WeakPolarHBondContact OH-CG 3.46Å; Y77-H92 HydrophobicContact CE2-CB 4.01Å; Y77-H92 AromaticContact CE2-CG 3.79Å; Y77-H92 AromaticContact CE2-ND1 3.76Å |
| 78 | R | 95.1 | Very high | 95.7 | Very high | 48 Ų | 48 | 52 Ų | 52 | 18% | 0.181 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -94.8 | -45.7 | 175 | -54.2 | -65.5 | 175.6 | -90.5 | -2.5 | 110.6 | F17 L75 V76 R81 T222 Y227 | F17-R78 HydrophobicContact CE2-CB 4.04Å; F17-R78 HydrophobicContact CZ-CB 4.05Å; F17-R78 WeakPolarHBondContact CZ-O 3.32Å; L75-R78 HydrophobicContact CD1-CB 4.11Å; L75-R78 HydrophobicContact CD1-CG 4.4Å; L75-R78 WeakPolarHBondContact O-CA 3.32Å; L75-R78 WeakPolarHBondContact O-CB 3.36Å; L75-R78 PolarHBondContact O-N 3.29Å; V76-R78 PolarHBondContact O-N 2.93Å; R78-R81 WeakPolarHBondContact O-CB 3.31Å; R78-R81 WeakPolarHBondContact O-CG 3.15Å; R78-R81 PolarHBondContact O-N 3.46Å; R78-T222 VanDerWaalsContact CZ-O 3.26Å; R78-T222 PolarHBondContact NE-O 3.04Å; R78-T222 PolarHBondContact NH2-O 3.5Å; R78-Y227 WeakPolarHBondContact CD-O 3.15Å |
| 79 | V | 95.2 | Very high | 95.6 | Very high | 55 Ų | 55 | 53.2 Ų | 53.2 | 33% | 0.333 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63.2 | -48.2 | 179.5 | 171.4 | 0 | 0 | 0 | 0 | 110.9 | F17 V21 L75 V76 R81 | F17-V79 HydrophobicContact CZ-CG2 4.42Å; V21-V79 HydrophobicContact CG1-CG2 4.04Å; V21-V79 HydrophobicContact CG2-CG2 4.16Å; L75-V79 HydrophobicContact CD1-CG2 4.47Å; L75-V79 HydrophobicContact CD2-CG2 4.13Å; L75-V79 HydrophobicContact CG-CG2 3.83Å; L75-V79 PolarHBondContact O-N 3.05Å; L75-V79 VanDerWaalsContact O-N 3.09Å; V76-V79 PolarHBondContact O-N 2.67Å; V79-R81 VanDerWaalsContact C-N 3.28Å; V79-R81 PolarHBondContact O-N 3.32Å |
| 80 | F | 94.6 | Very high | 95.6 | Very high | 71 Ų | 71 | 56 Ų | 56 | 31% | 0.311 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 34.9 | 179.4 | -56.5 | -70.3 | 0 | 0 | 0 | 112 | V76 S82 F83 I88 L91 | V76-F80 HydrophobicContact CB-CD2 4.11Å; V76-F80 WeakPolarHBondContact O-CB 3.48Å; V76-F80 WeakPolarHBondContact O-CD2 3.37Å; V76-F80 PolarHBondContact O-N 3.41Å; F80-S82 PolarHBondContact O-N 3.49Å; F80-F83 HydrophobicContact CB-CB 4.12Å; F80-F83 HydrophobicContact CB-CD2 3.73Å; F80-F83 HydrophobicContact CB-CE2 4.41Å; F80-F83 HydrophobicContact CB-CG 4.03Å; F80-F83 AromaticContact CD1-CD2 3.91Å; F80-F83 HydrophobicContact CD1-CD2 3.91Å; F80-F83 HydrophobicContact CD1-CE1 4.47Å; F80-F83 AromaticContact CD1-CE2 3.77Å; F80-F83 HydrophobicContact CD1-CE2 3.77Å; F80-F83 HydrophobicContact CD1-CG 4.35Å; F80-F83 HydrophobicContact CD1-CZ 4.07Å; F80-F83 HydrophobicContact CG-CD2 4.32Å; F80-F83 WeakPolarHBondContact O-CB 3.37Å; F80-F83 PolarHBondContact O-N 3.01Å; F80-I88 HydrophobicContact CB-CD1 4.18Å; F80-I88 HydrophobicContact CB-CG1 4Å; F80-I88 WeakPolarHBondContact O-CD1 3.28Å; F80-L91 HydrophobicContact CD2-CD2 3.99Å; F80-L91 HydrophobicContact CE2-CD2 3.61Å; F80-L91 HydrophobicContact CZ-CD2 4.43Å |
| 81 | R | 90.3 | Very high | 95.6 | Very high | 45 Ų | 45 | 58.7 Ų | 58.7 | 17% | 0.17 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -19 | -174.3 | 63.2 | 178.9 | -158.6 | 167.9 | 0.8 | 115.8 | R78 V79 N226 R229 I230 | R78-R81 WeakPolarHBondContact O-CB 3.31Å; R78-R81 WeakPolarHBondContact O-CG 3.15Å; R78-R81 PolarHBondContact O-N 3.46Å; V79-R81 VanDerWaalsContact C-N 3.28Å; V79-R81 PolarHBondContact O-N 3.32Å; R81-N226 PolarHBondContact NH1-O 2.98Å; R81-R229 WeakPolarHBondContact O-CG 3.43Å; R81-I230 PolarHBondContact O-N 3.29Å |
| 82 | S | 89.5 | Confident | 95.6 | Very high | 69 Ų | 69 | 59.9 Ų | 59.9 | 48% | 0.483 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | 1.3 | 179 | -51.7 | 0 | 0 | 0 | 0 | 113.3 | F80 T232 | F80-S82 PolarHBondContact O-N 3.49Å; S82-T232 WeakPolarHBondContact O-CG2 3.08Å |
| 83 | F | 90.6 | Very high | 95.6 | Very high | 120 Ų | 120 | 59 Ų | 59 | 53% | 0.526 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -89.8 | 163.5 | -177.7 | -71.3 | -111.7 | 0 | 0 | 0 | 111.4 | F80 I88 R229 | F80-F83 HydrophobicContact CB-CB 4.12Å; F80-F83 HydrophobicContact CB-CD2 3.73Å; F80-F83 HydrophobicContact CB-CE2 4.41Å; F80-F83 HydrophobicContact CB-CG 4.03Å; F80-F83 AromaticContact CD1-CD2 3.91Å; F80-F83 HydrophobicContact CD1-CD2 3.91Å; F80-F83 HydrophobicContact CD1-CE1 4.47Å; F80-F83 AromaticContact CD1-CE2 3.77Å; F80-F83 HydrophobicContact CD1-CE2 3.77Å; F80-F83 HydrophobicContact CD1-CG 4.35Å; F80-F83 HydrophobicContact CD1-CZ 4.07Å; F80-F83 HydrophobicContact CG-CD2 4.32Å; F80-F83 WeakPolarHBondContact O-CB 3.37Å; F80-F83 PolarHBondContact O-N 3.01Å; F83-I88 HydrophobicContact CB-CD1 3.96Å; F83-I88 HydrophobicContact CB-CG1 4.11Å; F83-R229 PolarHBondContact O-NE 3.46Å; F83-R229 PolarHBondContact O-NH2 2.91Å |
| 84 | R | 92.9 | Very high | 95.6 | Very high | 202 Ų | 202 | 62.3 Ų | 62.3 | 76% | 0.762 | 30% | 0.303 | S | S | * | . | trans | -60.3 | 144.4 | 175.7 | -66.4 | -178.8 | -179.2 | 163 | -0.1 | 110.8 | L86 P87 I88 | R84-L86 PolarHBondContact O-N 3.26Å; R84-P87 HydrophobicContact CB-CG 4.37Å; R84-P87 WeakPolarHBondContact O-CD 3.49Å; R84-I88 WeakPolarHBondContact O-CD1 3.41Å; R84-I88 WeakPolarHBondContact O-CG1 3.41Å | ||
| 85 | K | 91.8 | Very high | 95.6 | Very high | 112 Ų | 112 | 62.1 Ų | 62.1 | 49% | 0.487 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.7 | -39.5 | -174 | -66.4 | -178.5 | -179.8 | 175.9 | 0 | 113.3 | I88 K89 | K85-I88 PolarHBondContact O-N 2.86Å; K85-K89 WeakPolarHBondContact O-CG 3.39Å; K85-K89 PolarHBondContact O-N 3.02Å |
| 86 | L | 94.9 | Very high | 95.7 | Very high | 105 Ų | 105 | 62.7 Ų | 62.7 | 55% | 0.55 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -66.3 | -50.6 | -173.7 | 178 | 64.7 | 0 | 0 | 0 | 113.3 | R84 I88 K89 I90 L149 | R84-L86 PolarHBondContact O-N 3.26Å; L86-I88 VanDerWaalsContact C-N 3.28Å; L86-I88 PolarHBondContact O-N 3.43Å; L86-K89 WeakPolarHBondContact O-CB 3.33Å; L86-K89 PolarHBondContact O-N 2.96Å; L86-K89 VanDerWaalsContact O-N 3.14Å; L86-I90 HydrophobicContact CD1-CD1 4.04Å; L86-I90 HydrophobicContact CD1-CG1 4.21Å; L86-I90 HydrophobicContact CG-CD1 3.99Å; L86-I90 WeakPolarHBondContact O-CG1 3.24Å; L86-I90 PolarHBondContact O-N 3.12Å; L86-L149 HydrophobicContact CD1-CD2 3.92Å |
| 87 | P | 96.7 | Very high | 95.7 | Very high | 75 Ų | 75 | 64.6 Ų | 64.6 | 49% | 0.487 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -55.1 | -40.6 | 174.3 | -28.7 | 34.7 | 0 | 0 | 0 | 113.8 | R84 I90 L91 | R84-P87 HydrophobicContact CB-CG 4.37Å; R84-P87 WeakPolarHBondContact O-CD 3.49Å; P87-I90 PolarHBondContact O-N 3.11Å; P87-L91 WeakPolarHBondContact O-CB 3.34Å; P87-L91 PolarHBondContact O-N 3.4Å |
| 88 | I | 97.1 | Very high | 95.9 | Very high | 5 Ų | 5 | 65.3 Ų | 65.3 | 3% | 0.026 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64.6 | -43.6 | 178.1 | -55.5 | 167.8 | 0 | 0 | 0 | 110.8 | V76 Y77 F80 F83 R84 K85 L86 I90 L91 H92 | V76-I88 HydrophobicContact CB-CG2 4.46Å; V76-I88 HydrophobicContact CG2-CG2 3.89Å; Y77-I88 HydrophobicContact CD1-CG2 3.56Å; Y77-I88 HydrophobicContact CD2-CG2 4.24Å; Y77-I88 HydrophobicContact CE1-CB 4.37Å; Y77-I88 HydrophobicContact CE1-CG2 3.68Å; Y77-I88 HydrophobicContact CE2-CG2 4.35Å; Y77-I88 HydrophobicContact CG-CG2 3.87Å; F80-I88 HydrophobicContact CB-CD1 4.18Å; F80-I88 HydrophobicContact CB-CG1 4Å; F80-I88 WeakPolarHBondContact O-CD1 3.28Å; F83-I88 HydrophobicContact CB-CD1 3.96Å; F83-I88 HydrophobicContact CB-CG1 4.11Å; R84-I88 WeakPolarHBondContact O-CD1 3.41Å; R84-I88 WeakPolarHBondContact O-CG1 3.41Å; K85-I88 PolarHBondContact O-N 2.86Å; L86-I88 VanDerWaalsContact C-N 3.28Å; L86-I88 PolarHBondContact O-N 3.43Å; I88-I90 VanDerWaalsContact C-N 3.33Å; I88-I90 PolarHBondContact O-N 2.92Å; I88-L91 PolarHBondContact O-N 3.43Å; I88-H92 VanDerWaalsContact O-CB 3.25Å; I88-H92 WeakPolarHBondContact O-CB 3.44Å; I88-H92 PolarHBondContact O-N 3.4Å |
| 89 | K | 97.6 | Very high | 96.1 | Very high | 49 Ų | 49 | 63 Ų | 63 | 21% | 0.213 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.9 | -42.4 | 175.7 | -76.4 | 173.8 | 171.3 | -167 | 0 | 112.2 | Y77 K85 L86 A93 F148 L149 | Y77-K89 WeakPolarHBondContact OH-CG 3.46Å; K85-K89 WeakPolarHBondContact O-CG 3.39Å; K85-K89 PolarHBondContact O-N 3.02Å; L86-K89 WeakPolarHBondContact O-CB 3.33Å; L86-K89 PolarHBondContact O-N 2.96Å; L86-K89 VanDerWaalsContact O-N 3.14Å; K89-A93 WeakPolarHBondContact O-CB 3.23Å; K89-A93 PolarHBondContact O-N 3.35Å; K89-F148 PolarHBondContact NZ-O 2.83Å; K89-L149 HydrophobicContact CB-CD2 3.83Å; K89-L149 HydrophobicContact CB-CG 4.45Å; K89-L149 HydrophobicContact CD-CD2 4.25Å |
| 90 | I | 98.2 | Very high | 96.2 | Very high | 84 Ų | 84 | 63 Ų | 63 | 43% | 0.431 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65 | -49.2 | 178 | -66.2 | 168.9 | 0 | 0 | 0 | 109.7 | L86 P87 I88 H92 A93 V94 L149 | L86-I90 HydrophobicContact CD1-CD1 4.04Å; L86-I90 HydrophobicContact CD1-CG1 4.21Å; L86-I90 HydrophobicContact CG-CD1 3.99Å; L86-I90 WeakPolarHBondContact O-CG1 3.24Å; L86-I90 PolarHBondContact O-N 3.12Å; P87-I90 PolarHBondContact O-N 3.11Å; I88-I90 VanDerWaalsContact C-N 3.33Å; I88-I90 PolarHBondContact O-N 2.92Å; I90-H92 VanDerWaalsContact C-N 3.35Å; I90-H92 PolarHBondContact O-N 3.46Å; I90-A93 PolarHBondContact O-N 3.37Å; I90-V94 HydrophobicContact CG2-CG2 4.22Å; I90-V94 WeakPolarHBondContact O-CB 3.11Å; I90-V94 VanDerWaalsContact O-CG2 3.3Å; I90-V94 WeakPolarHBondContact O-CG2 3.37Å; I90-V94 PolarHBondContact O-N 2.91Å; I90-L149 HydrophobicContact CG1-CD2 4.45Å |
| 91 | L | 98.4 | Very high | 96.4 | Very high | 62 Ų | 62 | 63.9 Ų | 63.9 | 33% | 0.325 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -58.1 | -46.9 | 177.9 | 179 | 61.9 | 0 | 0 | 0 | 111.8 | V76 F80 P87 I88 A93 V94 L95 | V76-L91 HydrophobicContact CB-CD2 4.28Å; V76-L91 HydrophobicContact CG1-CD2 3.86Å; V76-L91 HydrophobicContact CG1-CG 4.11Å; F80-L91 HydrophobicContact CD2-CD2 3.99Å; F80-L91 HydrophobicContact CE2-CD2 3.61Å; F80-L91 HydrophobicContact CZ-CD2 4.43Å; P87-L91 WeakPolarHBondContact O-CB 3.34Å; P87-L91 PolarHBondContact O-N 3.4Å; I88-L91 PolarHBondContact O-N 3.43Å; L91-A93 PolarHBondContact O-N 3.07Å; L91-V94 PolarHBondContact O-N 3.46Å; L91-L95 HydrophobicContact CD1-CD1 4.08Å; L91-L95 HydrophobicContact CD1-CG 4.11Å; L91-L95 HydrophobicContact CG-CD1 4.05Å; L91-L95 HydrophobicContact CG-CG 4.48Å; L91-L95 WeakPolarHBondContact O-CG 3.44Å; L91-L95 PolarHBondContact O-N 3.1Å |
| 92 | H | 98.6 | Very high | 96.8 | Very high | 24 Ų | 24 | 64.5 Ų | 64.5 | 11% | 0.111 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -54.1 | -50.9 | 173.9 | 174.5 | 83.7 | 0 | 0 | 0 | 111.8 | A73 V76 Y77 I88 I90 V94 L95 H96 | A73-H92 PolarHBondContact O-ND1 3.36Å; V76-H92 HydrophobicContact CG2-CB 3.89Å; Y77-H92 HydrophobicContact CE2-CB 4.01Å; Y77-H92 AromaticContact CE2-CG 3.79Å; Y77-H92 AromaticContact CE2-ND1 3.76Å; I88-H92 VanDerWaalsContact O-CB 3.25Å; I88-H92 WeakPolarHBondContact O-CB 3.44Å; I88-H92 PolarHBondContact O-N 3.4Å; I90-H92 VanDerWaalsContact C-N 3.35Å; I90-H92 PolarHBondContact O-N 3.46Å; H92-V94 PolarHBondContact O-N 2.96Å; H92-L95 PolarHBondContact O-N 2.85Å; H92-H96 AromaticContact CD2-CD2 3.69Å; H92-H96 AromaticContact CE1-CD2 3.36Å; H92-H96 PolarHBondContact CE1-CD2 3.49Å; H92-H96 AromaticContact CE1-NE2 2.91Å; H92-H96 PolarHBondContact CE1-NE2 3Å; H92-H96 AromaticContact CG-CD2 3.86Å; H92-H96 AromaticContact ND1-CD2 3.66Å; H92-H96 AromaticContact ND1-NE2 3.43Å; H92-H96 PolarHBondContact ND1-NE2 3.46Å; H92-H96 AromaticContact NE2-CD2 3.4Å; H92-H96 PolarHBondContact NE2-CD2 3Å; H92-H96 AromaticContact NE2-NE2 3.37Å; H92-H96 PolarHBondContact NE2-NE2 3.36Å; H92-H96 PolarHBondContact O-CD2 3.04Å; H92-H96 PolarHBondContact O-N 3.18Å |
| 93 | A | 98.6 | Very high | 97.3 | Very high | 12 Ų | 12 | 61.2 Ų | 61.2 | 10% | 0.099 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.2 | -38.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | K89 I90 L91 H96 I97 W141 L145 L149 | K89-A93 WeakPolarHBondContact O-CB 3.23Å; K89-A93 PolarHBondContact O-N 3.35Å; I90-A93 PolarHBondContact O-N 3.37Å; L91-A93 PolarHBondContact O-N 3.07Å; A93-H96 PolarHBondContact O-N 2.76Å; A93-I97 PolarHBondContact O-N 2.95Å; A93-W141 PolarHBondContact O-NE1 3.37Å; A93-L145 HydrophobicContact CB-CD2 3.92Å; A93-L149 HydrophobicContact CB-CD1 4.01Å |
| 94 | V | 98.7 | Very high | 97.7 | Very high | 68 Ų | 68 | 58.6 Ų | 58.6 | 41% | 0.412 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -66.2 | -46.7 | 177.6 | 169.3 | 0 | 0 | 0 | 0 | 111.2 | I90 L91 H92 H96 I97 L98 | I90-V94 HydrophobicContact CG2-CG2 4.22Å; I90-V94 WeakPolarHBondContact O-CB 3.11Å; I90-V94 VanDerWaalsContact O-CG2 3.3Å; I90-V94 WeakPolarHBondContact O-CG2 3.37Å; I90-V94 PolarHBondContact O-N 2.91Å; L91-V94 PolarHBondContact O-N 3.46Å; H92-V94 PolarHBondContact O-N 2.96Å; V94-H96 VanDerWaalsContact C-N 3.3Å; V94-H96 PolarHBondContact O-N 3.25Å; V94-I97 WeakPolarHBondContact O-CG2 3.31Å; V94-I97 PolarHBondContact O-N 3.38Å; V94-L98 HydrophobicContact CG1-CD1 4.14Å; V94-L98 WeakPolarHBondContact O-CG 3.17Å; V94-L98 PolarHBondContact O-N 3.05Å |
| 95 | L | 98.8 | Very high | 97.9 | Very high | 28 Ų | 28 | 52.5 Ų | 52.5 | 15% | 0.147 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.9 | -40.6 | 177.2 | -69.9 | 172.1 | 0 | 0 | 0 | 111.4 | L69 A73 V76 L91 H92 L98 A99 | L69-L95 HydrophobicContact CD2-CD2 4.2Å; A73-L95 HydrophobicContact CB-CB 3.62Å; A73-L95 HydrophobicContact CB-CD1 4.31Å; V76-L95 HydrophobicContact CG1-CD1 3.62Å; L91-L95 HydrophobicContact CD1-CD1 4.08Å; L91-L95 HydrophobicContact CD1-CG 4.11Å; L91-L95 HydrophobicContact CG-CD1 4.05Å; L91-L95 HydrophobicContact CG-CG 4.48Å; L91-L95 WeakPolarHBondContact O-CG 3.44Å; L91-L95 PolarHBondContact O-N 3.1Å; H92-L95 PolarHBondContact O-N 2.85Å; L95-L98 PolarHBondContact O-N 3.24Å; L95-A99 WeakPolarHBondContact O-CB 3.32Å; L95-A99 PolarHBondContact O-N 2.99Å |
| 96 | H | 98.8 | Very high | 98.3 | Very high | 15 Ų | 15 | 47.2 Ų | 47.2 | 7% | 0.069 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -66.4 | -40 | 176.3 | -79 | -60.3 | 0 | 0 | 0 | 113.8 | Y70 A73 H92 A93 V94 L98 A99 F100 F137 | Y70-H96 AromaticContact CD2-CE1 3.32Å; Y70-H96 WeakPolarHBondContact CD2-CE1 3.42Å; Y70-H96 AromaticContact CD2-ND1 3.86Å; Y70-H96 AromaticContact CE2-CE1 3.43Å; Y70-H96 VanDerWaalsContact CE2-CE1 3.43Å; Y70-H96 WeakPolarHBondContact CE2-CE1 3.27Å; A73-H96 WeakPolarHBondContact CB-NE2 3.43Å; H92-H96 AromaticContact CD2-CD2 3.69Å; H92-H96 AromaticContact CE1-CD2 3.36Å; H92-H96 PolarHBondContact CE1-CD2 3.49Å; H92-H96 AromaticContact CE1-NE2 2.91Å; H92-H96 PolarHBondContact CE1-NE2 3Å; H92-H96 AromaticContact CG-CD2 3.86Å; H92-H96 AromaticContact ND1-CD2 3.66Å; H92-H96 AromaticContact ND1-NE2 3.43Å; H92-H96 PolarHBondContact ND1-NE2 3.46Å; H92-H96 AromaticContact NE2-CD2 3.4Å; H92-H96 PolarHBondContact NE2-CD2 3Å; H92-H96 AromaticContact NE2-NE2 3.37Å; H92-H96 PolarHBondContact NE2-NE2 3.36Å; H92-H96 PolarHBondContact O-CD2 3.04Å; H92-H96 PolarHBondContact O-N 3.18Å; A93-H96 PolarHBondContact O-N 2.76Å; V94-H96 VanDerWaalsContact C-N 3.3Å; V94-H96 PolarHBondContact O-N 3.25Å; H96-L98 VanDerWaalsContact C-N 3.34Å; H96-A99 WeakPolarHBondContact O-CB 3.25Å; H96-A99 PolarHBondContact O-N 2.87Å; H96-F100 WeakPolarHBondContact O-CB 3.45Å; H96-F100 PolarHBondContact O-N 3.11Å; H96-F137 HydrophobicContact CB-CE1 4.27Å; H96-F137 HydrophobicContact CB-CZ 4.06Å; H96-F137 AromaticContact ND1-CE2 3.77Å; H96-F137 AromaticContact ND1-CZ 3.32Å; H96-F137 VanDerWaalsContact ND1-CZ 3.32Å; H96-F137 WeakPolarHBondContact ND1-CZ 3.49Å; H96-F137 WeakPolarHBondContact O-CE1 3.48Å |
