| 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 | 45.5 | Very low | 45.9 | Very low | 240 Ų | 240 | 151.7 Ų | 151.7 | 100% | 1.182 | 78% | 0.779 | S | S | * | * | 0 | 87 | 0 | -80.7 | 175.8 | 160.3 | 0 | 0 | 109.4 | |||||
| 2 | N | 42.3 | Very low | 46.4 | Very low | 152 Ų | 152 | 149.7 Ų | 149.7 | 81% | 0.813 | 77% | 0.768 | S | S | * | * | trans | -102.9 | 98.6 | 176.2 | -81.6 | -6.6 | 0 | 0 | 0 | 109 | F4 | N2-F4 PolarHBondContact O-N 3.19Å; N2-F4 VanDerWaalsContact O-N 3.08Å | ||
| 3 | R | 43.6 | Very low | 47.1 | Very low | 233 Ų | 233 | 143.7 Ų | 143.7 | 88% | 0.879 | 75% | 0.745 | S | S | * | * | trans | -68.3 | 99.7 | 171.1 | -77.8 | -174.8 | -173.5 | -177.4 | 3.3 | 108.7 | I5 | R3-I5 PolarHBondContact O-N 3.31Å; R3-I5 VanDerWaalsContact O-N 3.09Å | ||
| 4 | F | 50.8 | Low | 47.5 | Very low | 186 Ų | 186 | 142.2 Ų | 142.2 | 82% | 0.816 | 74% | 0.738 | S | S | * | * | trans | -70.2 | 95.5 | 161.3 | -95.5 | -91.5 | 0 | 0 | 0 | 108.3 | N2 T6 | N2-F4 PolarHBondContact O-N 3.19Å; N2-F4 VanDerWaalsContact O-N 3.08Å; F4-T6 PolarHBondContact O-N 3.37Å | ||
| 5 | I | 50.4 | Low | 47.6 | Very low | 149 Ų | 149 | 140.3 Ų | 140.3 | 76% | 0.764 | 73% | 0.728 | S | S | * | * | trans | -78.2 | 97.2 | 165.4 | -60.2 | 170.1 | 0 | 0 | 0 | 105.8 | R3 P7 | R3-I5 PolarHBondContact O-N 3.31Å; R3-I5 VanDerWaalsContact O-N 3.09Å; I5-P7 WeakPolarHBondContact O-CD 3.43Å | ||
| 6 | T | 41.4 | Very low | 48.1 | Very low | 106 Ų | 106 | 139.4 Ų | 139.4 | 65% | 0.65 | 72% | 0.719 | S | S | * | * | trans | -77.2 | 117.2 | 167.2 | 44.7 | 0 | 0 | 0 | 0 | 108.7 | F4 T8 | F4-T6 PolarHBondContact O-N 3.37Å; T6-T8 PolarHBondContact O-N 3.06Å; T6-T8 VanDerWaalsContact O-N 3.1Å | ||
| 7 | P | 45.4 | Very low | 48.8 | Very low | 96 Ų | 96 | 139.5 Ų | 139.5 | 62% | 0.623 | 71% | 0.713 | S | S | * | * | trans | -72.9 | 105.4 | 176.5 | 28.7 | -31.6 | 0 | 0 | 0 | 109.3 | I5 F9 | I5-P7 WeakPolarHBondContact O-CD 3.43Å; P7-F9 HydrophobicContact CB-CD2 4.26Å; P7-F9 HydrophobicContact CB-CE2 4.03Å; P7-F9 HydrophobicContact CG-CD2 4.5Å; P7-F9 HydrophobicContact CG-CE2 4.12Å; P7-F9 PolarHBondContact O-N 2.99Å | ||
| 8 | T | 44.4 | Very low | 49.2 | Very low | 132 Ų | 132 | 136.1 Ų | 136.1 | 81% | 0.81 | 70% | 0.696 | S | S | * | * | trans | -71.8 | 91.7 | 165 | 46.6 | 0 | 0 | 0 | 0 | 108.2 | T6 | T6-T8 PolarHBondContact O-N 3.06Å; T6-T8 VanDerWaalsContact O-N 3.1Å | ||
| 9 | F | 43.5 | Very low | 49.6 | Very low | 171 Ų | 171 | 132.2 Ų | 132.2 | 75% | 0.75 | 68% | 0.68 | S | S | * | * | trans | -65.1 | 130.4 | 169.6 | -81.6 | -87 | 0 | 0 | 0 | 109.6 | P7 V11 | P7-F9 HydrophobicContact CB-CD2 4.26Å; P7-F9 HydrophobicContact CB-CE2 4.03Å; P7-F9 HydrophobicContact CG-CD2 4.5Å; P7-F9 HydrophobicContact CG-CE2 4.12Å; P7-F9 PolarHBondContact O-N 2.99Å; F9-V11 PolarHBondContact O-N 3.35Å | ||
| 10 | P | 45.2 | Very low | 50.1 | Low | 95 Ų | 95 | 130.7 Ų | 130.7 | 62% | 0.617 | 68% | 0.676 | S | S | * | * | trans | -77.9 | 97 | -177.5 | 31.8 | -33.3 | 0 | 0 | 0 | 109.3 | I12 P13 | P10-I12 PolarHBondContact O-N 2.88Å; P10-P13 HydrophobicContact CB-CG 3.98Å; P10-P13 HydrophobicContact CG-CG 4.29Å; P10-P13 WeakPolarHBondContact O-CD 3.27Å | ||
| 11 | V | 53 | Low | 50.7 | Low | 109 Ų | 109 | 130.6 Ų | 130.6 | 66% | 0.661 | 67% | 0.671 | S | S | * | * | trans | -72.5 | -21.2 | 176.3 | -179 | 0 | 0 | 0 | 0 | 111.8 | F9 | F9-V11 PolarHBondContact O-N 3.35Š| ||
| 12 | I | 51.4 | Low | 51.5 | Low | 127 Ų | 127 | 121.6 Ų | 121.6 | 65% | 0.651 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -66.4 | -47.8 | -173.8 | -56 | 174.1 | 0 | 0 | 0 | 114 | P10 L14 L15 Q16 | P10-I12 PolarHBondContact O-N 2.88Å; I12-L14 VanDerWaalsContact C-N 3.32Å; I12-L14 PolarHBondContact O-N 3.34Å; I12-L15 PolarHBondContact O-N 3.03Å; I12-Q16 PolarHBondContact O-N 3.46Å; I12-Q16 VanDerWaalsContact O-N 3.14Å |
| 13 | P | 55.3 | Low | 52.3 | Low | 72 Ų | 72 | 120.8 Ų | 120.8 | 47% | 0.468 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -65.7 | -31.6 | -177.5 | 21.8 | -33.1 | 0 | 0 | 0 | 113.6 | P10 F17 | P10-P13 HydrophobicContact CB-CG 3.98Å; P10-P13 HydrophobicContact CG-CG 4.29Å; P10-P13 WeakPolarHBondContact O-CD 3.27Å; P13-F17 VanDerWaalsContact O-CB 3.3Å; P13-F17 WeakPolarHBondContact O-CB 3.36Å; P13-F17 PolarHBondContact O-N 2.89Å |
| 14 | L | 53.4 | Low | 52.9 | Low | 123 Ų | 123 | 113 Ų | 113 | 64% | 0.644 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -67.6 | -41.4 | 178.3 | -158.5 | 85.8 | 0 | 0 | 0 | 111 | I12 F17 I18 | I12-L14 VanDerWaalsContact C-N 3.32Å; I12-L14 PolarHBondContact O-N 3.34Å; L14-F17 PolarHBondContact O-N 3.33Å; L14-I18 HydrophobicContact CD2-CD1 4.17Å; L14-I18 HydrophobicContact CG-CD1 4.07Å; L14-I18 WeakPolarHBondContact O-CB 3.28Å; L14-I18 WeakPolarHBondContact O-CD1 3.48Å; L14-I18 WeakPolarHBondContact O-CG1 3.43Å; L14-I18 PolarHBondContact O-N 3.28Å |
| 15 | L | 48.8 | Very low | 53.4 | Low | 113 Ų | 113 | 106.4 Ų | 106.4 | 59% | 0.592 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -66.5 | -43.9 | 178.9 | -143.9 | 89.5 | 0 | 0 | 0 | 111 | I12 I18 T19 | I12-L15 PolarHBondContact O-N 3.03Å; L15-I18 PolarHBondContact O-N 3.45Å; L15-T19 WeakPolarHBondContact O-CG2 3.39Å; L15-T19 PolarHBondContact O-N 2.97Å; L15-T19 PolarHBondContact O-OG1 2.87Å |
| 16 | Q | 55.5 | Low | 53.8 | Low | 126 Ų | 126 | 100.5 Ų | 100.5 | 59% | 0.589 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -61.4 | -47 | 174.8 | -90.9 | -176.4 | -35.6 | 0 | 0 | 111.9 | I12 I18 T19 V20 | I12-Q16 PolarHBondContact O-N 3.46Å; I12-Q16 VanDerWaalsContact O-N 3.14Å; Q16-I18 VanDerWaalsContact C-N 3.33Å; Q16-I18 PolarHBondContact O-N 3.27Å; Q16-T19 WeakPolarHBondContact CA-OG1 3.26Å; Q16-T19 PolarHBondContact O-N 3.06Å; Q16-T19 VanDerWaalsContact O-N 3.16Å; Q16-T19 PolarHBondContact O-OG1 2.87Å; Q16-V20 WeakPolarHBondContact O-CG2 3.48Å; Q16-V20 PolarHBondContact O-N 3.02Å |
| 17 | F | 59.1 | Low | 54.5 | Low | 141 Ų | 141 | 98.8 Ų | 98.8 | 62% | 0.618 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.3 | -42.3 | 179 | -165.7 | -94.4 | 0 | 0 | 0 | 112 | P13 L14 K21 | P13-F17 VanDerWaalsContact O-CB 3.3Å; P13-F17 WeakPolarHBondContact O-CB 3.36Å; P13-F17 PolarHBondContact O-N 2.89Å; L14-F17 PolarHBondContact O-N 3.33Å; F17-K21 HydrophobicContact CE1-CD 4.47Å; F17-K21 VanDerWaalsContact O-CB 3.25Å; F17-K21 WeakPolarHBondContact O-CB 3.4Å; F17-K21 PolarHBondContact O-N 2.87Å |
| 18 | I | 57.1 | Low | 55.1 | Low | 79 Ų | 79 | 98.1 Ų | 98.1 | 41% | 0.405 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.2 | -49.4 | 174 | -68.4 | 165 | 0 | 0 | 0 | 109.6 | L14 L15 Q16 V20 L22 | L14-I18 HydrophobicContact CD2-CD1 4.17Å; L14-I18 HydrophobicContact CG-CD1 4.07Å; L14-I18 WeakPolarHBondContact O-CB 3.28Å; L14-I18 WeakPolarHBondContact O-CD1 3.48Å; L14-I18 WeakPolarHBondContact O-CG1 3.43Å; L14-I18 PolarHBondContact O-N 3.28Å; L15-I18 PolarHBondContact O-N 3.45Å; Q16-I18 VanDerWaalsContact C-N 3.33Å; Q16-I18 PolarHBondContact O-N 3.27Å; I18-V20 PolarHBondContact O-N 3.39Å; I18-L22 WeakPolarHBondContact O-CB 3.36Å; I18-L22 PolarHBondContact O-N 2.94Å |
| 19 | T | 57.2 | Low | 55.5 | Low | 62 Ų | 62 | 94.3 Ų | 94.3 | 38% | 0.38 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.6 | -41.5 | -178.5 | 54.8 | 0 | 0 | 0 | 0 | 113.6 | L15 Q16 L22 Y23 | L15-T19 WeakPolarHBondContact O-CG2 3.39Å; L15-T19 PolarHBondContact O-N 2.97Å; L15-T19 PolarHBondContact O-OG1 2.87Å; Q16-T19 WeakPolarHBondContact CA-OG1 3.26Å; Q16-T19 PolarHBondContact O-N 3.06Å; Q16-T19 VanDerWaalsContact O-N 3.16Å; Q16-T19 PolarHBondContact O-OG1 2.87Å; T19-L22 PolarHBondContact O-N 3.34Å; T19-Y23 VanDerWaalsContact O-CB 3.26Å; T19-Y23 WeakPolarHBondContact O-CB 3.34Å; T19-Y23 PolarHBondContact O-N 3.43Å |
| 20 | V | 58.3 | Low | 55.8 | Low | 101 Ų | 101 | 93.6 Ų | 93.6 | 61% | 0.612 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -70.2 | -44.7 | 179.7 | 174 | 0 | 0 | 0 | 0 | 111 | Q16 I18 L22 Y23 S24 | Q16-V20 WeakPolarHBondContact O-CG2 3.48Å; Q16-V20 PolarHBondContact O-N 3.02Å; I18-V20 PolarHBondContact O-N 3.39Å; V20-L22 VanDerWaalsContact C-N 3.34Å; V20-Y23 PolarHBondContact O-N 2.94Å; V20-S24 WeakPolarHBondContact O-CB 3.18Å; V20-S24 PolarHBondContact O-N 3.01Å |
| 21 | K | 63.7 | Low | 55.8 | Low | 129 Ų | 129 | 95.6 Ų | 95.6 | 56% | 0.561 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64.1 | -43.3 | 175.9 | -157.1 | 89.2 | 179.3 | -172.2 | 0 | 110 | F17 Y23 S24 T25 | F17-K21 HydrophobicContact CE1-CD 4.47Å; F17-K21 VanDerWaalsContact O-CB 3.25Å; F17-K21 WeakPolarHBondContact O-CB 3.4Å; F17-K21 PolarHBondContact O-N 2.87Å; K21-Y23 VanDerWaalsContact C-N 3.34Å; K21-Y23 PolarHBondContact O-N 3.08Å; K21-S24 PolarHBondContact O-N 2.81Å; K21-T25 WeakPolarHBondContact O-CB 3.34Å; K21-T25 PolarHBondContact O-N 3.39Å; K21-T25 PolarHBondContact O-OG1 3.38Å |
| 22 | L | 61.6 | Low | 55.7 | Low | 51 Ų | 51 | 93.6 Ų | 93.6 | 27% | 0.267 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62 | -41 | 176.5 | -157.9 | 86.1 | 0 | 0 | 0 | 111.2 | I18 T19 V20 T25 L26 V220 | I18-L22 WeakPolarHBondContact O-CB 3.36Å; I18-L22 PolarHBondContact O-N 2.94Å; T19-L22 PolarHBondContact O-N 3.34Å; V20-L22 VanDerWaalsContact C-N 3.34Å; L22-T25 PolarHBondContact O-N 3.48Å; L22-L26 HydrophobicContact CD2-CD1 4.26Å; L22-L26 HydrophobicContact CG-CD1 4.23Å; L22-L26 VanDerWaalsContact O-CB 3.27Å; L22-L26 WeakPolarHBondContact O-CB 3.27Å; L22-L26 WeakPolarHBondContact O-CD1 3.41Å; L22-L26 WeakPolarHBondContact O-CG 3.44Å; L22-L26 PolarHBondContact O-N 3.02Å; L22-V220 HydrophobicContact CD1-CG1 4.11Å; L22-V220 HydrophobicContact CD2-CB 4.38Å; L22-V220 HydrophobicContact CD2-CG1 3.95Å |
| 23 | Y | 59.8 | Low | 55.4 | Low | 135 Ų | 135 | 89.9 Ų | 89.9 | 53% | 0.529 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -66 | -44.8 | 176.1 | -173.4 | -101.3 | 0 | 0 | 0 | 112.2 | T19 V20 K21 T25 L26 L27 | T19-Y23 VanDerWaalsContact O-CB 3.26Å; T19-Y23 WeakPolarHBondContact O-CB 3.34Å; T19-Y23 PolarHBondContact O-N 3.43Å; V20-Y23 PolarHBondContact O-N 2.94Å; K21-Y23 VanDerWaalsContact C-N 3.34Å; K21-Y23 PolarHBondContact O-N 3.08Å; Y23-T25 VanDerWaalsContact C-N 3.32Å; Y23-T25 PolarHBondContact O-N 3.09Å; Y23-L26 CarbonylContact O-C 3.43Å; Y23-L26 PolarHBondContact O-N 3.4Å; Y23-L27 HydrophobicContact CD1-CD1 3.66Å; Y23-L27 HydrophobicContact CE1-CD1 3.21Å; Y23-L27 HydrophobicContact CE1-CG 4.31Å; Y23-L27 PolarHBondContact O-N 3.25Å |
| 24 | S | 56.1 | Low | 54.9 | Low | 70 Ų | 70 | 92.7 Ų | 92.7 | 49% | 0.49 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -58.4 | -45.6 | 173.2 | -179.2 | 0 | 0 | 0 | 0 | 110.9 | V20 K21 L27 T28 | V20-S24 WeakPolarHBondContact O-CB 3.18Å; V20-S24 PolarHBondContact O-N 3.01Å; K21-S24 PolarHBondContact O-N 2.81Å; S24-L27 WeakPolarHBondContact O-CB 3.46Å; S24-L27 PolarHBondContact O-N 3.33Å; S24-T28 PolarHBondContact O-N 3.22Å; S24-T28 PolarHBondContact O-OG1 3.49Å |
| 25 | T | 60.7 | Low | 54.4 | Low | 47 Ų | 47 | 92.7 Ų | 92.7 | 29% | 0.288 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.5 | -46.4 | 175.7 | -50.1 | 0 | 0 | 0 | 0 | 109.8 | K21 L22 Y23 L27 T28 W29 L289 | K21-T25 WeakPolarHBondContact O-CB 3.34Å; K21-T25 PolarHBondContact O-N 3.39Å; K21-T25 PolarHBondContact O-OG1 3.38Å; L22-T25 PolarHBondContact O-N 3.48Å; Y23-T25 VanDerWaalsContact C-N 3.32Å; Y23-T25 PolarHBondContact O-N 3.09Å; T25-L27 VanDerWaalsContact C-N 3.28Å; T25-L27 PolarHBondContact O-N 2.86Å; T25-T28 WeakPolarHBondContact CA-OG1 3.37Å; T25-T28 CarbonylContact O-C 3.58Å; T25-T28 VanDerWaalsContact O-CA 3.27Å; T25-T28 WeakPolarHBondContact O-CA 3.42Å; T25-T28 WeakPolarHBondContact O-CB 3.46Å; T25-T28 PolarHBondContact O-N 2.97Å; T25-T28 PolarHBondContact O-OG1 3.03Å; T25-T28 VanDerWaalsContact O-OG1 3.12Å; T25-W29 PolarHBondContact O-N 3Å; T25-L289 HydrophobicContact CG2-CD2 3.83Å |
| 26 | L | 59.7 | Low | 54.4 | Low | 26 Ų | 26 | 89.3 Ų | 89.3 | 14% | 0.136 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -61.1 | -31.9 | 176.9 | -76.3 | 164.9 | 0 | 0 | 0 | 113 | L22 Y23 W29 R30 V216 A217 | L22-L26 HydrophobicContact CD2-CD1 4.26Å; L22-L26 HydrophobicContact CG-CD1 4.23Å; L22-L26 VanDerWaalsContact O-CB 3.27Å; L22-L26 WeakPolarHBondContact O-CB 3.27Å; L22-L26 WeakPolarHBondContact O-CD1 3.41Å; L22-L26 WeakPolarHBondContact O-CG 3.44Å; L22-L26 PolarHBondContact O-N 3.02Å; Y23-L26 CarbonylContact O-C 3.43Å; Y23-L26 PolarHBondContact O-N 3.4Å; L26-W29 VanDerWaalsContact O-CB 3.28Å; L26-W29 WeakPolarHBondContact O-CB 3.49Å; L26-W29 PolarHBondContact O-N 2.95Å; L26-R30 PolarHBondContact O-N 3.1Å; L26-V216 HydrophobicContact CD2-CG1 3.97Å; L26-A217 HydrophobicContact CD1-CB 4.35Å |
| 27 | L | 55.9 | Low | 54 | Low | 70 Ų | 70 | 91.9 Ų | 91.9 | 37% | 0.366 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -67.9 | -39.7 | 169.2 | -99 | 151.6 | 0 | 0 | 0 | 111.4 | Y23 S24 T25 W29 R30 H31 | Y23-L27 HydrophobicContact CD1-CD1 3.66Å; Y23-L27 HydrophobicContact CE1-CD1 3.21Å; Y23-L27 HydrophobicContact CE1-CG 4.31Å; Y23-L27 PolarHBondContact O-N 3.25Å; S24-L27 WeakPolarHBondContact O-CB 3.46Å; S24-L27 PolarHBondContact O-N 3.33Å; T25-L27 VanDerWaalsContact C-N 3.28Å; T25-L27 PolarHBondContact O-N 2.86Å; L27-W29 VanDerWaalsContact C-N 3.3Å; L27-W29 PolarHBondContact O-N 2.58Å; L27-R30 WeakPolarHBondContact O-CB 3.45Å; L27-R30 PolarHBondContact O-N 2.9Å; L27-R30 VanDerWaalsContact O-N 3.12Å; L27-H31 PolarHBondContact O-N 3.12Å |
| 28 | T | 57.1 | Low | 53.4 | Low | 81 Ų | 81 | 90.7 Ų | 90.7 | 50% | 0.497 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62.3 | -39.4 | 170.7 | -17.9 | 0 | 0 | 0 | 0 | 110.8 | S24 T25 R30 H31 V32 | S24-T28 PolarHBondContact O-N 3.22Å; S24-T28 PolarHBondContact O-OG1 3.49Å; T25-T28 WeakPolarHBondContact CA-OG1 3.37Å; T25-T28 CarbonylContact O-C 3.58Å; T25-T28 VanDerWaalsContact O-CA 3.27Å; T25-T28 WeakPolarHBondContact O-CA 3.42Å; T25-T28 WeakPolarHBondContact O-CB 3.46Å; T25-T28 PolarHBondContact O-N 2.97Å; T25-T28 PolarHBondContact O-OG1 3.03Å; T25-T28 VanDerWaalsContact O-OG1 3.12Å; T28-R30 VanDerWaalsContact C-N 3.29Å; T28-R30 PolarHBondContact O-N 3.32Å; T28-H31 PolarHBondContact O-N 3.09Å; T28-H31 VanDerWaalsContact O-N 3.14Å; T28-V32 WeakPolarHBondContact O-CG2 3.46Å; T28-V32 PolarHBondContact O-N 2.67Å |
| 29 | W | 52.3 | Low | 53 | Low | 52 Ų | 52 | 93.4 Ų | 93.4 | 20% | 0.197 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -57.9 | -40.5 | 171.7 | -82.7 | 72.9 | 0 | 0 | 0 | 111.6 | T25 L26 L27 H31 V32 F33 L207 P288 L289 | T25-W29 PolarHBondContact O-N 3Å; L26-W29 VanDerWaalsContact O-CB 3.28Å; L26-W29 WeakPolarHBondContact O-CB 3.49Å; L26-W29 PolarHBondContact O-N 2.95Å; L27-W29 VanDerWaalsContact C-N 3.3Å; L27-W29 PolarHBondContact O-N 2.58Å; W29-H31 VanDerWaalsContact C-N 3.28Å; W29-H31 PolarHBondContact O-N 3.29Å; W29-V32 PolarHBondContact O-N 2.98Å; W29-F33 HydrophobicContact CD2-CE2 4.28Å; W29-F33 AromaticContact CE3-CD2 3.68Å; W29-F33 HydrophobicContact CE3-CD2 3.68Å; W29-F33 AromaticContact CE3-CE2 3.14Å; W29-F33 HydrophobicContact CE3-CE2 3.14Å; W29-F33 HydrophobicContact CE3-CZ 4.09Å; W29-F33 HydrophobicContact CZ3-CD2 4.28Å; W29-F33 AromaticContact CZ3-CE2 3.31Å; W29-F33 HydrophobicContact CZ3-CE2 3.31Å; W29-F33 AromaticContact CZ3-CZ 3.86Å; W29-F33 HydrophobicContact CZ3-CZ 3.86Å; W29-F33 WeakPolarHBondContact O-CB 3.48Å; W29-F33 WeakPolarHBondContact O-CD2 3.48Å; W29-F33 PolarHBondContact O-N 3.05Å; W29-L207 HydrophobicContact CB-CD1 4.41Å; W29-L207 HydrophobicContact CE3-CD1 4.48Å; W29-P288 HydrophobicContact CH2-CB 3.41Å; W29-P288 VanDerWaalsContact CH2-CB 3.41Å; W29-P288 HydrophobicContact CH2-CG 4.14Å; W29-P288 HydrophobicContact CZ2-CB 4.11Å; W29-P288 HydrophobicContact CZ3-CB 4.08Å; W29-L289 HydrophobicContact CZ2-CD2 3.94Å; W29-L289 HydrophobicContact CZ2-CG 3.79Å |
| 30 | R | 50.8 | Low | 53 | Low | 157 Ų | 157 | 96.3 Ų | 96.3 | 59% | 0.592 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -59.8 | -40.7 | 177.6 | -164.9 | 179.9 | 175.5 | -161.8 | -5.3 | 111.2 | L26 L27 T28 F34 | L26-R30 PolarHBondContact O-N 3.1Å; L27-R30 WeakPolarHBondContact O-CB 3.45Å; L27-R30 PolarHBondContact O-N 2.9Å; L27-R30 VanDerWaalsContact O-N 3.12Å; T28-R30 VanDerWaalsContact C-N 3.29Å; T28-R30 PolarHBondContact O-N 3.32Å; R30-F34 WeakPolarHBondContact O-CB 3.28Å; R30-F34 PolarHBondContact O-N 3.39Å |
| 31 | H | 44.9 | Very low | 53.3 | Low | 136 Ų | 136 | 96.9 Ų | 96.9 | 63% | 0.63 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -70.6 | -41.5 | 176.3 | -80.1 | -83.4 | 0 | 0 | 0 | 112.9 | L27 T28 W29 F33 F34 Q35 | L27-H31 PolarHBondContact O-N 3.12Å; T28-H31 PolarHBondContact O-N 3.09Å; T28-H31 VanDerWaalsContact O-N 3.14Å; W29-H31 VanDerWaalsContact C-N 3.28Å; W29-H31 PolarHBondContact O-N 3.29Å; H31-F33 PolarHBondContact O-N 3.45Å; H31-F34 PolarHBondContact O-N 2.89Å; H31-Q35 PolarHBondContact O-N 3.29Å; H31-Q35 VanDerWaalsContact O-N 3.12Å |
| 32 | V | 50 | Low | 53.9 | Low | 68 Ų | 68 | 96.7 Ų | 96.7 | 41% | 0.412 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.8 | -39.5 | 176.2 | 178.1 | 0 | 0 | 0 | 0 | 111.4 | T28 W29 L36 M292 | T28-V32 WeakPolarHBondContact O-CG2 3.46Å; T28-V32 PolarHBondContact O-N 2.67Å; W29-V32 PolarHBondContact O-N 2.98Å; V32-L36 PolarHBondContact O-N 3.06Å; V32-M292 HydrophobicContact CG1-CE 3.6Å; V32-M292 HydrophobicContact CG1-CG 4.18Å |
| 33 | F | 46.9 | Very low | 55 | Low | 49 Ų | 49 | 95.4 Ų | 95.4 | 22% | 0.215 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -77.1 | -27.4 | 175.4 | -88 | -93.7 | 0 | 0 | 0 | 114 | W29 H31 Q35 L36 L207 M292 | W29-F33 HydrophobicContact CD2-CE2 4.28Å; W29-F33 AromaticContact CE3-CD2 3.68Å; W29-F33 HydrophobicContact CE3-CD2 3.68Å; W29-F33 AromaticContact CE3-CE2 3.14Å; W29-F33 HydrophobicContact CE3-CE2 3.14Å; W29-F33 HydrophobicContact CE3-CZ 4.09Å; W29-F33 HydrophobicContact CZ3-CD2 4.28Å; W29-F33 AromaticContact CZ3-CE2 3.31Å; W29-F33 HydrophobicContact CZ3-CE2 3.31Å; W29-F33 AromaticContact CZ3-CZ 3.86Å; W29-F33 HydrophobicContact CZ3-CZ 3.86Å; W29-F33 WeakPolarHBondContact O-CB 3.48Å; W29-F33 WeakPolarHBondContact O-CD2 3.48Å; W29-F33 PolarHBondContact O-N 3.05Å; H31-F33 PolarHBondContact O-N 3.45Å; F33-Q35 VanDerWaalsContact C-N 3.32Å; F33-L36 HydrophobicContact CD1-CD1 3.75Å; F33-L36 HydrophobicContact CD2-CD1 4.45Å; F33-L36 HydrophobicContact CE1-CD1 3.96Å; F33-L36 HydrophobicContact CG-CD1 4.03Å; F33-L36 HydrophobicContact CZ-CD1 4.39Å; F33-L36 WeakPolarHBondContact O-CB 3.45Å; F33-L36 PolarHBondContact O-N 3.39Å; F33-L207 HydrophobicContact CB-CD1 3.92Å; F33-L207 HydrophobicContact CD1-CD1 4.35Å; F33-L207 HydrophobicContact CD2-CD1 3.72Å; F33-L207 HydrophobicContact CE2-CD1 4.37Å; F33-L207 HydrophobicContact CG-CD1 3.72Å; F33-L207 HydrophobicContact CG-CG 4.37Å; F33-M292 HydrophobicContact CD2-CE 3.94Å; F33-M292 HydrophobicContact CE2-CE 3.33Å; F33-M292 HydrophobicContact CZ-CE 3.77Å |