| 97 | I | 98.7 | Very high | 98.4 | Very high | 46 Ų | 46 | 43.7 Ų | 43.7 | 24% | 0.236 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -68.2 | -37.1 | 177.4 | -170.4 | 58.9 | 0 | 0 | 0 | 111.1 | A93 V94 F100 L101 W141 | A93-I97 PolarHBondContact O-N 2.95Å; V94-I97 WeakPolarHBondContact O-CG2 3.31Å; V94-I97 PolarHBondContact O-N 3.38Å; I97-F100 HydrophobicContact CD1-CB 4.4Å; I97-F100 HydrophobicContact CD1-CD1 4.15Å; I97-F100 PolarHBondContact O-N 3.31Å; I97-L101 HydrophobicContact CG1-CD1 4.48Å; I97-L101 VanDerWaalsContact O-CG 3.28Å; I97-L101 WeakPolarHBondContact O-CG 3.32Å; I97-L101 PolarHBondContact O-N 2.93Å; I97-W141 HydrophobicContact CB-CH2 4.44Å; I97-W141 HydrophobicContact CB-CZ2 3.63Å; I97-W141 HydrophobicContact CD1-CD2 4.42Å; I97-W141 HydrophobicContact CD1-CE3 4.43Å; I97-W141 HydrophobicContact CD1-CH2 3.83Å; I97-W141 HydrophobicContact CD1-CZ2 3.84Å; I97-W141 HydrophobicContact CD1-CZ3 4.16Å; I97-W141 HydrophobicContact CG1-CH2 4.18Å; I97-W141 HydrophobicContact CG1-CZ2 3.85Å; I97-W141 HydrophobicContact CG2-CZ2 4.35Å |
| 98 | L | 98.8 | Very high | 98.5 | Very high | 76 Ų | 76 | 44.8 Ų | 44.8 | 40% | 0.398 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61.4 | -46.2 | 172.4 | -68.5 | 173.2 | 0 | 0 | 0 | 111.2 | L69 V94 L95 H96 F100 L101 F102 | L69-L98 HydrophobicContact CD1-CB 4.16Å; V94-L98 HydrophobicContact CG1-CD1 4.14Å; V94-L98 WeakPolarHBondContact O-CG 3.17Å; V94-L98 PolarHBondContact O-N 3.05Å; L95-L98 PolarHBondContact O-N 3.24Å; H96-L98 VanDerWaalsContact C-N 3.34Å; L98-F100 VanDerWaalsContact C-N 3.32Å; L98-F100 PolarHBondContact O-N 3.25Å; L98-L101 PolarHBondContact O-N 2.74Å; L98-F102 VanDerWaalsContact O-CD2 3.23Å; L98-F102 WeakPolarHBondContact O-CD2 3.43Å; L98-F102 PolarHBondContact O-N 3.5Å |
| 99 | A | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -56.9 | -44.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | G65 L69 L95 H96 F102 G103 F137 | G65-A99 WeakPolarHBondContact O-CB 3.2Å; L69-A99 HydrophobicContact CB-CB 4.09Å; L95-A99 WeakPolarHBondContact O-CB 3.32Å; L95-A99 PolarHBondContact O-N 2.99Å; H96-A99 WeakPolarHBondContact O-CB 3.25Å; H96-A99 PolarHBondContact O-N 2.87Å; A99-F102 PolarHBondContact O-N 2.94Å; A99-G103 PolarHBondContact O-N 2.83Å; A99-F137 HydrophobicContact CB-CZ 4.06Å |
| 100 | F | 98.7 | Very high | 98.6 | Very high | 55 Ų | 55 | 43.2 Ų | 43.2 | 24% | 0.241 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.2 | -45.5 | 177 | -176 | -104.7 | 0 | 0 | 0 | 112 | H96 I97 L98 F102 G103 V104 I134 F137 | H96-F100 WeakPolarHBondContact O-CB 3.45Å; H96-F100 PolarHBondContact O-N 3.11Å; I97-F100 HydrophobicContact CD1-CB 4.4Å; I97-F100 HydrophobicContact CD1-CD1 4.15Å; I97-F100 PolarHBondContact O-N 3.31Å; L98-F100 VanDerWaalsContact C-N 3.32Å; L98-F100 PolarHBondContact O-N 3.25Å; F100-F102 PolarHBondContact O-N 3.44Å; F100-G103 CarbonylContact O-C 3.42Å; F100-G103 WeakPolarHBondContact O-CA 3.44Å; F100-G103 PolarHBondContact O-N 3.45Å; F100-G103 VanDerWaalsContact O-N 3.12Å; F100-V104 HydrophobicContact CD1-CG2 4.08Å; F100-V104 HydrophobicContact CE1-CG2 3.7Å; F100-V104 HydrophobicContact CE2-CG2 4.37Å; F100-V104 HydrophobicContact CZ-CG2 3.87Å; F100-V104 WeakPolarHBondContact O-CG2 3.26Å; F100-V104 PolarHBondContact O-N 3.41Å; F100-I134 HydrophobicContact CD2-CD1 3.8Å; F100-I134 HydrophobicContact CD2-CG1 4.21Å; F100-I134 HydrophobicContact CE2-CD1 4.05Å; F100-I134 HydrophobicContact CE2-CG1 3.92Å; F100-F137 HydrophobicContact CB-CD1 4.13Å; F100-F137 HydrophobicContact CB-CE1 3.82Å; F100-F137 AromaticContact CD2-CD1 3.77Å; F100-F137 HydrophobicContact CD2-CD1 3.77Å; F100-F137 HydrophobicContact CD2-CE1 4.34Å; F100-F137 HydrophobicContact CG-CD1 4.4Å |
| 101 | L | 98.7 | Very high | 98.6 | Very high | 90 Ų | 90 | 42.3 Ų | 42.3 | 47% | 0.471 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -62.1 | -42.9 | 178.6 | -69.4 | 174.5 | 0 | 0 | 0 | 111.8 | I97 L98 G103 V104 L105 | I97-L101 HydrophobicContact CG1-CD1 4.48Å; I97-L101 VanDerWaalsContact O-CG 3.28Å; I97-L101 WeakPolarHBondContact O-CG 3.32Å; I97-L101 PolarHBondContact O-N 2.93Å; L98-L101 PolarHBondContact O-N 2.74Å; L101-G103 VanDerWaalsContact C-N 3.35Å; L101-G103 PolarHBondContact O-N 3.29Å; L101-V104 PolarHBondContact O-N 2.8Å; L101-L105 WeakPolarHBondContact O-CG 3.35Å; L101-L105 PolarHBondContact O-N 3.41Å |
| 102 | F | 98.8 | Very high | 98.6 | Very high | 57 Ų | 57 | 41.8 Ų | 41.8 | 25% | 0.25 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.6 | -45 | 171.2 | -80.3 | -61.9 | 0 | 0 | 0 | 111.7 | F61 L64 L69 L98 A99 F100 V104 L105 G106 | F61-F102 HydrophobicContact CB-CB 4.17Å; F61-F102 HydrophobicContact CB-CD1 4.3Å; F61-F102 WeakPolarHBondContact CB-O 3.36Å; F61-F102 AromaticContact CD1-CD1 3.56Å; F61-F102 HydrophobicContact CD1-CD1 3.56Å; F61-F102 AromaticContact CD1-CE1 3.99Å; F61-F102 HydrophobicContact CD1-CE1 3.99Å; F61-F102 HydrophobicContact CD2-CD1 4.44Å; F61-F102 AromaticContact CE1-CD1 3.88Å; F61-F102 HydrophobicContact CE1-CD1 3.88Å; F61-F102 AromaticContact CE1-CE1 3.91Å; F61-F102 HydrophobicContact CE1-CE1 3.91Å; F61-F102 AromaticContact CG-CD1 3.87Å; F61-F102 HydrophobicContact CG-CD1 3.87Å; F61-F102 HydrophobicContact CZ-CD1 4.45Å; L64-F102 HydrophobicContact CD2-CD1 4.18Å; L64-F102 HydrophobicContact CD2-CD2 4.4Å; L64-F102 HydrophobicContact CD2-CE1 3.72Å; L64-F102 HydrophobicContact CD2-CE2 3.97Å; L64-F102 HydrophobicContact CD2-CZ 3.61Å; L64-F102 HydrophobicContact CG-CD2 4.41Å; L64-F102 HydrophobicContact CG-CE2 4.27Å; L64-F102 HydrophobicContact CG-CZ 4.4Å; L69-F102 HydrophobicContact CD1-CD2 3.8Å; L69-F102 HydrophobicContact CD1-CE2 3.82Å; L98-F102 VanDerWaalsContact O-CD2 3.23Å; L98-F102 WeakPolarHBondContact O-CD2 3.43Å; L98-F102 PolarHBondContact O-N 3.5Å; A99-F102 PolarHBondContact O-N 2.94Å; F100-F102 PolarHBondContact O-N 3.44Å; F102-V104 PolarHBondContact O-N 3.25Å; F102-L105 PolarHBondContact O-N 3.42Å; F102-G106 PolarHBondContact O-N 2.99Å |
| 103 | G | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -56.6 | -46.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | M62 A99 F100 L101 G106 I107 | M62-G103 WeakPolarHBondContact CE-O 3.37Å; A99-G103 PolarHBondContact O-N 2.83Å; F100-G103 CarbonylContact O-C 3.42Å; F100-G103 WeakPolarHBondContact O-CA 3.44Å; F100-G103 PolarHBondContact O-N 3.45Å; F100-G103 VanDerWaalsContact O-N 3.12Å; L101-G103 VanDerWaalsContact C-N 3.35Å; L101-G103 PolarHBondContact O-N 3.29Å; G103-G106 PolarHBondContact O-N 2.9Å; G103-I107 WeakPolarHBondContact O-CG1 3.25Å; G103-I107 PolarHBondContact O-N 2.91Å |
| 104 | V | 98.7 | Very high | 98.5 | Very high | 65 Ų | 65 | 41.9 Ų | 41.9 | 39% | 0.394 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -61.8 | -45.8 | 176.8 | 171.4 | 0 | 0 | 0 | 0 | 111.4 | F100 L101 F102 G106 I107 K108 | F100-V104 HydrophobicContact CD1-CG2 4.08Å; F100-V104 HydrophobicContact CE1-CG2 3.7Å; F100-V104 HydrophobicContact CE2-CG2 4.37Å; F100-V104 HydrophobicContact CZ-CG2 3.87Å; F100-V104 WeakPolarHBondContact O-CG2 3.26Å; F100-V104 PolarHBondContact O-N 3.41Å; L101-V104 PolarHBondContact O-N 2.8Å; F102-V104 PolarHBondContact O-N 3.25Å; V104-G106 VanDerWaalsContact C-N 3.32Å; V104-G106 PolarHBondContact O-N 2.99Å; V104-I107 PolarHBondContact O-N 3.49Å; V104-K108 WeakPolarHBondContact O-CB 3.27Å; V104-K108 PolarHBondContact O-N 3.04Å |
| 105 | L | 98.6 | Very high | 98.5 | Very high | 75 Ų | 75 | 43 Ų | 43 | 39% | 0.393 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -63.6 | -38.6 | 177.2 | -69.5 | 174.3 | 0 | 0 | 0 | 112.1 | F61 L101 F102 K108 A109 | F61-L105 HydrophobicContact CD2-CB 3.7Å; F61-L105 HydrophobicContact CE2-CB 3.76Å; F61-L105 HydrophobicContact CE2-CD1 4.34Å; L101-L105 WeakPolarHBondContact O-CG 3.35Å; L101-L105 PolarHBondContact O-N 3.41Å; F102-L105 PolarHBondContact O-N 3.42Å; L105-K108 PolarHBondContact O-N 2.87Å; L105-A109 PolarHBondContact O-N 2.92Å |
| 106 | G | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67.4 | -37.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | H58 F102 G103 V104 A109 V110 | H58-G106 VanDerWaalsContact CB-O 3.29Å; H58-G106 WeakPolarHBondContact CB-O 3.24Å; H58-G106 PolarHBondContact ND1-O 3.25Å; F102-G106 PolarHBondContact O-N 2.99Å; G103-G106 PolarHBondContact O-N 2.9Å; V104-G106 VanDerWaalsContact C-N 3.32Å; V104-G106 PolarHBondContact O-N 2.99Å; G106-A109 PolarHBondContact O-N 3.28Å; G106-V110 PolarHBondContact O-N 3.45Å |
| 107 | I | 98.5 | Very high | 98.3 | Very high | 32 Ų | 32 | 47.4 Ų | 47.4 | 16% | 0.164 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67.3 | -43.7 | 173 | -70.6 | 170.7 | 0 | 0 | 0 | 110.4 | M62 G103 V104 A109 V110 F111 I131 I134 | M62-I107 HydrophobicContact CE-CG1 3.76Å; G103-I107 WeakPolarHBondContact O-CG1 3.25Å; G103-I107 PolarHBondContact O-N 2.91Å; V104-I107 PolarHBondContact O-N 3.49Å; I107-A109 VanDerWaalsContact C-N 3.25Å; I107-A109 PolarHBondContact O-N 3.24Å; I107-V110 WeakPolarHBondContact O-CG1 3.3Å; I107-V110 PolarHBondContact O-N 2.86Å; I107-F111 HydrophobicContact CG2-CD2 3.68Å; I107-F111 HydrophobicContact CG2-CE2 3.65Å; I107-F111 WeakPolarHBondContact O-CD2 3.38Å; I107-F111 PolarHBondContact O-N 2.98Å; I107-F111 VanDerWaalsContact O-N 3.08Å; I107-I131 HydrophobicContact CD1-CD1 4.46Å; I107-I134 HydrophobicContact CD1-CB 3.94Å; I107-I134 HydrophobicContact CD1-CG1 3.96Å; I107-I134 HydrophobicContact CD1-CG2 3.57Å |
| 108 | K | 98.5 | Very high | 98.3 | Very high | 97 Ų | 97 | 52.8 Ų | 52.8 | 42% | 0.422 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -54.5 | -45.2 | 175.3 | -174.5 | -174.4 | -176.8 | -60.3 | 0 | 111.3 | W48 V104 L105 V110 F111 D112 | W48-K108 HydrophobicContact CZ2-CD 4.37Å; V104-K108 WeakPolarHBondContact O-CB 3.27Å; V104-K108 PolarHBondContact O-N 3.04Å; L105-K108 PolarHBondContact O-N 2.87Å; K108-V110 VanDerWaalsContact C-N 3.33Å; K108-V110 PolarHBondContact O-N 3.4Å; K108-F111 PolarHBondContact O-N 3.43Å; K108-D112 IonicContact NZ-OD1 3.98Å; K108-D112 PolarHBondContact NZ-OD1 3.02Å; K108-D112 IonicContact NZ-OD2 3.27Å; K108-D112 PolarHBondContact NZ-OD2 3.41Å; K108-D112 WeakPolarHBondContact O-CB 3.34Å; K108-D112 VanDerWaalsContact O-CG 3.28Å; K108-D112 PolarHBondContact O-N 2.85Å |
| 109 | A | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.1 | -38.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | W48 V54 L105 G106 I107 M113 | W48-A109 HydrophobicContact CH2-CB 4.1Å; W48-A109 HydrophobicContact CZ2-CB 4.25Å; V54-A109 HydrophobicContact CG2-CB 4.18Å; V54-A109 WeakPolarHBondContact O-CB 3.5Å; L105-A109 PolarHBondContact O-N 2.92Å; G106-A109 PolarHBondContact O-N 3.28Å; I107-A109 VanDerWaalsContact C-N 3.25Å; I107-A109 PolarHBondContact O-N 3.24Å; A109-M113 PolarHBondContact O-N 2.92Å |
| 110 | V | 97.8 | Very high | 98.1 | Very high | 21 Ų | 21 | 56.4 Ų | 56.4 | 13% | 0.127 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -74.3 | -39.1 | 177 | 63.3 | 0 | 0 | 0 | 0 | 112.1 | F55 H58 G106 I107 K108 M113 H114 | F55-V110 HydrophobicContact CD2-CB 4.17Å; F55-V110 HydrophobicContact CD2-CG2 3.91Å; F55-V110 HydrophobicContact CE2-CB 4.29Å; F55-V110 HydrophobicContact CE2-CG2 3.81Å; H58-V110 HydrophobicContact CB-CB 4.45Å; G106-V110 PolarHBondContact O-N 3.45Å; I107-V110 WeakPolarHBondContact O-CG1 3.3Å; I107-V110 PolarHBondContact O-N 2.86Å; K108-V110 VanDerWaalsContact C-N 3.33Å; K108-V110 PolarHBondContact O-N 3.4Å; V110-M113 HydrophobicContact CG2-CE 4.39Å; V110-M113 PolarHBondContact O-N 2.87Å; V110-H114 WeakPolarHBondContact O-CB 3.28Å; V110-H114 PolarHBondContact O-CD2 2.87Å; V110-H114 VanDerWaalsContact O-CD2 3.25Å; V110-H114 PolarHBondContact O-N 2.9Å |
| 111 | F | 98.1 | Very high | 98.1 | Very high | 65 Ų | 65 | 56.5 Ų | 56.5 | 29% | 0.285 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.5 | -41.5 | 175.4 | -85.5 | -108.3 | 0 | 0 | 0 | 111.7 | I107 K108 M113 H114 N115 N121 L122 | I107-F111 HydrophobicContact CG2-CD2 3.68Å; I107-F111 HydrophobicContact CG2-CE2 3.65Å; I107-F111 WeakPolarHBondContact O-CD2 3.38Å; I107-F111 PolarHBondContact O-N 2.98Å; I107-F111 VanDerWaalsContact O-N 3.08Å; K108-F111 PolarHBondContact O-N 3.43Å; F111-M113 VanDerWaalsContact C-N 3.33Å; F111-M113 PolarHBondContact O-N 3.34Å; F111-H114 PolarHBondContact O-N 3.18Å; F111-N115 WeakPolarHBondContact O-CB 3.48Å; F111-N115 PolarHBondContact O-N 2.89Å; F111-N115 PolarHBondContact O-ND2 2.8Å; F111-N115 VanDerWaalsContact O-ND2 3.15Å; F111-N121 HydrophobicContact CD1-CB 4.45Å; F111-N121 HydrophobicContact CE1-CB 4.03Å; F111-N121 HydrophobicContact CZ-CB 4.46Å; F111-L122 HydrophobicContact CE2-CD2 4.43Å; F111-L122 HydrophobicContact CZ-CD1 4.5Å; F111-L122 HydrophobicContact CZ-CD2 4.19Å; F111-L122 HydrophobicContact CZ-CG 4.19Å |
| 112 | D | 98.1 | Very high | 98 | Very high | 52 Ų | 52 | 55.3 Ų | 55.3 | 28% | 0.278 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -57.8 | -46.1 | 174.1 | -72.8 | -9.6 | 0 | 0 | 0 | 110.6 | W48 K108 A116 | W48-D112 PolarHBondContact NE1-OD2 2.74Å; W48-D112 VanDerWaalsContact NE1-OD2 3.14Å; K108-D112 IonicContact NZ-OD1 3.98Å; K108-D112 PolarHBondContact NZ-OD1 3.02Å; K108-D112 IonicContact NZ-OD2 3.27Å; K108-D112 PolarHBondContact NZ-OD2 3.41Å; K108-D112 WeakPolarHBondContact O-CB 3.34Å; K108-D112 VanDerWaalsContact O-CG 3.28Å; K108-D112 PolarHBondContact O-N 2.85Å; D112-A116 VanDerWaalsContact O-CB 3.28Å; D112-A116 WeakPolarHBondContact O-CB 3.25Å; D112-A116 PolarHBondContact O-N 2.91Å |
| 113 | M | 97.8 | Very high | 98 | Very high | 19 Ų | 19 | 58 Ų | 58 | 9% | 0.094 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.5 | -49.8 | 177.3 | 179.9 | -87.5 | -74.8 | 0 | 0 | 112.3 | A51 V54 F55 A109 V110 F111 N115 A116 L117 I119 | A51-M113 WeakPolarHBondContact O-CB 3.11Å; A51-M113 WeakPolarHBondContact O-CG 3.49Å; V54-M113 HydrophobicContact CG1-CB 3.96Å; F55-M113 HydrophobicContact CB-CB 4.37Å; F55-M113 HydrophobicContact CB-CE 4.14Å; F55-M113 HydrophobicContact CB-CG 4.22Å; F55-M113 HydrophobicContact CD2-CE 3.34Å; F55-M113 HydrophobicContact CE2-CE 3.99Å; F55-M113 HydrophobicContact CG-CE 3.96Å; A109-M113 PolarHBondContact O-N 2.92Å; V110-M113 HydrophobicContact CG2-CE 4.39Å; V110-M113 PolarHBondContact O-N 2.87Å; F111-M113 VanDerWaalsContact C-N 3.33Å; F111-M113 PolarHBondContact O-N 3.34Å; M113-N115 VanDerWaalsContact C-N 3.33Å; M113-N115 PolarHBondContact O-N 2.9Å; M113-A116 PolarHBondContact O-N 2.86Å; M113-L117 HydrophobicContact CG-CD1 3.95Å; M113-L117 HydrophobicContact CG-CG 4.46Å; M113-L117 WeakPolarHBondContact O-CB 3.44Å; M113-L117 WeakPolarHBondContact O-CG 3.39Å; M113-L117 PolarHBondContact O-N 3.03Å; M113-L117 HydrophobicContact SD-CD1 3.74Å; M113-L117 HydrophobicContact SD-CG 4.41Å; M113-I119 HydrophobicContact SD-CD1 3.91Å |
| 114 | H | 97.8 | Very high | 97.9 | Very high | 18 Ų | 18 | 58.9 Ų | 58.9 | 8% | 0.083 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -59.1 | -45.9 | -178.9 | -85.9 | -137 | 0 | 0 | 0 | 111.3 | V110 F111 A116 L117 L118 I119 P120 N121 Y123 | V110-H114 WeakPolarHBondContact O-CB 3.28Å; V110-H114 PolarHBondContact O-CD2 2.87Å; V110-H114 VanDerWaalsContact O-CD2 3.25Å; V110-H114 PolarHBondContact O-N 2.9Å; F111-H114 PolarHBondContact O-N 3.18Å; H114-A116 PolarHBondContact O-N 3.41Å; H114-L117 CarbonylContact O-C 3.6Å; H114-L117 PolarHBondContact O-N 2.74Å; H114-L118 WeakPolarHBondContact O-CA 3.46Å; H114-L118 PolarHBondContact O-N 2.97Å; H114-I119 HydrophobicContact CB-CB 4.28Å; H114-I119 WeakPolarHBondContact CB-O 3.35Å; H114-I119 PolarHBondContact O-N 3.18Å; H114-P120 PolarHBondContact ND1-O 2.84Å; H114-N121 VanDerWaalsContact CB-OD1 3.23Å; H114-N121 WeakPolarHBondContact CB-OD1 3.3Å; H114-Y123 AromaticContact CE1-CE1 3.66Å |
| 115 | N | 98.2 | Very high | 97.9 | Very high | 93 Ų | 93 | 61.9 Ų | 61.9 | 50% | 0.497 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64.8 | -41 | 178.6 | -66.5 | -21.5 | 0 | 0 | 0 | 111.8 | F111 M113 L117 N121 | F111-N115 WeakPolarHBondContact O-CB 3.48Å; F111-N115 PolarHBondContact O-N 2.89Å; F111-N115 PolarHBondContact O-ND2 2.8Å; F111-N115 VanDerWaalsContact O-ND2 3.15Å; M113-N115 VanDerWaalsContact C-N 3.33Å; M113-N115 PolarHBondContact O-N 2.9Å; N115-L117 VanDerWaalsContact C-N 3.34Å; N115-L117 PolarHBondContact O-N 3.22Å; N115-N121 PolarHBondContact OD1-ND2 2.94Å |
| 116 | A | 97.9 | Very high | 97.9 | Very high | 64 Ų | 64 | 59.8 Ų | 59.8 | 53% | 0.529 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -68 | -32 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | A51 D112 M113 H114 | A51-A116 HydrophobicContact CB-CB 3.77Å; D112-A116 VanDerWaalsContact O-CB 3.28Å; D112-A116 WeakPolarHBondContact O-CB 3.25Å; D112-A116 PolarHBondContact O-N 2.91Å; M113-A116 PolarHBondContact O-N 2.86Å; H114-A116 PolarHBondContact O-N 3.41Å |
| 117 | L | 96.8 | Very high | 97.9 | Very high | 70 Ų | 70 | 60.8 Ų | 60.8 | 37% | 0.366 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | 7.9 | -178.8 | -59.7 | -175 | 0 | 0 | 0 | 113.9 | A51 N52 M113 H114 N115 I119 | A51-L117 HydrophobicContact CB-CD2 3.9Å; A51-L117 HydrophobicContact CB-CG 4.1Å; N52-L117 WeakPolarHBondContact OD1-CD1 3.49Å; M113-L117 HydrophobicContact CG-CD1 3.95Å; M113-L117 HydrophobicContact CG-CG 4.46Å; M113-L117 WeakPolarHBondContact O-CB 3.44Å; M113-L117 WeakPolarHBondContact O-CG 3.39Å; M113-L117 PolarHBondContact O-N 3.03Å; M113-L117 HydrophobicContact SD-CD1 3.74Å; M113-L117 HydrophobicContact SD-CG 4.41Å; H114-L117 CarbonylContact O-C 3.6Å; H114-L117 PolarHBondContact O-N 2.74Å; N115-L117 VanDerWaalsContact C-N 3.34Å; N115-L117 PolarHBondContact O-N 3.22Å; L117-I119 HydrophobicContact CB-CD1 4.04Å; L117-I119 HydrophobicContact CB-CG1 4.05Å; L117-I119 HydrophobicContact CD1-CD1 4.42Å; L117-I119 PolarHBondContact O-N 2.97Å |
| 118 | L | 97.6 | Very high | 97.9 | Very high | 159 Ų | 159 | 67.3 Ų | 67.3 | 83% | 0.832 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 34.5 | -178.4 | -53.6 | 175.4 | 0 | 0 | 0 | 113.6 | H114 | H114-L118 WeakPolarHBondContact O-CA 3.46Å; H114-L118 PolarHBondContact O-N 2.97Å |
| 119 | I | 96.7 | Very high | 97.9 | Very high | 59 Ų | 59 | 65.7 Ų | 65.7 | 30% | 0.303 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -89.1 | 128.8 | 174 | -57.6 | 174.1 | 0 | 0 | 0 | 107.8 | M113 H114 L117 N121 Y123 | M113-I119 HydrophobicContact SD-CD1 3.91Å; H114-I119 HydrophobicContact CB-CB 4.28Å; H114-I119 WeakPolarHBondContact CB-O 3.35Å; H114-I119 PolarHBondContact O-N 3.18Å; L117-I119 HydrophobicContact CB-CD1 4.04Å; L117-I119 HydrophobicContact CB-CG1 4.05Å; L117-I119 HydrophobicContact CD1-CD1 4.42Å; L117-I119 PolarHBondContact O-N 2.97Å; I119-N121 PolarHBondContact O-N 3.38Å; I119-Y123 HydrophobicContact CG2-CD1 4.08Å; I119-Y123 HydrophobicContact CG2-CE1 3.74Å |
| 120 | P | 97.7 | Very high | 97.9 | Very high | 93 Ų | 93 | 66.6 Ų | 66.6 | 60% | 0.604 | 35% | 0.35 | S | S | * | . | P | Polyproline II helix | trans | -53.7 | 137.8 | 175.5 | -27.3 | 35.5 | 0 | 0 | 0 | 111.8 | H114 Y123 | H114-P120 PolarHBondContact ND1-O 2.84Å; P120-Y123 WeakPolarHBondContact O-CD1 3.33Å |
| 121 | N | 98.2 | Very high | 97.9 | Very high | 58 Ų | 58 | 68 Ų | 68 | 31% | 0.31 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | 151.6 | 175.1 | -71.9 | -64.4 | 0 | 0 | 0 | 110.7 | F111 H114 N115 I119 Y123 | F111-N121 HydrophobicContact CD1-CB 4.45Å; F111-N121 HydrophobicContact CE1-CB 4.03Å; F111-N121 HydrophobicContact CZ-CB 4.46Å; H114-N121 VanDerWaalsContact CB-OD1 3.23Å; H114-N121 WeakPolarHBondContact CB-OD1 3.3Å; N115-N121 PolarHBondContact OD1-ND2 2.94Å; I119-N121 PolarHBondContact O-N 3.38Å; N121-Y123 VanDerWaalsContact C-N 3.31Å; N121-Y123 PolarHBondContact O-N 3.47Å |
| 122 | L | 97.2 | Very high | 98 | Very high | 64 Ų | 64 | 68.3 Ų | 68.3 | 34% | 0.335 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | 36.2 | 172.8 | -55.4 | 176.6 | 0 | 0 | 0 | 115.4 | F111 S127 W128 I131 | F111-L122 HydrophobicContact CE2-CD2 4.43Å; F111-L122 HydrophobicContact CZ-CD1 4.5Å; F111-L122 HydrophobicContact CZ-CD2 4.19Å; F111-L122 HydrophobicContact CZ-CG 4.19Å; L122-S127 WeakPolarHBondContact CA-OG 3.48Å; L122-W128 VanDerWaalsContact O-CD1 3.27Å; L122-W128 PolarHBondContact O-NE1 3.29Å; L122-I131 HydrophobicContact CD2-CB 4.33Å; L122-I131 HydrophobicContact CD2-CG2 4.42Å |
| 123 | Y | 96.9 | Very high | 98 | Very high | 114 Ų | 114 | 66.1 Ų | 66.1 | 45% | 0.447 | 35% | 0.352 | S | S | . | . | trans | -81.6 | -15.5 | -177.6 | 74.4 | -97.9 | 0 | 0 | 0 | 114.3 | H114 I119 P120 N121 E186 F190 | H114-Y123 AromaticContact CE1-CE1 3.66Å; I119-Y123 HydrophobicContact CG2-CD1 4.08Å; I119-Y123 HydrophobicContact CG2-CE1 3.74Å; P120-Y123 WeakPolarHBondContact O-CD1 3.33Å; N121-Y123 VanDerWaalsContact C-N 3.31Å; N121-Y123 PolarHBondContact O-N 3.47Å; Y123-E186 PolarHBondContact OH-OE1 3.14Å; Y123-F190 WeakPolarHBondContact OH-CZ 3.29Å | ||
| 124 | S | 97.9 | Very high | 98 | Very high | 19 Ų | 19 | 65.8 Ų | 65.8 | 13% | 0.133 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -109.3 | 153.7 | -172.6 | 78.6 | 0 | 0 | 0 | 0 | 112.6 | H126 S127 W128 E186 | S124-H126 PolarHBondContact O-N 2.87Å; S124-S127 PolarHBondContact N-OG 3.35Å; S124-S127 WeakPolarHBondContact O-CB 3.49Å; S124-S127 PolarHBondContact O-N 3.48Å; S124-S127 PolarHBondContact O-OG 2.86Å; S124-S127 PolarHBondContact OG-N 2.91Å; S124-W128 VanDerWaalsContact O-CD1 3.3Å; S124-W128 PolarHBondContact O-N 3.42Å; S124-E186 PolarHBondContact OG-OE2 3.25Å; S124-E186 VanDerWaalsContact OG-OE2 3.08Å |
| 125 | L | 98.4 | Very high | 98.1 | Very high | 128 Ų | 128 | 69.5 Ų | 69.5 | 67% | 0.67 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -58.5 | -37.3 | 174 | 179.2 | 61.9 | 0 | 0 | 0 | 112 | S127 W128 L129 | L125-S127 VanDerWaalsContact C-N 3.26Å; L125-S127 PolarHBondContact O-N 3.23Å; L125-W128 PolarHBondContact O-N 3.39Å; L125-L129 HydrophobicContact CD1-CD1 4.22Å; L125-L129 HydrophobicContact CD1-CG 4.08Å; L125-L129 HydrophobicContact CG-CD1 4.06Å; L125-L129 HydrophobicContact CG-CG 4.34Å; L125-L129 WeakPolarHBondContact O-CG 3.25Å; L125-L129 PolarHBondContact O-N 2.81Å |
| 126 | H | 98.5 | Very high | 98.1 | Very high | 30 Ų | 30 | 67.1 Ų | 67.1 | 14% | 0.139 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -52.4 | -47 | 173 | 166.6 | 71 | 0 | 0 | 0 | 110.9 | H58 S124 G130 V179 S182 G183 E186 | H58-H126 AromaticContact NE2-NE2 3.84Å; S124-H126 PolarHBondContact O-N 2.87Å; H126-G130 PolarHBondContact O-N 3.48Å; H126-V179 PolarHBondContact CE1-O 3.4Å; H126-V179 PolarHBondContact ND1-O 3.48Å; H126-S182 PolarHBondContact ND1-OG 3.38Å; H126-G183 VanDerWaalsContact CE1-CA 3.42Å; H126-G183 WeakPolarHBondContact CE1-CA 3.15Å; H126-G183 WeakPolarHBondContact ND1-CA 3.48Å; H126-G183 PolarHBondContact ND1-N 2.95Å; H126-E186 IonicContact CD2-OE2 2.64Å |
| 127 | S | 98.6 | Very high | 98.1 | Very high | 22 Ų | 22 | 64.3 Ų | 64.3 | 15% | 0.154 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -68.5 | -35.9 | -179 | 71.8 | 0 | 0 | 0 | 0 | 113.7 | L122 S124 L125 G130 I131 | L122-S127 WeakPolarHBondContact CA-OG 3.48Å; S124-S127 PolarHBondContact N-OG 3.35Å; S124-S127 WeakPolarHBondContact O-CB 3.49Å; S124-S127 PolarHBondContact O-N 3.48Å; S124-S127 PolarHBondContact O-OG 2.86Å; S124-S127 PolarHBondContact OG-N 2.91Å; L125-S127 VanDerWaalsContact C-N 3.26Å; L125-S127 PolarHBondContact O-N 3.23Å; S127-G130 PolarHBondContact O-N 3.3Å; S127-I131 WeakPolarHBondContact O-CG2 3.31Å; S127-I131 PolarHBondContact O-N 3.01Å |
| 128 | W | 98.7 | Very high | 98.2 | Very high | 168 Ų | 168 | 61.7 Ų | 61.7 | 64% | 0.636 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -67.7 | -44.7 | 176.3 | -77.9 | 49.2 | 0 | 0 | 0 | 111.9 | L122 S124 L125 I131 T132 | L122-W128 VanDerWaalsContact O-CD1 3.27Å; L122-W128 PolarHBondContact O-NE1 3.29Å; S124-W128 VanDerWaalsContact O-CD1 3.3Å; S124-W128 PolarHBondContact O-N 3.42Å; L125-W128 PolarHBondContact O-N 3.39Å; W128-I131 WeakPolarHBondContact O-CG2 3.43Å; W128-T132 WeakPolarHBondContact O-CB 3.3Å; W128-T132 PolarHBondContact O-N 3.47Å; W128-T132 VanDerWaalsContact O-N 3.1Å; W128-T132 PolarHBondContact O-OG1 2.97Å |
| 129 | L | 98.8 | Very high | 98.3 | Very high | 64 Ų | 64 | 59.7 Ų | 59.7 | 34% | 0.335 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -67.8 | -38.8 | 175.3 | -65.5 | 177.5 | 0 | 0 | 0 | 111.2 | L125 T132 A133 V179 | L125-L129 HydrophobicContact CD1-CD1 4.22Å; L125-L129 HydrophobicContact CD1-CG 4.08Å; L125-L129 HydrophobicContact CG-CD1 4.06Å; L125-L129 HydrophobicContact CG-CG 4.34Å; L125-L129 WeakPolarHBondContact O-CG 3.25Å; L125-L129 PolarHBondContact O-N 2.81Å; L129-T132 PolarHBondContact O-N 2.9Å; L129-A133 VanDerWaalsContact O-CB 3.3Å; L129-A133 WeakPolarHBondContact O-CB 3.42Å; L129-A133 PolarHBondContact O-N 2.89Å; L129-V179 HydrophobicContact CB-CG2 3.66Å |
| 130 | G | 98.6 | Very high | 98.3 | Very high | 18 Ų | 18 | 58.5 Ų | 58.5 | 19% | 0.186 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.1 | -48 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | H126 S127 T132 A133 I134 | H126-G130 PolarHBondContact O-N 3.48Å; S127-G130 PolarHBondContact O-N 3.3Å; G130-T132 VanDerWaalsContact C-N 3.33Å; G130-T132 PolarHBondContact O-N 3.34Å; G130-A133 PolarHBondContact O-N 3.39Å; G130-I134 PolarHBondContact O-N 3.39Å |
| 131 | I | 98.4 | Very high | 98.4 | Very high | 50 Ų | 50 | 57.2 Ų | 57.2 | 26% | 0.256 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -67.1 | -36.5 | 177.5 | -162.3 | 65 | 0 | 0 | 0 | 111.5 | I107 L122 S127 W128 I134 I135 | I107-I131 HydrophobicContact CD1-CD1 4.46Å; L122-I131 HydrophobicContact CD2-CB 4.33Å; L122-I131 HydrophobicContact CD2-CG2 4.42Å; S127-I131 WeakPolarHBondContact O-CG2 3.31Å; S127-I131 PolarHBondContact O-N 3.01Å; W128-I131 WeakPolarHBondContact O-CG2 3.43Å; I131-I134 HydrophobicContact CD1-CG2 3.95Å; I131-I134 WeakPolarHBondContact O-CG2 3.43Å; I131-I135 HydrophobicContact CG1-CD1 4.08Å; I131-I135 WeakPolarHBondContact O-CD1 3.38Å; I131-I135 VanDerWaalsContact O-CG1 3.25Å; I131-I135 WeakPolarHBondContact O-CG1 3.35Å; I131-I135 PolarHBondContact O-N 3.46Å; I131-I135 VanDerWaalsContact O-N 3.16Å |
| 132 | T | 98.6 | Very high | 98.4 | Very high | 73 Ų | 73 | 57.9 Ų | 57.9 | 45% | 0.448 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.8 | -46.8 | 173.1 | -59.1 | 0 | 0 | 0 | 0 | 110.7 | W128 L129 G130 I134 I135 V136 | W128-T132 WeakPolarHBondContact O-CB 3.3Å; W128-T132 PolarHBondContact O-N 3.47Å; W128-T132 VanDerWaalsContact O-N 3.1Å; W128-T132 PolarHBondContact O-OG1 2.97Å; L129-T132 PolarHBondContact O-N 2.9Å; G130-T132 VanDerWaalsContact C-N 3.33Å; G130-T132 PolarHBondContact O-N 3.34Å; T132-I134 PolarHBondContact O-N 3.35Å; T132-I135 PolarHBondContact O-N 3.13Å; T132-V136 HydrophobicContact CG2-CG2 4.34Å; T132-V136 WeakPolarHBondContact O-CB 3.5Å; T132-V136 VanDerWaalsContact O-CG2 3.3Å; T132-V136 WeakPolarHBondContact O-CG2 3.49Å; T132-V136 PolarHBondContact O-N 3.34Å |
| 133 | A | 98.7 | Very high | 98.4 | Very high | 5 Ų | 5 | 56.6 Ų | 56.6 | 4% | 0.041 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.2 | -45.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L129 G130 I135 V136 F137 L172 L175 V176 | L129-A133 VanDerWaalsContact O-CB 3.3Å; L129-A133 WeakPolarHBondContact O-CB 3.42Å; L129-A133 PolarHBondContact O-N 2.89Å; G130-A133 PolarHBondContact O-N 3.39Å; A133-I135 PolarHBondContact O-N 2.92Å; A133-V136 PolarHBondContact O-N 3.16Å; A133-F137 VanDerWaalsContact O-CB 3.25Å; A133-F137 WeakPolarHBondContact O-CB 3.22Å; A133-F137 PolarHBondContact O-N 3.42Å; A133-L172 HydrophobicContact CB-CD1 4.01Å; A133-L175 HydrophobicContact CB-CD2 4.12Å; A133-L175 HydrophobicContact CB-CG 4.45Å; A133-V176 HydrophobicContact CB-CG2 4.32Å |
| 134 | I | 98.5 | Very high | 98.5 | Very high | 12 Ų | 12 | 51.6 Ų | 51.6 | 6% | 0.062 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -68.2 | -35.8 | -179.4 | -161.6 | 66.6 | 0 | 0 | 0 | 112.3 | L66 F100 I107 G130 I131 T132 F137 G138 | L66-I134 HydrophobicContact CD1-CD1 4.06Å; L66-I134 HydrophobicContact CD2-CD1 4.04Å; F100-I134 HydrophobicContact CD2-CD1 3.8Å; F100-I134 HydrophobicContact CD2-CG1 4.21Å; F100-I134 HydrophobicContact CE2-CD1 4.05Å; F100-I134 HydrophobicContact CE2-CG1 3.92Å; I107-I134 HydrophobicContact CD1-CB 3.94Å; I107-I134 HydrophobicContact CD1-CG1 3.96Å; I107-I134 HydrophobicContact CD1-CG2 3.57Å; G130-I134 PolarHBondContact O-N 3.39Å; I131-I134 HydrophobicContact CD1-CG2 3.95Å; I131-I134 WeakPolarHBondContact O-CG2 3.43Å; T132-I134 PolarHBondContact O-N 3.35Å; I134-F137 WeakPolarHBondContact O-CB 3.29Å; I134-F137 PolarHBondContact O-N 3.04Å; I134-G138 PolarHBondContact O-N 3.22Å |
| 135 | I | 98.6 | Very high | 98.5 | Very high | 96 Ų | 96 | 53 Ų | 53 | 49% | 0.492 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.6 | -50 | 176.4 | -70.1 | 168.5 | 0 | 0 | 0 | 109.6 | I131 T132 A133 F137 G138 L139 | I131-I135 HydrophobicContact CG1-CD1 4.08Å; I131-I135 WeakPolarHBondContact O-CD1 3.38Å; I131-I135 VanDerWaalsContact O-CG1 3.25Å; I131-I135 WeakPolarHBondContact O-CG1 3.35Å; I131-I135 PolarHBondContact O-N 3.46Å; I131-I135 VanDerWaalsContact O-N 3.16Å; T132-I135 PolarHBondContact O-N 3.13Å; A133-I135 PolarHBondContact O-N 2.92Å; I135-F137 VanDerWaalsContact C-N 3.27Å; I135-F137 PolarHBondContact O-N 3.16Å; I135-G138 PolarHBondContact O-N 3.27Å; I135-L139 HydrophobicContact CG2-CD1 4.16Å; I135-L139 WeakPolarHBondContact O-CG 3.07Å; I135-L139 PolarHBondContact O-N 2.99Å |
| 136 | V | 98.6 | Very high | 98.5 | Very high | 43 Ų | 43 | 51.4 Ų | 51.4 | 26% | 0.261 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.2 | -36.9 | 177.7 | 175.8 | 0 | 0 | 0 | 0 | 110.9 | T132 A133 L139 Q140 L168 L172 | T132-V136 HydrophobicContact CG2-CG2 4.34Å; T132-V136 WeakPolarHBondContact O-CB 3.5Å; T132-V136 VanDerWaalsContact O-CG2 3.3Å; T132-V136 WeakPolarHBondContact O-CG2 3.49Å; T132-V136 PolarHBondContact O-N 3.34Å; A133-V136 PolarHBondContact O-N 3.16Å; V136-L139 PolarHBondContact O-N 3.46Å; V136-Q140 HydrophobicContact CG1-CG 4.4Å; V136-Q140 WeakPolarHBondContact O-CB 3.5Å; V136-Q140 WeakPolarHBondContact O-CG 3.36Å; V136-Q140 PolarHBondContact O-N 3.5Å; V136-L168 HydrophobicContact CG1-CD1 4.2Å; V136-L168 HydrophobicContact CG1-CD2 4.48Å; V136-L168 HydrophobicContact CG1-CG 4.48Å; V136-L172 HydrophobicContact CB-CD1 4.39Å; V136-L172 HydrophobicContact CG1-CD1 4.32Å; V136-L172 HydrophobicContact CG1-CD2 4.26Å |