| 34 | F | 44.7 | Very low | 56.4 | Low | 130 Ų | 130 | 91 Ų | 91 | 57% | 0.57 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -68.1 | -37.2 | 173.4 | -163 | -97.3 | 0 | 0 | 0 | 110.9 | R30 H31 L36 R37 | R30-F34 WeakPolarHBondContact O-CB 3.28Å; R30-F34 PolarHBondContact O-N 3.39Å; H31-F34 PolarHBondContact O-N 2.89Å; F34-L36 PolarHBondContact O-N 3.05Å; F34-R37 WeakPolarHBondContact O-CB 3.21Å; F34-R37 PolarHBondContact O-N 3.1Å; F34-R37 VanDerWaalsContact O-N 3.07Å |
| 35 | Q | 43 | Very low | 58 | Low | 123 Ų | 123 | 92.2 Ų | 92.2 | 58% | 0.575 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -60 | -32.2 | 170.7 | -77.9 | -73.6 | -0.2 | 0 | 0 | 112.7 | H31 F33 R37 I38 | H31-Q35 PolarHBondContact O-N 3.29Å; H31-Q35 VanDerWaalsContact O-N 3.12Å; F33-Q35 VanDerWaalsContact C-N 3.32Å; Q35-R37 PolarHBondContact O-N 3.24Å; Q35-I38 PolarHBondContact O-N 3.39Å |
| 36 | L | 48.3 | Very low | 59.6 | Low | 42 Ų | 42 | 97.3 Ų | 97.3 | 22% | 0.22 | 48% | 0.48 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -17.4 | 175 | -81.7 | 155.7 | 0 | 0 | 0 | 114 | V32 F33 F34 I38 Y200 M292 | V32-L36 PolarHBondContact O-N 3.06Å; F33-L36 HydrophobicContact CD1-CD1 3.75Å; F33-L36 HydrophobicContact CD2-CD1 4.45Å; F33-L36 HydrophobicContact CE1-CD1 3.96Å; F33-L36 HydrophobicContact CG-CD1 4.03Å; F33-L36 HydrophobicContact CZ-CD1 4.39Å; F33-L36 WeakPolarHBondContact O-CB 3.45Å; F33-L36 PolarHBondContact O-N 3.39Å; F34-L36 PolarHBondContact O-N 3.05Å; L36-I38 PolarHBondContact O-N 3.48Å; L36-Y200 HydrophobicContact CD2-CE1 3.82Å; L36-Y200 HydrophobicContact CD2-CE2 4.22Å; L36-Y200 WeakPolarHBondContact CD2-OH 3.12Å; L36-M292 HydrophobicContact CD1-CE 3.92Å; L36-M292 HydrophobicContact CD1-CG 4.13Å; L36-M292 HydrophobicContact CD1-SD 3.81Å |
| 37 | R | 47.2 | Very low | 61.1 | Low | 181 Ų | 181 | 97.8 Ų | 97.8 | 68% | 0.683 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -15.6 | 178.1 | -141.4 | -178.7 | -150.3 | -166 | 4.3 | 113.2 | F34 Q35 | F34-R37 WeakPolarHBondContact O-CB 3.21Å; F34-R37 PolarHBondContact O-N 3.1Å; F34-R37 VanDerWaalsContact O-N 3.07Å; Q35-R37 PolarHBondContact O-N 3.24Å |
| 38 | I | 47 | Very low | 62.9 | Low | 115 Ų | 115 | 97.9 Ų | 97.9 | 59% | 0.59 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.8 | -23 | -169.1 | -60.8 | 179.7 | 0 | 0 | 0 | 113 | Q35 L36 T40 | Q35-I38 PolarHBondContact O-N 3.39Å; L36-I38 PolarHBondContact O-N 3.48Å; I38-T40 PolarHBondContact O-N 2.98Å |
| 39 | F | 47.5 | Very low | 64.7 | Low | 137 Ų | 137 | 99 Ų | 99 | 60% | 0.601 | 48% | 0.482 | S | S | * | . | trans | -92.2 | 94.6 | 176.9 | -78.6 | -85.3 | 0 | 0 | 0 | 111.3 | F41 | F39-F41 HydrophobicContact CB-CD2 4.42Å; F39-F41 PolarHBondContact O-N 3.4Å | ||
| 40 | T | 56.6 | Low | 66.8 | Low | 123 Ų | 123 | 99.8 Ų | 99.8 | 76% | 0.755 | 49% | 0.493 | S | S | * | . | trans | -66.3 | 70 | 161.2 | 49.2 | 0 | 0 | 0 | 0 | 109.6 | I38 T42 | I38-T40 PolarHBondContact O-N 2.98Å; T40-T42 PolarHBondContact O-N 3.16Å | ||
| 41 | F | 65.7 | Low | 68.9 | Low | 113 Ų | 113 | 92.3 Ų | 92.3 | 50% | 0.496 | 47% | 0.465 | S | S | . | . | trans | -73.1 | 110.7 | 178.1 | -132.6 | -77.8 | 0 | 0 | 0 | 108.4 | F39 | F39-F41 HydrophobicContact CB-CD2 4.42Å; F39-F41 PolarHBondContact O-N 3.4Å | ||
| 42 | T | 76.3 | Confident | 71.3 | Confident | 125 Ų | 125 | 85.8 Ų | 85.8 | 77% | 0.767 | 44% | 0.435 | S | S | * | . | P | Polyproline II helix | trans | -68.6 | 128.3 | 166.1 | 48.8 | 0 | 0 | 0 | 0 | 107.9 | T40 | T40-T42 PolarHBondContact O-N 3.16Š|
| 43 | V | 83.5 | Confident | 73.5 | Confident | 23 Ų | 23 | 84.6 Ų | 84.6 | 14% | 0.139 | 43% | 0.429 | C | S | . | . | P | Polyproline II helix | trans | -82.5 | 126.6 | 177 | 179.2 | 0 | 0 | 0 | 0 | 107.4 | D47 K48 R199 | V43-D47 HydrophobicContact CG1-CB 3.72Å; V43-K48 HydrophobicContact CG1-CB 4.22Å; V43-R199 HydrophobicContact CG2-CB 4.33Å; V43-R199 HydrophobicContact CG2-CG 4.26Å |
| 44 | S | 90.3 | Very high | 75.9 | Confident | 43 Ų | 43 | 84.8 Ų | 84.8 | 30% | 0.301 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 150 | 180 | 86 | 0 | 0 | 0 | 0 | 110.1 | Q46 D47 K48 | S44-Q46 PolarHBondContact O-N 3.38Å; S44-D47 PolarHBondContact O-N 3.32Å; S44-D47 WeakPolarHBondContact OG-CB 3.04Å; S44-D47 PolarHBondContact OG-N 3.42Å; S44-D47 PolarHBondContact OG-OD1 2.95Å; S44-K48 PolarHBondContact O-N 3.26Å |
| 45 | P | 90.4 | Very high | 78.3 | Confident | 96 Ų | 96 | 78.6 Ų | 78.6 | 62% | 0.623 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -58.9 | -29.9 | 176.6 | -26.4 | 35.2 | 0 | 0 | 0 | 113.9 | K48 L49 | P45-K48 WeakPolarHBondContact O-CG 3.34Å; P45-L49 PolarHBondContact O-N 3.31Å |
| 46 | Q | 93.3 | Very high | 80.8 | Confident | 153 Ų | 153 | 75 Ų | 75 | 72% | 0.715 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -72.7 | -44.5 | 176.3 | -66.7 | 177 | -8.4 | 0 | 0 | 110.8 | S44 K48 L49 V50 | S44-Q46 PolarHBondContact O-N 3.38Å; Q46-K48 VanDerWaalsContact C-N 3.33Å; Q46-K48 PolarHBondContact O-N 3.12Å; Q46-L49 PolarHBondContact O-N 2.98Å; Q46-L49 VanDerWaalsContact O-N 3.13Å; Q46-V50 WeakPolarHBondContact O-CG2 3.4Å; Q46-V50 PolarHBondContact O-N 3.17Å |
| 47 | D | 92.3 | Very high | 83 | Confident | 36 Ų | 36 | 79 Ų | 79 | 19% | 0.193 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -57.9 | -45.1 | 179.7 | -72 | 9.6 | 0 | 0 | 0 | 111.5 | V43 S44 L49 V50 G51 Y201 R294 W295 | V43-D47 HydrophobicContact CG1-CB 3.72Å; S44-D47 PolarHBondContact O-N 3.32Å; S44-D47 WeakPolarHBondContact OG-CB 3.04Å; S44-D47 PolarHBondContact OG-N 3.42Å; S44-D47 PolarHBondContact OG-OD1 2.95Å; D47-L49 VanDerWaalsContact C-N 3.32Å; D47-L49 PolarHBondContact O-N 3.1Å; D47-V50 PolarHBondContact O-N 3.39Å; D47-G51 PolarHBondContact O-N 3.34Å; D47-Y201 VanDerWaalsContact C-OH 3.23Å; D47-Y201 PolarHBondContact O-OH 3.39Å; D47-R294 IonicContact OD2-CZ 3.03Å; D47-R294 IonicContact OD2-NH1 3.99Å; D47-R294 PolarHBondContact OD2-NH1 2.86Å; D47-W295 HydrophobicContact CB-CH2 4.34Å; D47-W295 HydrophobicContact CB-CZ2 4.31Å |
| 48 | K | 93.4 | Very high | 85.2 | Confident | 72 Ų | 72 | 70.9 Ų | 70.9 | 31% | 0.313 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64.7 | -37.5 | 179.5 | 64.5 | 175.1 | -167 | 176 | 0 | 111.9 | V43 S44 P45 Q46 G52 V113 Q116 | V43-K48 HydrophobicContact CG1-CB 4.22Å; S44-K48 PolarHBondContact O-N 3.26Å; P45-K48 WeakPolarHBondContact O-CG 3.34Å; Q46-K48 VanDerWaalsContact C-N 3.33Å; Q46-K48 PolarHBondContact O-N 3.12Å; K48-G52 PolarHBondContact O-N 3.2Å; K48-V113 WeakPolarHBondContact O-CG1 3.48Å; K48-Q116 HydrophobicContact CB-CG 4.13Å; K48-Q116 HydrophobicContact CD-CG 4.02Å |
| 49 | L | 95.2 | Very high | 87.5 | Confident | 104 Ų | 104 | 65.4 Ų | 65.4 | 55% | 0.545 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -67.6 | -46 | 179.1 | -175.8 | 67.4 | 0 | 0 | 0 | 110.3 | P45 Q46 D47 S53 F114 | P45-L49 PolarHBondContact O-N 3.31Å; Q46-L49 PolarHBondContact O-N 2.98Å; Q46-L49 VanDerWaalsContact O-N 3.13Å; D47-L49 VanDerWaalsContact C-N 3.32Å; D47-L49 PolarHBondContact O-N 3.1Å; L49-S53 VanDerWaalsContact O-CB 3.25Å; L49-S53 WeakPolarHBondContact O-CB 3.45Å; L49-S53 PolarHBondContact O-N 2.83Å; L49-S53 PolarHBondContact O-OG 2.73Å; L49-F114 HydrophobicContact CD1-CE1 3.97Å |
| 50 | V | 95.5 | Very high | 89.7 | Confident | 69 Ų | 69 | 63.6 Ų | 63.6 | 42% | 0.418 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.8 | -50.8 | 177.5 | 175.3 | 0 | 0 | 0 | 0 | 110.6 | Q46 D47 G52 S53 V54 W295 | Q46-V50 WeakPolarHBondContact O-CG2 3.4Å; Q46-V50 PolarHBondContact O-N 3.17Å; D47-V50 PolarHBondContact O-N 3.39Å; V50-G52 PolarHBondContact O-N 3.37Å; V50-S53 PolarHBondContact O-N 3.45Å; V50-V54 HydrophobicContact CG1-CG2 4.16Å; V50-V54 WeakPolarHBondContact O-CB 3.44Å; V50-V54 VanDerWaalsContact O-CG2 3.26Å; V50-V54 WeakPolarHBondContact O-CG2 3.16Å; V50-V54 PolarHBondContact O-N 3.46Å; V50-W295 HydrophobicContact CB-CH2 4.25Å; V50-W295 HydrophobicContact CB-CZ3 4.48Å; V50-W295 HydrophobicContact CG1-CH2 4.04Å; V50-W295 HydrophobicContact CG1-CZ3 3.89Å |
| 51 | G | 94.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -58.8 | -45.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | D47 L55 | D47-G51 PolarHBondContact O-N 3.34Å; G51-L55 WeakPolarHBondContact O-CG 3.43Å; G51-L55 PolarHBondContact O-N 3.34Å; G51-L55 VanDerWaalsContact O-N 3.09Å |
| 52 | G | 95.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.5 | -44.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | K48 V50 L55 L56 | K48-G52 PolarHBondContact O-N 3.2Å; V50-G52 PolarHBondContact O-N 3.37Å; G52-L55 PolarHBondContact O-N 2.95Å; G52-L56 VanDerWaalsContact O-CB 3.27Å; G52-L56 WeakPolarHBondContact O-CB 3.38Å; G52-L56 PolarHBondContact O-N 2.87Å |
| 53 | S | 96.5 | Very high | 93.5 | Very high | 42 Ų | 42 | 50.9 Ų | 50.9 | 29% | 0.294 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.9 | -41.8 | 179.4 | -57 | 0 | 0 | 0 | 0 | 112.3 | L49 V50 L56 L57 | L49-S53 VanDerWaalsContact O-CB 3.25Å; L49-S53 WeakPolarHBondContact O-CB 3.45Å; L49-S53 PolarHBondContact O-N 2.83Å; L49-S53 PolarHBondContact O-OG 2.73Å; V50-S53 PolarHBondContact O-N 3.45Å; S53-L56 WeakPolarHBondContact O-CB 3.23Å; S53-L56 PolarHBondContact O-N 3.23Å; S53-L57 WeakPolarHBondContact O-CB 3.49Å; S53-L57 VanDerWaalsContact O-CG 3.28Å; S53-L57 WeakPolarHBondContact O-CG 3.48Å; S53-L57 PolarHBondContact O-N 3.12Å |
| 54 | V | 96.1 | Very high | 93.9 | Very high | 54 Ų | 54 | 54.4 Ų | 54.4 | 33% | 0.327 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65.4 | -45.2 | 178.1 | 170 | 0 | 0 | 0 | 0 | 111.1 | V50 L56 L57 A58 L298 C302 | V50-V54 HydrophobicContact CG1-CG2 4.16Å; V50-V54 WeakPolarHBondContact O-CB 3.44Å; V50-V54 VanDerWaalsContact O-CG2 3.26Å; V50-V54 WeakPolarHBondContact O-CG2 3.16Å; V50-V54 PolarHBondContact O-N 3.46Å; V54-L56 VanDerWaalsContact C-N 3.29Å; V54-L56 PolarHBondContact O-N 3.49Å; V54-L57 PolarHBondContact O-N 2.93Å; V54-A58 WeakPolarHBondContact O-CB 3.43Å; V54-A58 PolarHBondContact O-N 3.37Å; V54-L298 HydrophobicContact CB-CD2 4.26Å; V54-L298 HydrophobicContact CG1-CD1 4.33Å; V54-L298 HydrophobicContact CG1-CD2 4.1Å; V54-L298 HydrophobicContact CG1-CG 4.27Å; V54-C302 VanDerWaalsContact CG1-SG 3.6Å |
| 55 | L | 95 | Very high | 94 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.7 | -40.7 | 175.2 | -74 | 175.3 | 0 | 0 | 0 | 111.8 | G51 G52 A58 S59 Y105 V110 V113 F196 L298 | G51-L55 WeakPolarHBondContact O-CG 3.43Å; G51-L55 PolarHBondContact O-N 3.34Å; G51-L55 VanDerWaalsContact O-N 3.09Å; G52-L55 PolarHBondContact O-N 2.95Å; L55-A58 PolarHBondContact O-N 3.48Å; L55-S59 VanDerWaalsContact O-CB 3.32Å; L55-S59 WeakPolarHBondContact O-CB 3.34Å; L55-S59 PolarHBondContact O-N 3.25Å; L55-S59 PolarHBondContact O-OG 3.09Å; L55-Y105 HydrophobicContact CD2-CD1 4.13Å; L55-Y105 HydrophobicContact CD2-CE1 4.07Å; L55-V110 HydrophobicContact CB-CG2 3.88Å; L55-V113 HydrophobicContact CD1-CG2 4.07Å; L55-F196 HydrophobicContact CD1-CZ 4.12Å; L55-L298 HydrophobicContact CD1-CD1 4.32Å; L55-L298 HydrophobicContact CD2-CD1 3.68Å; L55-L298 HydrophobicContact CG-CD1 3.64Å |
| 56 | L | 95.7 | Very high | 94.1 | Very high | 46 Ų | 46 | 49.8 Ų | 49.8 | 24% | 0.241 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.6 | -49.8 | 178.4 | -170.9 | 62.6 | 0 | 0 | 0 | 111.2 | G52 S53 V54 A58 S59 F60 V106 V110 | G52-L56 VanDerWaalsContact O-CB 3.27Å; G52-L56 WeakPolarHBondContact O-CB 3.38Å; G52-L56 PolarHBondContact O-N 2.87Å; S53-L56 WeakPolarHBondContact O-CB 3.23Å; S53-L56 PolarHBondContact O-N 3.23Å; V54-L56 VanDerWaalsContact C-N 3.29Å; V54-L56 PolarHBondContact O-N 3.49Å; L56-A58 VanDerWaalsContact C-N 3.31Å; L56-A58 PolarHBondContact O-N 3.41Å; L56-S59 PolarHBondContact O-N 3.36Å; L56-F60 HydrophobicContact CD1-CD2 3.62Å; L56-F60 HydrophobicContact CD1-CE2 3.16Å; L56-F60 HydrophobicContact CD1-CZ 3.99Å; L56-F60 HydrophobicContact CD2-CE2 3.95Å; L56-F60 HydrophobicContact CG-CD2 3.62Å; L56-F60 HydrophobicContact CG-CE2 3.38Å; L56-F60 VanDerWaalsContact O-CD2 3.31Å; L56-F60 WeakPolarHBondContact O-CD2 3.42Å; L56-F60 PolarHBondContact O-N 3.39Å; L56-V106 HydrophobicContact CD1-CG1 3.98Å; L56-V106 HydrophobicContact CD1-CG2 4.24Å; L56-V110 HydrophobicContact CB-CG1 4.34Å; L56-V110 HydrophobicContact CB-CG2 4.01Å; L56-V110 HydrophobicContact CD1-CG1 4.27Å; L56-V110 HydrophobicContact CD1-CG2 4.24Å |
| 57 | L | 95.3 | Very high | 94.1 | Very high | 126 Ų | 126 | 47 Ų | 47 | 66% | 0.66 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -62.9 | -34.1 | 177.2 | -74.6 | 171.5 | 0 | 0 | 0 | 112.8 | S53 V54 P61 | S53-L57 WeakPolarHBondContact O-CB 3.49Å; S53-L57 VanDerWaalsContact O-CG 3.28Å; S53-L57 WeakPolarHBondContact O-CG 3.48Å; S53-L57 PolarHBondContact O-N 3.12Å; V54-L57 PolarHBondContact O-N 2.93Å; L57-P61 WeakPolarHBondContact O-CD 3.11Å; L57-P61 WeakPolarHBondContact O-CG 3.22Å |
| 58 | A | 93.5 | Very high | 94 | Very high | 12 Ų | 12 | 48.5 Ų | 48.5 | 10% | 0.099 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -70.5 | -38.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | V54 L55 L56 C302 V305 I306 | V54-A58 WeakPolarHBondContact O-CB 3.43Å; V54-A58 PolarHBondContact O-N 3.37Å; L55-A58 PolarHBondContact O-N 3.48Å; L56-A58 VanDerWaalsContact C-N 3.31Å; L56-A58 PolarHBondContact O-N 3.41Å; A58-C302 HydrophobicContact CB-CB 4.29Å; A58-V305 VanDerWaalsContact C-CG1 3.41Å; A58-V305 HydrophobicContact CB-CG1 3.93Å; A58-V305 VanDerWaalsContact O-CG1 3.26Å; A58-V305 WeakPolarHBondContact O-CG1 3.36Å; A58-I306 HydrophobicContact CB-CG1 4.47Å |
| 59 | S | 95.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -80.4 | -38.3 | -171.9 | -55.3 | 0 | 0 | 0 | 0 | 113.5 | L55 L56 G62 I63 Y105 V305 | L55-S59 VanDerWaalsContact O-CB 3.32Å; L55-S59 WeakPolarHBondContact O-CB 3.34Å; L55-S59 PolarHBondContact O-N 3.25Å; L55-S59 PolarHBondContact O-OG 3.09Å; L56-S59 PolarHBondContact O-N 3.36Å; S59-G62 WeakPolarHBondContact O-CA 3.25Å; S59-G62 PolarHBondContact O-N 3.46Å; S59-G62 VanDerWaalsContact O-N 3.09Å; S59-I63 PolarHBondContact O-N 3.08Å; S59-Y105 WeakPolarHBondContact OG-CB 3.48Å; S59-V305 VanDerWaalsContact CA-CG1 3.45Å |
| 60 | F | 93.1 | Very high | 93.6 | Very high | 99 Ų | 99 | 41.3 Ų | 41.3 | 43% | 0.434 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -56.8 | -49.9 | -177.3 | -94.4 | -63.4 | 0 | 0 | 0 | 114.3 | L56 G62 I63 I64 | L56-F60 HydrophobicContact CD1-CD2 3.62Å; L56-F60 HydrophobicContact CD1-CE2 3.16Å; L56-F60 HydrophobicContact CD1-CZ 3.99Å; L56-F60 HydrophobicContact CD2-CE2 3.95Å; L56-F60 HydrophobicContact CG-CD2 3.62Å; L56-F60 HydrophobicContact CG-CE2 3.38Å; L56-F60 VanDerWaalsContact O-CD2 3.31Å; L56-F60 WeakPolarHBondContact O-CD2 3.42Å; L56-F60 PolarHBondContact O-N 3.39Å; F60-G62 PolarHBondContact O-N 3.45Å; F60-I63 PolarHBondContact O-N 3.45Å; F60-I63 VanDerWaalsContact O-N 3.14Å; F60-I64 WeakPolarHBondContact O-CG1 3.39Å; F60-I64 PolarHBondContact O-N 2.92Å |
| 61 | P | 91.9 | Very high | 93.3 | Very high | 61 Ų | 61 | 44 Ų | 44 | 40% | 0.396 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -57.9 | -37.2 | 175.9 | -25.3 | 34.8 | 0 | 0 | 0 | 112.1 | L57 I64 L65 | L57-P61 WeakPolarHBondContact O-CD 3.11Å; L57-P61 WeakPolarHBondContact O-CG 3.22Å; P61-I64 PolarHBondContact O-N 3.48Å; P61-L65 VanDerWaalsContact O-CB 3.31Å; P61-L65 WeakPolarHBondContact O-CB 3.46Å; P61-L65 WeakPolarHBondContact O-CD1 3.49Å; P61-L65 VanDerWaalsContact O-CG 3.22Å; P61-L65 WeakPolarHBondContact O-CG 3.48Å; P61-L65 PolarHBondContact O-N 3.27Å |
| 62 | G | 91.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.2 | -42.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | S59 F60 N66 L102 S309 | S59-G62 WeakPolarHBondContact O-CA 3.25Å; S59-G62 PolarHBondContact O-N 3.46Å; S59-G62 VanDerWaalsContact O-N 3.09Å; F60-G62 PolarHBondContact O-N 3.45Å; G62-N66 WeakPolarHBondContact O-CB 3.36Å; G62-N66 PolarHBondContact O-N 3.47Å; G62-N66 PolarHBondContact O-ND2 3.46Å; G62-L102 VanDerWaalsContact C-CD1 3.4Å; G62-S309 WeakPolarHBondContact CA-OG 3.31Å; G62-S309 PolarHBondContact N-OG 2.62Å |
| 63 | I | 95.1 | Very high | 92.3 | Very high | 32 Ų | 32 | 47.5 Ų | 47.5 | 16% | 0.164 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.9 | -50.1 | 177.2 | -66.6 | 175.2 | 0 | 0 | 0 | 109.5 | S59 F60 L65 N66 L67 L99 L102 V106 | S59-I63 PolarHBondContact O-N 3.08Å; F60-I63 PolarHBondContact O-N 3.45Å; F60-I63 VanDerWaalsContact O-N 3.14Å; I63-L65 PolarHBondContact O-N 3.42Å; I63-N66 PolarHBondContact O-N 3.03Å; I63-L67 HydrophobicContact CG2-CD1 3.73Å; I63-L67 HydrophobicContact CG2-CG 4.25Å; I63-L67 WeakPolarHBondContact O-CB 3.33Å; I63-L67 VanDerWaalsContact O-CG 3.26Å; I63-L67 WeakPolarHBondContact O-CG 3.42Å; I63-L67 PolarHBondContact O-N 3.48Å; I63-L99 HydrophobicContact CG2-CD2 4.26Å; I63-L102 HydrophobicContact CD1-CB 4.3Å; I63-L102 HydrophobicContact CG1-CB 3.62Å; I63-L102 HydrophobicContact CG1-CD1 4.33Å; I63-V106 HydrophobicContact CD1-CB 4.32Å; I63-V106 HydrophobicContact CD1-CG2 3.63Å |
| 64 | I | 93.3 | Very high | 91.8 | Very high | 97 Ų | 97 | 50.2 Ų | 50.2 | 50% | 0.497 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -58.7 | -48.5 | -179.9 | -64.8 | 168.2 | 0 | 0 | 0 | 110.5 | F60 P61 L67 L68 | F60-I64 WeakPolarHBondContact O-CG1 3.39Å; F60-I64 PolarHBondContact O-N 2.92Å; P61-I64 PolarHBondContact O-N 3.48Å; I64-L67 PolarHBondContact O-N 3.44Å; I64-L68 HydrophobicContact CG2-CD1 3.85Å; I64-L68 HydrophobicContact CG2-CG 4.38Å; I64-L68 WeakPolarHBondContact O-CB 3.28Å; I64-L68 VanDerWaalsContact O-CG 3.25Å; I64-L68 WeakPolarHBondContact O-CG 3.48Å; I64-L68 PolarHBondContact O-N 2.81Å |
| 65 | L | 91.3 | Very high | 91.2 | Very high | 43 Ų | 43 | 54.3 Ų | 54.3 | 23% | 0.225 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.5 | -41.6 | -178.3 | -72.9 | 168.3 | 0 | 0 | 0 | 112.6 | P61 I63 L68 C69 A312 C313 | P61-L65 VanDerWaalsContact O-CB 3.31Å; P61-L65 WeakPolarHBondContact O-CB 3.46Å; P61-L65 WeakPolarHBondContact O-CD1 3.49Å; P61-L65 VanDerWaalsContact O-CG 3.22Å; P61-L65 WeakPolarHBondContact O-CG 3.48Å; P61-L65 PolarHBondContact O-N 3.27Å; I63-L65 PolarHBondContact O-N 3.42Å; L65-L68 PolarHBondContact O-N 2.97Å; L65-C69 WeakPolarHBondContact O-CB 3.47Å; L65-C69 PolarHBondContact O-N 3.45Å; L65-A312 HydrophobicContact CB-CB 4.01Å; L65-C313 HydrophobicContact CD1-CB 4.26Å; L65-C313 HydrophobicContact CD2-CB 4.49Å |
| 66 | N | 92.3 | Very high | 90 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -68.7 | -39.9 | 176.6 | -82.5 | -77.3 | 0 | 0 | 0 | 112 | G62 I63 C69 L70 L99 S308 A312 | G62-N66 WeakPolarHBondContact O-CB 3.36Å; G62-N66 PolarHBondContact O-N 3.47Å; G62-N66 PolarHBondContact O-ND2 3.46Å; I63-N66 PolarHBondContact O-N 3.03Å; N66-C69 WeakPolarHBondContact O-CB 3.36Å; N66-C69 PolarHBondContact O-N 3.08Å; N66-L70 WeakPolarHBondContact O-CG 3.49Å; N66-L70 PolarHBondContact O-N 3.13Å; N66-L99 HydrophobicContact CB-CD1 4.3Å; N66-L99 HydrophobicContact CB-CD2 3.53Å; N66-L99 HydrophobicContact CB-CG 3.66Å; N66-S308 PolarHBondContact ND2-OG 3.37Å; N66-A312 HydrophobicContact CB-CB 4.43Å |
| 67 | L | 94 | Very high | 88.3 | Confident | 93 Ų | 93 | 62.8 Ų | 62.8 | 49% | 0.487 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.8 | -43.7 | 174 | -74 | 175.8 | 0 | 0 | 0 | 111.8 | I63 I64 L70 Y71 L99 | I63-L67 HydrophobicContact CG2-CD1 3.73Å; I63-L67 HydrophobicContact CG2-CG 4.25Å; I63-L67 WeakPolarHBondContact O-CB 3.33Å; I63-L67 VanDerWaalsContact O-CG 3.26Å; I63-L67 WeakPolarHBondContact O-CG 3.42Å; I63-L67 PolarHBondContact O-N 3.48Å; I64-L67 PolarHBondContact O-N 3.44Å; L67-L70 PolarHBondContact O-N 3.47Å; L67-Y71 WeakPolarHBondContact O-CB 3.31Å; L67-Y71 PolarHBondContact O-N 3.43Å; L67-L99 HydrophobicContact CD2-CD1 3.82Å; L67-L99 HydrophobicContact CD2-CD2 4.25Å; L67-L99 HydrophobicContact CG-CD1 4.38Å; L67-L99 HydrophobicContact CG-CD2 4.02Å |
| 68 | L | 90.8 | Very high | 86.5 | Confident | 69 Ų | 69 | 67.2 Ų | 67.2 | 36% | 0.361 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.7 | -46.5 | 174 | -74.8 | 171.7 | 0 | 0 | 0 | 110.9 | I64 L65 L70 Y71 F72 | I64-L68 HydrophobicContact CG2-CD1 3.85Å; I64-L68 HydrophobicContact CG2-CG 4.38Å; I64-L68 WeakPolarHBondContact O-CB 3.28Å; I64-L68 VanDerWaalsContact O-CG 3.25Å; I64-L68 WeakPolarHBondContact O-CG 3.48Å; I64-L68 PolarHBondContact O-N 2.81Å; L65-L68 PolarHBondContact O-N 2.97Å; L68-L70 PolarHBondContact O-N 3.39Å; L68-Y71 PolarHBondContact O-N 2.98Å; L68-F72 HydrophobicContact CD2-CE2 4.37Å; L68-F72 WeakPolarHBondContact O-CD2 3.4Å; L68-F72 PolarHBondContact O-N 3.45Å |
| 69 | C | 88.4 | Confident | 84.6 | Confident | 3 Ų | 3 | 71 Ų | 71 | 2% | 0.02 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -55.3 | -50.8 | 176.5 | -171.9 | 0 | 0 | 0 | 0 | 111.1 | L65 N66 F72 L73 A312 | L65-C69 WeakPolarHBondContact O-CB 3.47Å; L65-C69 PolarHBondContact O-N 3.45Å; N66-C69 WeakPolarHBondContact O-CB 3.36Å; N66-C69 PolarHBondContact O-N 3.08Å; C69-F72 PolarHBondContact O-N 3.21Å; C69-L73 WeakPolarHBondContact O-CB 3.49Å; C69-L73 WeakPolarHBondContact O-CG 3.41Å; C69-L73 PolarHBondContact O-N 2.91Å; C69-A312 HydrophobicContact CB-CB 4.33Å |
| 70 | L | 90.8 | Very high | 82.8 | Confident | 22 Ų | 22 | 73.6 Ų | 73.6 | 12% | 0.115 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -59 | -49.2 | 176.1 | -74.1 | -173.9 | 0 | 0 | 0 | 112.3 | N66 L67 L68 F72 L73 L74 I92 C95 L99 | N66-L70 WeakPolarHBondContact O-CG 3.49Å; N66-L70 PolarHBondContact O-N 3.13Å; L67-L70 PolarHBondContact O-N 3.47Å; L68-L70 PolarHBondContact O-N 3.39Å; L70-F72 VanDerWaalsContact C-N 3.3Å; L70-F72 PolarHBondContact O-N 3.12Å; L70-L73 PolarHBondContact O-N 3.39Å; L70-L73 VanDerWaalsContact O-N 3.13Å; L70-L74 WeakPolarHBondContact O-CB 3.35Å; L70-L74 VanDerWaalsContact O-CG 3.26Å; L70-L74 WeakPolarHBondContact O-CG 3.38Å; L70-L74 PolarHBondContact O-N 3.48Å; L70-I92 HydrophobicContact CD2-CB 4.13Å; L70-I92 HydrophobicContact CD2-CG1 4.17Å; L70-I92 HydrophobicContact CD2-CG2 3.79Å; L70-C95 HydrophobicContact CD2-CB 3.74Å; L70-C95 HydrophobicContact CG-CB 4.03Å; L70-L99 HydrophobicContact CD1-CD1 3.36Å; L70-L99 HydrophobicContact CG-CD1 4.36Å |
| 71 | Y | 89.4 | Confident | 81.2 | Confident | 124 Ų | 124 | 71.8 Ų | 71.8 | 49% | 0.486 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -53.1 | -48.2 | 177.6 | 172.1 | -99.1 | 0 | 0 | 0 | 111.5 | L67 L68 L74 K75 | L67-Y71 WeakPolarHBondContact O-CB 3.31Å; L67-Y71 PolarHBondContact O-N 3.43Å; L68-Y71 PolarHBondContact O-N 2.98Å; Y71-L74 PolarHBondContact O-N 3.33Å; Y71-K75 HydrophobicContact CE1-CD 3.9Å; Y71-K75 WeakPolarHBondContact O-CB 3.3Å; Y71-K75 PolarHBondContact O-N 3.07Å; Y71-K75 PolarHBondContact OH-NZ 2.94Å |
| 72 | F | 84.5 | Confident | 79.6 | Confident | 71 Ų | 71 | 74.5 Ų | 74.5 | 31% | 0.311 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -69.8 | -34.8 | 179.6 | -77 | -67 | 0 | 0 | 0 | 113.3 | L68 C69 L70 Y316 K319 | L68-F72 HydrophobicContact CD2-CE2 4.37Å; L68-F72 WeakPolarHBondContact O-CD2 3.4Å; L68-F72 PolarHBondContact O-N 3.45Å; C69-F72 PolarHBondContact O-N 3.21Å; L70-F72 VanDerWaalsContact C-N 3.3Å; L70-F72 PolarHBondContact O-N 3.12Å; F72-Y316 AromaticContact CD2-CD2 3.69Å; F72-Y316 HydrophobicContact CD2-CD2 3.69Å; F72-Y316 AromaticContact CD2-CE2 3.42Å; F72-Y316 HydrophobicContact CD2-CE2 3.42Å; F72-Y316 VanDerWaalsContact CD2-CE2 3.42Å; F72-Y316 AromaticContact CE2-CD2 3.97Å; F72-Y316 HydrophobicContact CE2-CD2 3.97Å; F72-Y316 AromaticContact CE2-CE2 3.25Å; F72-Y316 HydrophobicContact CE2-CE2 3.25Å; F72-Y316 HydrophobicContact CG-CD2 4.48Å; F72-Y316 HydrophobicContact CG-CE2 4.25Å; F72-Y316 AromaticContact CZ-CE2 3.91Å; F72-Y316 HydrophobicContact CZ-CE2 3.91Å; F72-K319 PolarHBondContact O-NZ 3.34Å |
| 73 | L | 84.4 | Confident | 78.1 | Confident | 4 Ų | 4 | 78.5 Ų | 78.5 | 2% | 0.021 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -68.4 | -42.2 | 176.7 | -70.2 | 171.7 | 0 | 0 | 0 | 111.1 | C69 L70 K76 W81 Y88 V91 I92 K319 | C69-L73 WeakPolarHBondContact O-CB 3.49Å; C69-L73 WeakPolarHBondContact O-CG 3.41Å; C69-L73 PolarHBondContact O-N 2.91Å; L70-L73 PolarHBondContact O-N 3.39Å; L70-L73 VanDerWaalsContact O-N 3.13Å; L73-K76 WeakPolarHBondContact O-CB 3.35Å; L73-W81 PolarHBondContact O-NE1 3.49Å; L73-Y88 HydrophobicContact CD2-CD1 3.33Å; L73-Y88 HydrophobicContact CD2-CE1 3.87Å; L73-Y88 HydrophobicContact CD2-CG 3.95Å; L73-V91 HydrophobicContact CD1-CG1 3.9Å; L73-I92 HydrophobicContact CB-CD1 3.98Å; L73-I92 HydrophobicContact CB-CG1 3.78Å; L73-I92 HydrophobicContact CD1-CG1 3.81Å; L73-I92 HydrophobicContact CG-CG1 4.39Å; L73-K319 HydrophobicContact CD2-CD 4.46Å |
| 74 | L | 85.1 | Confident | 76.9 | Confident | 99 Ų | 99 | 78.6 Ų | 78.6 | 52% | 0.518 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -74.1 | -37.8 | 179.4 | -66.3 | 172.6 | 0 | 0 | 0 | 113.5 | L70 Y71 K76 W81 I92 | L70-L74 WeakPolarHBondContact O-CB 3.35Å; L70-L74 VanDerWaalsContact O-CG 3.26Å; L70-L74 WeakPolarHBondContact O-CG 3.38Å; L70-L74 PolarHBondContact O-N 3.48Å; Y71-L74 PolarHBondContact O-N 3.33Å; L74-K76 PolarHBondContact O-N 3.05Å; L74-W81 HydrophobicContact CD2-CH2 3.95Å; L74-W81 HydrophobicContact CD2-CZ2 3.96Å; L74-I92 HydrophobicContact CD2-CD1 4.07Å |
| 75 | K | 83.5 | Confident | 76.1 | Confident | 139 Ų | 139 | 75.5 Ų | 75.5 | 60% | 0.604 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -15.5 | 179 | -174.1 | 172.5 | -173.8 | 171.8 | 0 | 114.1 | Y71 K77 | Y71-K75 HydrophobicContact CE1-CD 3.9Å; Y71-K75 WeakPolarHBondContact O-CB 3.3Å; Y71-K75 PolarHBondContact O-N 3.07Å; Y71-K75 PolarHBondContact OH-NZ 2.94Å; K75-K77 PolarHBondContact O-N 3.02Å |
| 76 | K | 70.6 | Confident | 75.9 | Confident | 42 Ų | 42 | 73.6 Ų | 73.6 | 18% | 0.183 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -63.4 | 130.4 | -176.8 | -175.4 | 177.1 | -174.8 | 175.3 | 0 | 111 | L73 L74 S80 W81 T84 | L73-K76 WeakPolarHBondContact O-CB 3.35Å; L74-K76 PolarHBondContact O-N 3.05Å; K76-S80 WeakPolarHBondContact CE-OG 3.45Å; K76-W81 PolarHBondContact O-NE1 3.36Å; K76-T84 PolarHBondContact NZ-OG1 3.36Å |
| 77 | K | 59.2 | Low | 75.6 | Confident | 182 Ų | 182 | 74 Ų | 74 | 79% | 0.791 | 36% | 0.36 | S | S | * | . | trans | -57.6 | 138 | -179.4 | -70.4 | -172.6 | 177 | -174.9 | 0 | 112 | K75 A79 S80 W81 | K75-K77 PolarHBondContact O-N 3.02Å; K77-A79 PolarHBondContact O-N 3.1Å; K77-S80 PolarHBondContact O-N 2.89Å; K77-W81 PolarHBondContact O-N 3.19Å | ||
| 78 | R | 57.9 | Low | 75.2 | Confident | 219 Ų | 219 | 71.1 Ų | 71.1 | 83% | 0.826 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -46.7 | -38.4 | -175.5 | -157.9 | 177.8 | -156.9 | 163.3 | 5.7 | 114.7 | S80 W81 | R78-S80 VanDerWaalsContact C-N 3.32Å; R78-S80 PolarHBondContact O-N 2.77Å; R78-W81 VanDerWaalsContact O-CB 3.31Å; R78-W81 WeakPolarHBondContact O-CB 3.49Å; R78-W81 PolarHBondContact O-N 3.18Å; R78-W81 VanDerWaalsContact O-N 3.14Å |
| 79 | A | 53.9 | Low | 75.2 | Confident | 93 Ų | 93 | 68.1 Ų | 68.1 | 77% | 0.769 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -63.9 | -33.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | K77 | K77-A79 PolarHBondContact O-N 3.1Å |
| 80 | S | 57.6 | Low | 75.4 | Confident | 53 Ų | 53 | 68 Ų | 68 | 37% | 0.371 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -85.6 | -16.8 | 176.9 | -168 | 0 | 0 | 0 | 0 | 112.3 | K76 K77 R78 T84 | K76-S80 WeakPolarHBondContact CE-OG 3.45Å; K77-S80 PolarHBondContact O-N 2.89Å; R78-S80 VanDerWaalsContact C-N 3.32Å; R78-S80 PolarHBondContact O-N 2.77Å; S80-T84 PolarHBondContact O-OG1 3.33Å |
| 81 | W | 59 | Low | 75.4 | Confident | 61 Ų | 61 | 67.2 Ų | 67.2 | 23% | 0.231 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.3 | -59.1 | 174.9 | -100.8 | 59.3 | 0 | 0 | 0 | 110.5 | L73 L74 K76 K77 R78 L83 T84 F85 I92 | L73-W81 PolarHBondContact O-NE1 3.49Å; L74-W81 HydrophobicContact CD2-CH2 3.95Å; L74-W81 HydrophobicContact CD2-CZ2 3.96Å; K76-W81 PolarHBondContact O-NE1 3.36Å; K77-W81 PolarHBondContact O-N 3.19Å; R78-W81 VanDerWaalsContact O-CB 3.31Å; R78-W81 WeakPolarHBondContact O-CB 3.49Å; R78-W81 PolarHBondContact O-N 3.18Å; R78-W81 VanDerWaalsContact O-N 3.14Å; W81-L83 PolarHBondContact O-N 2.92Å; W81-T84 CarbonylContact O-C 3.58Å; W81-T84 PolarHBondContact O-N 3.44Å; W81-F85 HydrophobicContact CD2-CD2 4.19Å; W81-F85 AromaticContact CE3-CD2 3.3Å; W81-F85 HydrophobicContact CE3-CD2 3.3Å; W81-F85 AromaticContact CE3-CE2 3.67Å; W81-F85 HydrophobicContact CE3-CE2 3.67Å; W81-F85 HydrophobicContact CE3-CG 4.45Å; W81-F85 HydrophobicContact CH2-CD2 4.39Å; W81-F85 HydrophobicContact CH2-CE2 4.26Å; W81-F85 AromaticContact CZ3-CD2 3.46Å; W81-F85 HydrophobicContact CZ3-CD2 3.46Å; W81-F85 VanDerWaalsContact CZ3-CD2 3.46Å; W81-F85 AromaticContact CZ3-CE2 3.34Å; W81-F85 HydrophobicContact CZ3-CE2 3.34Å; W81-F85 WeakPolarHBondContact O-CA 3.47Å; W81-F85 WeakPolarHBondContact O-CB 3.12Å; W81-F85 PolarHBondContact O-N 2.99Å; W81-I92 HydrophobicContact CH2-CD1 3.72Å; W81-I92 HydrophobicContact CZ2-CD1 3.76Å |
| 82 | N | 58.4 | Low | 75.5 | Confident | 119 Ų | 119 | 62.5 Ų | 62.5 | 64% | 0.636 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -47.6 | -38.6 | -170.7 | -70.2 | -5.3 | 0 | 0 | 0 | 115.5 | ||
| 83 | L | 61.2 | Low | 76 | Confident | 84 Ų | 84 | 59.4 Ų | 59.4 | 44% | 0.44 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -83.2 | -28 | -176.3 | -151.4 | 79.5 | 0 | 0 | 0 | 114.1 | W81 Y330 Y334 | W81-L83 PolarHBondContact O-N 2.92Å; L83-Y330 HydrophobicContact CD2-CD1 3.29Å; L83-Y330 HydrophobicContact CD2-CE1 3.44Å; L83-Y330 VanDerWaalsContact CD2-CE1 3.44Å; L83-Y330 HydrophobicContact CG-CE1 4.43Å; L83-Y334 HydrophobicContact CD2-CD2 4.34Å |
| 84 | T | 70.1 | Confident | 76.5 | Confident | 33 Ų | 33 | 60.5 Ų | 60.5 | 20% | 0.202 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -112 | -2 | -176.9 | 59.6 | 0 | 0 | 0 | 0 | 112.9 | K76 S80 W81 P86 Y87 Y88 | K76-T84 PolarHBondContact NZ-OG1 3.36Å; S80-T84 PolarHBondContact O-OG1 3.33Å; W81-T84 CarbonylContact O-C 3.58Å; W81-T84 PolarHBondContact O-N 3.44Å; T84-P86 VanDerWaalsContact C-N 3.31Å; T84-Y87 PolarHBondContact O-N 2.8Å; T84-Y88 VanDerWaalsContact CB-CD2 3.49Å; T84-Y88 HydrophobicContact CG2-CE2 4.2Å; T84-Y88 VanDerWaalsContact O-CD2 3.25Å; T84-Y88 WeakPolarHBondContact O-CD2 3.31Å; T84-Y88 PolarHBondContact O-N 3.28Å; T84-Y88 VanDerWaalsContact O-N 3.14Å; T84-Y88 WeakPolarHBondContact OG1-CD2 3.37Å |
| 85 | F | 75.4 | Confident | 76.9 | Confident | 32 Ų | 32 | 56.1 Ų | 56.1 | 14% | 0.14 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -55 | -38.8 | -179.6 | 178.3 | -98.4 | 0 | 0 | 0 | 112.8 | W81 Y87 Y88 G89 A166 T169 V170 | W81-F85 HydrophobicContact CD2-CD2 4.19Å; W81-F85 AromaticContact CE3-CD2 3.3Å; W81-F85 HydrophobicContact CE3-CD2 3.3Å; W81-F85 AromaticContact CE3-CE2 3.67Å; W81-F85 HydrophobicContact CE3-CE2 3.67Å; W81-F85 HydrophobicContact CE3-CG 4.45Å; W81-F85 HydrophobicContact CH2-CD2 4.39Å; W81-F85 HydrophobicContact CH2-CE2 4.26Å; W81-F85 AromaticContact CZ3-CD2 3.46Å; W81-F85 HydrophobicContact CZ3-CD2 3.46Å; W81-F85 VanDerWaalsContact CZ3-CD2 3.46Å; W81-F85 AromaticContact CZ3-CE2 3.34Å; W81-F85 HydrophobicContact CZ3-CE2 3.34Å; W81-F85 WeakPolarHBondContact O-CA 3.47Å; W81-F85 WeakPolarHBondContact O-CB 3.12Å; W81-F85 PolarHBondContact O-N 2.99Å; F85-Y87 PolarHBondContact O-N 3.48Å; F85-Y88 PolarHBondContact O-N 3.47Å; F85-G89 WeakPolarHBondContact O-CA 3.32Å; F85-G89 PolarHBondContact O-N 2.97Å; F85-A166 HydrophobicContact CD1-CB 3.83Å; F85-A166 HydrophobicContact CE1-CB 4.27Å; F85-A166 WeakPolarHBondContact CE1-O 3.45Å; F85-T169 HydrophobicContact CD1-CG2 4.23Å; F85-T169 HydrophobicContact CE1-CG2 4.01Å; F85-V170 HydrophobicContact CE1-CG2 3.9Å; F85-V170 HydrophobicContact CZ-CG2 3.92Å |
| 86 | P | 86.4 | Confident | 77.5 | Confident | 3 Ų | 3 | 51.7 Ų | 51.7 | 2% | 0.019 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -54.3 | -59.3 | -179.9 | -28.4 | 35.7 | 0 | 0 | 0 | 112.9 | T84 M90 F164 T169 | T84-P86 VanDerWaalsContact C-N 3.31Å; P86-M90 HydrophobicContact CB-CE 4.25Å; P86-M90 WeakPolarHBondContact O-CE 3.49Å; P86-M90 WeakPolarHBondContact O-CG 3.37Å; P86-M90 PolarHBondContact O-N 3Å; P86-F164 HydrophobicContact CB-CB 3.88Å; P86-F164 HydrophobicContact CB-CD1 4.21Å; P86-F164 HydrophobicContact CB-CG 4.44Å; P86-F164 HydrophobicContact CG-CB 4.15Å; P86-F164 WeakPolarHBondContact CG-O 3.05Å; P86-T169 VanDerWaalsContact CA-OG1 3.31Å; P86-T169 WeakPolarHBondContact CA-OG1 3.49Å; P86-T169 HydrophobicContact CB-CG2 4.36Å; P86-T169 VanDerWaalsContact CB-OG1 3.29Å; P86-T169 WeakPolarHBondContact CB-OG1 3.48Å; P86-T169 WeakPolarHBondContact O-CG2 3.5Å |
| 87 | Y | 87.2 | Confident | 78.7 | Confident | 8 Ų | 8 | 49.7 Ų | 49.7 | 3% | 0.031 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.4 | -51.3 | -179.9 | 177.3 | -99.1 | 0 | 0 | 0 | 112 | T84 F85 G89 M90 V91 I146 L266 | T84-Y87 PolarHBondContact O-N 2.8Å; F85-Y87 PolarHBondContact O-N 3.48Å; Y87-G89 PolarHBondContact O-N 3.32Å; Y87-M90 PolarHBondContact O-N 2.95Å; Y87-V91 HydrophobicContact CD1-CG2 4.29Å; Y87-V91 HydrophobicContact CE1-CG2 3.88Å; Y87-V91 HydrophobicContact CE2-CG2 4.29Å; Y87-V91 WeakPolarHBondContact O-CG2 3.29Å; Y87-V91 PolarHBondContact O-N 2.88Å; Y87-I146 HydrophobicContact CD2-CG2 4.34Å; Y87-I146 HydrophobicContact CE2-CG2 3.8Å; Y87-L266 HydrophobicContact CD1-CD2 4.49Å; Y87-L266 HydrophobicContact CE1-CD2 3.74Å |
| 88 | Y | 86.4 | Confident | 80.4 | Confident | 34 Ų | 34 | 41.3 Ų | 41.3 | 13% | 0.133 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -70.6 | -31.2 | -175 | -69.7 | -55.7 | 0 | 0 | 0 | 113.6 | L73 T84 F85 M90 V91 I92 | L73-Y88 HydrophobicContact CD2-CD1 3.33Å; L73-Y88 HydrophobicContact CD2-CE1 3.87Å; L73-Y88 HydrophobicContact CD2-CG 3.95Å; T84-Y88 VanDerWaalsContact CB-CD2 3.49Å; T84-Y88 HydrophobicContact CG2-CE2 4.2Å; T84-Y88 VanDerWaalsContact O-CD2 3.25Å; T84-Y88 WeakPolarHBondContact O-CD2 3.31Å; T84-Y88 PolarHBondContact O-N 3.28Å; T84-Y88 VanDerWaalsContact O-N 3.14Å; T84-Y88 WeakPolarHBondContact OG1-CD2 3.37Å; F85-Y88 PolarHBondContact O-N 3.47Å; Y88-M90 VanDerWaalsContact C-N 3.34Å; Y88-V91 PolarHBondContact O-N 3.33Å; Y88-I92 WeakPolarHBondContact O-CB 3.45Å; Y88-I92 VanDerWaalsContact O-CG1 3.23Å; Y88-I92 WeakPolarHBondContact O-CG1 3.22Å; Y88-I92 PolarHBondContact O-N 2.86Å |
| 89 | G | 90.1 | Very high | 82.2 | Confident | 6 Ų | 6 | 32.2 Ų | 32.2 | 6% | 0.062 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.8 | -43.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | F85 Y87 I92 S93 I173 | F85-G89 WeakPolarHBondContact O-CA 3.32Å; F85-G89 PolarHBondContact O-N 2.97Å; Y87-G89 PolarHBondContact O-N 3.32Å; G89-I92 PolarHBondContact O-N 2.95Å; G89-S93 PolarHBondContact O-N 3.3Å; G89-I173 WeakPolarHBondContact O-CD1 3.28Å |
| 90 | M | 92.6 | Very high | 84.3 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.6 | -40.6 | 174.4 | -68.3 | 179.2 | -100.1 | 0 | 0 | 111.8 | P86 Y87 Y88 S93 R94 L145 I146 N149 F164 T169 I173 | P86-M90 HydrophobicContact CB-CE 4.25Å; P86-M90 WeakPolarHBondContact O-CE 3.49Å; P86-M90 WeakPolarHBondContact O-CG 3.37Å; P86-M90 PolarHBondContact O-N 3Å; Y87-M90 PolarHBondContact O-N 2.95Å; Y88-M90 VanDerWaalsContact C-N 3.34Å; M90-S93 PolarHBondContact O-N 3.34Å; M90-R94 WeakPolarHBondContact O-CB 3.47Å; M90-R94 PolarHBondContact O-N 3.36Å; M90-L145 HydrophobicContact SD-CB 3.65Å; M90-I146 HydrophobicContact CB-CD1 4.32Å; M90-I146 HydrophobicContact CB-CG1 3.7Å; M90-N149 HydrophobicContact CE-CB 3.59Å; M90-N149 HydrophobicContact SD-CB 4.32Å; M90-F164 HydrophobicContact CE-CD1 3.74Å; M90-F164 HydrophobicContact CE-CE1 3.58Å; M90-F164 HydrophobicContact SD-CE1 4.3Å; M90-T169 HydrophobicContact CE-CG2 4.38Å; M90-T169 HydrophobicContact CG-CG2 4.3Å; M90-I173 HydrophobicContact CG-CD1 4.37Å; M90-I173 HydrophobicContact CG-CG1 4.04Å |
| 91 | V | 90.5 | Very high | 86.1 | Confident | 5 Ų | 5 | 28.1 Ų | 28.1 | 3% | 0.03 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64.9 | -41.7 | 175.1 | 174.2 | 0 | 0 | 0 | 0 | 111.8 | L73 Y87 Y88 S93 R94 C95 I146 T315 | L73-V91 HydrophobicContact CD1-CG1 3.9Å; Y87-V91 HydrophobicContact CD1-CG2 4.29Å; Y87-V91 HydrophobicContact CE1-CG2 3.88Å; Y87-V91 HydrophobicContact CE2-CG2 4.29Å; Y87-V91 WeakPolarHBondContact O-CG2 3.29Å; Y87-V91 PolarHBondContact O-N 2.88Å; Y88-V91 PolarHBondContact O-N 3.33Å; V91-S93 PolarHBondContact O-N 3.2Å; V91-R94 PolarHBondContact O-N 3.24Å; V91-C95 PolarHBondContact O-N 3.46Å; V91-I146 HydrophobicContact CG2-CD1 3.95Å; V91-I146 HydrophobicContact CG2-CG1 4.48Å; V91-T315 HydrophobicContact CG1-CG2 3.9Å |
| 92 | I | 92.2 | Very high | 87.9 | Confident | 26 Ų | 26 | 25.2 Ų | 25.2 | 13% | 0.133 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -56.8 | -51.9 | 173.8 | -75.7 | 166.4 | 0 | 0 | 0 | 109.5 | L70 L73 L74 W81 Y88 G89 R94 C95 T96 | L70-I92 HydrophobicContact CD2-CB 4.13Å; L70-I92 HydrophobicContact CD2-CG1 4.17Å; L70-I92 HydrophobicContact CD2-CG2 3.79Å; L73-I92 HydrophobicContact CB-CD1 3.98Å; L73-I92 HydrophobicContact CB-CG1 3.78Å; L73-I92 HydrophobicContact CD1-CG1 3.81Å; L73-I92 HydrophobicContact CG-CG1 4.39Å; L74-I92 HydrophobicContact CD2-CD1 4.07Å; W81-I92 HydrophobicContact CH2-CD1 3.72Å; W81-I92 HydrophobicContact CZ2-CD1 3.76Å; Y88-I92 WeakPolarHBondContact O-CB 3.45Å; Y88-I92 VanDerWaalsContact O-CG1 3.23Å; Y88-I92 WeakPolarHBondContact O-CG1 3.22Å; Y88-I92 PolarHBondContact O-N 2.86Å; G89-I92 PolarHBondContact O-N 2.95Å; I92-R94 VanDerWaalsContact C-N 3.26Å; I92-R94 PolarHBondContact O-N 2.84Å; I92-C95 PolarHBondContact O-N 3.14Å; I92-C95 VanDerWaalsContact O-N 3.15Å; I92-T96 PolarHBondContact O-N 3.41Å; I92-T96 PolarHBondContact O-OG1 3.27Å; I92-T96 VanDerWaalsContact O-OG1 3.04Å |