| 137 | F | 98.8 | Very high | 98.4 | Very high | 6 Ų | 6 | 50.1 Ų | 50.1 | 3% | 0.026 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.8 | -49.8 | 173.8 | -169.7 | -77 | 0 | 0 | 0 | 111.7 | L66 Y70 H96 A99 F100 A133 I134 I135 L139 Q140 W141 L172 | L66-F137 HydrophobicContact CD2-CD2 4.38Å; L66-F137 HydrophobicContact CD2-CE2 4.3Å; Y70-F137 AromaticContact CD1-CD2 3.98Å; Y70-F137 HydrophobicContact CD1-CD2 3.98Å; Y70-F137 AromaticContact CD1-CE2 3.47Å; Y70-F137 HydrophobicContact CD1-CE2 3.47Å; Y70-F137 VanDerWaalsContact CD1-CE2 3.47Å; Y70-F137 HydrophobicContact CD2-CE2 4.18Å; Y70-F137 AromaticContact CE1-CD2 3.68Å; Y70-F137 HydrophobicContact CE1-CD2 3.68Å; Y70-F137 AromaticContact CE1-CE2 3.55Å; Y70-F137 HydrophobicContact CE1-CE2 3.55Å; Y70-F137 HydrophobicContact CE2-CE2 4.27Å; Y70-F137 AromaticContact CG-CE2 3.8Å; Y70-F137 HydrophobicContact CG-CE2 3.8Å; Y70-F137 AromaticContact CZ-CE2 3.94Å; H96-F137 HydrophobicContact CB-CE1 4.27Å; H96-F137 HydrophobicContact CB-CZ 4.06Å; H96-F137 AromaticContact ND1-CE2 3.77Å; H96-F137 AromaticContact ND1-CZ 3.32Å; H96-F137 VanDerWaalsContact ND1-CZ 3.32Å; H96-F137 WeakPolarHBondContact ND1-CZ 3.49Å; H96-F137 WeakPolarHBondContact O-CE1 3.48Å; A99-F137 HydrophobicContact CB-CZ 4.06Å; F100-F137 HydrophobicContact CB-CD1 4.13Å; F100-F137 HydrophobicContact CB-CE1 3.82Å; F100-F137 AromaticContact CD2-CD1 3.77Å; F100-F137 HydrophobicContact CD2-CD1 3.77Å; F100-F137 HydrophobicContact CD2-CE1 4.34Å; F100-F137 HydrophobicContact CG-CD1 4.4Å; A133-F137 VanDerWaalsContact O-CB 3.25Å; A133-F137 WeakPolarHBondContact O-CB 3.22Å; A133-F137 PolarHBondContact O-N 3.42Å; I134-F137 WeakPolarHBondContact O-CB 3.29Å; I134-F137 PolarHBondContact O-N 3.04Å; I135-F137 VanDerWaalsContact C-N 3.27Å; I135-F137 PolarHBondContact O-N 3.16Å; F137-L139 VanDerWaalsContact C-N 3.35Å; F137-L139 PolarHBondContact O-N 3.43Å; F137-Q140 WeakPolarHBondContact O-CB 3.44Å; F137-Q140 PolarHBondContact O-N 3.12Å; F137-W141 PolarHBondContact O-N 2.95Å; F137-L172 HydrophobicContact CB-CD2 3.81Å; F137-L172 HydrophobicContact CD2-CD2 3.9Å; F137-L172 HydrophobicContact CG-CD2 4.26Å |
| 138 | G | 98.6 | Very high | 98.3 | Very high | 14 Ų | 14 | 50.4 Ų | 50.4 | 14% | 0.144 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60 | -44.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | I134 I135 W141 V142 | I134-G138 PolarHBondContact O-N 3.22Å; I135-G138 PolarHBondContact O-N 3.27Å; G138-W141 PolarHBondContact O-N 3.5Å; G138-V142 WeakPolarHBondContact O-CG2 3.31Å; G138-V142 PolarHBondContact O-N 3.27Å |
| 139 | L | 98.6 | Very high | 98.2 | Very high | 118 Ų | 118 | 45 Ų | 45 | 62% | 0.618 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -64.2 | -40.7 | 175.7 | -67.7 | 175.6 | 0 | 0 | 0 | 112.4 | I135 V136 F137 W141 G143 | I135-L139 HydrophobicContact CG2-CD1 4.16Å; I135-L139 WeakPolarHBondContact O-CG 3.07Å; I135-L139 PolarHBondContact O-N 2.99Å; V136-L139 PolarHBondContact O-N 3.46Å; F137-L139 VanDerWaalsContact C-N 3.35Å; F137-L139 PolarHBondContact O-N 3.43Å; L139-W141 VanDerWaalsContact C-N 3.32Å; L139-W141 PolarHBondContact O-N 3.28Å; L139-G143 PolarHBondContact O-N 3.48Å |
| 140 | Q | 98.5 | Very high | 98.1 | Very high | 34 Ų | 34 | 44.6 Ų | 44.6 | 16% | 0.159 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.3 | -41.5 | 174.1 | -85.9 | -58.7 | -59.2 | 0 | 0 | 111.9 | V136 F137 G144 H165 L168 | V136-Q140 HydrophobicContact CG1-CG 4.4Å; V136-Q140 WeakPolarHBondContact O-CB 3.5Å; V136-Q140 WeakPolarHBondContact O-CG 3.36Å; V136-Q140 PolarHBondContact O-N 3.5Å; F137-Q140 WeakPolarHBondContact O-CB 3.44Å; F137-Q140 PolarHBondContact O-N 3.12Å; Q140-G144 PolarHBondContact O-N 2.95Å; Q140-H165 PolarHBondContact OE1-ND1 3.02Å; Q140-L168 HydrophobicContact CG-CD2 4.13Å; Q140-L168 HydrophobicContact CG-CG 4Å |
| 141 | W | 98.6 | Very high | 97.8 | Very high | 66 Ų | 66 | 48.7 Ų | 48.7 | 25% | 0.25 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65 | -52.3 | 177.9 | -175.9 | 80.8 | 0 | 0 | 0 | 111.4 | A93 I97 F137 G138 L139 G143 G144 L145 | A93-W141 PolarHBondContact O-NE1 3.37Å; I97-W141 HydrophobicContact CB-CH2 4.44Å; I97-W141 HydrophobicContact CB-CZ2 3.63Å; I97-W141 HydrophobicContact CD1-CD2 4.42Å; I97-W141 HydrophobicContact CD1-CE3 4.43Å; I97-W141 HydrophobicContact CD1-CH2 3.83Å; I97-W141 HydrophobicContact CD1-CZ2 3.84Å; I97-W141 HydrophobicContact CD1-CZ3 4.16Å; I97-W141 HydrophobicContact CG1-CH2 4.18Å; I97-W141 HydrophobicContact CG1-CZ2 3.85Å; I97-W141 HydrophobicContact CG2-CZ2 4.35Å; F137-W141 PolarHBondContact O-N 2.95Å; G138-W141 PolarHBondContact O-N 3.5Å; L139-W141 VanDerWaalsContact C-N 3.32Å; L139-W141 PolarHBondContact O-N 3.28Å; W141-G143 PolarHBondContact O-N 3.44Å; W141-G144 PolarHBondContact O-N 2.84Å; W141-L145 HydrophobicContact CD2-CD1 4.12Å; W141-L145 HydrophobicContact CD2-CG 4.29Å; W141-L145 HydrophobicContact CE3-CD1 3.88Å; W141-L145 HydrophobicContact CE3-CG 4.44Å; W141-L145 HydrophobicContact CH2-CD1 3.42Å; W141-L145 VanDerWaalsContact CH2-CD1 3.42Å; W141-L145 HydrophobicContact CH2-CG 4.47Å; W141-L145 HydrophobicContact CZ2-CD1 3.64Å; W141-L145 HydrophobicContact CZ2-CD2 4.32Å; W141-L145 HydrophobicContact CZ2-CG 4.28Å; W141-L145 HydrophobicContact CZ3-CD1 3.54Å; W141-L145 WeakPolarHBondContact O-CG 3.22Å; W141-L145 PolarHBondContact O-N 3.31Å |
| 142 | V | 98.5 | Very high | 97.8 | Very high | 72 Ų | 72 | 53.5 Ų | 53.5 | 44% | 0.436 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -59.5 | -47.3 | 177.7 | 174.5 | 0 | 0 | 0 | 0 | 111.2 | G138 G144 L145 I146 | G138-V142 WeakPolarHBondContact O-CG2 3.31Å; G138-V142 PolarHBondContact O-N 3.27Å; V142-G144 VanDerWaalsContact C-N 3.3Å; V142-G144 PolarHBondContact O-N 3.43Å; V142-L145 WeakPolarHBondContact O-CB 3.44Å; V142-L145 PolarHBondContact O-N 2.84Å; V142-I146 HydrophobicContact CG1-CD1 3.9Å; V142-I146 WeakPolarHBondContact O-CG1 3.47Å; V142-I146 PolarHBondContact O-N 3.21Å |
| 143 | G | 98.1 | Very high | 97.6 | Very high | 36 Ų | 36 | 51 Ų | 51 | 37% | 0.371 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.4 | -39.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L139 W141 I146 A147 | L139-G143 PolarHBondContact O-N 3.48Å; W141-G143 PolarHBondContact O-N 3.44Å; G143-I146 PolarHBondContact O-N 3.25Å; G143-A147 WeakPolarHBondContact O-CB 3.48Å; G143-A147 PolarHBondContact O-N 3.37Å |
| 144 | G | 98.2 | Very high | 97.5 | Very high | 10 Ų | 10 | 54.6 Ų | 54.6 | 10% | 0.103 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.8 | -41.4 | 175 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q140 W141 V142 F148 | Q140-G144 PolarHBondContact O-N 2.95Å; W141-G144 PolarHBondContact O-N 2.84Å; V142-G144 VanDerWaalsContact C-N 3.3Å; V142-G144 PolarHBondContact O-N 3.43Å; G144-F148 WeakPolarHBondContact O-CB 3.46Å; G144-F148 WeakPolarHBondContact O-CD2 3.5Å; G144-F148 PolarHBondContact O-N 3.41Å |
| 145 | L | 97.8 | Very high | 97.4 | Very high | 47 Ų | 47 | 60.3 Ų | 60.3 | 25% | 0.246 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.6 | -52.3 | 174.1 | -67.5 | -173.2 | 0 | 0 | 0 | 111.2 | A93 W141 V142 A147 L149 V150 | A93-L145 HydrophobicContact CB-CD2 3.92Å; W141-L145 HydrophobicContact CD2-CD1 4.12Å; W141-L145 HydrophobicContact CD2-CG 4.29Å; W141-L145 HydrophobicContact CE3-CD1 3.88Å; W141-L145 HydrophobicContact CE3-CG 4.44Å; W141-L145 HydrophobicContact CH2-CD1 3.42Å; W141-L145 VanDerWaalsContact CH2-CD1 3.42Å; W141-L145 HydrophobicContact CH2-CG 4.47Å; W141-L145 HydrophobicContact CZ2-CD1 3.64Å; W141-L145 HydrophobicContact CZ2-CD2 4.32Å; W141-L145 HydrophobicContact CZ2-CG 4.28Å; W141-L145 HydrophobicContact CZ3-CD1 3.54Å; W141-L145 WeakPolarHBondContact O-CG 3.22Å; W141-L145 PolarHBondContact O-N 3.31Å; V142-L145 WeakPolarHBondContact O-CB 3.44Å; V142-L145 PolarHBondContact O-N 2.84Å; L145-A147 PolarHBondContact O-N 2.96Å; L145-L149 HydrophobicContact CD2-CD1 3.57Å; L145-L149 WeakPolarHBondContact O-CA 3.41Å; L145-L149 WeakPolarHBondContact O-CB 3.41Å; L145-L149 PolarHBondContact O-N 2.93Å; L145-V150 PolarHBondContact O-N 3.25Å; L145-V150 VanDerWaalsContact O-N 3.16Å |
| 146 | I | 97.5 | Very high | 97.4 | Very high | 96 Ų | 96 | 60.4 Ų | 60.4 | 49% | 0.492 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.4 | -47.5 | -179.5 | -64.8 | 168.7 | 0 | 0 | 0 | 110 | V142 G143 V150 T153 | V142-I146 HydrophobicContact CG1-CD1 3.9Å; V142-I146 WeakPolarHBondContact O-CG1 3.47Å; V142-I146 PolarHBondContact O-N 3.21Å; G143-I146 PolarHBondContact O-N 3.25Å; I146-V150 WeakPolarHBondContact O-CB 3.3Å; I146-T153 PolarHBondContact O-OG1 2.83Å |
| 147 | A | 97.2 | Very high | 97.3 | Very high | 3 Ų | 3 | 61.1 Ų | 61.1 | 3% | 0.025 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -65.3 | -47.3 | -177 | 0 | 0 | 0 | 0 | 0 | 112 | G143 L145 R158 L161 | G143-A147 WeakPolarHBondContact O-CB 3.48Å; G143-A147 PolarHBondContact O-N 3.37Å; L145-A147 PolarHBondContact O-N 2.96Å; A147-R158 WeakPolarHBondContact O-CG 3.48Å; A147-R158 PolarHBondContact O-NE 3.36Å; A147-L161 HydrophobicContact CB-CD1 3.84Å |
| 148 | F | 97.4 | Very high | 97.2 | Very high | 28 Ų | 28 | 62.5 Ų | 62.5 | 12% | 0.123 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -115.7 | -11.3 | -160.8 | -53 | -61.7 | 0 | 0 | 0 | 115.8 | K89 G144 R158 L161 L162 H165 | K89-F148 PolarHBondContact NZ-O 2.83Å; G144-F148 WeakPolarHBondContact O-CB 3.46Å; G144-F148 WeakPolarHBondContact O-CD2 3.5Å; G144-F148 PolarHBondContact O-N 3.41Å; F148-R158 HydrophobicContact CD1-CG 4.33Å; F148-R158 HydrophobicContact CE1-CB 4.37Å; F148-L161 HydrophobicContact CZ-CB 4.28Å; F148-L162 HydrophobicContact CE1-CB 4.19Å; F148-L162 HydrophobicContact CE1-CD1 4.26Å; F148-L162 HydrophobicContact CZ-CB 4.25Å; F148-L162 HydrophobicContact CZ-CD1 4.25Å; F148-H165 HydrophobicContact CE2-CB 3.86Å; F148-H165 AromaticContact CE2-CD2 3.51Å; F148-H165 AromaticContact CE2-CG 3.66Å; F148-H165 HydrophobicContact CZ-CB 4.17Å |
| 149 | L | 96.2 | Very high | 97.2 | Very high | 54 Ų | 54 | 65 Ų | 65 | 28% | 0.283 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.7 | -25.4 | 178.2 | -77 | 170.5 | 0 | 0 | 0 | 113.9 | L86 K89 I90 A93 L145 P151 | L86-L149 HydrophobicContact CD1-CD2 3.92Å; K89-L149 HydrophobicContact CB-CD2 3.83Å; K89-L149 HydrophobicContact CB-CG 4.45Å; K89-L149 HydrophobicContact CD-CD2 4.25Å; I90-L149 HydrophobicContact CG1-CD2 4.45Å; A93-L149 HydrophobicContact CB-CD1 4.01Å; L145-L149 HydrophobicContact CD2-CD1 3.57Å; L145-L149 WeakPolarHBondContact O-CA 3.41Å; L145-L149 WeakPolarHBondContact O-CB 3.41Å; L145-L149 PolarHBondContact O-N 2.93Å; L149-P151 WeakPolarHBondContact O-CD 3.42Å |
| 150 | V | 95.9 | Very high | 97.1 | Very high | 56 Ų | 56 | 66.4 Ų | 66.4 | 34% | 0.339 | 37% | 0.369 | S | S | . | . | trans | -71.9 | 115.2 | 171.9 | 176.6 | 0 | 0 | 0 | 0 | 109.5 | L145 I146 Q152 T153 R158 | L145-V150 PolarHBondContact O-N 3.25Å; L145-V150 VanDerWaalsContact O-N 3.16Å; I146-V150 WeakPolarHBondContact O-CB 3.3Å; V150-Q152 HydrophobicContact CG1-CB 4.19Å; V150-Q152 PolarHBondContact O-N 2.95Å; V150-T153 PolarHBondContact O-N 3.5Å; V150-T153 PolarHBondContact O-OG1 3.47Å; V150-R158 PolarHBondContact O-NH2 3.25Å | ||
| 151 | P | 93.7 | Very high | 97.1 | Very high | 103 Ų | 103 | 68 Ų | 68 | 67% | 0.669 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -34 | -175.9 | -27.4 | 36.3 | 0 | 0 | 0 | 113.8 | L149 T153 R158 | L149-P151 WeakPolarHBondContact O-CD 3.42Å; P151-T153 VanDerWaalsContact C-N 3.27Å; P151-T153 PolarHBondContact O-N 3.12Å; P151-R158 PolarHBondContact O-NH2 3.31Å |
| 152 | Q | 96.4 | Very high | 97 | Very high | 152 Ų | 152 | 69.2 Ų | 69.2 | 71% | 0.71 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -14.6 | -175.4 | -62.7 | 78.3 | 4.7 | 0 | 0 | 113.8 | V150 P154 | V150-Q152 HydrophobicContact CG1-CB 4.19Å; V150-Q152 PolarHBondContact O-N 2.95Å; Q152-P154 WeakPolarHBondContact O-CD 3.47Å |
| 153 | T | 95.8 | Very high | 97 | Very high | 20 Ų | 20 | 69.3 Ų | 69.3 | 12% | 0.123 | 39% | 0.391 | C | S | . | . | S | Bend | trans | -66.4 | 122.9 | 179.4 | -57.9 | 0 | 0 | 0 | 0 | 110.9 | I146 V150 P151 T157 R158 | I146-T153 PolarHBondContact O-OG1 2.83Å; V150-T153 PolarHBondContact O-N 3.5Å; V150-T153 PolarHBondContact O-OG1 3.47Å; P151-T153 VanDerWaalsContact C-N 3.27Å; P151-T153 PolarHBondContact O-N 3.12Å; T153-T157 HydrophobicContact CG2-CG2 4.25Å; T153-R158 HydrophobicContact CG2-CG 4.06Å; T153-R158 PolarHBondContact O-NE 3.35Å; T153-R158 PolarHBondContact O-NH2 2.91Å |
| 154 | P | 97.3 | Very high | 97 | Very high | 80 Ų | 80 | 72.3 Ų | 72.3 | 52% | 0.519 | 40% | 0.398 | S | S | . | . | trans | -59.3 | 145.9 | -177.7 | -25.1 | 34.1 | 0 | 0 | 0 | 113.5 | Q152 V156 T157 R158 | Q152-P154 WeakPolarHBondContact O-CD 3.47Å; P154-V156 VanDerWaalsContact C-N 3.31Å; P154-V156 PolarHBondContact O-N 2.81Å; P154-T157 WeakPolarHBondContact O-CB 3.25Å; P154-T157 PolarHBondContact O-N 2.69Å; P154-T157 VanDerWaalsContact O-N 3.12Å; P154-R158 PolarHBondContact O-N 3.26Å | ||
| 155 | Q | 96.3 | Very high | 97 | Very high | 132 Ų | 132 | 73.8 Ų | 73.8 | 62% | 0.617 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -64.4 | -34 | -179.3 | -66.7 | -64.8 | 6.8 | 0 | 0 | 113.3 | T157 R158 A159 | Q155-T157 VanDerWaalsContact C-N 3.3Å; Q155-T157 PolarHBondContact O-N 2.84Å; Q155-R158 WeakPolarHBondContact O-CB 3.48Å; Q155-R158 PolarHBondContact O-N 3.45Å; Q155-A159 WeakPolarHBondContact O-CB 3.4Å; Q155-A159 PolarHBondContact O-N 3.27Å |
| 156 | V | 97.3 | Very high | 97 | Very high | 99 Ų | 99 | 74.9 Ų | 74.9 | 60% | 0.6 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -61.1 | -42.4 | 174.2 | 178.6 | 0 | 0 | 0 | 0 | 110.7 | P154 A159 K160 | P154-V156 VanDerWaalsContact C-N 3.31Å; P154-V156 PolarHBondContact O-N 2.81Å; V156-A159 PolarHBondContact O-N 3.04Å; V156-K160 WeakPolarHBondContact O-CG 3.37Å; V156-K160 PolarHBondContact O-N 3.48Å; V156-K160 VanDerWaalsContact O-N 3.11Å |
| 157 | T | 96.9 | Very high | 97 | Very high | 57 Ų | 57 | 74.8 Ų | 74.8 | 35% | 0.35 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -64.5 | -44.5 | 176.3 | -52.9 | 0 | 0 | 0 | 0 | 111 | T153 P154 Q155 A159 K160 L161 | T153-T157 HydrophobicContact CG2-CG2 4.25Å; P154-T157 WeakPolarHBondContact O-CB 3.25Å; P154-T157 PolarHBondContact O-N 2.69Å; P154-T157 VanDerWaalsContact O-N 3.12Å; Q155-T157 VanDerWaalsContact C-N 3.3Å; Q155-T157 PolarHBondContact O-N 2.84Å; T157-A159 VanDerWaalsContact C-N 3.35Å; T157-A159 PolarHBondContact O-N 2.96Å; T157-K160 PolarHBondContact O-N 3.19Å; T157-L161 HydrophobicContact CG2-CD1 3.84Å; T157-L161 HydrophobicContact CG2-CG 4.34Å; T157-L161 WeakPolarHBondContact O-CB 3.34Å; T157-L161 WeakPolarHBondContact O-CG 3.5Å; T157-L161 PolarHBondContact O-N 2.86Å |
| 158 | R | 97.7 | Very high | 97.1 | Very high | 35 Ų | 35 | 77.2 Ų | 77.2 | 13% | 0.132 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -58.1 | -44.9 | 175.2 | -73.5 | 172.4 | 177.2 | 159.7 | 11.8 | 112.3 | A147 F148 V150 P151 T153 P154 Q155 K160 L161 L162 | A147-R158 WeakPolarHBondContact O-CG 3.48Å; A147-R158 PolarHBondContact O-NE 3.36Å; F148-R158 HydrophobicContact CD1-CG 4.33Å; F148-R158 HydrophobicContact CE1-CB 4.37Å; V150-R158 PolarHBondContact O-NH2 3.25Å; P151-R158 PolarHBondContact O-NH2 3.31Å; T153-R158 HydrophobicContact CG2-CG 4.06Å; T153-R158 PolarHBondContact O-NE 3.35Å; T153-R158 PolarHBondContact O-NH2 2.91Å; P154-R158 PolarHBondContact O-N 3.26Å; Q155-R158 WeakPolarHBondContact O-CB 3.48Å; Q155-R158 PolarHBondContact O-N 3.45Å; R158-K160 VanDerWaalsContact C-N 3.33Å; R158-K160 PolarHBondContact O-N 3.2Å; R158-L161 PolarHBondContact O-N 3.47Å; R158-L162 WeakPolarHBondContact O-CB 3.49Å; R158-L162 PolarHBondContact O-N 2.92Å |