| 93 | S | 95.3 | Very high | 89.7 | Confident | 6 Ų | 6 | 21.7 Ų | 21.7 | 4% | 0.042 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -59 | -39.4 | 179.5 | -169 | 0 | 0 | 0 | 0 | 112.1 | G89 M90 V91 T96 C97 H142 I173 W177 | G89-S93 PolarHBondContact O-N 3.3Å; M90-S93 PolarHBondContact O-N 3.34Å; V91-S93 PolarHBondContact O-N 3.2Å; S93-T96 WeakPolarHBondContact O-CB 2.92Å; S93-T96 PolarHBondContact O-N 2.86Å; S93-C97 PolarHBondContact O-N 2.93Å; S93-C97 PolarHBondContact O-SG 3.11Å; S93-H142 PolarHBondContact OG-CE1 3.47Å; S93-H142 PolarHBondContact OG-ND1 3.06Å; S93-H142 PolarHBondContact OG-NE2 3Å; S93-I173 WeakPolarHBondContact OG-CG2 2.95Å; S93-W177 PolarHBondContact OG-NE1 2.79Å |
| 94 | R | 93.2 | Very high | 91.4 | Very high | 27 Ų | 27 | 18 Ų | 18 | 10% | 0.102 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -64.5 | -46.7 | 174.7 | 175.9 | 60.2 | -158.5 | -162.9 | 12.3 | 112.2 | M90 V91 I92 T96 C97 D98 G139 H142 | M90-R94 WeakPolarHBondContact O-CB 3.47Å; M90-R94 PolarHBondContact O-N 3.36Å; V91-R94 PolarHBondContact O-N 3.24Å; I92-R94 VanDerWaalsContact C-N 3.26Å; I92-R94 PolarHBondContact O-N 2.84Å; R94-T96 PolarHBondContact O-N 3.43Å; R94-C97 WeakPolarHBondContact O-CB 3.36Å; R94-C97 PolarHBondContact O-N 3.47Å; R94-C97 VanDerWaalsContact O-N 3.15Å; R94-D98 IonicContact CZ-OD1 3.59Å; R94-D98 IonicContact NE-OD1 3.6Å; R94-D98 PolarHBondContact NE-OD1 3.49Å; R94-D98 IonicContact NE-OD2 3.94Å; R94-D98 IonicContact NH2-OD1 2.65Å; R94-D98 PolarHBondContact NH2-OD1 3.3Å; R94-D98 IonicContact NH2-OD2 4Å; R94-D98 PolarHBondContact O-N 3.08Å; R94-G139 WeakPolarHBondContact CD-O 3.38Å; R94-G139 VanDerWaalsContact NH1-CA 3.27Å; R94-G139 PolarHBondContact NH1-O 3.4Å; R94-H142 HydrophobicContact CB-CB 4.3Å |
| 95 | C | 93.4 | Very high | 92.7 | Very high | 6 Ų | 6 | 16.7 Ų | 16.7 | 4% | 0.041 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -60.1 | -34.5 | 174.6 | -75.2 | 0 | 0 | 0 | 0 | 111.9 | L70 V91 I92 D98 L99 | L70-C95 HydrophobicContact CD2-CB 3.74Å; L70-C95 HydrophobicContact CG-CB 4.03Å; V91-C95 PolarHBondContact O-N 3.46Å; I92-C95 PolarHBondContact O-N 3.14Å; I92-C95 VanDerWaalsContact O-N 3.15Å; C95-D98 WeakPolarHBondContact O-CB 3.37Å; C95-D98 PolarHBondContact O-N 2.9Å; C95-L99 WeakPolarHBondContact O-CG 3.47Å; C95-L99 PolarHBondContact O-N 3.47Å |
| 96 | T | 95.8 | Very high | 93.7 | Very high | 47 Ų | 47 | 16.9 Ų | 16.9 | 29% | 0.288 | 10% | 0.096 | S | C | . | . | H | α-helix | trans | -65.2 | -44 | 173.6 | -56 | 0 | 0 | 0 | 0 | 111.7 | I92 S93 R94 D98 L99 I100 W177 | I92-T96 PolarHBondContact O-N 3.41Å; I92-T96 PolarHBondContact O-OG1 3.27Å; I92-T96 VanDerWaalsContact O-OG1 3.04Å; S93-T96 WeakPolarHBondContact O-CB 2.92Å; S93-T96 PolarHBondContact O-N 2.86Å; R94-T96 PolarHBondContact O-N 3.43Å; T96-D98 VanDerWaalsContact C-N 3.29Å; T96-D98 PolarHBondContact O-N 3.22Å; T96-L99 PolarHBondContact O-N 3.26Å; T96-I100 HydrophobicContact CG2-CD1 4.36Å; T96-I100 WeakPolarHBondContact O-CG1 3.33Å; T96-I100 PolarHBondContact O-N 3.43Å; T96-W177 HydrophobicContact CG2-CH2 4.17Å; T96-W177 HydrophobicContact CG2-CZ2 4.23Å |
| 97 | C | 96.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -57.6 | -45.5 | 174.1 | -64.2 | 0 | 0 | 0 | 0 | 111.4 | S93 R94 I100 I101 A135 W177 | S93-C97 PolarHBondContact O-N 2.93Å; S93-C97 PolarHBondContact O-SG 3.11Å; R94-C97 WeakPolarHBondContact O-CB 3.36Å; R94-C97 PolarHBondContact O-N 3.47Å; R94-C97 VanDerWaalsContact O-N 3.15Å; C97-I100 PolarHBondContact O-N 2.69Å; C97-I101 WeakPolarHBondContact O-CG1 3.43Å; C97-I101 PolarHBondContact O-N 2.81Å; C97-I101 VanDerWaalsContact O-N 3.1Å; C97-A135 HydrophobicContact CB-CB 4.49Å; C97-A135 WeakPolarHBondContact CB-O 3.26Å; C97-W177 WeakPolarHBondContact SG-CH2 3.48Å |
| 98 | D | 95 | Very high | 94.6 | Very high | 5 Ų | 5 | 19.6 Ų | 19.6 | 3% | 0.027 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61 | -44.1 | 177.5 | -84.3 | 12.8 | 0 | 0 | 0 | 112.2 | R94 C95 T96 I100 I101 L102 S308 | R94-D98 IonicContact CZ-OD1 3.59Å; R94-D98 IonicContact NE-OD1 3.6Å; R94-D98 PolarHBondContact NE-OD1 3.49Å; R94-D98 IonicContact NE-OD2 3.94Å; R94-D98 IonicContact NH2-OD1 2.65Å; R94-D98 PolarHBondContact NH2-OD1 3.3Å; R94-D98 IonicContact NH2-OD2 4Å; R94-D98 PolarHBondContact O-N 3.08Å; C95-D98 WeakPolarHBondContact O-CB 3.37Å; C95-D98 PolarHBondContact O-N 2.9Å; T96-D98 VanDerWaalsContact C-N 3.29Å; T96-D98 PolarHBondContact O-N 3.22Å; D98-I100 VanDerWaalsContact C-N 3.34Å; D98-I100 PolarHBondContact O-N 3.14Å; D98-I101 PolarHBondContact O-N 3.4Å; D98-L102 WeakPolarHBondContact O-CB 3.37Å; D98-L102 WeakPolarHBondContact O-CG 3.33Å; D98-L102 PolarHBondContact O-N 3.47Å; D98-S308 WeakPolarHBondContact CB-OG 3.3Å; D98-S308 WeakPolarHBondContact OD2-CB 3.47Å; D98-S308 PolarHBondContact OD2-OG 3.14Å |
| 99 | L | 96.3 | Very high | 95 | Very high | 28 Ų | 28 | 18 Ų | 18 | 15% | 0.147 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61.7 | -39.7 | 174.7 | -78.1 | 173.6 | 0 | 0 | 0 | 113 | I63 N66 L67 L70 C95 T96 I101 L102 A103 | I63-L99 HydrophobicContact CG2-CD2 4.26Å; N66-L99 HydrophobicContact CB-CD1 4.3Å; N66-L99 HydrophobicContact CB-CD2 3.53Å; N66-L99 HydrophobicContact CB-CG 3.66Å; L67-L99 HydrophobicContact CD2-CD1 3.82Å; L67-L99 HydrophobicContact CD2-CD2 4.25Å; L67-L99 HydrophobicContact CG-CD1 4.38Å; L67-L99 HydrophobicContact CG-CD2 4.02Å; L70-L99 HydrophobicContact CD1-CD1 3.36Å; L70-L99 HydrophobicContact CG-CD1 4.36Å; C95-L99 WeakPolarHBondContact O-CG 3.47Å; C95-L99 PolarHBondContact O-N 3.47Å; T96-L99 PolarHBondContact O-N 3.26Å; L99-I101 VanDerWaalsContact C-N 3.34Å; L99-L102 PolarHBondContact O-N 2.69Å; L99-A103 WeakPolarHBondContact O-CB 3.22Å; L99-A103 PolarHBondContact O-N 2.87Å |
| 100 | I | 97.3 | Very high | 95.3 | Very high | 40 Ų | 40 | 18 Ų | 18 | 21% | 0.205 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -60.5 | -47.6 | 176.1 | -66.9 | 164.4 | 0 | 0 | 0 | 109.6 | T96 C97 D98 L102 A103 I104 L131 A135 W177 | T96-I100 HydrophobicContact CG2-CD1 4.36Å; T96-I100 WeakPolarHBondContact O-CG1 3.33Å; T96-I100 PolarHBondContact O-N 3.43Å; C97-I100 PolarHBondContact O-N 2.69Å; D98-I100 VanDerWaalsContact C-N 3.34Å; D98-I100 PolarHBondContact O-N 3.14Å; I100-L102 PolarHBondContact O-N 2.95Å; I100-A103 PolarHBondContact O-N 3.13Å; I100-I104 HydrophobicContact CG2-CD1 4.07Å; I100-I104 VanDerWaalsContact O-CG1 3.29Å; I100-I104 WeakPolarHBondContact O-CG1 3.41Å; I100-I104 PolarHBondContact O-N 3.23Å; I100-L131 HydrophobicContact CG2-CD1 4.24Å; I100-L131 HydrophobicContact CG2-CD2 4.23Å; I100-L131 HydrophobicContact CG2-CG 3.89Å; I100-A135 HydrophobicContact CB-CB 3.94Å; I100-A135 HydrophobicContact CD1-CB 4.5Å; I100-A135 HydrophobicContact CG2-CB 3.76Å; I100-W177 HydrophobicContact CD1-CH2 3.96Å; I100-W177 HydrophobicContact CD1-CZ3 4.19Å |
| 101 | I | 96.1 | Very high | 95.5 | Very high | 20 Ų | 20 | 19.4 Ų | 19.4 | 10% | 0.103 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60.6 | -49.2 | 178.2 | -66.4 | 170.3 | 0 | 0 | 0 | 110.5 | C97 D98 L99 A103 I104 Y105 A135 | C97-I101 WeakPolarHBondContact O-CG1 3.43Å; C97-I101 PolarHBondContact O-N 2.81Å; C97-I101 VanDerWaalsContact O-N 3.1Å; D98-I101 PolarHBondContact O-N 3.4Å; L99-I101 VanDerWaalsContact C-N 3.34Å; I101-A103 VanDerWaalsContact C-N 3.34Å; I101-A103 PolarHBondContact O-N 3.31Å; I101-I104 WeakPolarHBondContact O-CB 3.36Å; I101-I104 PolarHBondContact O-N 3.06Å; I101-I104 VanDerWaalsContact O-N 3.16Å; I101-Y105 HydrophobicContact CG2-CD2 3.98Å; I101-Y105 HydrophobicContact CG2-CE2 3.85Å; I101-Y105 WeakPolarHBondContact O-CD2 3.46Å; I101-Y105 PolarHBondContact O-N 2.9Å; I101-A135 HydrophobicContact CD1-CB 4.27Å; I101-A135 HydrophobicContact CG1-CB 3.79Å |
| 102 | L | 96.5 | Very high | 95.7 | Very high | 1 Ų | 1 | 19.2 Ų | 19.2 | 1% | 0.005 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -63.9 | -39 | -179.1 | -67.7 | 167.8 | 0 | 0 | 0 | 112.5 | G62 I63 D98 L99 I100 I104 Y105 V106 V305 | G62-L102 VanDerWaalsContact C-CD1 3.4Å; I63-L102 HydrophobicContact CD1-CB 4.3Å; I63-L102 HydrophobicContact CG1-CB 3.62Å; I63-L102 HydrophobicContact CG1-CD1 4.33Å; D98-L102 WeakPolarHBondContact O-CB 3.37Å; D98-L102 WeakPolarHBondContact O-CG 3.33Å; D98-L102 PolarHBondContact O-N 3.47Å; L99-L102 PolarHBondContact O-N 2.69Å; I100-L102 PolarHBondContact O-N 2.95Å; L102-I104 VanDerWaalsContact C-N 3.32Å; L102-I104 PolarHBondContact O-N 3.32Å; L102-Y105 WeakPolarHBondContact O-CB 3.45Å; L102-Y105 PolarHBondContact O-N 3.15Å; L102-V106 PolarHBondContact O-N 2.89Å; L102-V106 VanDerWaalsContact O-N 3.08Å; L102-V305 HydrophobicContact CD2-CB 4.34Å; L102-V305 HydrophobicContact CD2-CG1 3.59Å; L102-V305 HydrophobicContact CD2-CG2 4.47Å |
| 103 | A | 96.9 | Very high | 95.8 | Very high | 45 Ų | 45 | 18 Ų | 18 | 37% | 0.372 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -62.4 | -40.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111.2 | L99 I100 I101 Y105 V106 S107 | L99-A103 WeakPolarHBondContact O-CB 3.22Å; L99-A103 PolarHBondContact O-N 2.87Å; I100-A103 PolarHBondContact O-N 3.13Å; I101-A103 VanDerWaalsContact C-N 3.34Å; I101-A103 PolarHBondContact O-N 3.31Å; A103-Y105 VanDerWaalsContact C-N 3.33Å; A103-Y105 PolarHBondContact O-N 3.04Å; A103-V106 PolarHBondContact O-N 3.4Å; A103-S107 VanDerWaalsContact O-CB 3.28Å; A103-S107 WeakPolarHBondContact O-CB 3.29Å; A103-S107 PolarHBondContact O-N 2.68Å; A103-S107 PolarHBondContact O-OG 3.4Å |
| 104 | I | 96.8 | Very high | 95.8 | Very high | 7 Ų | 7 | 20.7 Ų | 20.7 | 4% | 0.036 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61.1 | -41.9 | 172.8 | -70 | 167 | 0 | 0 | 0 | 110.9 | I100 I101 L102 V106 Y108 C109 V128 L131 R132 W203 | I100-I104 HydrophobicContact CG2-CD1 4.07Å; I100-I104 VanDerWaalsContact O-CG1 3.29Å; I100-I104 WeakPolarHBondContact O-CG1 3.41Å; I100-I104 PolarHBondContact O-N 3.23Å; I101-I104 WeakPolarHBondContact O-CB 3.36Å; I101-I104 PolarHBondContact O-N 3.06Å; I101-I104 VanDerWaalsContact O-N 3.16Å; L102-I104 VanDerWaalsContact C-N 3.32Å; L102-I104 PolarHBondContact O-N 3.32Å; I104-V106 PolarHBondContact O-N 2.97Å; I104-Y108 WeakPolarHBondContact O-CA 3.29Å; I104-Y108 VanDerWaalsContact O-CB 3.27Å; I104-Y108 WeakPolarHBondContact O-CB 3.44Å; I104-Y108 PolarHBondContact O-N 3.48Å; I104-C109 PolarHBondContact O-N 3.47Å; I104-V128 HydrophobicContact CG1-CG1 4.34Å; I104-V128 HydrophobicContact CG2-CG1 3.55Å; I104-L131 HydrophobicContact CD1-CB 4.18Å; I104-L131 HydrophobicContact CD1-CD2 4.09Å; I104-L131 HydrophobicContact CD1-CG 4.01Å; I104-L131 HydrophobicContact CG1-CD2 4.44Å; I104-R132 HydrophobicContact CD1-CB 3.89Å; I104-W203 HydrophobicContact CG2-CH2 4.34Å; I104-W203 HydrophobicContact CG2-CZ2 3.72Å |
| 105 | Y | 95.8 | Very high | 95.8 | Very high | 4 Ų | 4 | 25.7 Ų | 25.7 | 2% | 0.016 | 14% | 0.144 | C | C | . | . | I | π-helix | trans | -60 | -46.8 | 176.4 | -88 | -89.2 | 0 | 0 | 0 | 112.3 | L55 S59 I101 L102 A103 C109 V110 W203 V305 | L55-Y105 HydrophobicContact CD2-CD1 4.13Å; L55-Y105 HydrophobicContact CD2-CE1 4.07Å; S59-Y105 WeakPolarHBondContact OG-CB 3.48Å; I101-Y105 HydrophobicContact CG2-CD2 3.98Å; I101-Y105 HydrophobicContact CG2-CE2 3.85Å; I101-Y105 WeakPolarHBondContact O-CD2 3.46Å; I101-Y105 PolarHBondContact O-N 2.9Å; L102-Y105 WeakPolarHBondContact O-CB 3.45Å; L102-Y105 PolarHBondContact O-N 3.15Å; A103-Y105 VanDerWaalsContact C-N 3.33Å; A103-Y105 PolarHBondContact O-N 3.04Å; Y105-C109 HydrophobicContact CD1-CB 4.02Å; Y105-C109 WeakPolarHBondContact O-CB 3.49Å; Y105-C109 PolarHBondContact O-N 2.81Å; Y105-V110 WeakPolarHBondContact O-CG2 3.29Å; Y105-V110 PolarHBondContact O-N 2.66Å; Y105-W203 AromaticContact CZ-CD1 3.88Å; Y105-W203 AromaticContact CZ-NE1 3.79Å; Y105-V305 HydrophobicContact CD1-CG2 4.08Å; Y105-V305 HydrophobicContact CD2-CG2 3.89Å; Y105-V305 HydrophobicContact CE1-CG2 4Å; Y105-V305 HydrophobicContact CE2-CG2 3.82Å; Y105-V305 HydrophobicContact CG-CG2 4.03Å |
| 106 | V | 96.5 | Very high | 95.8 | Very high | 36 Ų | 36 | 27.3 Ų | 27.3 | 22% | 0.218 | 15% | 0.151 | C | C | . | . | I | π-helix | trans | -73.3 | -44.2 | -178 | 175.9 | 0 | 0 | 0 | 0 | 112.6 | L56 I63 L102 A103 I104 P111 | L56-V106 HydrophobicContact CD1-CG1 3.98Å; L56-V106 HydrophobicContact CD1-CG2 4.24Å; I63-V106 HydrophobicContact CD1-CB 4.32Å; I63-V106 HydrophobicContact CD1-CG2 3.63Å; L102-V106 PolarHBondContact O-N 2.89Å; L102-V106 VanDerWaalsContact O-N 3.08Å; A103-V106 PolarHBondContact O-N 3.4Å; I104-V106 PolarHBondContact O-N 2.97Å; V106-P111 VanDerWaalsContact O-CD 3.31Å; V106-P111 WeakPolarHBondContact O-CD 3.3Å |
| 107 | S | 95.9 | Very high | 95.5 | Very high | 65 Ų | 65 | 31 Ų | 31 | 46% | 0.455 | 16% | 0.163 | S | C | . | . | I | π-helix | trans | -86 | -23.3 | -173.5 | 63.6 | 0 | 0 | 0 | 0 | 114.5 | A103 P111 Y120 | A103-S107 VanDerWaalsContact O-CB 3.28Å; A103-S107 WeakPolarHBondContact O-CB 3.29Å; A103-S107 PolarHBondContact O-N 2.68Å; A103-S107 PolarHBondContact O-OG 3.4Å; S107-P111 WeakPolarHBondContact O-CG 3.21Å; S107-Y120 PolarHBondContact O-OH 3.21Å |
| 108 | Y | 96.6 | Very high | 95.1 | Very high | 4 Ų | 4 | 33.9 Ų | 33.9 | 2% | 0.016 | 18% | 0.176 | C | C | . | . | I | π-helix | trans | -119.9 | -58.6 | -177.1 | 175.9 | -92.5 | 0 | 0 | 0 | 112.4 | I104 V110 P111 V112 H118 Y120 V128 F196 W203 | I104-Y108 WeakPolarHBondContact O-CA 3.29Å; I104-Y108 VanDerWaalsContact O-CB 3.27Å; I104-Y108 WeakPolarHBondContact O-CB 3.44Å; I104-Y108 PolarHBondContact O-N 3.48Å; Y108-V110 PolarHBondContact O-N 2.72Å; Y108-P111 WeakPolarHBondContact O-CD 3.15Å; Y108-V112 HydrophobicContact CD2-CG2 4.24Å; Y108-V112 HydrophobicContact CE1-CG2 4.31Å; Y108-V112 HydrophobicContact CE2-CG2 3.97Å; Y108-V112 HydrophobicContact CG-CG2 4.49Å; Y108-V112 WeakPolarHBondContact O-CB 3.46Å; Y108-V112 VanDerWaalsContact O-CG2 3.22Å; Y108-V112 WeakPolarHBondContact O-CG2 3.34Å; Y108-V112 PolarHBondContact O-N 3.42Å; Y108-H118 PolarHBondContact OH-ND1 3.38Å; Y108-Y120 AromaticContact CD2-CD2 3.36Å; Y108-Y120 HydrophobicContact CD2-CD2 3.36Å; Y108-Y120 AromaticContact CD2-CE2 3.49Å; Y108-Y120 HydrophobicContact CD2-CE2 3.49Å; Y108-Y120 VanDerWaalsContact CD2-CE2 3.49Å; Y108-Y120 HydrophobicContact CD2-CG 4.3Å; Y108-Y120 AromaticContact CE2-CD2 3.58Å; Y108-Y120 HydrophobicContact CE2-CD2 3.58Å; Y108-Y120 HydrophobicContact CE2-CE2 4.17Å; Y108-Y120 HydrophobicContact CE2-CG 4.41Å; Y108-Y120 HydrophobicContact CG-CE2 4.4Å; Y108-V128 HydrophobicContact CD1-CG1 3.72Å; Y108-V128 HydrophobicContact CD2-CB 4.26Å; Y108-V128 HydrophobicContact CD2-CG1 4.07Å; Y108-V128 HydrophobicContact CD2-CG2 3.82Å; Y108-V128 HydrophobicContact CE1-CG1 4.11Å; Y108-V128 HydrophobicContact CE2-CB 4.35Å; Y108-V128 HydrophobicContact CE2-CG1 4.45Å; Y108-V128 HydrophobicContact CE2-CG2 4.16Å; Y108-V128 HydrophobicContact CG-CB 4.4Å; Y108-V128 HydrophobicContact CG-CG1 3.71Å; Y108-V128 HydrophobicContact CG-CG2 4.24Å; Y108-F196 HydrophobicContact CE1-CB 3.82Å; Y108-W203 HydrophobicContact CD1-CH2 4.06Å; Y108-W203 HydrophobicContact CD1-CZ2 4.09Å; Y108-W203 AromaticContact CE1-CH2 3.79Å; Y108-W203 HydrophobicContact CE1-CH2 3.79Å; Y108-W203 HydrophobicContact CE1-CZ2 4.18Å |
| 109 | C | 95.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | I | π-helix | trans | -62 | -48.4 | -173.3 | -58.5 | 0 | 0 | 0 | 0 | 111.8 | I104 Y105 V112 V113 F196 W203 | I104-C109 PolarHBondContact O-N 3.47Å; Y105-C109 HydrophobicContact CD1-CB 4.02Å; Y105-C109 WeakPolarHBondContact O-CB 3.49Å; Y105-C109 PolarHBondContact O-N 2.81Å; C109-V112 PolarHBondContact O-N 2.92Å; C109-V113 WeakPolarHBondContact O-CG2 3.41Å; C109-V113 PolarHBondContact O-N 3.49Å; C109-F196 HydrophobicContact CB-CD1 4.31Å; C109-F196 HydrophobicContact CB-CD2 4.4Å; C109-F196 HydrophobicContact CB-CE1 3.97Å; C109-F196 HydrophobicContact CB-CE2 4.06Å; C109-F196 HydrophobicContact CB-CZ 3.83Å; C109-W203 VanDerWaalsContact SG-CZ2 3.53Å |
| 110 | V | 96.5 | Very high | 94.4 | Very high | 6 Ų | 6 | 41.5 Ų | 41.5 | 4% | 0.036 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.9 | -50.9 | -177.8 | 168.1 | 0 | 0 | 0 | 0 | 112 | L55 L56 Y105 Y108 V112 V113 F114 | L55-V110 HydrophobicContact CB-CG2 3.88Å; L56-V110 HydrophobicContact CB-CG1 4.34Å; L56-V110 HydrophobicContact CB-CG2 4.01Å; L56-V110 HydrophobicContact CD1-CG1 4.27Å; L56-V110 HydrophobicContact CD1-CG2 4.24Å; Y105-V110 WeakPolarHBondContact O-CG2 3.29Å; Y105-V110 PolarHBondContact O-N 2.66Å; Y108-V110 PolarHBondContact O-N 2.72Å; V110-V112 PolarHBondContact O-N 2.9Å; V110-V113 PolarHBondContact O-N 2.9Å; V110-F114 HydrophobicContact CG1-CD2 3.69Å; V110-F114 HydrophobicContact CG1-CE2 3.26Å; V110-F114 HydrophobicContact CG1-CZ 4.12Å; V110-F114 WeakPolarHBondContact O-CD2 3.4Å; V110-F114 PolarHBondContact O-N 3.29Å |
| 111 | P | 96.3 | Very high | 94.1 | Very high | 30 Ų | 30 | 41.4 Ų | 41.4 | 20% | 0.195 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -57.1 | -47 | 173.3 | -29.7 | 37 | 0 | 0 | 0 | 113.3 | V106 S107 Y108 V113 F114 F115 I119 | V106-P111 VanDerWaalsContact O-CD 3.31Å; V106-P111 WeakPolarHBondContact O-CD 3.3Å; S107-P111 WeakPolarHBondContact O-CG 3.21Å; Y108-P111 WeakPolarHBondContact O-CD 3.15Å; P111-V113 PolarHBondContact O-N 2.74Å; P111-F114 PolarHBondContact O-N 2.97Å; P111-F114 VanDerWaalsContact O-N 3.08Å; P111-F115 HydrophobicContact CB-CD2 4.36Å; P111-F115 WeakPolarHBondContact O-CD2 3.32Å; P111-F115 PolarHBondContact O-N 2.89Å; P111-I119 HydrophobicContact CB-CD1 3.84Å |
| 112 | V | 95.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.5 | -35.3 | 179.9 | 172.2 | 0 | 0 | 0 | 0 | 111.2 | Y108 C109 V110 Q116 I119 F196 Y198 | Y108-V112 HydrophobicContact CD2-CG2 4.24Å; Y108-V112 HydrophobicContact CE1-CG2 4.31Å; Y108-V112 HydrophobicContact CE2-CG2 3.97Å; Y108-V112 HydrophobicContact CG-CG2 4.49Å; Y108-V112 WeakPolarHBondContact O-CB 3.46Å; Y108-V112 VanDerWaalsContact O-CG2 3.22Å; Y108-V112 WeakPolarHBondContact O-CG2 3.34Å; Y108-V112 PolarHBondContact O-N 3.42Å; C109-V112 PolarHBondContact O-N 2.92Å; V110-V112 PolarHBondContact O-N 2.9Å; V112-Q116 WeakPolarHBondContact O-CA 3.21Å; V112-Q116 PolarHBondContact O-N 3.44Å; V112-I119 HydrophobicContact CG2-CG1 4.46Å; V112-F196 HydrophobicContact CG1-CD1 4.36Å; V112-Y198 HydrophobicContact CG1-CD1 4.1Å; V112-Y198 HydrophobicContact CG1-CG 4.07Å |