| 159 | A | 97.2 | Very high | 97.1 | Very high | 68 Ų | 68 | 76.4 Ų | 76.4 | 56% | 0.562 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -62.8 | -38.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q155 V156 T157 P163 | Q155-A159 WeakPolarHBondContact O-CB 3.4Å; Q155-A159 PolarHBondContact O-N 3.27Å; V156-A159 PolarHBondContact O-N 3.04Å; T157-A159 VanDerWaalsContact C-N 3.35Å; T157-A159 PolarHBondContact O-N 2.96Å; A159-P163 WeakPolarHBondContact O-CD 3.35Å |
| 160 | K | 97.6 | Very high | 97.2 | Very high | 146 Ų | 146 | 75.1 Ų | 75.1 | 64% | 0.635 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -70.2 | -40 | 176.2 | -70.6 | 178.8 | -179.9 | -176.6 | 0 | 113 | V156 T157 R158 P163 | V156-K160 WeakPolarHBondContact O-CG 3.37Å; V156-K160 PolarHBondContact O-N 3.48Å; V156-K160 VanDerWaalsContact O-N 3.11Å; T157-K160 PolarHBondContact O-N 3.19Å; R158-K160 VanDerWaalsContact C-N 3.33Å; R158-K160 PolarHBondContact O-N 3.2Å; K160-P163 WeakPolarHBondContact O-CD 3.29Å; K160-P163 WeakPolarHBondContact O-CG 3.19Å |
| 161 | L | 97.9 | Very high | 97.3 | Very high | 69 Ų | 69 | 78.4 Ų | 78.4 | 36% | 0.361 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -80.4 | -27.6 | -176.3 | -69.4 | 178.1 | 0 | 0 | 0 | 113.7 | A147 F148 T157 R158 I164 H165 | A147-L161 HydrophobicContact CB-CD1 3.84Å; F148-L161 HydrophobicContact CZ-CB 4.28Å; T157-L161 HydrophobicContact CG2-CD1 3.84Å; T157-L161 HydrophobicContact CG2-CG 4.34Å; T157-L161 WeakPolarHBondContact O-CB 3.34Å; T157-L161 WeakPolarHBondContact O-CG 3.5Å; T157-L161 PolarHBondContact O-N 2.86Å; R158-L161 PolarHBondContact O-N 3.47Å; L161-I164 PolarHBondContact O-N 3.48Å; L161-H165 WeakPolarHBondContact O-CB 3.36Å; L161-H165 PolarHBondContact O-N 3.31Å |
| 162 | L | 97.4 | Very high | 97.5 | Very high | 90 Ų | 90 | 73.6 Ų | 73.6 | 47% | 0.471 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -52.6 | -52.6 | -179 | -178.6 | 63.8 | 0 | 0 | 0 | 114.1 | F148 R158 I164 H165 V166 | F148-L162 HydrophobicContact CE1-CB 4.19Å; F148-L162 HydrophobicContact CE1-CD1 4.26Å; F148-L162 HydrophobicContact CZ-CB 4.25Å; F148-L162 HydrophobicContact CZ-CD1 4.25Å; R158-L162 WeakPolarHBondContact O-CB 3.49Å; R158-L162 PolarHBondContact O-N 2.92Å; L162-I164 VanDerWaalsContact C-N 3.28Å; L162-I164 PolarHBondContact O-N 3.2Å; L162-H165 PolarHBondContact O-N 2.9Å; L162-V166 HydrophobicContact CD1-CG2 4.04Å; L162-V166 WeakPolarHBondContact O-CG2 3.34Å; L162-V166 PolarHBondContact O-N 2.78Å |
| 163 | P | 97.7 | Very high | 97.6 | Very high | 74 Ų | 74 | 66.5 Ų | 66.5 | 48% | 0.481 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.7 | -33.7 | 179.6 | 24.3 | -34.6 | 0 | 0 | 0 | 112.8 | A159 K160 T167 | A159-P163 WeakPolarHBondContact O-CD 3.35Å; K160-P163 WeakPolarHBondContact O-CD 3.29Å; K160-P163 WeakPolarHBondContact O-CG 3.19Å; P163-T167 VanDerWaalsContact O-CB 3.25Å; P163-T167 WeakPolarHBondContact O-CB 3.18Å; P163-T167 PolarHBondContact O-N 3.45Å; P163-T167 PolarHBondContact O-OG1 3.5Å |
| 164 | I | 97.8 | Very high | 97.8 | Very high | 100 Ų | 100 | 69.1 Ų | 69.1 | 51% | 0.513 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -66.6 | -49 | 176.5 | -61.7 | 170.4 | 0 | 0 | 0 | 109.7 | L161 L162 V166 T167 L168 | L161-I164 PolarHBondContact O-N 3.48Å; L162-I164 VanDerWaalsContact C-N 3.28Å; L162-I164 PolarHBondContact O-N 3.2Å; I164-V166 PolarHBondContact O-N 2.95Å; I164-T167 PolarHBondContact O-N 3.11Å; I164-L168 WeakPolarHBondContact O-CB 3.17Å; I164-L168 PolarHBondContact O-N 3.03Å |
| 165 | H | 98.3 | Very high | 97.8 | Very high | 40 Ų | 40 | 67.3 Ų | 67.3 | 19% | 0.185 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -60.1 | -45.6 | 179.9 | -179.7 | 62 | 0 | 0 | 0 | 112.2 | Q140 F148 L161 L162 G169 | Q140-H165 PolarHBondContact OE1-ND1 3.02Å; F148-H165 HydrophobicContact CE2-CB 3.86Å; F148-H165 AromaticContact CE2-CD2 3.51Å; F148-H165 AromaticContact CE2-CG 3.66Å; F148-H165 HydrophobicContact CZ-CB 4.17Å; L161-H165 WeakPolarHBondContact O-CB 3.36Å; L161-H165 PolarHBondContact O-N 3.31Å; L162-H165 PolarHBondContact O-N 2.9Å; H165-G169 PolarHBondContact O-N 2.84Å |
| 166 | V | 97.8 | Very high | 97.9 | Very high | 70 Ų | 70 | 61.3 Ų | 61.3 | 42% | 0.424 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -66.7 | -44.9 | 179.4 | 173.3 | 0 | 0 | 0 | 0 | 111.6 | L162 I164 S170 | L162-V166 HydrophobicContact CD1-CG2 4.04Å; L162-V166 WeakPolarHBondContact O-CG2 3.34Å; L162-V166 PolarHBondContact O-N 2.78Å; I164-V166 PolarHBondContact O-N 2.95Å; V166-S170 WeakPolarHBondContact O-CB 3.3Å; V166-S170 PolarHBondContact O-N 3.36Å; V166-S170 PolarHBondContact O-OG 2.96Å |
| 167 | T | 97.8 | Very high | 98 | Very high | 95 Ų | 95 | 57 Ų | 57 | 58% | 0.583 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -66.3 | -48.2 | -179.6 | -56.9 | 0 | 0 | 0 | 0 | 111.1 | P163 I164 S170 F171 | P163-T167 VanDerWaalsContact O-CB 3.25Å; P163-T167 WeakPolarHBondContact O-CB 3.18Å; P163-T167 PolarHBondContact O-N 3.45Å; P163-T167 PolarHBondContact O-OG1 3.5Å; I164-T167 PolarHBondContact O-N 3.11Å; T167-S170 PolarHBondContact O-N 2.89Å; T167-F171 WeakPolarHBondContact O-CB 3.29Å; T167-F171 PolarHBondContact O-N 3.26Å |
| 168 | L | 98.2 | Very high | 98.1 | Very high | 54 Ų | 54 | 56 Ų | 56 | 28% | 0.283 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -67.8 | -38.2 | -179.5 | -176.9 | 48.7 | 0 | 0 | 0 | 111.8 | V136 Q140 I164 F171 L172 | V136-L168 HydrophobicContact CG1-CD1 4.2Å; V136-L168 HydrophobicContact CG1-CD2 4.48Å; V136-L168 HydrophobicContact CG1-CG 4.48Å; Q140-L168 HydrophobicContact CG-CD2 4.13Å; Q140-L168 HydrophobicContact CG-CG 4Å; I164-L168 WeakPolarHBondContact O-CB 3.17Å; I164-L168 PolarHBondContact O-N 3.03Å; L168-F171 HydrophobicContact CD1-CD1 4.25Å; L168-F171 PolarHBondContact O-N 3.38Å; L168-L172 WeakPolarHBondContact O-CB 3.49Å; L168-L172 PolarHBondContact O-N 3.34Å |
| 169 | G | 98.4 | Very high | 98.2 | Very high | 11 Ų | 11 | 55 Ų | 55 | 11% | 0.113 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.1 | -46.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y70 H165 F171 L172 Y173 | Y70-G169 PolarHBondContact OH-O 3.49Å; H165-G169 PolarHBondContact O-N 2.84Å; G169-F171 PolarHBondContact O-N 3.08Å; G169-L172 PolarHBondContact O-N 3.46Å; G169-Y173 PolarHBondContact O-N 3.24Å |
| 170 | S | 97.7 | Very high | 98.2 | Very high | 26 Ų | 26 | 52.4 Ų | 52.4 | 18% | 0.182 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.8 | -44.9 | 178 | -55.6 | 0 | 0 | 0 | 0 | 112 | V166 T167 Y173 L174 | V166-S170 WeakPolarHBondContact O-CB 3.3Å; V166-S170 PolarHBondContact O-N 3.36Å; V166-S170 PolarHBondContact O-OG 2.96Å; T167-S170 PolarHBondContact O-N 2.89Å; S170-Y173 PolarHBondContact O-N 3.49Å; S170-L174 PolarHBondContact O-N 3.49Å |
| 171 | F | 98.3 | Very high | 98.3 | Very high | 125 Ų | 125 | 48.2 Ų | 48.2 | 55% | 0.548 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.6 | -45.7 | 176.1 | 174.2 | -100.9 | 0 | 0 | 0 | 112.1 | T167 L168 G169 Y173 L174 L175 | T167-F171 WeakPolarHBondContact O-CB 3.29Å; T167-F171 PolarHBondContact O-N 3.26Å; L168-F171 HydrophobicContact CD1-CD1 4.25Å; L168-F171 PolarHBondContact O-N 3.38Å; G169-F171 PolarHBondContact O-N 3.08Å; F171-Y173 VanDerWaalsContact C-N 3.3Å; F171-Y173 PolarHBondContact O-N 3.11Å; F171-L174 WeakPolarHBondContact O-CB 3.3Å; F171-L174 PolarHBondContact O-N 3.16Å; F171-L175 PolarHBondContact O-N 3.14Å |
| 172 | L | 98.6 | Very high | 98.3 | Very high | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.9 | -37.4 | 179.3 | 179.8 | 63.6 | 0 | 0 | 0 | 111.8 | Y70 A133 V136 F137 L168 G169 L175 V176 | Y70-L172 HydrophobicContact CE1-CD2 4.4Å; Y70-L172 HydrophobicContact CE1-CG 4.2Å; A133-L172 HydrophobicContact CB-CD1 4.01Å; V136-L172 HydrophobicContact CB-CD1 4.39Å; V136-L172 HydrophobicContact CG1-CD1 4.32Å; V136-L172 HydrophobicContact CG1-CD2 4.26Å; F137-L172 HydrophobicContact CB-CD2 3.81Å; F137-L172 HydrophobicContact CD2-CD2 3.9Å; F137-L172 HydrophobicContact CG-CD2 4.26Å; L168-L172 WeakPolarHBondContact O-CB 3.49Å; L168-L172 PolarHBondContact O-N 3.34Å; G169-L172 PolarHBondContact O-N 3.46Å; L172-L175 HydrophobicContact CD1-CD2 4.2Å; L172-L175 WeakPolarHBondContact O-CB 3.47Å; L172-L175 PolarHBondContact O-N 2.91Å; L172-V176 WeakPolarHBondContact O-CG2 3.49Å; L172-V176 PolarHBondContact O-N 3.02Å |
| 173 | Y | 98.6 | Very high | 98.4 | Very high | 3 Ų | 3 | 43.3 Ų | 43.3 | 1% | 0.012 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.5 | -45.1 | 174.6 | -173.2 | -114.9 | 0 | 0 | 0 | 111.7 | V67 Y70 I74 G169 S170 F171 L175 V176 I177 F214 I218 | V67-Y173 PolarHBondContact O-OH 3.11Å; Y70-Y173 AromaticContact CD1-CD2 3.64Å; Y70-Y173 HydrophobicContact CD1-CD2 3.64Å; Y70-Y173 HydrophobicContact CD1-CE2 4.4Å; Y70-Y173 AromaticContact CD2-CD2 3.97Å; Y70-Y173 HydrophobicContact CD2-CD2 3.97Å; Y70-Y173 AromaticContact CE1-CD2 3.98Å; Y70-Y173 HydrophobicContact CE1-CD2 3.98Å; Y70-Y173 HydrophobicContact CE2-CD2 4.25Å; Y70-Y173 AromaticContact CG-CD2 3.67Å; Y70-Y173 HydrophobicContact CG-CD2 3.67Å; Y70-Y173 HydrophobicContact CG-CE2 4.17Å; I74-Y173 HydrophobicContact CD1-CD1 3.88Å; I74-Y173 HydrophobicContact CD1-CD2 4.34Å; I74-Y173 HydrophobicContact CD1-CE1 4.22Å; I74-Y173 HydrophobicContact CD1-CG 3.94Å; G169-Y173 PolarHBondContact O-N 3.24Å; S170-Y173 PolarHBondContact O-N 3.49Å; F171-Y173 VanDerWaalsContact C-N 3.3Å; F171-Y173 PolarHBondContact O-N 3.11Å; Y173-L175 PolarHBondContact O-N 3.22Å; Y173-V176 PolarHBondContact O-N 3.29Å; Y173-I177 WeakPolarHBondContact O-CG1 3.46Å; Y173-I177 PolarHBondContact O-N 3.28Å; Y173-F214 WeakPolarHBondContact OH-CE1 3.21Å; Y173-I218 HydrophobicContact CD1-CG2 4.4Å; Y173-I218 HydrophobicContact CE1-CB 3.97Å; Y173-I218 HydrophobicContact CE1-CG2 3.69Å |
| 174 | L | 98.4 | Very high | 98.4 | Very high | 76 Ų | 76 | 40.3 Ų | 40.3 | 40% | 0.398 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.8 | -42.5 | 174.3 | -63.7 | 175.3 | 0 | 0 | 0 | 112 | S170 F171 V176 I177 G178 C215 F219 | S170-L174 PolarHBondContact O-N 3.49Å; F171-L174 WeakPolarHBondContact O-CB 3.3Å; F171-L174 PolarHBondContact O-N 3.16Å; L174-V176 PolarHBondContact O-N 3.46Å; L174-I177 PolarHBondContact O-N 2.9Å; L174-G178 PolarHBondContact O-N 3.49Å; L174-G178 VanDerWaalsContact O-N 3.11Å; L174-C215 VanDerWaalsContact CD2-SG 3.58Å; L174-F219 HydrophobicContact CD1-CE2 4.14Å; L174-F219 HydrophobicContact CD2-CD2 4.21Å |
| 175 | L | 98.6 | Very high | 98.4 | Very high | 42 Ų | 42 | 37.8 Ų | 37.8 | 22% | 0.22 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.8 | -46 | 176.2 | 175.5 | 62 | 0 | 0 | 0 | 111.3 | A133 F171 L172 Y173 I177 G178 V179 | A133-L175 HydrophobicContact CB-CD2 4.12Å; A133-L175 HydrophobicContact CB-CG 4.45Å; F171-L175 PolarHBondContact O-N 3.14Å; L172-L175 HydrophobicContact CD1-CD2 4.2Å; L172-L175 WeakPolarHBondContact O-CB 3.47Å; L172-L175 PolarHBondContact O-N 2.91Å; Y173-L175 PolarHBondContact O-N 3.22Å; L175-I177 VanDerWaalsContact C-N 3.29Å; L175-I177 PolarHBondContact O-N 3.46Å; L175-G178 PolarHBondContact O-N 3.14Å; L175-G178 VanDerWaalsContact O-N 3.12Å; L175-V179 HydrophobicContact CD1-CG2 4.26Å; L175-V179 HydrophobicContact CG-CG2 4.39Å; L175-V179 WeakPolarHBondContact O-CG2 3.46Å; L175-V179 PolarHBondContact O-N 3.12Å |
| 176 | V | 98.8 | Very high | 98.3 | Very high | 5 Ų | 5 | 37.7 Ų | 37.7 | 3% | 0.03 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.7 | -40.7 | 178 | 165.7 | 0 | 0 | 0 | 0 | 111.6 | L66 V67 Y70 A133 L172 Y173 L174 V179 C180 | L66-V176 HydrophobicContact CB-CG1 3.67Å; L66-V176 WeakPolarHBondContact O-CG1 3.15Å; V67-V176 HydrophobicContact CG2-CG1 4.24Å; Y70-V176 HydrophobicContact CE1-CG2 4.45Å; A133-V176 HydrophobicContact CB-CG2 4.32Å; L172-V176 WeakPolarHBondContact O-CG2 3.49Å; L172-V176 PolarHBondContact O-N 3.02Å; Y173-V176 PolarHBondContact O-N 3.29Å; L174-V176 PolarHBondContact O-N 3.46Å; V176-V179 PolarHBondContact O-N 3.38Å; V176-C180 PolarHBondContact O-N 2.86Å; V176-C180 PolarHBondContact O-SG 3.09Å |
| 177 | I | 98.8 | Very high | 98.2 | Very high | 9 Ų | 9 | 35.3 Ų | 35.3 | 5% | 0.046 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.4 | -44.9 | 176.2 | -61.1 | -69.9 | 0 | 0 | 0 | 110.4 | V67 Y173 L174 L175 V179 C180 I181 C215 | V67-I177 HydrophobicContact CB-CD1 4.4Å; V67-I177 HydrophobicContact CG1-CD1 3.75Å; V67-I177 HydrophobicContact CG2-CD1 3.95Å; Y173-I177 WeakPolarHBondContact O-CG1 3.46Å; Y173-I177 PolarHBondContact O-N 3.28Å; L174-I177 PolarHBondContact O-N 2.9Å; L175-I177 VanDerWaalsContact C-N 3.29Å; L175-I177 PolarHBondContact O-N 3.46Å; I177-V179 VanDerWaalsContact C-N 3.34Å; I177-V179 PolarHBondContact O-N 3.29Å; I177-C180 PolarHBondContact O-N 3.45Å; I177-I181 HydrophobicContact CG2-CD1 3.9Å; I177-I181 VanDerWaalsContact O-CG1 3.31Å; I177-I181 WeakPolarHBondContact O-CG1 3.42Å; I177-I181 PolarHBondContact O-N 3.16Å; I177-C215 HydrophobicContact CD1-CB 3.95Å; I177-C215 HydrophobicContact CG1-CB 3.8Å; I177-C215 HydrophobicContact CG2-CB 4.21Å |
| 178 | G | 98.7 | Very high | 98.1 | Very high | 37 Ų | 37 | 30.8 Ų | 30.8 | 38% | 0.381 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -61.3 | -39.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | L174 L175 I181 S182 | L174-G178 PolarHBondContact O-N 3.49Å; L174-G178 VanDerWaalsContact O-N 3.11Å; L175-G178 PolarHBondContact O-N 3.14Å; L175-G178 VanDerWaalsContact O-N 3.12Å; G178-I181 PolarHBondContact O-N 3.08Å; G178-S182 PolarHBondContact O-N 3.38Å; G178-S182 PolarHBondContact O-OG 3.37Å |
| 179 | V | 98.8 | Very high | 97.9 | Very high | 14 Ų | 14 | 34.5 Ų | 34.5 | 9% | 0.085 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.4 | -44.3 | 173.4 | 171.5 | 0 | 0 | 0 | 0 | 110.8 | H126 L129 L175 V176 I177 I181 S182 G183 | H126-V179 PolarHBondContact CE1-O 3.4Å; H126-V179 PolarHBondContact ND1-O 3.48Å; L129-V179 HydrophobicContact CB-CG2 3.66Å; L175-V179 HydrophobicContact CD1-CG2 4.26Å; L175-V179 HydrophobicContact CG-CG2 4.39Å; L175-V179 WeakPolarHBondContact O-CG2 3.46Å; L175-V179 PolarHBondContact O-N 3.12Å; V176-V179 PolarHBondContact O-N 3.38Å; I177-V179 VanDerWaalsContact C-N 3.34Å; I177-V179 PolarHBondContact O-N 3.29Å; V179-I181 PolarHBondContact O-N 3.09Å; V179-S182 WeakPolarHBondContact CA-OG 3.37Å; V179-S182 PolarHBondContact O-N 2.84Å; V179-S182 PolarHBondContact O-OG 2.97Å; V179-G183 PolarHBondContact O-N 3.15Å |
| 180 | C | 98.8 | Very high | 97.5 | Very high | 12 Ų | 12 | 39 Ų | 39 | 8% | 0.081 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.6 | -43.5 | 177.4 | -66.2 | 0 | 0 | 0 | 0 | 111.6 | V176 I177 S182 G183 I184 L211 | V176-C180 PolarHBondContact O-N 2.86Å; V176-C180 PolarHBondContact O-SG 3.09Å; I177-C180 PolarHBondContact O-N 3.45Å; C180-S182 PolarHBondContact O-N 3.46Å; C180-G183 PolarHBondContact O-N 2.74Å; C180-I184 WeakPolarHBondContact O-CB 3.26Å; C180-I184 VanDerWaalsContact O-CG1 3.26Å; C180-I184 WeakPolarHBondContact O-CG1 3.48Å; C180-I184 PolarHBondContact O-N 3.29Å; C180-L211 HydrophobicContact CB-CD1 3.89Å |