| 113 | V | 95 | Very high | 93.6 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.9 | -47.6 | 172.2 | 169.5 | 0 | 0 | 0 | 0 | 111.9 | K48 L55 C109 V110 P111 F115 Q116 F196 Y201 | K48-V113 WeakPolarHBondContact O-CG1 3.48Å; L55-V113 HydrophobicContact CD1-CG2 4.07Å; C109-V113 WeakPolarHBondContact O-CG2 3.41Å; C109-V113 PolarHBondContact O-N 3.49Å; V110-V113 PolarHBondContact O-N 2.9Å; P111-V113 PolarHBondContact O-N 2.74Å; V113-F115 PolarHBondContact O-N 3.39Å; V113-Q116 WeakPolarHBondContact O-CG 3.3Å; V113-Q116 PolarHBondContact O-N 2.89Å; V113-Q116 PolarHBondContact O-NE2 3.42Å; V113-F196 HydrophobicContact CG2-CE1 3.67Å; V113-F196 HydrophobicContact CG2-CZ 4.08Å; V113-Y201 HydrophobicContact CB-CE1 4.5Å; V113-Y201 HydrophobicContact CG1-CD1 3.98Å; V113-Y201 HydrophobicContact CG1-CE1 3.59Å; V113-Y201 HydrophobicContact CG2-CD1 3.72Å; V113-Y201 HydrophobicContact CG2-CE1 4.12Å |
| 114 | F | 95 | Very high | 93.4 | Very high | 63 Ų | 63 | 49.8 Ų | 49.8 | 28% | 0.276 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -65.1 | -40.4 | -178.6 | -72.6 | -47.2 | 0 | 0 | 0 | 113 | L49 V110 P111 | L49-F114 HydrophobicContact CD1-CE1 3.97Å; V110-F114 HydrophobicContact CG1-CD2 3.69Å; V110-F114 HydrophobicContact CG1-CE2 3.26Å; V110-F114 HydrophobicContact CG1-CZ 4.12Å; V110-F114 WeakPolarHBondContact O-CD2 3.4Å; V110-F114 PolarHBondContact O-N 3.29Å; P111-F114 PolarHBondContact O-N 2.97Å; P111-F114 VanDerWaalsContact O-N 3.08Å |
| 115 | F | 93.4 | Very high | 93.2 | Very high | 133 Ų | 133 | 50.4 Ų | 50.4 | 58% | 0.583 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -85.9 | -11.8 | -179.1 | -67.8 | -71.1 | 0 | 0 | 0 | 113.5 | P111 V113 K117 I119 | P111-F115 HydrophobicContact CB-CD2 4.36Å; P111-F115 WeakPolarHBondContact O-CD2 3.32Å; P111-F115 PolarHBondContact O-N 2.89Å; V113-F115 PolarHBondContact O-N 3.39Å; F115-K117 HydrophobicContact CB-CG 4.01Å; F115-K117 PolarHBondContact O-N 3.01Å; F115-I119 HydrophobicContact CB-CD1 4.06Å; F115-I119 HydrophobicContact CB-CG1 4.42Å; F115-I119 HydrophobicContact CD2-CD1 3.38Å; F115-I119 HydrophobicContact CD2-CG1 4.48Å; F115-I119 HydrophobicContact CE2-CD1 4.14Å; F115-I119 HydrophobicContact CG-CD1 4.01Å |
| 116 | Q | 91.6 | Very high | 93.1 | Very high | 40 Ų | 40 | 52.3 Ų | 52.3 | 19% | 0.187 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | 27.1 | -178.7 | -68.5 | -69.1 | -52.5 | 0 | 0 | 113.9 | K48 V112 V113 Y198 | K48-Q116 HydrophobicContact CB-CG 4.13Å; K48-Q116 HydrophobicContact CD-CG 4.02Å; V112-Q116 WeakPolarHBondContact O-CA 3.21Å; V112-Q116 PolarHBondContact O-N 3.44Å; V113-Q116 WeakPolarHBondContact O-CG 3.3Å; V113-Q116 PolarHBondContact O-N 2.89Å; V113-Q116 PolarHBondContact O-NE2 3.42Å; Q116-Y198 VanDerWaalsContact C-CE2 3.5Å; Q116-Y198 HydrophobicContact CB-CD2 4.44Å; Q116-Y198 HydrophobicContact CB-CE2 4.15Å; Q116-Y198 WeakPolarHBondContact O-CE2 3.44Å; Q116-Y198 VanDerWaalsContact O-CZ 3.28Å; Q116-Y198 PolarHBondContact O-OH 3.46Å |
| 117 | K | 91 | Very high | 93 | Very high | 125 Ų | 125 | 55 Ų | 55 | 54% | 0.543 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -146.4 | 151.5 | 178.1 | 67.5 | -178.4 | -179.7 | 176.7 | 0 | 109.3 | F115 I119 | F115-K117 HydrophobicContact CB-CG 4.01Å; F115-K117 PolarHBondContact O-N 3.01Å; K117-I119 HydrophobicContact CG-CG1 4.37Å; K117-I119 WeakPolarHBondContact O-CG1 3.41Å; K117-I119 PolarHBondContact O-N 3.5Å |
| 118 | H | 88.1 | Confident | 93 | Very high | 60 Ų | 60 | 52.8 Ų | 52.8 | 28% | 0.278 | 26% | 0.259 | S | S | . | . | trans | -74.2 | 124 | 169.2 | -62.2 | -79.3 | 0 | 0 | 0 | 109.5 | Y108 E125 F196 Y198 | Y108-H118 PolarHBondContact OH-ND1 3.38Å; H118-E125 HydrophobicContact CB-CG 4.07Å; H118-E125 WeakPolarHBondContact CB-OE1 3.31Å; H118-E125 IonicContact CD2-OE1 3.66Å; H118-E125 VanDerWaalsContact CG-CD 3.48Å; H118-E125 IonicContact CG-OE1 3.98Å; H118-E125 IonicContact CG-OE2 3.63Å; H118-E125 IonicContact ND1-OE1 2.84Å; H118-E125 IonicContact ND1-OE2 3.1Å; H118-F196 PolarHBondContact CE1-O 2.92Å; H118-Y198 AromaticContact CD2-CE1 3.89Å; H118-Y198 AromaticContact CE1-CD1 3.89Å; H118-Y198 AromaticContact NE2-CD1 3.62Å; H118-Y198 AromaticContact NE2-CE1 3.52Å | ||
| 119 | I | 88.8 | Confident | 92.9 | Very high | 75 Ų | 75 | 52.7 Ų | 52.7 | 39% | 0.385 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -97.4 | -27 | -168.5 | -49.7 | 169.7 | 0 | 0 | 0 | 111.6 | P111 V112 F115 K117 G121 | P111-I119 HydrophobicContact CB-CD1 3.84Å; V112-I119 HydrophobicContact CG2-CG1 4.46Å; F115-I119 HydrophobicContact CB-CD1 4.06Å; F115-I119 HydrophobicContact CB-CG1 4.42Å; F115-I119 HydrophobicContact CD2-CD1 3.38Å; F115-I119 HydrophobicContact CD2-CG1 4.48Å; F115-I119 HydrophobicContact CE2-CD1 4.14Å; F115-I119 HydrophobicContact CG-CD1 4.01Å; K117-I119 HydrophobicContact CG-CG1 4.37Å; K117-I119 WeakPolarHBondContact O-CG1 3.41Å; K117-I119 PolarHBondContact O-N 3.5Å; I119-G121 VanDerWaalsContact C-N 3.34Å; I119-G121 PolarHBondContact O-N 2.9Å |
| 120 | Y | 88.3 | Confident | 92.9 | Very high | 117 Ų | 117 | 54.1 Ų | 54.1 | 46% | 0.459 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -92.6 | 8.7 | -169.7 | -64.5 | -87.6 | 0 | 0 | 0 | 114 | S107 Y108 G124 | S107-Y120 PolarHBondContact O-OH 3.21Å; Y108-Y120 AromaticContact CD2-CD2 3.36Å; Y108-Y120 HydrophobicContact CD2-CD2 3.36Å; Y108-Y120 AromaticContact CD2-CE2 3.49Å; Y108-Y120 HydrophobicContact CD2-CE2 3.49Å; Y108-Y120 VanDerWaalsContact CD2-CE2 3.49Å; Y108-Y120 HydrophobicContact CD2-CG 4.3Å; Y108-Y120 AromaticContact CE2-CD2 3.58Å; Y108-Y120 HydrophobicContact CE2-CD2 3.58Å; Y108-Y120 HydrophobicContact CE2-CE2 4.17Å; Y108-Y120 HydrophobicContact CE2-CG 4.41Å; Y108-Y120 HydrophobicContact CG-CE2 4.4Å; Y120-G124 WeakPolarHBondContact O-CA 3.17Å; Y120-G124 PolarHBondContact O-N 2.89Å |
| 121 | G | 90.8 | Very high | 93 | Very high | 39 Ų | 39 | 55.9 Ų | 55.9 | 40% | 0.402 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | 64.3 | 179.1 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | I119 L123 G124 E125 | I119-G121 VanDerWaalsContact C-N 3.34Å; I119-G121 PolarHBondContact O-N 2.9Å; G121-L123 PolarHBondContact O-N 2.91Å; G121-G124 PolarHBondContact O-N 3.46Å; G121-E125 WeakPolarHBondContact O-CG 3.25Å; G121-E125 PolarHBondContact O-N 3.14Å |
| 122 | E | 89.9 | Confident | 93 | Very high | 106 Ų | 106 | 56 Ų | 56 | 50% | 0.495 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -66.4 | -42.3 | -172.1 | -169.4 | -179.2 | -175.7 | 0 | 0 | 113 | G124 E125 R126 | E122-G124 VanDerWaalsContact C-N 3.34Å; E122-G124 PolarHBondContact O-N 2.81Å; E122-E125 PolarHBondContact O-N 3.16Å; E122-R126 WeakPolarHBondContact O-CG 3.33Å; E122-R126 PolarHBondContact O-N 3.4Å; E122-R126 VanDerWaalsContact O-N 3.09Å; E122-R126 IonicContact OE1-CZ 3.37Å; E122-R126 IonicContact OE1-NE 3.16Å; E122-R126 IonicContact OE1-NH2 2.69Å; E122-R126 PolarHBondContact OE1-NH2 3.42Å; E122-R126 IonicContact OE2-NH2 3.74Å |
| 123 | L | 92.1 | Very high | 93 | Very high | 118 Ų | 118 | 56 Ų | 56 | 62% | 0.618 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -64.6 | -40.8 | 178.6 | -174.1 | 65 | 0 | 0 | 0 | 111.4 | G121 R126 F127 W188 | G121-L123 PolarHBondContact O-N 2.91Å; L123-R126 PolarHBondContact O-N 3.32Å; L123-F127 WeakPolarHBondContact O-CB 3.42Å; L123-F127 PolarHBondContact O-N 2.88Å; L123-W188 HydrophobicContact CD1-CZ3 3.99Å |
| 124 | G | 93 | Very high | 93.1 | Very high | 18 Ų | 18 | 57.8 Ų | 57.8 | 19% | 0.186 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.1 | -42.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y120 G121 E122 R126 F127 V128 | Y120-G124 WeakPolarHBondContact O-CA 3.17Å; Y120-G124 PolarHBondContact O-N 2.89Å; G121-G124 PolarHBondContact O-N 3.46Å; E122-G124 VanDerWaalsContact C-N 3.34Å; E122-G124 PolarHBondContact O-N 2.81Å; G124-R126 PolarHBondContact O-N 2.89Å; G124-F127 PolarHBondContact O-N 2.94Å; G124-V128 VanDerWaalsContact O-CG2 3.31Å; G124-V128 WeakPolarHBondContact O-CG2 3.41Å; G124-V128 PolarHBondContact O-N 2.92Å |
| 125 | E | 91.7 | Very high | 93.3 | Very high | 19 Ų | 19 | 54.8 Ų | 54.8 | 9% | 0.089 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.9 | -45.9 | 174.4 | -74.2 | 174.7 | -140.7 | 0 | 0 | 112.5 | H118 G121 E122 F127 V128 G129 K195 | H118-E125 HydrophobicContact CB-CG 4.07Å; H118-E125 WeakPolarHBondContact CB-OE1 3.31Å; H118-E125 IonicContact CD2-OE1 3.66Å; H118-E125 VanDerWaalsContact CG-CD 3.48Å; H118-E125 IonicContact CG-OE1 3.98Å; H118-E125 IonicContact CG-OE2 3.63Å; H118-E125 IonicContact ND1-OE1 2.84Å; H118-E125 IonicContact ND1-OE2 3.1Å; G121-E125 WeakPolarHBondContact O-CG 3.25Å; G121-E125 PolarHBondContact O-N 3.14Å; E122-E125 PolarHBondContact O-N 3.16Å; E125-F127 VanDerWaalsContact C-N 3.33Å; E125-F127 PolarHBondContact O-N 3.45Å; E125-V128 PolarHBondContact O-N 2.98Å; E125-G129 PolarHBondContact O-N 3.14Å; E125-K195 WeakPolarHBondContact OE2-CE 3.26Å; E125-K195 IonicContact OE2-NZ 2.69Å; E125-K195 PolarHBondContact OE2-NZ 3.23Å |
| 126 | R | 92.9 | Very high | 93.4 | Very high | 44 Ų | 44 | 50.1 Ų | 50.1 | 17% | 0.166 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.2 | -46 | 177.1 | -68.5 | 173.9 | -167.5 | -178.3 | -0.3 | 110.8 | E122 L123 G124 G129 F130 Q193 | E122-R126 WeakPolarHBondContact O-CG 3.33Å; E122-R126 PolarHBondContact O-N 3.4Å; E122-R126 VanDerWaalsContact O-N 3.09Å; E122-R126 IonicContact OE1-CZ 3.37Å; E122-R126 IonicContact OE1-NE 3.16Å; E122-R126 IonicContact OE1-NH2 2.69Å; E122-R126 PolarHBondContact OE1-NH2 3.42Å; E122-R126 IonicContact OE2-NH2 3.74Å; L123-R126 PolarHBondContact O-N 3.32Å; G124-R126 PolarHBondContact O-N 2.89Å; R126-G129 PolarHBondContact O-N 3.38Å; R126-F130 WeakPolarHBondContact O-CB 3.45Å; R126-F130 PolarHBondContact O-N 3.35Å; R126-Q193 HydrophobicContact CG-CG 4.1Å; R126-Q193 VanDerWaalsContact CG-NE2 3.34Å |
| 127 | F | 95.4 | Very high | 93.6 | Very high | 94 Ų | 94 | 48.2 Ų | 48.2 | 41% | 0.412 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.9 | -45.6 | 179.1 | 178.8 | -106.9 | 0 | 0 | 0 | 112.2 | L123 G124 E125 F130 L131 W188 | L123-F127 WeakPolarHBondContact O-CB 3.42Å; L123-F127 PolarHBondContact O-N 2.88Å; G124-F127 PolarHBondContact O-N 2.94Å; E125-F127 VanDerWaalsContact C-N 3.33Å; E125-F127 PolarHBondContact O-N 3.45Å; F127-F130 WeakPolarHBondContact O-CB 3.35Å; F127-F130 PolarHBondContact O-N 2.94Å; F127-L131 HydrophobicContact CE1-CD2 4.22Å; F127-L131 HydrophobicContact CZ-CD2 4.44Å; F127-L131 VanDerWaalsContact O-CB 3.31Å; F127-L131 WeakPolarHBondContact O-CB 3.34Å; F127-L131 PolarHBondContact O-N 3.38Å; F127-W188 HydrophobicContact CB-CH2 4.26Å; F127-W188 AromaticContact CD2-CH2 3.73Å; F127-W188 HydrophobicContact CD2-CH2 3.73Å; F127-W188 AromaticContact CD2-CZ2 3.65Å; F127-W188 HydrophobicContact CD2-CZ2 3.65Å; F127-W188 HydrophobicContact CE2-CZ2 4.34Å; F127-W188 HydrophobicContact CG-CH2 4.47Å |
| 128 | V | 96.1 | Very high | 93.9 | Very high | 18 Ų | 18 | 42.2 Ų | 42.2 | 11% | 0.109 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.9 | -40.8 | 178.8 | 180 | 0 | 0 | 0 | 0 | 111 | I104 Y108 G124 E125 L131 R132 W203 | I104-V128 HydrophobicContact CG1-CG1 4.34Å; I104-V128 HydrophobicContact CG2-CG1 3.55Å; Y108-V128 HydrophobicContact CD1-CG1 3.72Å; Y108-V128 HydrophobicContact CD2-CB 4.26Å; Y108-V128 HydrophobicContact CD2-CG1 4.07Å; Y108-V128 HydrophobicContact CD2-CG2 3.82Å; Y108-V128 HydrophobicContact CE1-CG1 4.11Å; Y108-V128 HydrophobicContact CE2-CB 4.35Å; Y108-V128 HydrophobicContact CE2-CG1 4.45Å; Y108-V128 HydrophobicContact CE2-CG2 4.16Å; Y108-V128 HydrophobicContact CG-CB 4.4Å; Y108-V128 HydrophobicContact CG-CG1 3.71Å; Y108-V128 HydrophobicContact CG-CG2 4.24Å; G124-V128 VanDerWaalsContact O-CG2 3.31Å; G124-V128 WeakPolarHBondContact O-CG2 3.41Å; G124-V128 PolarHBondContact O-N 2.92Å; E125-V128 PolarHBondContact O-N 2.98Å; V128-L131 PolarHBondContact O-N 2.94Å; V128-R132 WeakPolarHBondContact O-CB 3.44Å; V128-R132 PolarHBondContact O-N 2.88Å; V128-W203 HydrophobicContact CG1-CH2 3.84Å; V128-W203 HydrophobicContact CG1-CZ2 4.41Å |
| 129 | G | 94.6 | Very high | 94.3 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.2 | -48.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | E125 R126 Q133 F194 | E125-G129 PolarHBondContact O-N 3.14Å; R126-G129 PolarHBondContact O-N 3.38Å; G129-Q133 WeakPolarHBondContact O-CB 3.33Å; G129-Q133 PolarHBondContact O-N 2.86Å; G129-Q133 VanDerWaalsContact O-N 3.1Å; G129-F194 VanDerWaalsContact CA-O 3.26Å; G129-F194 WeakPolarHBondContact CA-O 3.45Å |
| 130 | F | 96.1 | Very high | 94.6 | Very high | 30 Ų | 30 | 36.1 Ų | 36.1 | 13% | 0.132 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -56.4 | -51.3 | 172.4 | 166.9 | -95.1 | 0 | 0 | 0 | 111.7 | R126 F127 R132 Q133 F134 S184 H187 W188 | R126-F130 WeakPolarHBondContact O-CB 3.45Å; R126-F130 PolarHBondContact O-N 3.35Å; F127-F130 WeakPolarHBondContact O-CB 3.35Å; F127-F130 PolarHBondContact O-N 2.94Å; F130-R132 VanDerWaalsContact C-N 3.35Å; F130-R132 PolarHBondContact O-N 3.06Å; F130-Q133 PolarHBondContact O-N 3.08Å; F130-Q133 VanDerWaalsContact O-N 3.16Å; F130-F134 HydrophobicContact CE1-CB 4.4Å; F130-F134 HydrophobicContact CZ-CB 4.41Å; F130-F134 WeakPolarHBondContact O-CB 3.11Å; F130-F134 PolarHBondContact O-N 3.21Å; F130-S184 VanDerWaalsContact CD2-O 3.29Å; F130-S184 WeakPolarHBondContact CD2-O 3.41Å; F130-H187 HydrophobicContact CB-CB 4.41Å; F130-W188 HydrophobicContact CD1-CZ2 4.41Å; F130-W188 AromaticContact CD1-NE1 3.6Å; F130-W188 AromaticContact CD2-CD1 3.38Å; F130-W188 HydrophobicContact CD2-CG 4.49Å; F130-W188 AromaticContact CD2-NE1 3.26Å; F130-W188 VanDerWaalsContact CD2-NE1 3.26Å; F130-W188 AromaticContact CE1-NE1 3.83Å; F130-W188 AromaticContact CE2-CD1 3.74Å; F130-W188 AromaticContact CE2-NE1 3.52Å; F130-W188 AromaticContact CG-CD1 3.82Å; F130-W188 AromaticContact CG-NE1 3.31Å; F130-W188 VanDerWaalsContact CG-NE1 3.31Å; F130-W188 AromaticContact CZ-NE1 3.8Å |
| 131 | L | 97 | Very high | 95 | Very high | 44 Ų | 44 | 33.2 Ų | 33.2 | 23% | 0.23 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.6 | -39.5 | -174.5 | -173.7 | 66.4 | 0 | 0 | 0 | 112 | I100 I104 F127 V128 F134 A135 | I100-L131 HydrophobicContact CG2-CD1 4.24Å; I100-L131 HydrophobicContact CG2-CD2 4.23Å; I100-L131 HydrophobicContact CG2-CG 3.89Å; I104-L131 HydrophobicContact CD1-CB 4.18Å; I104-L131 HydrophobicContact CD1-CD2 4.09Å; I104-L131 HydrophobicContact CD1-CG 4.01Å; I104-L131 HydrophobicContact CG1-CD2 4.44Å; F127-L131 HydrophobicContact CE1-CD2 4.22Å; F127-L131 HydrophobicContact CZ-CD2 4.44Å; F127-L131 VanDerWaalsContact O-CB 3.31Å; F127-L131 WeakPolarHBondContact O-CB 3.34Å; F127-L131 PolarHBondContact O-N 3.38Å; V128-L131 PolarHBondContact O-N 2.94Å; L131-F134 HydrophobicContact CD1-CD1 4Å; L131-A135 WeakPolarHBondContact O-CB 3.49Å; L131-A135 PolarHBondContact O-N 2.85Å |
| 132 | R | 96.1 | Very high | 95.3 | Very high | 31 Ų | 31 | 31.4 Ų | 31.4 | 12% | 0.117 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -58.7 | -51.8 | 172.8 | -173.7 | -74.3 | -169.6 | 171.3 | -7.4 | 109.8 | I104 V128 F130 F134 A135 Y136 F194 W203 | I104-R132 HydrophobicContact CD1-CB 3.89Å; V128-R132 WeakPolarHBondContact O-CB 3.44Å; V128-R132 PolarHBondContact O-N 2.88Å; F130-R132 VanDerWaalsContact C-N 3.35Å; F130-R132 PolarHBondContact O-N 3.06Å; R132-F134 VanDerWaalsContact C-N 3.32Å; R132-F134 PolarHBondContact O-N 2.69Å; R132-A135 PolarHBondContact O-N 2.73Å; R132-Y136 WeakPolarHBondContact O-CB 2.91Å; R132-Y136 PolarHBondContact O-N 3.23Å; R132-F194 HydrophobicContact CG-CE1 4.5Å; R132-F194 VanDerWaalsContact NH1-CE1 3.25Å; R132-F194 VanDerWaalsContact NH1-CZ 3.31Å; R132-W203 HydrophobicContact CG-CD2 4.41Å; R132-W203 HydrophobicContact CG-CZ2 4.39Å |
| 133 | Q | 96 | Very high | 95.4 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -68.5 | -35.3 | -175.2 | -153.1 | 59.7 | 10.5 | 0 | 0 | 112.3 | G129 F130 Y136 F137 S184 E219 | G129-Q133 WeakPolarHBondContact O-CB 3.33Å; G129-Q133 PolarHBondContact O-N 2.86Å; G129-Q133 VanDerWaalsContact O-N 3.1Å; F130-Q133 PolarHBondContact O-N 3.08Å; F130-Q133 VanDerWaalsContact O-N 3.16Å; Q133-Y136 PolarHBondContact O-N 2.73Å; Q133-F137 HydrophobicContact CG-CD2 3.72Å; Q133-F137 HydrophobicContact CG-CE2 3.5Å; Q133-F137 WeakPolarHBondContact O-CD2 3.33Å; Q133-F137 PolarHBondContact O-N 3.5Å; Q133-S184 PolarHBondContact O-OG 3.41Å; Q133-E219 PolarHBondContact NE2-OE1 3.49Å; Q133-E219 PolarHBondContact NE2-OE2 3.45Å |
| 134 | F | 97.9 | Very high | 95.6 | Very high | 38 Ų | 38 | 22.4 Ų | 22.4 | 17% | 0.167 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -58 | -51.8 | 172.8 | 162.9 | -106.9 | 0 | 0 | 0 | 111.4 | F130 L131 R132 Y136 S138 W177 A181 S184 | F130-F134 HydrophobicContact CE1-CB 4.4Å; F130-F134 HydrophobicContact CZ-CB 4.41Å; F130-F134 WeakPolarHBondContact O-CB 3.11Å; F130-F134 PolarHBondContact O-N 3.21Å; L131-F134 HydrophobicContact CD1-CD1 4Å; R132-F134 VanDerWaalsContact C-N 3.32Å; R132-F134 PolarHBondContact O-N 2.69Å; F134-Y136 VanDerWaalsContact C-N 3.33Å; F134-Y136 PolarHBondContact O-N 2.94Å; F134-S138 VanDerWaalsContact O-CB 3.22Å; F134-S138 WeakPolarHBondContact O-CB 3.37Å; F134-S138 PolarHBondContact O-N 3.18Å; F134-S138 PolarHBondContact O-OG 3.44Å; F134-W177 HydrophobicContact CD1-CZ3 4.33Å; F134-W177 AromaticContact CE1-CE3 3.65Å; F134-W177 HydrophobicContact CE1-CE3 3.65Å; F134-W177 AromaticContact CE1-CZ3 3.46Å; F134-W177 HydrophobicContact CE1-CZ3 3.46Å; F134-W177 VanDerWaalsContact CE1-CZ3 3.46Å; F134-W177 AromaticContact CE2-CE3 3.81Å; F134-W177 HydrophobicContact CE2-CE3 3.81Å; F134-W177 HydrophobicContact CE2-CZ3 4.43Å; F134-W177 WeakPolarHBondContact CE2-O 3.46Å; F134-W177 HydrophobicContact CZ-CD2 4.28Å; F134-W177 AromaticContact CZ-CE3 3.18Å; F134-W177 HydrophobicContact CZ-CE3 3.18Å; F134-W177 AromaticContact CZ-CZ3 3.55Å; F134-W177 HydrophobicContact CZ-CZ3 3.55Å; F134-A181 HydrophobicContact CD2-CB 3.98Å; F134-A181 HydrophobicContact CE2-CB 3.92Å; F134-S184 WeakPolarHBondContact CA-OG 3.36Å; F134-S184 PolarHBondContact N-OG 2.98Å |
| 135 | A | 97.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -64.8 | -39.1 | 178 | 0 | 0 | 0 | 0 | 0 | 111.6 | C97 I100 I101 L131 R132 G139 | C97-A135 HydrophobicContact CB-CB 4.49Å; C97-A135 WeakPolarHBondContact CB-O 3.26Å; I100-A135 HydrophobicContact CB-CB 3.94Å; I100-A135 HydrophobicContact CD1-CB 4.5Å; I100-A135 HydrophobicContact CG2-CB 3.76Å; I101-A135 HydrophobicContact CD1-CB 4.27Å; I101-A135 HydrophobicContact CG1-CB 3.79Å; L131-A135 WeakPolarHBondContact O-CB 3.49Å; L131-A135 PolarHBondContact O-N 2.85Å; R132-A135 PolarHBondContact O-N 2.73Å; A135-G139 PolarHBondContact O-N 3.47Å |