| 181 | I | 98.7 | Very high | 97 | Very high | 58 Ų | 58 | 38.8 Ų | 38.8 | 30% | 0.297 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -62.2 | -44.6 | 177.7 | -67.9 | 164.5 | 0 | 0 | 0 | 111.1 | I177 G178 V179 G183 I184 T185 V212 | I177-I181 HydrophobicContact CG2-CD1 3.9Å; I177-I181 VanDerWaalsContact O-CG1 3.31Å; I177-I181 WeakPolarHBondContact O-CG1 3.42Å; I177-I181 PolarHBondContact O-N 3.16Å; G178-I181 PolarHBondContact O-N 3.08Å; V179-I181 PolarHBondContact O-N 3.09Å; I181-G183 VanDerWaalsContact C-N 3.35Å; I181-G183 PolarHBondContact O-N 2.91Å; I181-I184 PolarHBondContact O-N 3.04Å; I181-T185 WeakPolarHBondContact O-CB 3.26Å; I181-T185 PolarHBondContact O-N 2.85Å; I181-T185 PolarHBondContact O-OG1 3.38Å; I181-V212 HydrophobicContact CD1-CG2 3.68Å |
| 182 | S | 98.5 | Very high | 96.2 | Very high | 40 Ų | 40 | 42.8 Ų | 42.8 | 28% | 0.28 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -63.7 | -40 | 177.2 | 59.1 | 0 | 0 | 0 | 0 | 112.1 | H126 G178 V179 C180 T185 E186 | H126-S182 PolarHBondContact ND1-OG 3.38Å; G178-S182 PolarHBondContact O-N 3.38Å; G178-S182 PolarHBondContact O-OG 3.37Å; V179-S182 WeakPolarHBondContact CA-OG 3.37Å; V179-S182 PolarHBondContact O-N 2.84Å; V179-S182 PolarHBondContact O-OG 2.97Å; C180-S182 PolarHBondContact O-N 3.46Å; S182-T185 PolarHBondContact O-N 3.48Å; S182-E186 PolarHBondContact O-N 3.3Å |
| 183 | G | 98.5 | Very high | 95.6 | Very high | 16 Ų | 16 | 44.8 Ų | 44.8 | 17% | 0.165 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -68 | -40.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | H126 V179 C180 I181 T185 E186 K187 | H126-G183 VanDerWaalsContact CE1-CA 3.42Å; H126-G183 WeakPolarHBondContact CE1-CA 3.15Å; H126-G183 WeakPolarHBondContact ND1-CA 3.48Å; H126-G183 PolarHBondContact ND1-N 2.95Å; V179-G183 PolarHBondContact O-N 3.15Å; C180-G183 PolarHBondContact O-N 2.74Å; I181-G183 VanDerWaalsContact C-N 3.35Å; I181-G183 PolarHBondContact O-N 2.91Å; G183-T185 VanDerWaalsContact C-N 3.3Å; G183-T185 PolarHBondContact O-N 3.43Å; G183-E186 PolarHBondContact O-N 2.8Å; G183-K187 WeakPolarHBondContact O-CB 3.49Å; G183-K187 PolarHBondContact O-N 2.85Å |
| 184 | I | 98.3 | Very high | 95.2 | Very high | 11 Ų | 11 | 46.9 Ų | 46.9 | 6% | 0.056 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.4 | -44 | 173 | -71.6 | 164.4 | 0 | 0 | 0 | 110.3 | W38 C180 I181 K187 N188 G204 L207 L211 | W38-I184 HydrophobicContact CH2-CB 4.3Å; W38-I184 HydrophobicContact CH2-CG1 4.19Å; W38-I184 HydrophobicContact CH2-CG2 3.95Å; W38-I184 HydrophobicContact CZ3-CG1 4.04Å; W38-I184 HydrophobicContact CZ3-CG2 4.45Å; C180-I184 WeakPolarHBondContact O-CB 3.26Å; C180-I184 VanDerWaalsContact O-CG1 3.26Å; C180-I184 WeakPolarHBondContact O-CG1 3.48Å; C180-I184 PolarHBondContact O-N 3.29Å; I181-I184 PolarHBondContact O-N 3.04Å; I184-K187 PolarHBondContact O-N 3.48Å; I184-N188 PolarHBondContact O-N 3.27Å; I184-G204 VanDerWaalsContact CG2-O 3.26Å; I184-G204 WeakPolarHBondContact CG2-O 3.39Å; I184-L207 HydrophobicContact CD1-CD2 3.85Å; I184-L207 HydrophobicContact CD1-CG 3.91Å; I184-L207 HydrophobicContact CG1-CD2 4.38Å; I184-L211 HydrophobicContact CD1-CD1 3.57Å |
| 185 | T | 97.3 | Very high | 95.1 | Very high | 47 Ų | 47 | 49.3 Ų | 49.3 | 29% | 0.288 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.6 | -46.3 | 178.8 | -57.4 | 0 | 0 | 0 | 0 | 111.3 | I181 S182 G183 K187 N188 F189 | I181-T185 WeakPolarHBondContact O-CB 3.26Å; I181-T185 PolarHBondContact O-N 2.85Å; I181-T185 PolarHBondContact O-OG1 3.38Å; S182-T185 PolarHBondContact O-N 3.48Å; G183-T185 VanDerWaalsContact C-N 3.3Å; G183-T185 PolarHBondContact O-N 3.43Å; T185-K187 PolarHBondContact O-N 3.12Å; T185-N188 PolarHBondContact O-N 3.47Å; T185-F189 HydrophobicContact CG2-CD2 3.96Å; T185-F189 HydrophobicContact CG2-CE2 3.44Å; T185-F189 VanDerWaalsContact CG2-CE2 3.44Å; T185-F189 HydrophobicContact CG2-CZ 4.01Å; T185-F189 VanDerWaalsContact O-CD2 3.31Å; T185-F189 WeakPolarHBondContact O-CD2 3.31Å; T185-F189 PolarHBondContact O-N 2.92Å |
| 186 | E | 96.3 | Very high | 94.9 | Very high | 38 Ų | 38 | 52.2 Ų | 52.2 | 18% | 0.178 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.2 | -45 | 175.1 | -176.7 | 170.7 | -173.4 | 0 | 0 | 111.3 | Y123 S124 H126 S182 G183 N188 F189 F190 | Y123-E186 PolarHBondContact OH-OE1 3.14Å; S124-E186 PolarHBondContact OG-OE2 3.25Å; S124-E186 VanDerWaalsContact OG-OE2 3.08Å; H126-E186 IonicContact CD2-OE2 2.64Å; S182-E186 PolarHBondContact O-N 3.3Å; G183-E186 PolarHBondContact O-N 2.8Å; E186-N188 VanDerWaalsContact C-N 3.34Å; E186-N188 PolarHBondContact O-N 3.33Å; E186-F189 WeakPolarHBondContact O-CB 3.21Å; E186-F189 PolarHBondContact O-N 3.2Å; E186-F189 VanDerWaalsContact O-N 3.12Å; E186-F190 HydrophobicContact CG-CE1 4.15Å; E186-F190 HydrophobicContact CG-CE2 3.93Å; E186-F190 HydrophobicContact CG-CZ 3.55Å; E186-F190 PolarHBondContact O-N 3.22Å; E186-F190 VanDerWaalsContact O-N 3.14Å |
| 187 | K | 95.7 | Very high | 94.6 | Very high | 20 Ų | 20 | 55.6 Ų | 55.6 | 9% | 0.087 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61 | -41.3 | 176.4 | -175.6 | 58.3 | 163.8 | -177.3 | 0 | 112.2 | W38 W43 F55 G183 I184 T185 F190 | W38-K187 HydrophobicContact CH2-CB 4.04Å; W38-K187 HydrophobicContact CH2-CG 3.84Å; W38-K187 HydrophobicContact CZ2-CB 4.43Å; W38-K187 HydrophobicContact CZ2-CG 3.98Å; W43-K187 HydrophobicContact CD2-CD 4.36Å; W43-K187 HydrophobicContact CE3-CD 4.28Å; W43-K187 HydrophobicContact CH2-CD 3.94Å; W43-K187 HydrophobicContact CH2-CG 4.23Å; W43-K187 WeakPolarHBondContact CH2-O 3.49Å; W43-K187 HydrophobicContact CZ2-CD 4.02Å; W43-K187 HydrophobicContact CZ2-CG 3.85Å; W43-K187 WeakPolarHBondContact CZ2-O 3.35Å; W43-K187 HydrophobicContact CZ3-CD 4.07Å; F55-K187 HydrophobicContact CD1-CD 4.45Å; F55-K187 HydrophobicContact CE1-CD 3.79Å; G183-K187 WeakPolarHBondContact O-CB 3.49Å; G183-K187 PolarHBondContact O-N 2.85Å; I184-K187 PolarHBondContact O-N 3.48Å; T185-K187 PolarHBondContact O-N 3.12Å; K187-F190 HydrophobicContact CD-CD2 4.2Å; K187-F190 WeakPolarHBondContact O-CB 3.41Å; K187-F190 PolarHBondContact O-N 2.78Å |
| 188 | N | 95.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.7 | -40 | 174.1 | -86.9 | -5.8 | 0 | 0 | 0 | 111.7 | W38 I184 T185 E186 F190 S191 Y194 E201 N205 | W38-N188 WeakPolarHBondContact CZ2-OD1 3.22Å; I184-N188 PolarHBondContact O-N 3.27Å; T185-N188 PolarHBondContact O-N 3.47Å; E186-N188 VanDerWaalsContact C-N 3.34Å; E186-N188 PolarHBondContact O-N 3.33Å; N188-F190 PolarHBondContact O-N 2.89Å; N188-S191 WeakPolarHBondContact O-CA 3.3Å; N188-S191 WeakPolarHBondContact O-CB 3.46Å; N188-S191 PolarHBondContact O-N 2.99Å; N188-Y194 HydrophobicContact CB-CD1 4.3Å; N188-Y194 HydrophobicContact CB-CD2 4.06Å; N188-Y194 HydrophobicContact CB-CE1 4.19Å; N188-Y194 HydrophobicContact CB-CE2 3.95Å; N188-Y194 HydrophobicContact CB-CG 4.24Å; N188-E201 PolarHBondContact ND2-O 3.44Å; N188-E201 WeakPolarHBondContact OD1-CA 3.45Å; N188-N205 PolarHBondContact ND2-OD1 3.35Å |
| 189 | F | 94.9 | Very high | 94.3 | Very high | 133 Ų | 133 | 61.5 Ų | 61.5 | 58% | 0.583 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -63.6 | -26 | 175.6 | -73.3 | -47.1 | 0 | 0 | 0 | 114 | T185 E186 S191 Y194 | T185-F189 HydrophobicContact CG2-CD2 3.96Å; T185-F189 HydrophobicContact CG2-CE2 3.44Å; T185-F189 VanDerWaalsContact CG2-CE2 3.44Å; T185-F189 HydrophobicContact CG2-CZ 4.01Å; T185-F189 VanDerWaalsContact O-CD2 3.31Å; T185-F189 WeakPolarHBondContact O-CD2 3.31Å; T185-F189 PolarHBondContact O-N 2.92Å; E186-F189 WeakPolarHBondContact O-CB 3.21Å; E186-F189 PolarHBondContact O-N 3.2Å; E186-F189 VanDerWaalsContact O-N 3.12Å; F189-S191 CarbonylContact O-C 3.56Å; F189-S191 PolarHBondContact O-N 3.3Å; F189-Y194 AromaticContact CD1-CD1 3.51Å; F189-Y194 HydrophobicContact CD1-CD1 3.51Å; F189-Y194 HydrophobicContact CD1-CE1 4.04Å; F189-Y194 AromaticContact CE1-CD1 3.58Å; F189-Y194 HydrophobicContact CE1-CD1 3.58Å; F189-Y194 AromaticContact CE1-CE1 3.74Å; F189-Y194 HydrophobicContact CE1-CE1 3.74Å; F189-Y194 HydrophobicContact CG-CD1 4.46Å; F189-Y194 HydrophobicContact CZ-CE1 4.38Å |
| 190 | F | 90.5 | Very high | 94.1 | Very high | 105 Ų | 105 | 61.1 Ų | 61.1 | 46% | 0.461 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -67.4 | -19.4 | 171.8 | -60.9 | -33.5 | 0 | 0 | 0 | 113.2 | Y123 E186 K187 N188 K192 | Y123-F190 WeakPolarHBondContact OH-CZ 3.29Å; E186-F190 HydrophobicContact CG-CE1 4.15Å; E186-F190 HydrophobicContact CG-CE2 3.93Å; E186-F190 HydrophobicContact CG-CZ 3.55Å; E186-F190 PolarHBondContact O-N 3.22Å; E186-F190 VanDerWaalsContact O-N 3.14Å; K187-F190 HydrophobicContact CD-CD2 4.2Å; K187-F190 WeakPolarHBondContact O-CB 3.41Å; K187-F190 PolarHBondContact O-N 2.78Å; N188-F190 PolarHBondContact O-N 2.89Å; F190-K192 PolarHBondContact O-N 3.45Å; F190-K192 VanDerWaalsContact O-N 3.14Å |
| 191 | S | 86.8 | Confident | 94 | Very high | 22 Ų | 22 | 61.2 Ų | 61.2 | 15% | 0.154 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -71.6 | 104.9 | 159.8 | -175 | 0 | 0 | 0 | 0 | 108.6 | N188 F189 S193 Y194 E201 | N188-S191 WeakPolarHBondContact O-CA 3.3Å; N188-S191 WeakPolarHBondContact O-CB 3.46Å; N188-S191 PolarHBondContact O-N 2.99Å; F189-S191 CarbonylContact O-C 3.56Å; F189-S191 PolarHBondContact O-N 3.3Å; S191-S193 PolarHBondContact O-N 3.5Å; S191-Y194 PolarHBondContact O-N 3.48Å; S191-E201 WeakPolarHBondContact CB-OE1 3.32Å; S191-E201 PolarHBondContact OG-OE1 2.86Å |
| 192 | K | 81.8 | Confident | 93.9 | Very high | 209 Ų | 209 | 63 Ų | 63 | 91% | 0.909 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -6.4 | 174.1 | -63.2 | -176.3 | 179.3 | -179.3 | 0 | 113.6 | F190 | F190-K192 PolarHBondContact O-N 3.45Å; F190-K192 VanDerWaalsContact O-N 3.14Å |
| 193 | S | 84.8 | Confident | 93.8 | Very high | 44 Ų | 44 | 62.4 Ų | 62.4 | 31% | 0.308 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.5 | 21.8 | 176.1 | -54.1 | 0 | 0 | 0 | 0 | 113.1 | S191 P195 V196 | S191-S193 PolarHBondContact O-N 3.5Å; S193-P195 VanDerWaalsContact C-CD 3.45Å; S193-P195 VanDerWaalsContact C-N 3.32Å; S193-V196 WeakPolarHBondContact O-CA 3.46Å; S193-V196 VanDerWaalsContact O-CB 3.22Å; S193-V196 WeakPolarHBondContact O-CB 3.33Å; S193-V196 PolarHBondContact O-N 2.98Å |
| 194 | Y | 91.7 | Very high | 93.8 | Very high | 47 Ų | 47 | 61.6 Ų | 61.6 | 18% | 0.184 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -51.9 | -41.1 | -178.7 | -178.3 | -147.5 | 0 | 0 | 0 | 114.5 | N188 F189 S191 V196 L197 E201 N205 | N188-Y194 HydrophobicContact CB-CD1 4.3Å; N188-Y194 HydrophobicContact CB-CD2 4.06Å; N188-Y194 HydrophobicContact CB-CE1 4.19Å; N188-Y194 HydrophobicContact CB-CE2 3.95Å; N188-Y194 HydrophobicContact CB-CG 4.24Å; F189-Y194 AromaticContact CD1-CD1 3.51Å; F189-Y194 HydrophobicContact CD1-CD1 3.51Å; F189-Y194 HydrophobicContact CD1-CE1 4.04Å; F189-Y194 AromaticContact CE1-CD1 3.58Å; F189-Y194 HydrophobicContact CE1-CD1 3.58Å; F189-Y194 AromaticContact CE1-CE1 3.74Å; F189-Y194 HydrophobicContact CE1-CE1 3.74Å; F189-Y194 HydrophobicContact CG-CD1 4.46Å; F189-Y194 HydrophobicContact CZ-CE1 4.38Å; S191-Y194 PolarHBondContact O-N 3.48Å; Y194-V196 PolarHBondContact O-N 3.37Å; Y194-V196 VanDerWaalsContact O-N 3.12Å; Y194-L197 HydrophobicContact CD2-CD1 4.48Å; Y194-L197 HydrophobicContact CE2-CD1 4.03Å; Y194-L197 WeakPolarHBondContact O-CA 3.1Å; Y194-L197 PolarHBondContact O-N 2.98Å; Y194-E201 HydrophobicContact CD2-CB 3.58Å; Y194-E201 HydrophobicContact CD2-CG 3.77Å; Y194-E201 HydrophobicContact CE2-CB 3.9Å; Y194-N205 PolarHBondContact OH-ND2 2.89Å; Y194-N205 PolarHBondContact OH-OD1 3.27Å |
| 195 | P | 94.4 | Very high | 93.8 | Very high | 127 Ų | 127 | 63.7 Ų | 63.7 | 83% | 0.825 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -61.1 | -21.4 | 175.3 | -25.2 | 36 | 0 | 0 | 0 | 114.8 | S193 L197 | S193-P195 VanDerWaalsContact C-CD 3.45Å; S193-P195 VanDerWaalsContact C-N 3.32Å; P195-L197 VanDerWaalsContact C-N 3.26Å |
| 196 | V | 94.8 | Very high | 93.8 | Very high | 102 Ų | 102 | 65.6 Ų | 65.6 | 62% | 0.618 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -74.9 | -20.7 | 174 | -175.3 | 0 | 0 | 0 | 0 | 111.3 | S193 Y194 K198 | S193-V196 WeakPolarHBondContact O-CA 3.46Å; S193-V196 VanDerWaalsContact O-CB 3.22Å; S193-V196 WeakPolarHBondContact O-CB 3.33Å; S193-V196 PolarHBondContact O-N 2.98Å; Y194-V196 PolarHBondContact O-N 3.37Å; Y194-V196 VanDerWaalsContact O-N 3.12Å; V196-K198 HydrophobicContact CG1-CG 4.32Å |
| 197 | L | 93.9 | Very high | 94 | Very high | 77 Ų | 77 | 63.9 Ų | 63.9 | 40% | 0.403 | 33% | 0.332 | S | S | . | . | trans | 51 | 62.9 | 176.7 | -166.2 | 69.7 | 0 | 0 | 0 | 112.6 | Y194 P195 E201 L202 | Y194-L197 HydrophobicContact CD2-CD1 4.48Å; Y194-L197 HydrophobicContact CE2-CD1 4.03Å; Y194-L197 WeakPolarHBondContact O-CA 3.1Å; Y194-L197 PolarHBondContact O-N 2.98Å; P195-L197 VanDerWaalsContact C-N 3.26Å; L197-E201 HydrophobicContact CD1-CB 4.17Å; L197-L202 HydrophobicContact CD1-CB 4.43Å; L197-L202 HydrophobicContact CD2-CD1 4.16Å; L197-L202 HydrophobicContact CG-CB 4.32Å; L197-L202 HydrophobicContact CG-CD1 4.46Å | ||
| 198 | K | 94.6 | Very high | 94.1 | Very high | 122 Ų | 122 | 63.5 Ų | 63.5 | 53% | 0.53 | 33% | 0.334 | S | S | . | . | trans | -69.9 | 172 | 173.8 | -57 | 176.6 | 176.4 | 173 | 0 | 109.4 | V196 G200 E201 L202 | V196-K198 HydrophobicContact CG1-CG 4.32Å; K198-G200 PolarHBondContact O-N 2.79Å; K198-G200 VanDerWaalsContact O-N 3.09Å; K198-E201 VanDerWaalsContact CA-OE2 3.31Å; K198-E201 WeakPolarHBondContact CA-OE2 3.35Å; K198-E201 WeakPolarHBondContact CB-OE2 3.49Å; K198-E201 PolarHBondContact N-OE2 3.21Å; K198-E201 PolarHBondContact O-N 3.48Å; K198-E201 VanDerWaalsContact O-N 3.1Å; K198-L202 WeakPolarHBondContact O-CB 2.94Å; K198-L202 PolarHBondContact O-N 3.01Å | ||
| 199 | A | 95.2 | Very high | 94.2 | Very high | 47 Ų | 47 | 67.8 Ų | 67.8 | 39% | 0.388 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -53.9 | -34.3 | -177 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y42 I203 | Y42-A199 HydrophobicContact CE1-CB 3.67Å; A199-I203 WeakPolarHBondContact O-CB 3.4Å; A199-I203 WeakPolarHBondContact O-CD1 3.4Å; A199-I203 VanDerWaalsContact O-CG1 3.22Å; A199-I203 WeakPolarHBondContact O-CG1 3.42Å; A199-I203 PolarHBondContact O-N 3.1Å |
| 200 | G | 94.6 | Very high | 94.4 | Very high | 6 Ų | 6 | 61.8 Ų | 61.8 | 6% | 0.062 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.2 | -51.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | W38 K198 I203 G204 | W38-G200 PolarHBondContact NE1-O 3.49Å; K198-G200 PolarHBondContact O-N 2.79Å; K198-G200 VanDerWaalsContact O-N 3.09Å; G200-I203 PolarHBondContact O-N 3.09Å; G200-G204 PolarHBondContact O-N 3.18Å; G200-G204 VanDerWaalsContact O-N 3.11Å |