| 136 | Y | 95.6 | Very high | 95.8 | Very high | 35 Ų | 35 | 21.8 Ų | 21.8 | 14% | 0.137 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -61.3 | -53.9 | 178.1 | 174.5 | -103.6 | 0 | 0 | 0 | 112.5 | R132 Q133 F134 G139 L140 N223 | R132-Y136 WeakPolarHBondContact O-CB 2.91Å; R132-Y136 PolarHBondContact O-N 3.23Å; Q133-Y136 PolarHBondContact O-N 2.73Å; F134-Y136 VanDerWaalsContact C-N 3.33Å; F134-Y136 PolarHBondContact O-N 2.94Å; Y136-G139 PolarHBondContact O-N 3.21Å; Y136-L140 PolarHBondContact O-N 3.11Å; Y136-N223 PolarHBondContact OH-ND2 3Å; Y136-N223 PolarHBondContact OH-OD1 2.83Å |
| 137 | F | 96.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -71 | -36.5 | -178.7 | -76.8 | -60.9 | 0 | 0 | 0 | 113.2 | Q133 G139 L140 F141 F179 V183 E219 I222 | Q133-F137 HydrophobicContact CG-CD2 3.72Å; Q133-F137 HydrophobicContact CG-CE2 3.5Å; Q133-F137 WeakPolarHBondContact O-CD2 3.33Å; Q133-F137 PolarHBondContact O-N 3.5Å; F137-G139 VanDerWaalsContact C-N 3.31Å; F137-G139 PolarHBondContact O-N 2.88Å; F137-L140 HydrophobicContact CD1-CD2 4.25Å; F137-L140 PolarHBondContact O-N 3.38Å; F137-F141 PolarHBondContact O-N 3.47Å; F137-F179 HydrophobicContact CB-CE1 4.3Å; F137-V183 HydrophobicContact CD1-CG1 4.25Å; F137-V183 HydrophobicContact CD2-CB 4.05Å; F137-V183 HydrophobicContact CD2-CG1 3.45Å; F137-V183 VanDerWaalsContact CD2-CG1 3.45Å; F137-V183 HydrophobicContact CE1-CG1 4.19Å; F137-V183 HydrophobicContact CE2-CB 4.39Å; F137-V183 HydrophobicContact CE2-CG1 3.33Å; F137-V183 HydrophobicContact CG-CB 4.32Å; F137-V183 HydrophobicContact CG-CG1 3.92Å; F137-V183 HydrophobicContact CZ-CG1 3.74Å; F137-E219 WeakPolarHBondContact CE2-OE1 3.27Å; F137-E219 HydrophobicContact CZ-CB 4.12Å; F137-E219 HydrophobicContact CZ-CG 3.86Å; F137-E219 WeakPolarHBondContact CZ-OE1 3.41Å; F137-I222 HydrophobicContact CD1-CG2 4.16Å; F137-I222 HydrophobicContact CE1-CB 4.39Å; F137-I222 HydrophobicContact CE1-CD1 4.39Å; F137-I222 HydrophobicContact CE1-CG2 3.89Å |
| 138 | S | 98 | Very high | 95.9 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -58.8 | -48.4 | 171.6 | -58.4 | 0 | 0 | 0 | 0 | 110 | F134 L140 F141 H142 G180 | F134-S138 VanDerWaalsContact O-CB 3.22Å; F134-S138 WeakPolarHBondContact O-CB 3.37Å; F134-S138 PolarHBondContact O-N 3.18Å; F134-S138 PolarHBondContact O-OG 3.44Å; S138-L140 VanDerWaalsContact C-N 3.35Å; S138-L140 PolarHBondContact O-N 2.81Å; S138-F141 WeakPolarHBondContact O-CB 3.28Å; S138-F141 PolarHBondContact O-N 3.49Å; S138-H142 PolarHBondContact O-N 3.13Å; S138-H142 PolarHBondContact O-ND1 3.14Å; S138-H142 VanDerWaalsContact O-ND1 3.11Å; S138-G180 WeakPolarHBondContact OG-CA 3.25Å |
| 139 | G | 95.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -61.6 | -40.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | R94 A135 Y136 F137 F141 H142 V143 | R94-G139 WeakPolarHBondContact CD-O 3.38Å; R94-G139 VanDerWaalsContact NH1-CA 3.27Å; R94-G139 PolarHBondContact NH1-O 3.4Å; A135-G139 PolarHBondContact O-N 3.47Å; Y136-G139 PolarHBondContact O-N 3.21Å; F137-G139 VanDerWaalsContact C-N 3.31Å; F137-G139 PolarHBondContact O-N 2.88Å; G139-F141 VanDerWaalsContact C-N 3.33Å; G139-H142 PolarHBondContact O-N 3.31Å; G139-V143 WeakPolarHBondContact O-CG2 3.45Å; G139-V143 PolarHBondContact O-N 3.23Å |
| 140 | L | 95.1 | Very high | 95.6 | Very high | 6 Ų | 6 | 16.5 Ų | 16.5 | 3% | 0.031 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -60.6 | -45.4 | 176.6 | 179.3 | 63.9 | 0 | 0 | 0 | 110.6 | Y136 F137 S138 H142 V143 V144 I222 A226 L277 | Y136-L140 PolarHBondContact O-N 3.11Å; F137-L140 HydrophobicContact CD1-CD2 4.25Å; F137-L140 PolarHBondContact O-N 3.38Å; S138-L140 VanDerWaalsContact C-N 3.35Å; S138-L140 PolarHBondContact O-N 2.81Å; L140-H142 PolarHBondContact O-N 3.32Å; L140-V143 WeakPolarHBondContact O-CB 3.22Å; L140-V143 PolarHBondContact O-N 2.98Å; L140-V144 PolarHBondContact O-N 3.14Å; L140-V144 VanDerWaalsContact O-N 3.16Å; L140-I222 HydrophobicContact CD2-CG2 4.09Å; L140-A226 HydrophobicContact CD1-CB 3.87Å; L140-A226 HydrophobicContact CD2-CB 4.05Å; L140-A226 HydrophobicContact CG-CB 4.05Å; L140-L277 HydrophobicContact CD1-CD2 3.7Å |
| 141 | F | 96.9 | Very high | 95.5 | Very high | 57 Ų | 57 | 17.5 Ų | 17.5 | 25% | 0.25 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -61.6 | -43.8 | 176.2 | -169.7 | -87.2 | 0 | 0 | 0 | 111.9 | F137 S138 G139 V143 V144 L145 F179 | F137-F141 PolarHBondContact O-N 3.47Å; S138-F141 WeakPolarHBondContact O-CB 3.28Å; S138-F141 PolarHBondContact O-N 3.49Å; G139-F141 VanDerWaalsContact C-N 3.33Å; F141-V143 VanDerWaalsContact C-N 3.29Å; F141-V143 PolarHBondContact O-N 3.35Å; F141-V144 PolarHBondContact O-N 3.16Å; F141-V144 VanDerWaalsContact O-N 3.15Å; F141-L145 HydrophobicContact CD1-CD1 3.62Å; F141-L145 HydrophobicContact CD1-CG 3.81Å; F141-L145 HydrophobicContact CE1-CD1 3.43Å; F141-L145 VanDerWaalsContact CE1-CD1 3.43Å; F141-L145 HydrophobicContact CE1-CD2 4.02Å; F141-L145 HydrophobicContact CE1-CG 3.63Å; F141-L145 HydrophobicContact CZ-CG 4.49Å; F141-L145 PolarHBondContact O-N 3.03Å; F141-F179 HydrophobicContact CB-CD1 3.91Å; F141-F179 HydrophobicContact CB-CE1 4.4Å; F141-F179 HydrophobicContact CD2-CB 4.22Å; F141-F179 AromaticContact CD2-CD1 3.77Å; F141-F179 HydrophobicContact CD2-CD1 3.77Å; F141-F179 HydrophobicContact CD2-CD2 4.49Å; F141-F179 HydrophobicContact CD2-CE1 4.27Å; F141-F179 AromaticContact CD2-CG 3.9Å; F141-F179 HydrophobicContact CD2-CG 3.9Å; F141-F179 HydrophobicContact CE2-CG 4.4Å; F141-F179 HydrophobicContact CG-CD1 4.16Å |
| 142 | H | 95.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -62.8 | -33.6 | 176.4 | -62 | 136.3 | 0 | 0 | 0 | 112.4 | S93 R94 S138 G139 L140 L145 I146 I173 W177 | S93-H142 PolarHBondContact OG-CE1 3.47Å; S93-H142 PolarHBondContact OG-ND1 3.06Å; S93-H142 PolarHBondContact OG-NE2 3Å; R94-H142 HydrophobicContact CB-CB 4.3Å; S138-H142 PolarHBondContact O-N 3.13Å; S138-H142 PolarHBondContact O-ND1 3.14Å; S138-H142 VanDerWaalsContact O-ND1 3.11Å; G139-H142 PolarHBondContact O-N 3.31Å; L140-H142 PolarHBondContact O-N 3.32Å; H142-L145 PolarHBondContact O-N 3.22Å; H142-I146 VanDerWaalsContact O-CG1 3.22Å; H142-I146 WeakPolarHBondContact O-CG1 3.3Å; H142-I146 PolarHBondContact O-N 3.44Å; H142-I173 PolarHBondContact NE2-O 2.96Å; H142-I173 VanDerWaalsContact NE2-O 3.13Å; H142-W177 AromaticContact CE1-CE2 3.88Å; H142-W177 AromaticContact CE1-NE1 3.71Å |
| 143 | V | 93.9 | Very high | 94.9 | Very high | 8 Ų | 8 | 15.8 Ų | 15.8 | 5% | 0.048 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -63.3 | -43.9 | 172.8 | 171.3 | 0 | 0 | 0 | 0 | 111.2 | G139 L140 F141 I146 A147 L230 L277 | G139-V143 WeakPolarHBondContact O-CG2 3.45Å; G139-V143 PolarHBondContact O-N 3.23Å; L140-V143 WeakPolarHBondContact O-CB 3.22Å; L140-V143 PolarHBondContact O-N 2.98Å; F141-V143 VanDerWaalsContact C-N 3.29Å; F141-V143 PolarHBondContact O-N 3.35Å; V143-I146 PolarHBondContact O-N 2.93Å; V143-A147 PolarHBondContact O-N 3.15Å; V143-L230 HydrophobicContact CG1-CD1 3.94Å; V143-L230 HydrophobicContact CG1-CD2 4.04Å; V143-L277 HydrophobicContact CG1-CD2 4.31Å |
| 144 | V | 96.1 | Very high | 94.5 | Very high | 28 Ų | 28 | 16.5 Ų | 16.5 | 17% | 0.17 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -62.2 | -44.5 | 174.7 | 177.3 | 0 | 0 | 0 | 0 | 110.9 | L140 F141 I146 A147 V148 A226 T229 L230 | L140-V144 PolarHBondContact O-N 3.14Å; L140-V144 VanDerWaalsContact O-N 3.16Å; F141-V144 PolarHBondContact O-N 3.16Å; F141-V144 VanDerWaalsContact O-N 3.15Å; V144-I146 VanDerWaalsContact C-N 3.34Å; V144-I146 PolarHBondContact O-N 3.5Å; V144-A147 WeakPolarHBondContact O-CB 3.47Å; V144-A147 PolarHBondContact O-N 2.89Å; V144-A147 VanDerWaalsContact O-N 3.15Å; V144-V148 HydrophobicContact CG1-CG2 4.41Å; V144-V148 WeakPolarHBondContact O-CG2 3.46Å; V144-V148 PolarHBondContact O-N 3.36Å; V144-A226 HydrophobicContact CG2-CB 4.08Å; V144-T229 HydrophobicContact CG1-CG2 4.12Å; V144-L230 HydrophobicContact CG2-CD2 4.22Å; V144-L230 HydrophobicContact CG2-CG 4.25Å |
| 145 | L | 95.5 | Very high | 94.1 | Very high | 17 Ų | 17 | 16.2 Ų | 16.2 | 9% | 0.089 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -61.4 | -40.2 | 176.3 | -75.7 | 179.9 | 0 | 0 | 0 | 112.9 | M90 F141 H142 A147 V148 N149 F172 | M90-L145 HydrophobicContact SD-CB 3.65Å; F141-L145 HydrophobicContact CD1-CD1 3.62Å; F141-L145 HydrophobicContact CD1-CG 3.81Å; F141-L145 HydrophobicContact CE1-CD1 3.43Å; F141-L145 VanDerWaalsContact CE1-CD1 3.43Å; F141-L145 HydrophobicContact CE1-CD2 4.02Å; F141-L145 HydrophobicContact CE1-CG 3.63Å; F141-L145 HydrophobicContact CZ-CG 4.49Å; F141-L145 PolarHBondContact O-N 3.03Å; H142-L145 PolarHBondContact O-N 3.22Å; L145-A147 VanDerWaalsContact C-N 3.31Å; L145-A147 PolarHBondContact O-N 2.88Å; L145-V148 PolarHBondContact O-N 3.35Å; L145-N149 VanDerWaalsContact O-CB 3.3Å; L145-N149 WeakPolarHBondContact O-CB 3.46Å; L145-N149 PolarHBondContact O-N 2.99Å; L145-F172 HydrophobicContact CD1-CB 3.87Å; L145-F172 VanDerWaalsContact CD1-O 3.27Å; L145-F172 WeakPolarHBondContact CD1-O 3.37Å; L145-F172 HydrophobicContact CD2-CB 4.23Å; L145-F172 HydrophobicContact CD2-CG 4.43Å |
| 146 | I | 93.4 | Very high | 93.8 | Very high | 7 Ų | 7 | 18.8 Ų | 18.8 | 4% | 0.036 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -59.6 | -45.2 | 174.2 | -71.8 | 163.7 | 0 | 0 | 0 | 109.7 | Y87 M90 V91 H142 V143 V144 N149 R150 A270 | Y87-I146 HydrophobicContact CD2-CG2 4.34Å; Y87-I146 HydrophobicContact CE2-CG2 3.8Å; M90-I146 HydrophobicContact CB-CD1 4.32Å; M90-I146 HydrophobicContact CB-CG1 3.7Å; V91-I146 HydrophobicContact CG2-CD1 3.95Å; V91-I146 HydrophobicContact CG2-CG1 4.48Å; H142-I146 VanDerWaalsContact O-CG1 3.22Å; H142-I146 WeakPolarHBondContact O-CG1 3.3Å; H142-I146 PolarHBondContact O-N 3.44Å; V143-I146 PolarHBondContact O-N 2.93Å; V144-I146 VanDerWaalsContact C-N 3.34Å; V144-I146 PolarHBondContact O-N 3.5Å; I146-N149 WeakPolarHBondContact O-CB 3.25Å; I146-N149 PolarHBondContact O-N 3.38Å; I146-R150 WeakPolarHBondContact O-CG 3.09Å; I146-R150 PolarHBondContact O-N 3.1Å; I146-A270 HydrophobicContact CG2-CB 4.22Å |
| 147 | A | 94.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -61.8 | -46.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | V143 V144 L145 N149 R150 Y151 L230 I233 Y234 | V143-A147 PolarHBondContact O-N 3.15Å; V144-A147 WeakPolarHBondContact O-CB 3.47Å; V144-A147 PolarHBondContact O-N 2.89Å; V144-A147 VanDerWaalsContact O-N 3.15Å; L145-A147 VanDerWaalsContact C-N 3.31Å; L145-A147 PolarHBondContact O-N 2.88Å; A147-N149 VanDerWaalsContact C-N 3.29Å; A147-N149 PolarHBondContact O-N 3.16Å; A147-R150 WeakPolarHBondContact O-CB 3.28Å; A147-R150 PolarHBondContact O-N 3.4Å; A147-R150 VanDerWaalsContact O-N 3.13Å; A147-Y151 PolarHBondContact O-N 2.99Å; A147-L230 HydrophobicContact CB-CD2 3.44Å; A147-L230 VanDerWaalsContact CB-CD2 3.44Å; A147-I233 HydrophobicContact CB-CB 4.5Å; A147-I233 HydrophobicContact CB-CD1 4.36Å; A147-I233 HydrophobicContact CB-CG2 3.85Å; A147-I233 WeakPolarHBondContact O-CG2 3.26Å; A147-Y234 HydrophobicContact CB-CE1 4.26Å; A147-Y234 HydrophobicContact CB-CE2 3.79Å; A147-Y234 WeakPolarHBondContact CB-OH 3.42Å |
| 148 | V | 95.4 | Very high | 92.9 | Very high | 40 Ų | 40 | 26.1 Ų | 26.1 | 24% | 0.242 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59.1 | -42.9 | 175.1 | 175.3 | 0 | 0 | 0 | 0 | 110.4 | V144 L145 R150 Y151 F152 F164 I233 | V144-V148 HydrophobicContact CG1-CG2 4.41Å; V144-V148 WeakPolarHBondContact O-CG2 3.46Å; V144-V148 PolarHBondContact O-N 3.36Å; L145-V148 PolarHBondContact O-N 3.35Å; V148-R150 VanDerWaalsContact C-N 3.32Å; V148-R150 PolarHBondContact O-N 3.32Å; V148-Y151 WeakPolarHBondContact O-CB 3.43Å; V148-Y151 PolarHBondContact O-N 3.43Å; V148-Y151 VanDerWaalsContact O-N 3.12Å; V148-F152 HydrophobicContact CG1-CD2 3.79Å; V148-F152 HydrophobicContact CG1-CE2 3.73Å; V148-F152 WeakPolarHBondContact O-CD2 3.32Å; V148-F152 PolarHBondContact O-N 3.4Å; V148-F164 HydrophobicContact CG1-CE2 4.4Å; V148-F164 HydrophobicContact CG1-CZ 4.07Å; V148-I233 HydrophobicContact CG2-CD1 3.64Å |
| 149 | N | 93 | Very high | 92.5 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.3 | -42.1 | 175.6 | 179 | -95.5 | 0 | 0 | 0 | 112.3 | M90 L145 I146 A147 F152 G153 Y160 F164 | M90-N149 HydrophobicContact CE-CB 3.59Å; M90-N149 HydrophobicContact SD-CB 4.32Å; L145-N149 VanDerWaalsContact O-CB 3.3Å; L145-N149 WeakPolarHBondContact O-CB 3.46Å; L145-N149 PolarHBondContact O-N 2.99Å; I146-N149 WeakPolarHBondContact O-CB 3.25Å; I146-N149 PolarHBondContact O-N 3.38Å; A147-N149 VanDerWaalsContact C-N 3.29Å; A147-N149 PolarHBondContact O-N 3.16Å; N149-F152 PolarHBondContact O-N 3.24Å; N149-G153 PolarHBondContact O-N 2.87Å; N149-Y160 WeakPolarHBondContact ND2-CE2 3.26Å; N149-Y160 PolarHBondContact ND2-OH 3.44Å; N149-Y160 VanDerWaalsContact ND2-OH 3.14Å; N149-Y160 WeakPolarHBondContact O-CE2 3.5Å; N149-F164 VanDerWaalsContact CA-CZ 3.5Å; N149-F164 HydrophobicContact CB-CD1 4.33Å; N149-F164 HydrophobicContact CB-CE1 3.81Å; N149-F164 HydrophobicContact CB-CE2 4.17Å; N149-F164 HydrophobicContact CB-CZ 3.72Å; N149-F164 WeakPolarHBondContact ND2-CD1 3.42Å; N149-F164 WeakPolarHBondContact ND2-CG 3.46Å |
| 150 | R | 92.2 | Very high | 92.2 | Very high | 5 Ų | 5 | 34.8 Ų | 34.8 | 2% | 0.019 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.8 | -41.6 | 173.3 | -62.4 | -58.3 | 80.4 | -154.9 | -1.3 | 111.8 | I146 A147 V148 F152 G153 V154 E263 L266 A270 | I146-R150 WeakPolarHBondContact O-CG 3.09Å; I146-R150 PolarHBondContact O-N 3.1Å; A147-R150 WeakPolarHBondContact O-CB 3.28Å; A147-R150 PolarHBondContact O-N 3.4Å; A147-R150 VanDerWaalsContact O-N 3.13Å; V148-R150 VanDerWaalsContact C-N 3.32Å; V148-R150 PolarHBondContact O-N 3.32Å; R150-F152 PolarHBondContact O-N 3.28Å; R150-G153 PolarHBondContact O-N 3.29Å; R150-V154 WeakPolarHBondContact O-CB 3.1Å; R150-V154 WeakPolarHBondContact O-CG2 3.41Å; R150-V154 PolarHBondContact O-N 2.92Å; R150-E263 IonicContact CZ-OE2 2.73Å; R150-E263 IonicContact NH1-OE2 3.87Å; R150-E263 PolarHBondContact NH1-OE2 3.34Å; R150-L266 VanDerWaalsContact NH1-CD1 3.34Å; R150-A270 HydrophobicContact CG-CB 4.4Å |
| 151 | Y | 93.8 | Very high | 91.7 | Very high | 52 Ų | 52 | 38.5 Ų | 38.5 | 20% | 0.204 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -56 | -50.9 | 174.4 | 176.5 | -99 | 0 | 0 | 0 | 112.2 | A147 V148 G153 V154 C155 Q156 K236 V237 | A147-Y151 PolarHBondContact O-N 2.99Å; V148-Y151 WeakPolarHBondContact O-CB 3.43Å; V148-Y151 PolarHBondContact O-N 3.43Å; V148-Y151 VanDerWaalsContact O-N 3.12Å; Y151-G153 VanDerWaalsContact C-N 3.33Å; Y151-G153 PolarHBondContact O-N 3Å; Y151-V154 PolarHBondContact O-N 2.99Å; Y151-C155 HydrophobicContact CD2-CB 3.86Å; Y151-C155 HydrophobicContact CE2-CB 3.6Å; Y151-C155 HydrophobicContact CG-CB 4.43Å; Y151-C155 WeakPolarHBondContact O-CA 3.45Å; Y151-C155 WeakPolarHBondContact O-CB 3.41Å; Y151-C155 PolarHBondContact O-N 3.34Å; Y151-Q156 HydrophobicContact CE1-CG 4Å; Y151-Q156 PolarHBondContact OH-NE2 3.3Å; Y151-Q156 VanDerWaalsContact OH-NE2 3.17Å; Y151-K236 HydrophobicContact CD2-CB 4.24Å; Y151-K236 HydrophobicContact CE2-CB 4.11Å; Y151-K236 HydrophobicContact CE2-CD 3.95Å; Y151-V237 HydrophobicContact CD2-CG2 4.49Å |
| 152 | F | 92 | Very high | 91.4 | Very high | 34 Ų | 34 | 40.9 Ų | 40.9 | 15% | 0.149 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.7 | -36.4 | 177.9 | -79.8 | -89.5 | 0 | 0 | 0 | 112.1 | V148 N149 R150 V154 Q156 L157 R159 Y160 M163 F164 | V148-F152 HydrophobicContact CG1-CD2 3.79Å; V148-F152 HydrophobicContact CG1-CE2 3.73Å; V148-F152 WeakPolarHBondContact O-CD2 3.32Å; V148-F152 PolarHBondContact O-N 3.4Å; N149-F152 PolarHBondContact O-N 3.24Å; R150-F152 PolarHBondContact O-N 3.28Å; F152-V154 VanDerWaalsContact C-N 3.3Å; F152-V154 PolarHBondContact O-N 2.93Å; F152-Q156 HydrophobicContact CD1-CB 3.85Å; F152-Q156 HydrophobicContact CE1-CB 4.41Å; F152-Q156 CarbonylContact O-C 3.54Å; F152-Q156 PolarHBondContact O-N 3.47Å; F152-L157 PolarHBondContact O-N 2.89Å; F152-R159 HydrophobicContact CD1-CB 4.24Å; F152-R159 HydrophobicContact CE1-CB 4.31Å; F152-Y160 HydrophobicContact CB-CD2 3.75Å; F152-M163 HydrophobicContact CD1-CG 4.26Å; F152-M163 HydrophobicContact CE1-CG 3.91Å; F152-M163 HydrophobicContact CZ-CG 4.37Å; F152-F164 HydrophobicContact CB-CD2 4.09Å; F152-F164 HydrophobicContact CB-CE2 3.95Å; F152-F164 AromaticContact CD2-CE2 3.73Å; F152-F164 HydrophobicContact CD2-CE2 3.73Å; F152-F164 HydrophobicContact CG-CD2 4.42Å; F152-F164 HydrophobicContact CG-CE2 4.01Å |
| 153 | G | 87.6 | Confident | 91.1 | Very high | 5 Ų | 5 | 44.8 Ų | 44.8 | 5% | 0.052 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.7 | -31.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | N149 R150 Y151 L157 Y160 | N149-G153 PolarHBondContact O-N 2.87Å; R150-G153 PolarHBondContact O-N 3.29Å; Y151-G153 VanDerWaalsContact C-N 3.33Å; Y151-G153 PolarHBondContact O-N 3Å; G153-L157 WeakPolarHBondContact O-CD1 3.18Å; G153-Y160 VanDerWaalsContact CA-CD2 3.5Å; G153-Y160 VanDerWaalsContact N-CD2 3.31Å |
| 154 | V | 88.7 | Confident | 91 | Very high | 14 Ų | 14 | 44.9 Ų | 44.9 | 9% | 0.085 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -103.7 | -45 | -175.9 | 175.3 | 0 | 0 | 0 | 0 | 112.8 | R150 Y151 F152 L157 V237 Q240 L241 E263 | R150-V154 WeakPolarHBondContact O-CB 3.1Å; R150-V154 WeakPolarHBondContact O-CG2 3.41Å; R150-V154 PolarHBondContact O-N 2.92Å; Y151-V154 PolarHBondContact O-N 2.99Å; F152-V154 VanDerWaalsContact C-N 3.3Å; F152-V154 PolarHBondContact O-N 2.93Å; V154-L157 WeakPolarHBondContact O-CD1 3.4Å; V154-V237 HydrophobicContact CB-CG1 4.34Å; V154-V237 HydrophobicContact CG1-CG1 4.34Å; V154-V237 HydrophobicContact CG2-CG1 4.17Å; V154-Q240 HydrophobicContact CG1-CB 3.98Å; V154-Q240 HydrophobicContact CG1-CG 3.87Å; V154-L241 HydrophobicContact CG1-CD2 3.72Å; V154-L241 HydrophobicContact CG1-CG 3.83Å; V154-L241 HydrophobicContact CG2-CD2 4.07Å; V154-E263 HydrophobicContact CG2-CB 4.15Å |
| 155 | C | 89.8 | Confident | 90.7 | Very high | 33 Ų | 33 | 45.3 Ų | 45.3 | 22% | 0.223 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -94.4 | -27.9 | -172.3 | -56.7 | 0 | 0 | 0 | 0 | 113.2 | Y151 Q240 | Y151-C155 HydrophobicContact CD2-CB 3.86Å; Y151-C155 HydrophobicContact CE2-CB 3.6Å; Y151-C155 HydrophobicContact CG-CB 4.43Å; Y151-C155 WeakPolarHBondContact O-CA 3.45Å; Y151-C155 WeakPolarHBondContact O-CB 3.41Å; Y151-C155 PolarHBondContact O-N 3.34Å; C155-Q240 HydrophobicContact CB-CG 4.49Å |
| 156 | Q | 89.5 | Confident | 90.3 | Very high | 54 Ų | 54 | 46.3 Ų | 46.3 | 25% | 0.252 | 24% | 0.238 | S | C | . | . | trans | -133.7 | 55.3 | -174 | -60.7 | -165 | 6.8 | 0 | 0 | 113.2 | Y151 F152 N158 R159 Y160 | Y151-Q156 HydrophobicContact CE1-CG 4Å; Y151-Q156 PolarHBondContact OH-NE2 3.3Å; Y151-Q156 VanDerWaalsContact OH-NE2 3.17Å; F152-Q156 HydrophobicContact CD1-CB 3.85Å; F152-Q156 HydrophobicContact CE1-CB 4.41Å; F152-Q156 CarbonylContact O-C 3.54Å; F152-Q156 PolarHBondContact O-N 3.47Å; Q156-N158 PolarHBondContact O-N 3.38Å; Q156-N158 VanDerWaalsContact O-N 3.1Å; Q156-R159 PolarHBondContact O-N 2.96Å; Q156-Y160 PolarHBondContact O-N 3.39Å; Q156-Y160 VanDerWaalsContact O-N 3.12Å | ||
| 157 | L | 85.5 | Confident | 90.2 | Very high | 62 Ų | 62 | 50 Ų | 50 | 33% | 0.325 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -50.4 | -40.4 | -176.9 | -76.7 | 70.4 | 0 | 0 | 0 | 113.5 | F152 G153 V154 R159 Y160 R259 | F152-L157 PolarHBondContact O-N 2.89Å; G153-L157 WeakPolarHBondContact O-CD1 3.18Å; V154-L157 WeakPolarHBondContact O-CD1 3.4Å; L157-R159 PolarHBondContact O-N 3.34Å; L157-Y160 WeakPolarHBondContact O-CB 3.49Å; L157-Y160 PolarHBondContact O-N 2.86Å; L157-R259 VanDerWaalsContact CD2-NH1 3.32Å; L157-R259 VanDerWaalsContact CG-NH2 3.32Å |
| 158 | N | 88.7 | Confident | 90.1 | Very high | 126 Ų | 126 | 52.5 Ų | 52.5 | 67% | 0.674 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -63 | -31.1 | -177.7 | -65.8 | -17.2 | 0 | 0 | 0 | 112.7 | Q156 N341 | Q156-N158 PolarHBondContact O-N 3.38Å; Q156-N158 VanDerWaalsContact O-N 3.1Å; N158-N341 PolarHBondContact OD1-ND2 3.49Å |
| 159 | R | 90.3 | Very high | 90 | Very high | 156 Ų | 156 | 50.6 Ų | 50.6 | 59% | 0.589 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -96.6 | -12.3 | -180 | -65.6 | -175 | 176.6 | -176.9 | -2.1 | 113.1 | F152 Q156 L157 K161 T162 M163 | F152-R159 HydrophobicContact CD1-CB 4.24Å; F152-R159 HydrophobicContact CE1-CB 4.31Å; Q156-R159 PolarHBondContact O-N 2.96Å; L157-R159 PolarHBondContact O-N 3.34Å; R159-K161 PolarHBondContact O-N 2.93Å; R159-T162 PolarHBondContact O-N 3.28Å; R159-M163 WeakPolarHBondContact O-CB 3.5Å; R159-M163 WeakPolarHBondContact O-CG 3.45Å; R159-M163 PolarHBondContact O-N 3.49Å |
| 160 | Y | 89.1 | Confident | 90.1 | Very high | 26 Ų | 26 | 54 Ų | 54 | 10% | 0.102 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57.3 | -47.8 | -175.5 | -177.8 | -96.6 | 0 | 0 | 0 | 112.6 | N149 F152 G153 Q156 L157 T162 M163 F164 | N149-Y160 WeakPolarHBondContact ND2-CE2 3.26Å; N149-Y160 PolarHBondContact ND2-OH 3.44Å; N149-Y160 VanDerWaalsContact ND2-OH 3.14Å; N149-Y160 WeakPolarHBondContact O-CE2 3.5Å; F152-Y160 HydrophobicContact CB-CD2 3.75Å; G153-Y160 VanDerWaalsContact CA-CD2 3.5Å; G153-Y160 VanDerWaalsContact N-CD2 3.31Å; Q156-Y160 PolarHBondContact O-N 3.39Å; Q156-Y160 VanDerWaalsContact O-N 3.12Å; L157-Y160 WeakPolarHBondContact O-CB 3.49Å; L157-Y160 PolarHBondContact O-N 2.86Å; Y160-T162 VanDerWaalsContact C-N 3.3Å; Y160-T162 PolarHBondContact O-N 3.34Å; Y160-M163 PolarHBondContact O-N 2.75Å; Y160-F164 HydrophobicContact CD2-CB 4.42Å; Y160-F164 HydrophobicContact CD2-CD2 4.03Å; Y160-F164 HydrophobicContact CE1-CB 4.47Å; Y160-F164 HydrophobicContact CE2-CB 4.11Å; Y160-F164 AromaticContact CE2-CD2 3.99Å; Y160-F164 HydrophobicContact CE2-CD2 3.99Å; Y160-F164 HydrophobicContact CE2-CG 4.23Å; Y160-F164 WeakPolarHBondContact O-CA 3.11Å; Y160-F164 WeakPolarHBondContact O-CB 3.26Å; Y160-F164 PolarHBondContact O-N 2.83Å |
| 161 | K | 85.5 | Confident | 90.3 | Very high | 85 Ų | 85 | 58.5 Ų | 58.5 | 37% | 0.37 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.2 | -35.5 | -178.9 | -72 | -174.7 | 176.5 | 179.8 | 0 | 113.1 | R159 Y334 L338 | R159-K161 PolarHBondContact O-N 2.93Å; K161-Y334 VanDerWaalsContact NZ-CD1 3.3Å; K161-L338 HydrophobicContact CD-CD1 4.45Å |
| 162 | T | 89.2 | Confident | 90.5 | Very high | 106 Ų | 106 | 59.1 Ų | 59.1 | 65% | 0.65 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -75.1 | -41.5 | -179 | -33 | 0 | 0 | 0 | 0 | 110.9 | R159 Y160 N168 | R159-T162 PolarHBondContact O-N 3.28Å; Y160-T162 VanDerWaalsContact C-N 3.3Å; Y160-T162 PolarHBondContact O-N 3.34Å; T162-N168 PolarHBondContact O-ND2 2.81Å; T162-N168 VanDerWaalsContact O-ND2 3.08Å |
| 163 | M | 90.2 | Very high | 90.7 | Very high | 82 Ų | 82 | 58.7 Ų | 58.7 | 40% | 0.404 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -76.8 | -48.9 | -179.7 | -69.4 | -61.5 | -169.5 | 0 | 0 | 112.3 | F152 R159 Y160 S165 N168 | F152-M163 HydrophobicContact CD1-CG 4.26Å; F152-M163 HydrophobicContact CE1-CG 3.91Å; F152-M163 HydrophobicContact CZ-CG 4.37Å; R159-M163 WeakPolarHBondContact O-CB 3.5Å; R159-M163 WeakPolarHBondContact O-CG 3.45Å; R159-M163 PolarHBondContact O-N 3.49Å; Y160-M163 PolarHBondContact O-N 2.75Å; M163-S165 PolarHBondContact O-N 3.17Å; M163-N168 VanDerWaalsContact O-CB 3.22Å; M163-N168 WeakPolarHBondContact O-CB 3.46Å; M163-N168 PolarHBondContact O-ND2 3.31Å |
| 164 | F | 91 | Very high | 91.2 | Very high | 10 Ų | 10 | 61.1 Ų | 61.1 | 4% | 0.044 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -103.9 | 62.3 | -176.2 | -73.6 | -76.9 | 0 | 0 | 0 | 111.4 | P86 M90 V148 N149 F152 Y160 F172 | P86-F164 HydrophobicContact CB-CB 3.88Å; P86-F164 HydrophobicContact CB-CD1 4.21Å; P86-F164 HydrophobicContact CB-CG 4.44Å; P86-F164 HydrophobicContact CG-CB 4.15Å; P86-F164 WeakPolarHBondContact CG-O 3.05Å; M90-F164 HydrophobicContact CE-CD1 3.74Å; M90-F164 HydrophobicContact CE-CE1 3.58Å; M90-F164 HydrophobicContact SD-CE1 4.3Å; V148-F164 HydrophobicContact CG1-CE2 4.4Å; V148-F164 HydrophobicContact CG1-CZ 4.07Å; N149-F164 VanDerWaalsContact CA-CZ 3.5Å; N149-F164 HydrophobicContact CB-CD1 4.33Å; N149-F164 HydrophobicContact CB-CE1 3.81Å; N149-F164 HydrophobicContact CB-CE2 4.17Å; N149-F164 HydrophobicContact CB-CZ 3.72Å; N149-F164 WeakPolarHBondContact ND2-CD1 3.42Å; N149-F164 WeakPolarHBondContact ND2-CG 3.46Å; F152-F164 HydrophobicContact CB-CD2 4.09Å; F152-F164 HydrophobicContact CB-CE2 3.95Å; F152-F164 AromaticContact CD2-CE2 3.73Å; F152-F164 HydrophobicContact CD2-CE2 3.73Å; F152-F164 HydrophobicContact CG-CD2 4.42Å; F152-F164 HydrophobicContact CG-CE2 4.01Å; Y160-F164 HydrophobicContact CD2-CB 4.42Å; Y160-F164 HydrophobicContact CD2-CD2 4.03Å; Y160-F164 HydrophobicContact CE1-CB 4.47Å; Y160-F164 HydrophobicContact CE2-CB 4.11Å; Y160-F164 AromaticContact CE2-CD2 3.99Å; Y160-F164 HydrophobicContact CE2-CD2 3.99Å; Y160-F164 HydrophobicContact CE2-CG 4.23Å; Y160-F164 WeakPolarHBondContact O-CA 3.11Å; Y160-F164 WeakPolarHBondContact O-CB 3.26Å; Y160-F164 PolarHBondContact O-N 2.83Å; F164-F172 HydrophobicContact CD1-CD2 4.28Å; F164-F172 HydrophobicContact CD1-CE2 4.3Å; F164-F172 AromaticContact CE1-CD2 4Å; F164-F172 HydrophobicContact CE1-CD2 4Å; F164-F172 HydrophobicContact CE1-CE2 4.1Å |
| 165 | S | 89.6 | Confident | 91.6 | Very high | 38 Ų | 38 | 63 Ų | 63 | 27% | 0.266 | 34% | 0.341 | S | S | . | . | trans | -78.4 | 167.1 | 163.6 | 76.3 | 0 | 0 | 0 | 0 | 110.5 | M163 N168 T169 | M163-S165 PolarHBondContact O-N 3.17Å; S165-N168 PolarHBondContact O-N 2.84Å; S165-N168 WeakPolarHBondContact OG-CB 3.4Å; S165-N168 PolarHBondContact OG-N 3.47Å; S165-N168 VanDerWaalsContact OG-N 3.13Å; S165-N168 PolarHBondContact OG-ND2 3.45Å; S165-N168 PolarHBondContact OG-OD1 3.5Å; S165-T169 WeakPolarHBondContact O-CB 3.49Å; S165-T169 PolarHBondContact O-N 2.8Å; S165-T169 PolarHBondContact O-OG1 2.79Å | ||
| 166 | A | 87.8 | Confident | 92 | Very high | 37 Ų | 37 | 61.5 Ų | 61.5 | 31% | 0.306 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.8 | -46 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | F85 T169 V170 | F85-A166 HydrophobicContact CD1-CB 3.83Å; F85-A166 HydrophobicContact CE1-CB 4.27Å; F85-A166 WeakPolarHBondContact CE1-O 3.45Å; A166-T169 WeakPolarHBondContact O-CB 3.23Å; A166-T169 PolarHBondContact O-N 2.88Å; A166-V170 PolarHBondContact O-N 3Å; A166-V170 VanDerWaalsContact O-N 3.08Å |
| 167 | S | 90.4 | Very high | 92.5 | Very high | 84 Ų | 84 | 61.6 Ų | 61.6 | 59% | 0.587 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -61.7 | -46.5 | 177.9 | -48.9 | 0 | 0 | 0 | 0 | 112.1 | T169 V170 I171 | S167-T169 VanDerWaalsContact C-N 3.28Å; S167-T169 PolarHBondContact O-N 3.25Å; S167-V170 PolarHBondContact O-N 2.88Å; S167-I171 WeakPolarHBondContact O-CG1 3.48Å; S167-I171 PolarHBondContact O-N 3.02Å; S167-I171 VanDerWaalsContact O-N 3.11Å |
| 168 | N | 93.5 | Very high | 93.1 | Very high | 53 Ų | 53 | 63.4 Ų | 63.4 | 28% | 0.283 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -65.1 | -35.4 | 178.9 | -64.8 | 3.1 | 0 | 0 | 0 | 111.6 | T162 M163 S165 I171 F172 | T162-N168 PolarHBondContact O-ND2 2.81Å; T162-N168 VanDerWaalsContact O-ND2 3.08Å; M163-N168 VanDerWaalsContact O-CB 3.22Å; M163-N168 WeakPolarHBondContact O-CB 3.46Å; M163-N168 PolarHBondContact O-ND2 3.31Å; S165-N168 PolarHBondContact O-N 2.84Å; S165-N168 WeakPolarHBondContact OG-CB 3.4Å; S165-N168 PolarHBondContact OG-N 3.47Å; S165-N168 VanDerWaalsContact OG-N 3.13Å; S165-N168 PolarHBondContact OG-ND2 3.45Å; S165-N168 PolarHBondContact OG-OD1 3.5Å; N168-I171 WeakPolarHBondContact O-CB 3.14Å; N168-I171 PolarHBondContact O-N 3.41Å; N168-F172 HydrophobicContact CB-CE2 4.12Å; N168-F172 WeakPolarHBondContact O-CD2 3.43Å; N168-F172 WeakPolarHBondContact O-CG 3.48Å; N168-F172 PolarHBondContact O-N 2.92Å |
| 169 | T | 93.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.9 | -43.7 | 175.8 | -57.3 | 0 | 0 | 0 | 0 | 111.1 | F85 P86 M90 S165 A166 S167 I171 F172 I173 | F85-T169 HydrophobicContact CD1-CG2 4.23Å; F85-T169 HydrophobicContact CE1-CG2 4.01Å; P86-T169 VanDerWaalsContact CA-OG1 3.31Å; P86-T169 WeakPolarHBondContact CA-OG1 3.49Å; P86-T169 HydrophobicContact CB-CG2 4.36Å; P86-T169 VanDerWaalsContact CB-OG1 3.29Å; P86-T169 WeakPolarHBondContact CB-OG1 3.48Å; P86-T169 WeakPolarHBondContact O-CG2 3.5Å; M90-T169 HydrophobicContact CE-CG2 4.38Å; M90-T169 HydrophobicContact CG-CG2 4.3Å; S165-T169 WeakPolarHBondContact O-CB 3.49Å; S165-T169 PolarHBondContact O-N 2.8Å; S165-T169 PolarHBondContact O-OG1 2.79Å; A166-T169 WeakPolarHBondContact O-CB 3.23Å; A166-T169 PolarHBondContact O-N 2.88Å; S167-T169 VanDerWaalsContact C-N 3.28Å; S167-T169 PolarHBondContact O-N 3.25Å; T169-I171 VanDerWaalsContact C-N 3.28Å; T169-I171 PolarHBondContact O-N 3.31Å; T169-F172 PolarHBondContact O-N 3.34Å; T169-I173 HydrophobicContact CG2-CD1 3.78Å; T169-I173 HydrophobicContact CG2-CG1 4.31Å; T169-I173 WeakPolarHBondContact O-CG1 3.44Å; T169-I173 PolarHBondContact O-N 3.33Å |
| 170 | V | 94.5 | Very high | 93.9 | Very high | 72 Ų | 72 | 53 Ų | 53 | 44% | 0.436 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -58.5 | -46 | 175.4 | 174.6 | 0 | 0 | 0 | 0 | 109.9 | F85 A166 S167 F172 I173 S174 | F85-V170 HydrophobicContact CE1-CG2 3.9Å; F85-V170 HydrophobicContact CZ-CG2 3.92Å; A166-V170 PolarHBondContact O-N 3Å; A166-V170 VanDerWaalsContact O-N 3.08Å; S167-V170 PolarHBondContact O-N 2.88Å; V170-F172 PolarHBondContact O-N 3.28Å; V170-I173 PolarHBondContact O-N 2.84Å; V170-S174 WeakPolarHBondContact O-CB 3.16Å; V170-S174 PolarHBondContact O-N 3.34Å; V170-S174 PolarHBondContact O-OG 3.11Å; V170-S174 VanDerWaalsContact O-OG 3.08Å |
| 171 | I | 96.9 | Very high | 94.3 | Very high | 99 Ų | 99 | 53.4 Ų | 53.4 | 51% | 0.508 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -56.9 | -49.7 | 175.9 | -63.5 | 167.8 | 0 | 0 | 0 | 110.7 | S167 N168 T169 I173 S174 T175 | S167-I171 WeakPolarHBondContact O-CG1 3.48Å; S167-I171 PolarHBondContact O-N 3.02Å; S167-I171 VanDerWaalsContact O-N 3.11Å; N168-I171 WeakPolarHBondContact O-CB 3.14Å; N168-I171 PolarHBondContact O-N 3.41Å; T169-I171 VanDerWaalsContact C-N 3.28Å; T169-I171 PolarHBondContact O-N 3.31Å; I171-I173 PolarHBondContact O-N 3.26Å; I171-S174 WeakPolarHBondContact O-CB 3.22Å; I171-S174 PolarHBondContact O-N 3.3Å; I171-T175 HydrophobicContact CG2-CG2 4.4Å; I171-T175 WeakPolarHBondContact O-CG2 3.5Å; I171-T175 PolarHBondContact O-N 2.85Å; I171-T175 PolarHBondContact O-OG1 3.31Å |
| 172 | F | 97 | Very high | 94.8 | Very high | 66 Ų | 66 | 55.3 Ų | 55.3 | 29% | 0.289 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.9 | -38.9 | 178.5 | -67.1 | -44.5 | 0 | 0 | 0 | 113.4 | L145 F164 N168 T169 V170 T175 G176 | L145-F172 HydrophobicContact CD1-CB 3.87Å; L145-F172 VanDerWaalsContact CD1-O 3.27Å; L145-F172 WeakPolarHBondContact CD1-O 3.37Å; L145-F172 HydrophobicContact CD2-CB 4.23Å; L145-F172 HydrophobicContact CD2-CG 4.43Å; F164-F172 HydrophobicContact CD1-CD2 4.28Å; F164-F172 HydrophobicContact CD1-CE2 4.3Å; F164-F172 AromaticContact CE1-CD2 4Å; F164-F172 HydrophobicContact CE1-CD2 4Å; F164-F172 HydrophobicContact CE1-CE2 4.1Å; N168-F172 HydrophobicContact CB-CE2 4.12Å; N168-F172 WeakPolarHBondContact O-CD2 3.43Å; N168-F172 WeakPolarHBondContact O-CG 3.48Å; N168-F172 PolarHBondContact O-N 2.92Å; T169-F172 PolarHBondContact O-N 3.34Å; V170-F172 PolarHBondContact O-N 3.28Å; F172-T175 WeakPolarHBondContact CA-OG1 3.34Å; F172-T175 PolarHBondContact O-N 3.32Å; F172-T175 PolarHBondContact O-OG1 2.93Å; F172-G176 PolarHBondContact O-N 3.49Å; F172-G176 VanDerWaalsContact O-N 3.14Å |
| 173 | I | 97 | Very high | 95.2 | Very high | 25 Ų | 25 | 52 Ų | 52 | 13% | 0.128 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.3 | -47.6 | 175.8 | -71.2 | 167.5 | 0 | 0 | 0 | 109.7 | G89 M90 S93 H142 T169 V170 I171 T175 G176 W177 | G89-I173 WeakPolarHBondContact O-CD1 3.28Å; M90-I173 HydrophobicContact CG-CD1 4.37Å; M90-I173 HydrophobicContact CG-CG1 4.04Å; S93-I173 WeakPolarHBondContact OG-CG2 2.95Å; H142-I173 PolarHBondContact NE2-O 2.96Å; H142-I173 VanDerWaalsContact NE2-O 3.13Å; T169-I173 HydrophobicContact CG2-CD1 3.78Å; T169-I173 HydrophobicContact CG2-CG1 4.31Å; T169-I173 WeakPolarHBondContact O-CG1 3.44Å; T169-I173 PolarHBondContact O-N 3.33Å; V170-I173 PolarHBondContact O-N 2.84Å; I171-I173 PolarHBondContact O-N 3.26Å; I173-T175 PolarHBondContact O-N 3.24Å; I173-G176 PolarHBondContact O-N 3.37Å; I173-G176 VanDerWaalsContact O-N 3.11Å; I173-W177 PolarHBondContact O-N 3Å; I173-W177 VanDerWaalsContact O-N 3.16Å |
| 174 | S | 98 | Very high | 95.5 | Very high | 55 Ų | 55 | 48 Ų | 48 | 39% | 0.385 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59.8 | -41.9 | 177.4 | -65.7 | 0 | 0 | 0 | 0 | 112.1 | V170 I171 G176 W177 I178 | V170-S174 WeakPolarHBondContact O-CB 3.16Å; V170-S174 PolarHBondContact O-N 3.34Å; V170-S174 PolarHBondContact O-OG 3.11Å; V170-S174 VanDerWaalsContact O-OG 3.08Å; I171-S174 WeakPolarHBondContact O-CB 3.22Å; I171-S174 PolarHBondContact O-N 3.3Å; S174-G176 VanDerWaalsContact C-N 3.27Å; S174-G176 PolarHBondContact O-N 2.91Å; S174-W177 PolarHBondContact O-N 2.71Å; S174-I178 WeakPolarHBondContact O-CG1 3.19Å; S174-I178 PolarHBondContact O-N 3.26Å |
| 175 | T | 98 | Very high | 95.7 | Very high | 55 Ų | 55 | 49.9 Ų | 49.9 | 34% | 0.337 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.6 | -34.4 | 175.4 | 59.1 | 0 | 0 | 0 | 0 | 112.1 | I171 F172 I173 I178 F179 | I171-T175 HydrophobicContact CG2-CG2 4.4Å; I171-T175 WeakPolarHBondContact O-CG2 3.5Å; I171-T175 PolarHBondContact O-N 2.85Å; I171-T175 PolarHBondContact O-OG1 3.31Å; F172-T175 WeakPolarHBondContact CA-OG1 3.34Å; F172-T175 PolarHBondContact O-N 3.32Å; F172-T175 PolarHBondContact O-OG1 2.93Å; I173-T175 PolarHBondContact O-N 3.24Å; T175-I178 PolarHBondContact O-N 2.87Å; T175-F179 VanDerWaalsContact O-CB 3.26Å; T175-F179 WeakPolarHBondContact O-CB 3.31Å; T175-F179 PolarHBondContact O-N 3.47Å |
| 176 | G | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.3 | -40.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | F172 I173 S174 F179 G180 | F172-G176 PolarHBondContact O-N 3.49Å; F172-G176 VanDerWaalsContact O-N 3.14Å; I173-G176 PolarHBondContact O-N 3.37Å; I173-G176 VanDerWaalsContact O-N 3.11Å; S174-G176 VanDerWaalsContact C-N 3.27Å; S174-G176 PolarHBondContact O-N 2.91Å; G176-F179 PolarHBondContact O-N 3.34Å; G176-G180 PolarHBondContact O-N 2.98Å |
| 177 | W | 98.6 | Very high | 96 | Very high | 57 Ų | 57 | 48.5 Ų | 48.5 | 22% | 0.216 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.9 | -44.3 | 174.1 | -70.8 | 109.4 | 0 | 0 | 0 | 112.2 | S93 T96 C97 I100 F134 H142 I173 S174 F179 G180 A181 | S93-W177 PolarHBondContact OG-NE1 2.79Å; T96-W177 HydrophobicContact CG2-CH2 4.17Å; T96-W177 HydrophobicContact CG2-CZ2 4.23Å; C97-W177 WeakPolarHBondContact SG-CH2 3.48Å; I100-W177 HydrophobicContact CD1-CH2 3.96Å; I100-W177 HydrophobicContact CD1-CZ3 4.19Å; F134-W177 HydrophobicContact CD1-CZ3 4.33Å; F134-W177 AromaticContact CE1-CE3 3.65Å; F134-W177 HydrophobicContact CE1-CE3 3.65Å; F134-W177 AromaticContact CE1-CZ3 3.46Å; F134-W177 HydrophobicContact CE1-CZ3 3.46Å; F134-W177 VanDerWaalsContact CE1-CZ3 3.46Å; F134-W177 AromaticContact CE2-CE3 3.81Å; F134-W177 HydrophobicContact CE2-CE3 3.81Å; F134-W177 HydrophobicContact CE2-CZ3 4.43Å; F134-W177 WeakPolarHBondContact CE2-O 3.46Å; F134-W177 HydrophobicContact CZ-CD2 4.28Å; F134-W177 AromaticContact CZ-CE3 3.18Å; F134-W177 HydrophobicContact CZ-CE3 3.18Å; F134-W177 AromaticContact CZ-CZ3 3.55Å; F134-W177 HydrophobicContact CZ-CZ3 3.55Å; H142-W177 AromaticContact CE1-CE2 3.88Å; H142-W177 AromaticContact CE1-NE1 3.71Å; I173-W177 PolarHBondContact O-N 3Å; I173-W177 VanDerWaalsContact O-N 3.16Å; S174-W177 PolarHBondContact O-N 2.71Å; W177-F179 VanDerWaalsContact C-N 3.3Å; W177-F179 PolarHBondContact O-N 2.96Å; W177-G180 PolarHBondContact O-N 3.36Å; W177-A181 WeakPolarHBondContact O-CB 3.36Å; W177-A181 PolarHBondContact O-N 3.07Å |
| 178 | I | 98.4 | Very high | 95.9 | Very high | 99 Ų | 99 | 49.6 Ų | 49.6 | 51% | 0.508 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60.6 | -43.3 | 176 | -67 | 165.1 | 0 | 0 | 0 | 110.3 | S174 T175 A181 L182 | S174-I178 WeakPolarHBondContact O-CG1 3.19Å; S174-I178 PolarHBondContact O-N 3.26Å; T175-I178 PolarHBondContact O-N 2.87Å; I178-A181 PolarHBondContact O-N 3.31Å; I178-L182 HydrophobicContact CG2-CD1 3.86Å; I178-L182 HydrophobicContact CG2-CG 4.25Å; I178-L182 WeakPolarHBondContact O-CB 3.23Å; I178-L182 WeakPolarHBondContact O-CG 3.08Å; I178-L182 PolarHBondContact O-N 3.01Å |