| 201 | E | 96.4 | Very high | 94.8 | Very high | 15 Ų | 15 | 56.8 Ų | 56.8 | 7% | 0.07 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -70.9 | -34.2 | -179.1 | -58.4 | 78.9 | -167.9 | 0 | 0 | 112 | N188 S191 Y194 L197 K198 G204 N205 | N188-E201 PolarHBondContact ND2-O 3.44Å; N188-E201 WeakPolarHBondContact OD1-CA 3.45Å; S191-E201 WeakPolarHBondContact CB-OE1 3.32Å; S191-E201 PolarHBondContact OG-OE1 2.86Å; Y194-E201 HydrophobicContact CD2-CB 3.58Å; Y194-E201 HydrophobicContact CD2-CG 3.77Å; Y194-E201 HydrophobicContact CE2-CB 3.9Å; L197-E201 HydrophobicContact CD1-CB 4.17Å; K198-E201 VanDerWaalsContact CA-OE2 3.31Å; K198-E201 WeakPolarHBondContact CA-OE2 3.35Å; K198-E201 WeakPolarHBondContact CB-OE2 3.49Å; K198-E201 PolarHBondContact N-OE2 3.21Å; K198-E201 PolarHBondContact O-N 3.48Å; K198-E201 VanDerWaalsContact O-N 3.1Å; E201-G204 PolarHBondContact O-N 3.04Å; E201-N205 PolarHBondContact O-N 2.93Å |
| 202 | L | 96.9 | Very high | 95.4 | Very high | 94 Ų | 94 | 59.4 Ų | 59.4 | 49% | 0.492 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59 | -46.4 | 172.8 | -179.6 | 65.4 | 0 | 0 | 0 | 111.6 | L197 K198 G204 N205 L206 | L197-L202 HydrophobicContact CD1-CB 4.43Å; L197-L202 HydrophobicContact CD2-CD1 4.16Å; L197-L202 HydrophobicContact CG-CB 4.32Å; L197-L202 HydrophobicContact CG-CD1 4.46Å; K198-L202 WeakPolarHBondContact O-CB 2.94Å; K198-L202 PolarHBondContact O-N 3.01Å; L202-G204 VanDerWaalsContact C-N 3.32Å; L202-G204 PolarHBondContact O-N 2.94Å; L202-N205 PolarHBondContact O-N 2.64Å; L202-L206 WeakPolarHBondContact O-CB 3.34Å; L202-L206 PolarHBondContact O-N 3.26Å |
| 203 | I | 97.3 | Very high | 96.2 | Very high | 28 Ų | 28 | 52.1 Ų | 52.1 | 14% | 0.144 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.9 | -38.2 | 177.2 | -70.4 | 166.3 | 0 | 0 | 0 | 110.8 | L34 W38 Y42 A199 G200 N205 L206 L207 | L34-I203 HydrophobicContact CD2-CG2 4.4Å; W38-I203 HydrophobicContact CB-CG2 3.69Å; W38-I203 HydrophobicContact CG-CG2 4.02Å; Y42-I203 HydrophobicContact CD2-CD1 4.03Å; Y42-I203 HydrophobicContact CE2-CD1 3.26Å; A199-I203 WeakPolarHBondContact O-CB 3.4Å; A199-I203 WeakPolarHBondContact O-CD1 3.4Å; A199-I203 VanDerWaalsContact O-CG1 3.22Å; A199-I203 WeakPolarHBondContact O-CG1 3.42Å; A199-I203 PolarHBondContact O-N 3.1Å; G200-I203 PolarHBondContact O-N 3.09Å; I203-N205 PolarHBondContact O-N 3.27Å; I203-L206 PolarHBondContact O-N 3.39Å; I203-L207 WeakPolarHBondContact O-CB 3.39Å; I203-L207 PolarHBondContact O-N 3.4Å |
| 204 | G | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -57.9 | -46.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | I184 G200 E201 L202 L207 G208 | I184-G204 VanDerWaalsContact CG2-O 3.26Å; I184-G204 WeakPolarHBondContact CG2-O 3.39Å; G200-G204 PolarHBondContact O-N 3.18Å; G200-G204 VanDerWaalsContact O-N 3.11Å; E201-G204 PolarHBondContact O-N 3.04Å; L202-G204 VanDerWaalsContact C-N 3.32Å; L202-G204 PolarHBondContact O-N 2.94Å; G204-L207 WeakPolarHBondContact O-CB 3.46Å; G204-L207 PolarHBondContact O-N 3.18Å; G204-G208 PolarHBondContact O-N 2.98Å; G204-G208 VanDerWaalsContact O-N 3.08Å |
| 205 | N | 98 | Very high | 97.2 | Very high | 54 Ų | 54 | 48.3 Ų | 48.3 | 29% | 0.289 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -65.4 | -42.7 | 176.9 | -74 | -11.2 | 0 | 0 | 0 | 112.4 | N188 Y194 E201 L202 I203 L207 G208 V209 | N188-N205 PolarHBondContact ND2-OD1 3.35Å; Y194-N205 PolarHBondContact OH-ND2 2.89Å; Y194-N205 PolarHBondContact OH-OD1 3.27Å; E201-N205 PolarHBondContact O-N 2.93Å; L202-N205 PolarHBondContact O-N 2.64Å; I203-N205 PolarHBondContact O-N 3.27Å; N205-L207 VanDerWaalsContact C-N 3.32Å; N205-L207 PolarHBondContact O-N 3.2Å; N205-G208 PolarHBondContact O-N 3.08Å; N205-G208 VanDerWaalsContact O-N 3.16Å; N205-V209 PolarHBondContact O-N 3.45Å; N205-V209 VanDerWaalsContact O-N 3.11Å |
| 206 | L | 98.4 | Very high | 97.4 | Very high | 88 Ų | 88 | 44.1 Ų | 44.1 | 46% | 0.461 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -59.9 | -43.5 | 175.1 | 176.5 | 61.6 | 0 | 0 | 0 | 111.4 | L34 L202 I203 G208 V209 V210 | L34-L206 HydrophobicContact CD1-CD2 4.32Å; L34-L206 HydrophobicContact CD1-CG 4.24Å; L34-L206 HydrophobicContact CD2-CD2 4.49Å; L202-L206 WeakPolarHBondContact O-CB 3.34Å; L202-L206 PolarHBondContact O-N 3.26Å; I203-L206 PolarHBondContact O-N 3.39Å; L206-G208 VanDerWaalsContact C-N 3.3Å; L206-G208 PolarHBondContact O-N 2.88Å; L206-V209 PolarHBondContact O-N 3.36Å; L206-V209 VanDerWaalsContact O-N 3.16Å; L206-V210 HydrophobicContact CD1-CG2 4.32Å; L206-V210 HydrophobicContact CG-CG2 4.45Å; L206-V210 WeakPolarHBondContact O-CG2 3.42Å; L206-V210 PolarHBondContact O-N 3.11Å |
| 207 | L | 98.7 | Very high | 97.5 | Very high | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -56.2 | -46.8 | 174.3 | 173.3 | 62.4 | 0 | 0 | 0 | 110.4 | A31 L34 T35 W38 I184 I203 G204 N205 V209 V210 L211 | A31-L207 HydrophobicContact CB-CD1 4.08Å; A31-L207 WeakPolarHBondContact O-CD1 3.38Å; L34-L207 HydrophobicContact CB-CD1 4.17Å; T35-L207 HydrophobicContact CG2-CD2 4.35Å; T35-L207 WeakPolarHBondContact OG1-CD1 3.34Å; T35-L207 VanDerWaalsContact OG1-CD2 3.25Å; T35-L207 WeakPolarHBondContact OG1-CD2 3.39Å; W38-L207 HydrophobicContact CE3-CD2 3.82Å; W38-L207 HydrophobicContact CZ3-CD2 4.05Å; I184-L207 HydrophobicContact CD1-CD2 3.85Å; I184-L207 HydrophobicContact CD1-CG 3.91Å; I184-L207 HydrophobicContact CG1-CD2 4.38Å; I203-L207 WeakPolarHBondContact O-CB 3.39Å; I203-L207 PolarHBondContact O-N 3.4Å; G204-L207 WeakPolarHBondContact O-CB 3.46Å; G204-L207 PolarHBondContact O-N 3.18Å; N205-L207 VanDerWaalsContact C-N 3.32Å; N205-L207 PolarHBondContact O-N 3.2Å; L207-V209 VanDerWaalsContact C-N 3.32Å; L207-V209 PolarHBondContact O-N 3.27Å; L207-V210 PolarHBondContact O-N 2.9Å; L207-V210 VanDerWaalsContact O-N 3.13Å; L207-L211 HydrophobicContact CD1-CD2 4.3Å; L207-L211 HydrophobicContact CD1-CG 4.2Å; L207-L211 HydrophobicContact CG-CD1 4.41Å; L207-L211 HydrophobicContact CG-CG 4.43Å; L207-L211 VanDerWaalsContact O-CG 3.3Å; L207-L211 WeakPolarHBondContact O-CG 3.48Å; L207-L211 PolarHBondContact O-N 3.1Å |
| 208 | G | 98.7 | Very high | 97.7 | Very high | 12 Ų | 12 | 37 Ų | 37 | 12% | 0.124 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -53.7 | -45.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | G204 N205 L206 L211 V212 | G204-G208 PolarHBondContact O-N 2.98Å; G204-G208 VanDerWaalsContact O-N 3.08Å; N205-G208 PolarHBondContact O-N 3.08Å; N205-G208 VanDerWaalsContact O-N 3.16Å; L206-G208 VanDerWaalsContact C-N 3.3Å; L206-G208 PolarHBondContact O-N 2.88Å; G208-L211 PolarHBondContact O-N 2.75Å; G208-V212 WeakPolarHBondContact O-CG2 3.39Å; G208-V212 PolarHBondContact O-N 3.03Å |
| 209 | V | 98.6 | Very high | 97.9 | Very high | 90 Ų | 90 | 35.2 Ų | 35.2 | 55% | 0.545 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63.6 | -45.1 | 175.7 | 176.2 | 0 | 0 | 0 | 0 | 111.6 | N205 L206 L207 L211 V212 V213 | N205-V209 PolarHBondContact O-N 3.45Å; N205-V209 VanDerWaalsContact O-N 3.11Å; L206-V209 PolarHBondContact O-N 3.36Å; L206-V209 VanDerWaalsContact O-N 3.16Å; L207-V209 VanDerWaalsContact C-N 3.32Å; L207-V209 PolarHBondContact O-N 3.27Å; V209-L211 VanDerWaalsContact C-N 3.3Å; V209-L211 PolarHBondContact O-N 3.28Å; V209-V212 PolarHBondContact O-N 3.34Å; V209-V212 VanDerWaalsContact O-N 3.16Å; V209-V213 PolarHBondContact O-N 3.19Å |
| 210 | V | 98.8 | Very high | 97.9 | Very high | 7 Ų | 7 | 38 Ų | 38 | 4% | 0.042 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60 | -40.6 | 178 | 169.3 | 0 | 0 | 0 | 0 | 111.2 | F27 L30 A31 L34 L206 L207 V212 V213 F214 | F27-V210 HydrophobicContact CD1-CG1 4.12Å; L30-V210 HydrophobicContact CB-CG1 4.47Å; L30-V210 HydrophobicContact CD2-CG1 4.26Å; L30-V210 HydrophobicContact CD2-CG2 4.03Å; L30-V210 HydrophobicContact CG-CG1 4.29Å; A31-V210 HydrophobicContact CB-CG1 3.93Å; L34-V210 HydrophobicContact CD1-CB 4.47Å; L34-V210 HydrophobicContact CD1-CG2 3.93Å; L206-V210 HydrophobicContact CD1-CG2 4.32Å; L206-V210 HydrophobicContact CG-CG2 4.45Å; L206-V210 WeakPolarHBondContact O-CG2 3.42Å; L206-V210 PolarHBondContact O-N 3.11Å; L207-V210 PolarHBondContact O-N 2.9Å; L207-V210 VanDerWaalsContact O-N 3.13Å; V210-V212 VanDerWaalsContact C-N 3.34Å; V210-V212 PolarHBondContact O-N 3.45Å; V210-V213 PolarHBondContact O-N 2.92Å; V210-F214 WeakPolarHBondContact O-CB 3.5Å; V210-F214 PolarHBondContact O-N 2.83Å |
| 211 | L | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.5 | -40.9 | 175.9 | -65.8 | 178.5 | 0 | 0 | 0 | 112.1 | A31 V63 V67 C180 I184 L207 G208 V209 C215 | A31-L211 HydrophobicContact CB-CD2 3.83Å; V63-L211 HydrophobicContact CG1-CD2 4.13Å; V63-L211 HydrophobicContact CG2-CD2 4.27Å; V67-L211 HydrophobicContact CB-CD2 4.42Å; V67-L211 HydrophobicContact CG1-CD2 3.85Å; V67-L211 HydrophobicContact CG2-CD2 4.29Å; C180-L211 HydrophobicContact CB-CD1 3.89Å; I184-L211 HydrophobicContact CD1-CD1 3.57Å; L207-L211 HydrophobicContact CD1-CD2 4.3Å; L207-L211 HydrophobicContact CD1-CG 4.2Å; L207-L211 HydrophobicContact CG-CD1 4.41Å; L207-L211 HydrophobicContact CG-CG 4.43Å; L207-L211 VanDerWaalsContact O-CG 3.3Å; L207-L211 WeakPolarHBondContact O-CG 3.48Å; L207-L211 PolarHBondContact O-N 3.1Å; G208-L211 PolarHBondContact O-N 2.75Å; V209-L211 VanDerWaalsContact C-N 3.3Å; V209-L211 PolarHBondContact O-N 3.28Å; L211-C215 VanDerWaalsContact O-CB 3.27Å; L211-C215 WeakPolarHBondContact O-CB 3.19Å; L211-C215 PolarHBondContact O-N 3.19Å |
| 212 | V | 98.7 | Very high | 98 | Very high | 78 Ų | 78 | 37.4 Ų | 37.4 | 47% | 0.473 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -65.2 | -45.5 | 177 | 173.6 | 0 | 0 | 0 | 0 | 111.1 | I181 G208 V209 V210 C215 G216 | I181-V212 HydrophobicContact CD1-CG2 3.68Å; G208-V212 WeakPolarHBondContact O-CG2 3.39Å; G208-V212 PolarHBondContact O-N 3.03Å; V209-V212 PolarHBondContact O-N 3.34Å; V209-V212 VanDerWaalsContact O-N 3.16Å; V210-V212 VanDerWaalsContact C-N 3.34Å; V210-V212 PolarHBondContact O-N 3.45Å; V212-C215 WeakPolarHBondContact O-CB 3.47Å; V212-C215 PolarHBondContact O-N 3.41Å; V212-G216 PolarHBondContact O-N 3.14Å |
| 213 | V | 98.7 | Very high | 97.8 | Very high | 56 Ų | 56 | 36.6 Ų | 36.6 | 34% | 0.339 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -62.8 | -46 | 178 | 176.4 | 0 | 0 | 0 | 0 | 110.8 | F27 V209 V210 C215 G216 L217 | F27-V213 HydrophobicContact CD1-CB 3.9Å; F27-V213 HydrophobicContact CD1-CG1 3.63Å; F27-V213 HydrophobicContact CD2-CG1 4.39Å; F27-V213 HydrophobicContact CE1-CB 3.86Å; F27-V213 HydrophobicContact CE1-CG1 3.45Å; F27-V213 VanDerWaalsContact CE1-CG1 3.45Å; F27-V213 HydrophobicContact CE1-CG2 4.36Å; F27-V213 HydrophobicContact CE2-CG1 4.23Å; F27-V213 HydrophobicContact CG-CG1 4.12Å; F27-V213 HydrophobicContact CZ-CG1 3.78Å; V209-V213 PolarHBondContact O-N 3.19Å; V210-V213 PolarHBondContact O-N 2.92Å; V213-C215 PolarHBondContact O-N 3.25Å; V213-G216 PolarHBondContact O-N 3.2Å; V213-L217 HydrophobicContact CG1-CD1 4.12Å; V213-L217 WeakPolarHBondContact O-CG 3.22Å; V213-L217 PolarHBondContact O-N 2.88Å |
| 214 | F | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.8 | -47.2 | 176 | 178.6 | -117.3 | 0 | 0 | 0 | 111.6 | S24 F27 V67 F68 Y173 V210 G216 L217 I218 | S24-F214 WeakPolarHBondContact O-CD2 3.42Å; S24-F214 WeakPolarHBondContact O-CE2 3.36Å; F27-F214 HydrophobicContact CB-CB 4.16Å; F27-F214 HydrophobicContact CB-CD2 4.29Å; V67-F214 HydrophobicContact CG1-CD1 3.59Å; V67-F214 HydrophobicContact CG1-CE1 3.73Å; F68-F214 HydrophobicContact CD2-CE2 4.48Å; F68-F214 AromaticContact CD2-CZ 3.96Å; F68-F214 HydrophobicContact CD2-CZ 3.96Å; Y173-F214 WeakPolarHBondContact OH-CE1 3.21Å; V210-F214 WeakPolarHBondContact O-CB 3.5Å; V210-F214 PolarHBondContact O-N 2.83Å; F214-G216 VanDerWaalsContact C-N 3.34Å; F214-G216 PolarHBondContact O-N 3.3Å; F214-L217 PolarHBondContact O-N 3Å; F214-I218 HydrophobicContact CD1-CG1 4.49Å; F214-I218 HydrophobicContact CD2-CG1 4.14Å; F214-I218 HydrophobicContact CE1-CG1 4.09Å; F214-I218 HydrophobicContact CE2-CD1 3.78Å; F214-I218 HydrophobicContact CE2-CG1 3.71Å; F214-I218 HydrophobicContact CZ-CD1 3.88Å; F214-I218 HydrophobicContact CZ-CG1 3.68Å; F214-I218 WeakPolarHBondContact O-CG1 3.02Å; F214-I218 PolarHBondContact O-N 3.24Å |
| 215 | C | 98.6 | Very high | 97.1 | Very high | 10 Ų | 10 | 41 Ų | 41 | 7% | 0.068 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -56.5 | -47.5 | 175.6 | -179.5 | 0 | 0 | 0 | 0 | 112 | L174 I177 L211 V212 V213 L217 I218 F219 | L174-C215 VanDerWaalsContact CD2-SG 3.58Å; I177-C215 HydrophobicContact CD1-CB 3.95Å; I177-C215 HydrophobicContact CG1-CB 3.8Å; I177-C215 HydrophobicContact CG2-CB 4.21Å; L211-C215 VanDerWaalsContact O-CB 3.27Å; L211-C215 WeakPolarHBondContact O-CB 3.19Å; L211-C215 PolarHBondContact O-N 3.19Å; V212-C215 WeakPolarHBondContact O-CB 3.47Å; V212-C215 PolarHBondContact O-N 3.41Å; V213-C215 PolarHBondContact O-N 3.25Å; C215-L217 VanDerWaalsContact C-N 3.34Å; C215-L217 PolarHBondContact O-N 3.27Å; C215-I218 PolarHBondContact O-N 3.4Å; C215-F219 WeakPolarHBondContact O-CB 3.31Å; C215-F219 PolarHBondContact O-N 2.91Å |
| 216 | G | 98.4 | Very high | 96.7 | Very high | 40 Ų | 40 | 42.5 Ų | 42.5 | 41% | 0.412 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -59.5 | -41.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | V212 V213 F214 F219 Y220 | V212-G216 PolarHBondContact O-N 3.14Å; V213-G216 PolarHBondContact O-N 3.2Å; F214-G216 VanDerWaalsContact C-N 3.34Å; F214-G216 PolarHBondContact O-N 3.3Å; G216-F219 PolarHBondContact O-N 2.53Å; G216-Y220 VanDerWaalsContact O-CB 3.32Å; G216-Y220 WeakPolarHBondContact O-CB 3.33Å; G216-Y220 PolarHBondContact O-N 2.95Å |
| 217 | L | 98.4 | Very high | 96.3 | Very high | 28 Ų | 28 | 38.5 Ų | 38.5 | 15% | 0.147 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.8 | -47.7 | 175.8 | -70.4 | 166.8 | 0 | 0 | 0 | 111.9 | L20 I23 F27 V213 F214 C215 F219 Y220 L221 | L20-L217 HydrophobicContact CD2-CD2 4.16Å; I23-L217 HydrophobicContact CG2-CD1 3.84Å; I23-L217 HydrophobicContact CG2-CD2 4.44Å; F27-L217 HydrophobicContact CB-CD1 4.42Å; F27-L217 HydrophobicContact CD2-CD1 4.06Å; F27-L217 HydrophobicContact CG-CD1 4.32Å; V213-L217 HydrophobicContact CG1-CD1 4.12Å; V213-L217 WeakPolarHBondContact O-CG 3.22Å; V213-L217 PolarHBondContact O-N 2.88Å; F214-L217 PolarHBondContact O-N 3Å; C215-L217 VanDerWaalsContact C-N 3.34Å; C215-L217 PolarHBondContact O-N 3.27Å; L217-F219 VanDerWaalsContact C-N 3.34Å; L217-F219 PolarHBondContact O-N 3.12Å; L217-Y220 PolarHBondContact O-N 2.9Å; L217-L221 WeakPolarHBondContact O-CB 3.23Å; L217-L221 VanDerWaalsContact O-CG 3.27Å; L217-L221 WeakPolarHBondContact O-CG 3.47Å; L217-L221 PolarHBondContact O-N 3.47Å |
| 218 | I | 98.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62 | -43.8 | 177.2 | -65 | -60.8 | 0 | 0 | 0 | 110.8 | I74 L75 Y173 F214 C215 L221 T222 | I74-I218 HydrophobicContact CD1-CG2 3.46Å; I74-I218 VanDerWaalsContact CD1-CG2 3.46Å; I74-I218 HydrophobicContact CG1-CG2 3.81Å; L75-I218 HydrophobicContact CB-CD1 4.38Å; L75-I218 HydrophobicContact CD2-CD1 3.87Å; Y173-I218 HydrophobicContact CD1-CG2 4.4Å; Y173-I218 HydrophobicContact CE1-CB 3.97Å; Y173-I218 HydrophobicContact CE1-CG2 3.69Å; F214-I218 HydrophobicContact CD1-CG1 4.49Å; F214-I218 HydrophobicContact CD2-CG1 4.14Å; F214-I218 HydrophobicContact CE1-CG1 4.09Å; F214-I218 HydrophobicContact CE2-CD1 3.78Å; F214-I218 HydrophobicContact CE2-CG1 3.71Å; F214-I218 HydrophobicContact CZ-CD1 3.88Å; F214-I218 HydrophobicContact CZ-CG1 3.68Å; F214-I218 WeakPolarHBondContact O-CG1 3.02Å; F214-I218 PolarHBondContact O-N 3.24Å; C215-I218 PolarHBondContact O-N 3.4Å; I218-L221 PolarHBondContact O-N 2.86Å; I218-T222 HydrophobicContact CG2-CG2 4.28Å; I218-T222 WeakPolarHBondContact O-CB 3.48Å; I218-T222 VanDerWaalsContact O-CG2 3.23Å; I218-T222 WeakPolarHBondContact O-CG2 3.48Å; I218-T222 PolarHBondContact O-N 2.88Å; I218-T222 PolarHBondContact O-OG1 3.23Å |
| 219 | F | 97.1 | Very high | 95.1 | Very high | 86 Ų | 86 | 47.7 Ų | 47.7 | 38% | 0.377 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62.6 | -47.5 | 178 | -166.5 | -93.7 | 0 | 0 | 0 | 111.2 | L174 C215 G216 L217 T222 Q223 | L174-F219 HydrophobicContact CD1-CE2 4.14Å; L174-F219 HydrophobicContact CD2-CD2 4.21Å; C215-F219 WeakPolarHBondContact O-CB 3.31Å; C215-F219 PolarHBondContact O-N 2.91Å; G216-F219 PolarHBondContact O-N 2.53Å; L217-F219 VanDerWaalsContact C-N 3.34Å; L217-F219 PolarHBondContact O-N 3.12Å; F219-T222 PolarHBondContact O-N 3.12Å; F219-T222 PolarHBondContact O-OG1 2.97Å; F219-T222 VanDerWaalsContact O-OG1 3.11Å; F219-Q223 HydrophobicContact CD1-CG 4.05Å; F219-Q223 HydrophobicContact CD2-CG 4.33Å; F219-Q223 HydrophobicContact CE1-CG 3.82Å; F219-Q223 HydrophobicContact CE2-CG 4.12Å; F219-Q223 HydrophobicContact CG-CG 4.31Å; F219-Q223 HydrophobicContact CZ-CG 3.86Å; F219-Q223 WeakPolarHBondContact O-CB 3.46Å; F219-Q223 VanDerWaalsContact O-CG 3.24Å; F219-Q223 WeakPolarHBondContact O-CG 3.28Å; F219-Q223 PolarHBondContact O-N 3.42Å |
| 220 | Y | 96.5 | Very high | 94.1 | Very high | 105 Ų | 105 | 47.6 Ų | 47.6 | 41% | 0.412 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -58.4 | -53 | 175.7 | 179.8 | -94.9 | 0 | 0 | 0 | 111.5 | L20 G216 L217 T222 Q223 H224 Y227 | L20-Y220 HydrophobicContact CD1-CD1 3.93Å; L20-Y220 HydrophobicContact CD1-CE1 3.47Å; L20-Y220 VanDerWaalsContact CD1-CE1 3.47Å; G216-Y220 VanDerWaalsContact O-CB 3.32Å; G216-Y220 WeakPolarHBondContact O-CB 3.33Å; G216-Y220 PolarHBondContact O-N 2.95Å; L217-Y220 PolarHBondContact O-N 2.9Å; Y220-T222 VanDerWaalsContact C-N 3.28Å; Y220-T222 PolarHBondContact O-N 3.15Å; Y220-Q223 PolarHBondContact O-N 3.45Å; Y220-H224 AromaticContact CE2-CD2 3.76Å; Y220-H224 AromaticContact CZ-CD2 3.44Å; Y220-H224 VanDerWaalsContact CZ-CD2 3.44Å; Y220-H224 VanDerWaalsContact O-CB 3.24Å; Y220-H224 WeakPolarHBondContact O-CB 3.42Å; Y220-H224 PolarHBondContact O-N 2.95Å; Y220-H224 PolarHBondContact OH-CD2 3.28Å; Y220-H224 VanDerWaalsContact OH-CD2 3.29Å; Y220-H224 PolarHBondContact OH-NE2 3.41Å; Y220-Y227 HydrophobicContact CD1-CE2 4.47Å; Y220-Y227 AromaticContact CE1-CE2 3.92Å; Y220-Y227 HydrophobicContact CE1-CE2 3.92Å |
| 221 | L | 96.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.9 | -37.8 | -178.8 | -76.2 | 166.7 | 0 | 0 | 0 | 112.9 | F17 L20 V21 L75 L217 I218 Y227 | F17-L221 HydrophobicContact CD2-CD2 3.81Å; F17-L221 HydrophobicContact CE2-CD2 3.89Å; L20-L221 HydrophobicContact CB-CD2 3.73Å; L20-L221 HydrophobicContact CB-CG 4.33Å; L20-L221 HydrophobicContact CD1-CD2 4.48Å; V21-L221 HydrophobicContact CG2-CD1 4.08Å; V21-L221 HydrophobicContact CG2-CD2 3.96Å; L75-L221 HydrophobicContact CD1-CB 3.6Å; L75-L221 HydrophobicContact CD1-CD1 3.94Å; L75-L221 HydrophobicContact CD1-CG 4.33Å; L75-L221 HydrophobicContact CD2-CD1 4.31Å; L217-L221 WeakPolarHBondContact O-CB 3.23Å; L217-L221 VanDerWaalsContact O-CG 3.27Å; L217-L221 WeakPolarHBondContact O-CG 3.47Å; L217-L221 PolarHBondContact O-N 3.47Å; I218-L221 PolarHBondContact O-N 2.86Å; L221-Y227 HydrophobicContact CD2-CD2 4.12Å; L221-Y227 HydrophobicContact CD2-CE2 4.08Å |
| 222 | T | 95.8 | Very high | 91.1 | Very high | 9 Ų | 9 | 57.7 Ų | 57.7 | 6% | 0.055 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -79.9 | -34.1 | -178 | 54.6 | 0 | 0 | 0 | 0 | 113.1 | I74 L75 R78 I218 F219 Y220 | I74-T222 HydrophobicContact CB-CG2 4.49Å; I74-T222 HydrophobicContact CD1-CG2 4.41Å; I74-T222 HydrophobicContact CG1-CG2 4.21Å; L75-T222 HydrophobicContact CD1-CG2 4.39Å; R78-T222 VanDerWaalsContact CZ-O 3.26Å; R78-T222 PolarHBondContact NE-O 3.04Å; R78-T222 PolarHBondContact NH2-O 3.5Å; I218-T222 HydrophobicContact CG2-CG2 4.28Å; I218-T222 WeakPolarHBondContact O-CB 3.48Å; I218-T222 VanDerWaalsContact O-CG2 3.23Å; I218-T222 WeakPolarHBondContact O-CG2 3.48Å; I218-T222 PolarHBondContact O-N 2.88Å; I218-T222 PolarHBondContact O-OG1 3.23Å; F219-T222 PolarHBondContact O-N 3.12Å; F219-T222 PolarHBondContact O-OG1 2.97Å; F219-T222 VanDerWaalsContact O-OG1 3.11Å; Y220-T222 VanDerWaalsContact C-N 3.28Å; Y220-T222 PolarHBondContact O-N 3.15Å |
| 223 | Q | 93.5 | Very high | 89.3 | Confident | 76 Ų | 76 | 57.6 Ų | 57.6 | 36% | 0.355 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -89.2 | -20.3 | -177.9 | -59.6 | -55.5 | -35.7 | 0 | 0 | 113.7 | F219 Y220 P225 | F219-Q223 HydrophobicContact CD1-CG 4.05Å; F219-Q223 HydrophobicContact CD2-CG 4.33Å; F219-Q223 HydrophobicContact CE1-CG 3.82Å; F219-Q223 HydrophobicContact CE2-CG 4.12Å; F219-Q223 HydrophobicContact CG-CG 4.31Å; F219-Q223 HydrophobicContact CZ-CG 3.86Å; F219-Q223 WeakPolarHBondContact O-CB 3.46Å; F219-Q223 VanDerWaalsContact O-CG 3.24Å; F219-Q223 WeakPolarHBondContact O-CG 3.28Å; F219-Q223 PolarHBondContact O-N 3.42Å; Y220-Q223 PolarHBondContact O-N 3.45Å; Q223-P225 WeakPolarHBondContact O-CD 3.47Å |
| 224 | H | 92.5 | Very high | 87.6 | Confident | 40 Ų | 40 | 56.9 Ų | 56.9 | 19% | 0.185 | 29% | 0.286 | C | S | . | . | trans | -62.9 | 121.8 | -176.1 | -163.3 | -89.3 | 0 | 0 | 0 | 112.6 | Y220 N226 Y227 | Y220-H224 AromaticContact CE2-CD2 3.76Å; Y220-H224 AromaticContact CZ-CD2 3.44Å; Y220-H224 VanDerWaalsContact CZ-CD2 3.44Å; Y220-H224 VanDerWaalsContact O-CB 3.24Å; Y220-H224 WeakPolarHBondContact O-CB 3.42Å; Y220-H224 PolarHBondContact O-N 2.95Å; Y220-H224 PolarHBondContact OH-CD2 3.28Å; Y220-H224 VanDerWaalsContact OH-CD2 3.29Å; Y220-H224 PolarHBondContact OH-NE2 3.41Å; H224-N226 VanDerWaalsContact C-N 3.31Å; H224-N226 PolarHBondContact ND1-N 3.25Å; H224-N226 PolarHBondContact O-N 2.97Å; H224-Y227 HydrophobicContact CB-CD2 3.44Å; H224-Y227 VanDerWaalsContact CB-CD2 3.44Å; H224-Y227 HydrophobicContact CB-CE2 3.78Å; H224-Y227 HydrophobicContact CB-CG 4.1Å; H224-Y227 AromaticContact CG-CD2 3.8Å; H224-Y227 AromaticContact CG-CE2 3.73Å; H224-Y227 AromaticContact ND1-CD2 3.84Å; H224-Y227 AromaticContact ND1-CE1 3.97Å; H224-Y227 AromaticContact ND1-CE2 3.77Å; H224-Y227 AromaticContact ND1-CG 3.96Å; H224-Y227 AromaticContact ND1-CZ 3.84Å; H224-Y227 PolarHBondContact O-N 2.88Å; H224-Y227 VanDerWaalsContact O-N 3.11Å | ||
| 225 | P | 88.3 | Confident | 85.8 | Confident | 81 Ų | 81 | 62 Ų | 62 | 53% | 0.526 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -57.1 | -40.1 | -174.8 | -27.6 | 35.3 | 0 | 0 | 0 | 114 | Q223 Y227 R228 | Q223-P225 WeakPolarHBondContact O-CD 3.47Å; P225-Y227 PolarHBondContact O-N 2.97Å; P225-Y227 VanDerWaalsContact O-N 3.14Å; P225-R228 WeakPolarHBondContact O-CB 3.5Å; P225-R228 VanDerWaalsContact O-CG 3.31Å; P225-R228 WeakPolarHBondContact O-CG 3.45Å; P225-R228 PolarHBondContact O-N 2.59Å |
| 226 | N | 88.7 | Confident | 84.1 | Confident | 86 Ų | 86 | 68.8 Ų | 68.8 | 46% | 0.46 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | -70.9 | -11.1 | -176 | -57.3 | -10.6 | 0 | 0 | 0 | 113.4 | R81 H224 | R81-N226 PolarHBondContact NH1-O 2.98Å; H224-N226 VanDerWaalsContact C-N 3.31Å; H224-N226 PolarHBondContact ND1-N 3.25Å; H224-N226 PolarHBondContact O-N 2.97Å |
| 227 | Y | 89.4 | Confident | 82.1 | Confident | 4 Ų | 4 | 72.4 Ų | 72.4 | 2% | 0.016 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | -100.2 | 1 | 179.4 | -54.5 | -25.5 | 0 | 0 | 0 | 112.9 | F17 L20 R78 Y220 L221 H224 P225 | F17-Y227 HydrophobicContact CB-CD1 3.9Å; F17-Y227 HydrophobicContact CB-CE1 3.56Å; F17-Y227 AromaticContact CD2-CD1 3.58Å; F17-Y227 HydrophobicContact CD2-CD1 3.58Å; F17-Y227 AromaticContact CD2-CD2 3.6Å; F17-Y227 HydrophobicContact CD2-CD2 3.6Å; F17-Y227 AromaticContact CD2-CE1 3.94Å; F17-Y227 HydrophobicContact CD2-CE1 3.94Å; F17-Y227 AromaticContact CD2-CE2 3.95Å; F17-Y227 HydrophobicContact CD2-CE2 3.95Å; F17-Y227 AromaticContact CD2-CG 3.42Å; F17-Y227 HydrophobicContact CD2-CG 3.42Å; F17-Y227 VanDerWaalsContact CD2-CG 3.42Å; F17-Y227 HydrophobicContact CE2-CD1 4.44Å; F17-Y227 HydrophobicContact CE2-CD2 4.15Å; F17-Y227 AromaticContact CE2-CG 3.95Å; F17-Y227 HydrophobicContact CE2-CG 3.95Å; F17-Y227 AromaticContact CG-CD1 3.98Å; F17-Y227 HydrophobicContact CG-CD1 3.98Å; F17-Y227 HydrophobicContact CG-CE1 4.13Å; F17-Y227 HydrophobicContact CG-CG 4.28Å; L20-Y227 HydrophobicContact CD1-CE2 4.44Å; R78-Y227 WeakPolarHBondContact CD-O 3.15Å; Y220-Y227 HydrophobicContact CD1-CE2 4.47Å; Y220-Y227 AromaticContact CE1-CE2 3.92Å; Y220-Y227 HydrophobicContact CE1-CE2 3.92Å; L221-Y227 HydrophobicContact CD2-CD2 4.12Å; L221-Y227 HydrophobicContact CD2-CE2 4.08Å; H224-Y227 HydrophobicContact CB-CD2 3.44Å; H224-Y227 VanDerWaalsContact CB-CD2 3.44Å; H224-Y227 HydrophobicContact CB-CE2 3.78Å; H224-Y227 HydrophobicContact CB-CG 4.1Å; H224-Y227 AromaticContact CG-CD2 3.8Å; H224-Y227 AromaticContact CG-CE2 3.73Å; H224-Y227 AromaticContact ND1-CD2 3.84Å; H224-Y227 AromaticContact ND1-CE1 3.97Å; H224-Y227 AromaticContact ND1-CE2 3.77Å; H224-Y227 AromaticContact ND1-CG 3.96Å; H224-Y227 AromaticContact ND1-CZ 3.84Å; H224-Y227 PolarHBondContact O-N 2.88Å; H224-Y227 VanDerWaalsContact O-N 3.11Å; P225-Y227 PolarHBondContact O-N 2.97Å; P225-Y227 VanDerWaalsContact O-N 3.14Å |
| 228 | R | 87.7 | Confident | 80.3 | Confident | 153 Ų | 153 | 77.9 Ų | 77.9 | 58% | 0.577 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -60.1 | 160.3 | 176.1 | -70.7 | 179.9 | 177.9 | -171.5 | 0.9 | 111.8 | P225 I230 | P225-R228 WeakPolarHBondContact O-CB 3.5Å; P225-R228 VanDerWaalsContact O-CG 3.31Å; P225-R228 WeakPolarHBondContact O-CG 3.45Å; P225-R228 PolarHBondContact O-N 2.59Å; R228-I230 PolarHBondContact O-N 3.26Å |
| 229 | R | 84.9 | Confident | 78.9 | Confident | 53 Ų | 53 | 81 Ų | 81 | 20% | 0.2 | 40% | 0.401 | C | S | . | . | P | Polyproline II helix | trans | -58.7 | 135.3 | 179.6 | -162.9 | -175.6 | 170.8 | -87.7 | -3.7 | 110.6 | R81 F83 T232 | R81-R229 WeakPolarHBondContact O-CG 3.43Å; F83-R229 PolarHBondContact O-NE 3.46Å; F83-R229 PolarHBondContact O-NH2 2.91Å; R229-T232 PolarHBondContact NH2-OG1 2.82Å |
| 230 | I | 77.5 | Confident | 77.6 | Confident | 88 Ų | 88 | 83.6 Ų | 83.6 | 45% | 0.451 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -86.5 | 131.9 | 170.9 | -57.3 | 172.4 | 0 | 0 | 0 | 107.3 | R81 R228 T232 | R81-I230 PolarHBondContact O-N 3.29Å; R228-I230 PolarHBondContact O-N 3.26Å; I230-T232 PolarHBondContact O-N 3.24Å |
| 231 | E | 71.9 | Confident | 76.1 | Confident | 154 Ų | 154 | 85.9 Ų | 85.9 | 72% | 0.72 | 43% | 0.432 | S | S | * | . | trans | -69.5 | 107.9 | 174.2 | -63.8 | -149.7 | 138.9 | 0 | 0 | 110 | M233 | E231-M233 PolarHBondContact O-N 2.72Å; E231-M233 VanDerWaalsContact O-N 3.12Å | ||
| 232 | T | 63.4 | Low | 74 | Confident | 65 Ų | 65 | 96.4 Ų | 96.4 | 40% | 0.399 | 48% | 0.482 | S | S | . | . | trans | -69.5 | 101.1 | 169.1 | 52.1 | 0 | 0 | 0 | 0 | 108.8 | S82 R229 I230 | S82-T232 WeakPolarHBondContact O-CG2 3.08Å; R229-T232 PolarHBondContact NH2-OG1 2.82Å; I230-T232 PolarHBondContact O-N 3.24Å | ||
| 233 | M | 61.1 | Low | 72.9 | Confident | 76 Ų | 76 | 100.8 Ų | 100.8 | 37% | 0.374 | 50% | 0.503 | S | S | . | . | trans | -59.9 | 141.2 | 163.3 | -71.9 | 172.7 | 68.4 | 0 | 0 | 109.6 | E231 H237 R238 Q241 | E231-M233 PolarHBondContact O-N 2.72Å; E231-M233 VanDerWaalsContact O-N 3.12Å; M233-H237 HydrophobicContact CE-CB 4.45Å; M233-R238 HydrophobicContact CB-CG 3.85Å; M233-R238 HydrophobicContact CE-CB 4.41Å; M233-R238 HydrophobicContact CE-CG 3.7Å; M233-R238 HydrophobicContact SD-CG 4.2Å; M233-Q241 HydrophobicContact CE-CG 4.43Å | ||
| 234 | S | 61.3 | Low | 71.8 | Confident | 40 Ų | 40 | 102.1 Ų | 102.1 | 28% | 0.28 | 51% | 0.511 | S | S | . | . | trans | -70.2 | 154.1 | 171.5 | 80.5 | 0 | 0 | 0 | 0 | 110.2 | E236 H237 R238 | S234-E236 PolarHBondContact O-N 3.29Å; S234-H237 PolarHBondContact O-N 2.83Å; S234-H237 VanDerWaalsContact O-N 3.12Å; S234-H237 PolarHBondContact OG-N 2.91Å; S234-H237 VanDerWaalsContact OG-N 3.17Å; S234-H237 PolarHBondContact OG-ND1 2.93Å; S234-R238 PolarHBondContact O-N 3.08Å | ||
| 235 | P | 61.8 | Low | 70.7 | Confident | 109 Ų | 109 | 105.6 Ų | 105.6 | 71% | 0.708 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -53.9 | -40.1 | 173.9 | -25.5 | 34.4 | 0 | 0 | 0 | 112.5 | H237 R238 A239 | P235-H237 PolarHBondContact O-N 3.32Å; P235-R238 PolarHBondContact O-N 3.14Å; P235-A239 WeakPolarHBondContact O-CB 3.32Å; P235-A239 PolarHBondContact O-N 2.88Å |
| 236 | E | 61.9 | Low | 69.6 | Low | 151 Ų | 151 | 107 Ų | 107 | 71% | 0.706 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.6 | -42.4 | 176.3 | -65.7 | 167.3 | 167.9 | 0 | 0 | 112.4 | S234 R238 A239 L240 | S234-E236 PolarHBondContact O-N 3.29Å; E236-R238 VanDerWaalsContact C-N 3.35Å; E236-A239 PolarHBondContact O-N 2.93Å; E236-L240 VanDerWaalsContact O-CG 3.32Å; E236-L240 WeakPolarHBondContact O-CG 3.48Å; E236-L240 PolarHBondContact O-N 3.26Å |
| 237 | H | 57.8 | Low | 68.4 | Low | 117 Ų | 117 | 108.3 Ų | 108.3 | 54% | 0.542 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -72.2 | -27.2 | 176.6 | -74 | 92.8 | 0 | 0 | 0 | 113.1 | M233 S234 P235 | M233-H237 HydrophobicContact CE-CB 4.45Å; S234-H237 PolarHBondContact O-N 2.83Å; S234-H237 VanDerWaalsContact O-N 3.12Å; S234-H237 PolarHBondContact OG-N 2.91Å; S234-H237 VanDerWaalsContact OG-N 3.17Å; S234-H237 PolarHBondContact OG-ND1 2.93Å; P235-H237 PolarHBondContact O-N 3.32Å |
| 238 | R | 59.9 | Low | 67 | Low | 143 Ų | 143 | 115.3 Ų | 115.3 | 54% | 0.54 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -70.2 | -44.3 | 171.7 | -73.8 | -176.7 | 175 | -175.6 | -2.8 | 111 | M233 S234 P235 E236 L240 Q241 E242 | M233-R238 HydrophobicContact CB-CG 3.85Å; M233-R238 HydrophobicContact CE-CB 4.41Å; M233-R238 HydrophobicContact CE-CG 3.7Å; M233-R238 HydrophobicContact SD-CG 4.2Å; S234-R238 PolarHBondContact O-N 3.08Å; P235-R238 PolarHBondContact O-N 3.14Å; E236-R238 VanDerWaalsContact C-N 3.35Å; R238-L240 PolarHBondContact O-N 3.41Å; R238-Q241 PolarHBondContact O-N 3.49Å; R238-E242 PolarHBondContact O-N 3.35Å |
| 239 | A | 68.5 | Low | 65.6 | Low | 64 Ų | 64 | 112.6 Ų | 112.6 | 53% | 0.529 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.9 | -20.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | P235 E236 | P235-A239 WeakPolarHBondContact O-CB 3.32Å; P235-A239 PolarHBondContact O-N 2.88Å; E236-A239 PolarHBondContact O-N 2.93Å |
| 240 | L | 69.9 | Low | 64.1 | Low | 142 Ų | 142 | 117.2 Ų | 117.2 | 74% | 0.743 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | -7.9 | 173.2 | -69.5 | 171.3 | 0 | 0 | 0 | 113.7 | E236 R238 | E236-L240 VanDerWaalsContact O-CG 3.32Å; E236-L240 WeakPolarHBondContact O-CG 3.48Å; E236-L240 PolarHBondContact O-N 3.26Å; R238-L240 PolarHBondContact O-N 3.41Å |
| 241 | Q | 64.7 | Low | 63 | Low | 152 Ų | 152 | 119.6 Ų | 119.6 | 71% | 0.71 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109 | -9.8 | 178.5 | -71.7 | -173.5 | -9.7 | 0 | 0 | 113.4 | M233 R238 | M233-Q241 HydrophobicContact CE-CG 4.43Å; R238-Q241 PolarHBondContact O-N 3.49Å |
| 242 | E | 53.3 | Low | 62.1 | Low | 222 Ų | 222 | 116.5 Ų | 116.5 | 100% | 1.037 | 60% | 0.597 | S | S | * | * | trans | -94.2 | 0 | 169.7 | -69.4 | 176.5 | 179.6 | 0 | 0 | 110.2 | R238 | R238-E242 PolarHBondContact O-N 3.35Š|
Retrieved 242 of 242 residues in 217.9 ms
(Link to these results)