| 179 | F | 97.8 | Very high | 95.8 | Very high | 64 Ų | 64 | 51.5 Ų | 51.5 | 28% | 0.281 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -58.3 | -49.9 | 175.6 | 173 | -99 | 0 | 0 | 0 | 111.5 | F137 F141 T175 G176 W177 A181 L182 V183 I222 | F137-F179 HydrophobicContact CB-CE1 4.3Å; F141-F179 HydrophobicContact CB-CD1 3.91Å; F141-F179 HydrophobicContact CB-CE1 4.4Å; F141-F179 HydrophobicContact CD2-CB 4.22Å; F141-F179 AromaticContact CD2-CD1 3.77Å; F141-F179 HydrophobicContact CD2-CD1 3.77Å; F141-F179 HydrophobicContact CD2-CD2 4.49Å; F141-F179 HydrophobicContact CD2-CE1 4.27Å; F141-F179 AromaticContact CD2-CG 3.9Å; F141-F179 HydrophobicContact CD2-CG 3.9Å; F141-F179 HydrophobicContact CE2-CG 4.4Å; F141-F179 HydrophobicContact CG-CD1 4.16Å; T175-F179 VanDerWaalsContact O-CB 3.26Å; T175-F179 WeakPolarHBondContact O-CB 3.31Å; T175-F179 PolarHBondContact O-N 3.47Å; G176-F179 PolarHBondContact O-N 3.34Å; W177-F179 VanDerWaalsContact C-N 3.3Å; W177-F179 PolarHBondContact O-N 2.96Å; F179-A181 VanDerWaalsContact C-N 3.27Å; F179-A181 PolarHBondContact O-N 3.38Å; F179-L182 PolarHBondContact O-N 2.7Å; F179-V183 HydrophobicContact CD2-CG2 4.15Å; F179-V183 HydrophobicContact CE1-CG2 4.14Å; F179-V183 HydrophobicContact CE2-CG2 3.72Å; F179-V183 HydrophobicContact CZ-CG2 3.72Å; F179-V183 WeakPolarHBondContact O-CG2 3.39Å; F179-V183 PolarHBondContact O-N 3.25Å; F179-I222 HydrophobicContact CZ-CG2 4.26Å |
| 180 | G | 98.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59.8 | -38.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | S138 G176 W177 S184 | S138-G180 WeakPolarHBondContact OG-CA 3.25Å; G176-G180 PolarHBondContact O-N 2.98Å; W177-G180 PolarHBondContact O-N 3.36Å; G180-S184 WeakPolarHBondContact O-CB 3.11Å; G180-S184 PolarHBondContact O-N 3.49Å; G180-S184 PolarHBondContact O-OG 3.33Å |
| 181 | A | 97.9 | Very high | 95 | Very high | 34 Ų | 34 | 57.1 Ų | 57.1 | 28% | 0.281 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -66.2 | -46.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | F134 W177 I178 F179 S184 A185 | F134-A181 HydrophobicContact CD2-CB 3.98Å; F134-A181 HydrophobicContact CE2-CB 3.92Å; W177-A181 WeakPolarHBondContact O-CB 3.36Å; W177-A181 PolarHBondContact O-N 3.07Å; I178-A181 PolarHBondContact O-N 3.31Å; F179-A181 VanDerWaalsContact C-N 3.27Å; F179-A181 PolarHBondContact O-N 3.38Å; A181-S184 PolarHBondContact O-N 3.4Å; A181-A185 WeakPolarHBondContact O-CB 3.48Å; A181-A185 PolarHBondContact O-N 3.02Å |
| 182 | L | 97 | Very high | 94.6 | Very high | 126 Ų | 126 | 52.7 Ų | 52.7 | 66% | 0.66 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -62.4 | -48.6 | 179.6 | -73.4 | 172 | 0 | 0 | 0 | 111.9 | I178 F179 S184 A185 | I178-L182 HydrophobicContact CG2-CD1 3.86Å; I178-L182 HydrophobicContact CG2-CG 4.25Å; I178-L182 WeakPolarHBondContact O-CB 3.23Å; I178-L182 WeakPolarHBondContact O-CG 3.08Å; I178-L182 PolarHBondContact O-N 3.01Å; F179-L182 PolarHBondContact O-N 2.7Å; L182-S184 VanDerWaalsContact C-N 3.27Å; L182-S184 PolarHBondContact O-N 2.9Å; L182-A185 WeakPolarHBondContact O-CB 3.45Å; L182-A185 PolarHBondContact O-N 3.29Å |
| 183 | V | 95.8 | Very high | 94.1 | Very high | 35 Ų | 35 | 50.1 Ų | 50.1 | 21% | 0.212 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.4 | -37.1 | 178.6 | 178.3 | 0 | 0 | 0 | 0 | 110.6 | F137 F179 I222 | F137-V183 HydrophobicContact CD1-CG1 4.25Å; F137-V183 HydrophobicContact CD2-CB 4.05Å; F137-V183 HydrophobicContact CD2-CG1 3.45Å; F137-V183 VanDerWaalsContact CD2-CG1 3.45Å; F137-V183 HydrophobicContact CE1-CG1 4.19Å; F137-V183 HydrophobicContact CE2-CB 4.39Å; F137-V183 HydrophobicContact CE2-CG1 3.33Å; F137-V183 HydrophobicContact CG-CB 4.32Å; F137-V183 HydrophobicContact CG-CG1 3.92Å; F137-V183 HydrophobicContact CZ-CG1 3.74Å; F179-V183 HydrophobicContact CD2-CG2 4.15Å; F179-V183 HydrophobicContact CE1-CG2 4.14Å; F179-V183 HydrophobicContact CE2-CG2 3.72Å; F179-V183 HydrophobicContact CZ-CG2 3.72Å; F179-V183 WeakPolarHBondContact O-CG2 3.39Å; F179-V183 PolarHBondContact O-N 3.25Å; V183-I222 HydrophobicContact CG1-CD1 4.02Å; V183-I222 HydrophobicContact CG2-CD1 4.36Å |
| 184 | S | 96.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -81.9 | -18.5 | -177 | -53.6 | 0 | 0 | 0 | 0 | 113.3 | F130 Q133 F134 G180 A181 L182 V186 H187 | F130-S184 VanDerWaalsContact CD2-O 3.29Å; F130-S184 WeakPolarHBondContact CD2-O 3.41Å; Q133-S184 PolarHBondContact O-OG 3.41Å; F134-S184 WeakPolarHBondContact CA-OG 3.36Å; F134-S184 PolarHBondContact N-OG 2.98Å; G180-S184 WeakPolarHBondContact O-CB 3.11Å; G180-S184 PolarHBondContact O-N 3.49Å; G180-S184 PolarHBondContact O-OG 3.33Å; A181-S184 PolarHBondContact O-N 3.4Å; L182-S184 VanDerWaalsContact C-N 3.27Å; L182-S184 PolarHBondContact O-N 2.9Å; S184-V186 PolarHBondContact O-N 2.89Å; S184-H187 WeakPolarHBondContact CA-ND1 3.18Å; S184-H187 VanDerWaalsContact O-CB 3.31Å; S184-H187 WeakPolarHBondContact O-CB 3.32Å; S184-H187 PolarHBondContact O-N 2.67Å; S184-H187 PolarHBondContact O-ND1 3.34Å |
| 185 | A | 95.4 | Very high | 93.6 | Very high | 48 Ų | 48 | 48.8 Ų | 48.8 | 40% | 0.397 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -54.1 | -32.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | A181 L182 H187 W188 | A181-A185 WeakPolarHBondContact O-CB 3.48Å; A181-A185 PolarHBondContact O-N 3.02Å; L182-A185 WeakPolarHBondContact O-CB 3.45Å; L182-A185 PolarHBondContact O-N 3.29Å; A185-H187 PolarHBondContact O-N 3.19Å; A185-H187 VanDerWaalsContact O-N 3.12Å; A185-W188 WeakPolarHBondContact O-CB 3.24Å; A185-W188 PolarHBondContact O-N 3.23Å; A185-W188 VanDerWaalsContact O-N 3.09Å |
| 186 | V | 92.8 | Very high | 93.3 | Very high | 46 Ų | 46 | 46.2 Ų | 46.2 | 28% | 0.279 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -57 | -27.8 | 176.5 | 72.1 | 0 | 0 | 0 | 0 | 113 | S184 W188 L189 C192 I215 | S184-V186 PolarHBondContact O-N 2.89Å; V186-W188 PolarHBondContact O-N 3.18Å; V186-L189 HydrophobicContact CG2-CD1 4.11Å; V186-L189 WeakPolarHBondContact O-CB 3.35Å; V186-L189 WeakPolarHBondContact O-CG 3.38Å; V186-L189 PolarHBondContact O-N 3.12Å; V186-L189 VanDerWaalsContact O-N 3.11Å; V186-C192 HydrophobicContact CG2-CB 4.28Å; V186-I215 HydrophobicContact CB-CD1 4.43Å; V186-I215 HydrophobicContact CG1-CD1 3.87Å; V186-I215 HydrophobicContact CG1-CG1 4.21Å; V186-I215 HydrophobicContact CG2-CD1 3.66Å; V186-I215 HydrophobicContact CG2-CG1 4.19Å |
| 187 | H | 91.2 | Very high | 93 | Very high | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -73.7 | -9.1 | -178.7 | -56.5 | 95.1 | 0 | 0 | 0 | 114.1 | F130 S184 A185 C192 Y205 E219 | F130-H187 HydrophobicContact CB-CB 4.41Å; S184-H187 WeakPolarHBondContact CA-ND1 3.18Å; S184-H187 VanDerWaalsContact O-CB 3.31Å; S184-H187 WeakPolarHBondContact O-CB 3.32Å; S184-H187 PolarHBondContact O-N 2.67Å; S184-H187 PolarHBondContact O-ND1 3.34Å; A185-H187 PolarHBondContact O-N 3.19Å; A185-H187 VanDerWaalsContact O-N 3.12Å; H187-C192 WeakPolarHBondContact CA-O 3.16Å; H187-Y205 AromaticContact CD2-CE1 3.94Å; H187-Y205 AromaticContact NE2-CE1 3.52Å; H187-Y205 AromaticContact NE2-CZ 3.86Å; H187-Y205 PolarHBondContact NE2-OH 3.27Å; H187-E219 IonicContact CE1-OE1 2.76Å |
| 188 | W | 89.7 | Confident | 92.6 | Very high | 106 Ų | 106 | 47.8 Ų | 47.8 | 40% | 0.402 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -72 | -21.3 | 169 | -82.6 | 101.2 | 0 | 0 | 0 | 112.9 | L123 F127 F130 A185 V186 | L123-W188 HydrophobicContact CD1-CZ3 3.99Å; F127-W188 HydrophobicContact CB-CH2 4.26Å; F127-W188 AromaticContact CD2-CH2 3.73Å; F127-W188 HydrophobicContact CD2-CH2 3.73Å; F127-W188 AromaticContact CD2-CZ2 3.65Å; F127-W188 HydrophobicContact CD2-CZ2 3.65Å; F127-W188 HydrophobicContact CE2-CZ2 4.34Å; F127-W188 HydrophobicContact CG-CH2 4.47Å; F130-W188 HydrophobicContact CD1-CZ2 4.41Å; F130-W188 AromaticContact CD1-NE1 3.6Å; F130-W188 AromaticContact CD2-CD1 3.38Å; F130-W188 HydrophobicContact CD2-CG 4.49Å; F130-W188 AromaticContact CD2-NE1 3.26Å; F130-W188 VanDerWaalsContact CD2-NE1 3.26Å; F130-W188 AromaticContact CE1-NE1 3.83Å; F130-W188 AromaticContact CE2-CD1 3.74Å; F130-W188 AromaticContact CE2-NE1 3.52Å; F130-W188 AromaticContact CG-CD1 3.82Å; F130-W188 AromaticContact CG-NE1 3.31Å; F130-W188 VanDerWaalsContact CG-NE1 3.31Å; F130-W188 AromaticContact CZ-NE1 3.8Å; A185-W188 WeakPolarHBondContact O-CB 3.24Å; A185-W188 PolarHBondContact O-N 3.23Å; A185-W188 VanDerWaalsContact O-N 3.09Å; V186-W188 PolarHBondContact O-N 3.18Å |
| 189 | L | 89.9 | Confident | 92.2 | Very high | 93 Ų | 93 | 47.9 Ų | 47.9 | 49% | 0.487 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -70.3 | 133.9 | -178.8 | -61.6 | 174 | 0 | 0 | 0 | 110.7 | V186 Q191 C192 | V186-L189 HydrophobicContact CG2-CD1 4.11Å; V186-L189 WeakPolarHBondContact O-CB 3.35Å; V186-L189 WeakPolarHBondContact O-CG 3.38Å; V186-L189 PolarHBondContact O-N 3.12Å; V186-L189 VanDerWaalsContact O-N 3.11Å; L189-Q191 PolarHBondContact O-N 3.29Å; L189-C192 HydrophobicContact CB-CB 4.06Å; L189-C192 PolarHBondContact O-N 3.12Å; L189-C192 VanDerWaalsContact O-N 3.09Å |
| 190 | P | 85.9 | Confident | 91.9 | Very high | 70 Ų | 70 | 47.1 Ų | 47.1 | 46% | 0.455 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | -33.8 | 180 | -28.3 | 32.3 | 0 | 0 | 0 | 115.1 | Q193 | P190-Q193 WeakPolarHBondContact O-CG 3.46Å; P190-Q193 PolarHBondContact O-NE2 2.86Å |
| 191 | Q | 86.3 | Confident | 91.6 | Very high | 121 Ų | 121 | 47.1 Ų | 47.1 | 57% | 0.565 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | -13.8 | -173.9 | -61 | 178.7 | -4.5 | 0 | 0 | 113.3 | L189 H209 N212 | L189-Q191 PolarHBondContact O-N 3.29Å; Q191-H209 HydrophobicContact CB-CB 4.49Å; Q191-H209 WeakPolarHBondContact O-CB 3.14Å; Q191-H209 PolarHBondContact O-CD2 3.41Å; Q191-N212 PolarHBondContact O-ND2 3.46Å |
| 192 | C | 88.5 | Confident | 91.3 | Very high | 5 Ų | 5 | 46.4 Ų | 46.4 | 3% | 0.034 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -120.5 | 49.7 | -164.8 | -52.7 | 0 | 0 | 0 | 0 | 111.4 | V186 H187 L189 C211 N212 I215 | V186-C192 HydrophobicContact CG2-CB 4.28Å; H187-C192 WeakPolarHBondContact CA-O 3.16Å; L189-C192 HydrophobicContact CB-CB 4.06Å; L189-C192 PolarHBondContact O-N 3.12Å; L189-C192 VanDerWaalsContact O-N 3.09Å; C192-C211 HydrophobicContact CB-CB 4.19Å; C192-C211 WeakPolarHBondContact CB-SG 3.45Å; C192-C211 WeakPolarHBondContact SG-CB 3.42Å; C192-C211 CovalentContact SG-SG 2.04Å; C192-C211 PolarHBondContact SG-SG 2.92Å; C192-N212 VanDerWaalsContact CA-OD1 3.25Å; C192-N212 WeakPolarHBondContact CA-OD1 3.27Å; C192-I215 HydrophobicContact CB-CD1 3.57Å |
| 193 | Q | 86.5 | Confident | 91 | Very high | 12 Ų | 12 | 41.3 Ų | 41.3 | 6% | 0.056 | 21% | 0.205 | C | C | . | . | trans | -96 | 133.1 | -165.8 | -62.3 | 171.3 | -14.5 | 0 | 0 | 112.1 | R126 P190 K195 P206 | R126-Q193 HydrophobicContact CG-CG 4.1Å; R126-Q193 VanDerWaalsContact CG-NE2 3.34Å; P190-Q193 WeakPolarHBondContact O-CG 3.46Å; P190-Q193 PolarHBondContact O-NE2 2.86Å; Q193-K195 HydrophobicContact CB-CG 4.07Å; Q193-P206 WeakPolarHBondContact O-CD 3.38Å | ||
| 194 | F | 91.6 | Very high | 90.8 | Very high | 10 Ų | 10 | 40.3 Ų | 40.3 | 4% | 0.044 | 20% | 0.201 | C | C | . | . | trans | -90.2 | 115 | 166.4 | -170.2 | -116.6 | 0 | 0 | 0 | 109.2 | G129 R132 W203 Y205 | G129-F194 VanDerWaalsContact CA-O 3.26Å; G129-F194 WeakPolarHBondContact CA-O 3.45Å; R132-F194 HydrophobicContact CG-CE1 4.5Å; R132-F194 VanDerWaalsContact NH1-CE1 3.25Å; R132-F194 VanDerWaalsContact NH1-CZ 3.31Å; F194-W203 HydrophobicContact CD1-CD2 4.41Å; F194-W203 AromaticContact CD1-CE3 3.64Å; F194-W203 HydrophobicContact CD1-CE3 3.64Å; F194-W203 HydrophobicContact CD1-CZ3 4.26Å; F194-W203 HydrophobicContact CE1-CB 3.57Å; F194-W203 AromaticContact CE1-CD2 3.9Å; F194-W203 HydrophobicContact CE1-CD2 3.9Å; F194-W203 AromaticContact CE1-CE3 3.58Å; F194-W203 HydrophobicContact CE1-CE3 3.58Å; F194-W203 AromaticContact CE1-CG 3.94Å; F194-W203 HydrophobicContact CE1-CG 3.94Å; F194-W203 HydrophobicContact CE2-CB 4.27Å; F194-W203 HydrophobicContact CZ-CB 3.41Å; F194-W203 VanDerWaalsContact CZ-CB 3.41Å; F194-W203 HydrophobicContact CZ-CE3 4.46Å; F194-W203 HydrophobicContact CZ-CG 4.26Å; F194-Y205 HydrophobicContact CB-CD1 4.42Å; F194-Y205 HydrophobicContact CB-CE1 3.83Å; F194-Y205 AromaticContact CD2-CD1 3.89Å; F194-Y205 HydrophobicContact CD2-CD1 3.89Å; F194-Y205 AromaticContact CD2-CD2 3.81Å; F194-Y205 HydrophobicContact CD2-CD2 3.81Å; F194-Y205 AromaticContact CD2-CE1 3.47Å; F194-Y205 HydrophobicContact CD2-CE1 3.47Å; F194-Y205 VanDerWaalsContact CD2-CE1 3.47Å; F194-Y205 AromaticContact CD2-CE2 3.41Å; F194-Y205 HydrophobicContact CD2-CE2 3.41Å; F194-Y205 VanDerWaalsContact CD2-CE2 3.41Å; F194-Y205 HydrophobicContact CD2-CG 4.03Å; F194-Y205 AromaticContact CD2-CZ 3.19Å; F194-Y205 WeakPolarHBondContact CD2-OH 3.43Å; F194-Y205 AromaticContact CE2-CD2 3.94Å; F194-Y205 HydrophobicContact CE2-CD2 3.94Å; F194-Y205 HydrophobicContact CE2-CE1 4.39Å; F194-Y205 AromaticContact CE2-CE2 3.49Å; F194-Y205 HydrophobicContact CE2-CE2 3.49Å; F194-Y205 VanDerWaalsContact CE2-CE2 3.49Å; F194-Y205 AromaticContact CE2-CZ 3.72Å; F194-Y205 HydrophobicContact CG-CE1 4.08Å | ||
| 195 | K | 91.9 | Very high | 90.4 | Very high | 43 Ų | 43 | 41.2 Ų | 41.2 | 19% | 0.187 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 152.1 | -171.2 | -66.2 | -159.4 | -178.2 | -157.3 | 0 | 112.6 | E125 Q193 L197 G204 | E125-K195 WeakPolarHBondContact OE2-CE 3.26Å; E125-K195 IonicContact OE2-NZ 2.69Å; E125-K195 PolarHBondContact OE2-NZ 3.23Å; Q193-K195 HydrophobicContact CB-CG 4.07Å; K195-L197 PolarHBondContact O-N 3.27Å; K195-G204 PolarHBondContact N-O 2.96Å; K195-G204 PolarHBondContact O-N 2.84Å; K195-G204 VanDerWaalsContact O-O 3.05Å |
| 196 | F | 92.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 112.8 | 167.9 | -170.9 | -108.3 | 0 | 0 | 0 | 110.1 | L55 Y108 C109 V112 V113 H118 Y198 T202 W203 | L55-F196 HydrophobicContact CD1-CZ 4.12Å; Y108-F196 HydrophobicContact CE1-CB 3.82Å; C109-F196 HydrophobicContact CB-CD1 4.31Å; C109-F196 HydrophobicContact CB-CD2 4.4Å; C109-F196 HydrophobicContact CB-CE1 3.97Å; C109-F196 HydrophobicContact CB-CE2 4.06Å; C109-F196 HydrophobicContact CB-CZ 3.83Å; V112-F196 HydrophobicContact CG1-CD1 4.36Å; V113-F196 HydrophobicContact CG2-CE1 3.67Å; V113-F196 HydrophobicContact CG2-CZ 4.08Å; H118-F196 PolarHBondContact CE1-O 2.92Å; F196-Y198 PolarHBondContact O-N 3.45Å; F196-Y198 VanDerWaalsContact O-N 3.14Å; F196-T202 WeakPolarHBondContact CD2-O 3.21Å; F196-W203 HydrophobicContact CB-CD2 3.97Å; F196-W203 HydrophobicContact CB-CE3 3.94Å; F196-W203 HydrophobicContact CB-CH2 3.81Å; F196-W203 HydrophobicContact CB-CZ2 3.86Å; F196-W203 HydrophobicContact CB-CZ3 3.87Å; F196-W203 AromaticContact CD2-CD1 3.64Å; F196-W203 AromaticContact CD2-CD2 3.85Å; F196-W203 HydrophobicContact CD2-CD2 3.85Å; F196-W203 AromaticContact CD2-CE2 3.61Å; F196-W203 AromaticContact CD2-CG 3.85Å; F196-W203 HydrophobicContact CD2-CG 3.85Å; F196-W203 HydrophobicContact CD2-CZ2 4.19Å; F196-W203 AromaticContact CD2-NE1 3.49Å; F196-W203 HydrophobicContact CG-CD2 4.4Å; F196-W203 HydrophobicContact CG-CZ2 4.31Å |
| 197 | L | 91.7 | Very high | 89.2 | Confident | 53 Ų | 53 | 40.1 Ų | 40.1 | 28% | 0.277 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 83 | 177.8 | -62.4 | 168.1 | 0 | 0 | 0 | 108.8 | K195 R199 Y200 Y201 T202 | K195-L197 PolarHBondContact O-N 3.27Å; L197-R199 PolarHBondContact O-N 3.16Å; L197-R199 VanDerWaalsContact O-N 3.1Å; L197-Y200 HydrophobicContact CB-CD2 4.29Å; L197-Y200 CarbonylContact O-C 3.02Å; L197-Y200 PolarHBondContact O-N 3.31Å; L197-Y201 PolarHBondContact O-N 3.17Å; L197-T202 WeakPolarHBondContact CA-O 3.34Å; L197-T202 WeakPolarHBondContact CB-O 3.2Å; L197-T202 PolarHBondContact N-O 3.06Å |
| 198 | Y | 90.3 | Very high | 88.7 | Confident | 37 Ų | 37 | 43.9 Ų | 43.9 | 15% | 0.145 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -24.3 | -171.6 | 65.4 | -94 | 0 | 0 | 0 | 115 | V112 Q116 H118 F196 Y200 Y201 | V112-Y198 HydrophobicContact CG1-CD1 4.1Å; V112-Y198 HydrophobicContact CG1-CG 4.07Å; Q116-Y198 VanDerWaalsContact C-CE2 3.5Å; Q116-Y198 HydrophobicContact CB-CD2 4.44Å; Q116-Y198 HydrophobicContact CB-CE2 4.15Å; Q116-Y198 WeakPolarHBondContact O-CE2 3.44Å; Q116-Y198 VanDerWaalsContact O-CZ 3.28Å; Q116-Y198 PolarHBondContact O-OH 3.46Å; H118-Y198 AromaticContact CD2-CE1 3.89Å; H118-Y198 AromaticContact CE1-CD1 3.89Å; H118-Y198 AromaticContact NE2-CD1 3.62Å; H118-Y198 AromaticContact NE2-CE1 3.52Å; F196-Y198 PolarHBondContact O-N 3.45Å; F196-Y198 VanDerWaalsContact O-N 3.14Å; Y198-Y200 VanDerWaalsContact C-N 3.26Å; Y198-Y200 PolarHBondContact O-N 2.95Å; Y198-Y201 VanDerWaalsContact O-CD1 3.31Å; Y198-Y201 WeakPolarHBondContact O-CD1 3.41Å; Y198-Y201 WeakPolarHBondContact O-CE1 3.44Å |
| 199 | R | 89.8 | Confident | 88.4 | Confident | 102 Ų | 102 | 42.8 Ų | 42.8 | 39% | 0.385 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -21.5 | 173.5 | -61.4 | -174.2 | -175.4 | -178 | -1.2 | 113.6 | V43 L197 | V43-R199 HydrophobicContact CG2-CB 4.33Å; V43-R199 HydrophobicContact CG2-CG 4.26Å; L197-R199 PolarHBondContact O-N 3.16Å; L197-R199 VanDerWaalsContact O-N 3.1Å |
| 200 | Y | 90 | Very high | 88.1 | Confident | 48 Ų | 48 | 46.4 Ų | 46.4 | 19% | 0.188 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115 | 3.1 | -179.8 | -61.4 | -83.4 | 0 | 0 | 0 | 112.4 | L36 L197 Y198 T202 M297 | L36-Y200 HydrophobicContact CD2-CE1 3.82Å; L36-Y200 HydrophobicContact CD2-CE2 4.22Å; L36-Y200 WeakPolarHBondContact CD2-OH 3.12Å; L197-Y200 HydrophobicContact CB-CD2 4.29Å; L197-Y200 CarbonylContact O-C 3.02Å; L197-Y200 PolarHBondContact O-N 3.31Å; Y198-Y200 VanDerWaalsContact C-N 3.26Å; Y198-Y200 PolarHBondContact O-N 2.95Å; Y200-T202 PolarHBondContact O-N 2.98Å; Y200-T202 VanDerWaalsContact O-N 3.13Å; Y200-M297 WeakPolarHBondContact O-CB 3.5Å |
| 201 | Y | 92 | Very high | 88.2 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | 31.6 | -179.7 | -47.4 | -56.3 | 0 | 0 | 0 | 114.3 | D47 V113 L197 Y198 R294 L298 S301 | D47-Y201 VanDerWaalsContact C-OH 3.23Å; D47-Y201 PolarHBondContact O-OH 3.39Å; V113-Y201 HydrophobicContact CB-CE1 4.5Å; V113-Y201 HydrophobicContact CG1-CD1 3.98Å; V113-Y201 HydrophobicContact CG1-CE1 3.59Å; V113-Y201 HydrophobicContact CG2-CD1 3.72Å; V113-Y201 HydrophobicContact CG2-CE1 4.12Å; L197-Y201 PolarHBondContact O-N 3.17Å; Y198-Y201 VanDerWaalsContact O-CD1 3.31Å; Y198-Y201 WeakPolarHBondContact O-CD1 3.41Å; Y198-Y201 WeakPolarHBondContact O-CE1 3.44Å; Y201-R294 HydrophobicContact CD2-CB 4.28Å; Y201-R294 HydrophobicContact CE2-CB 4.35Å; Y201-R294 HydrophobicContact CE2-CG 4.29Å; Y201-L298 HydrophobicContact CD2-CB 4.01Å; Y201-L298 HydrophobicContact CD2-CD1 4.48Å; Y201-L298 HydrophobicContact CD2-CD2 4.39Å; Y201-L298 HydrophobicContact CG-CB 4.38Å; Y201-L298 HydrophobicContact CG-CD1 4.23Å; Y201-S301 WeakPolarHBondContact O-CB 3.42Å; Y201-S301 PolarHBondContact O-OG 3.47Å |
| 202 | T | 92 | Very high | 88.3 | Confident | 19 Ų | 19 | 39 Ų | 39 | 12% | 0.117 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 159 | -175.1 | -166.1 | 0 | 0 | 0 | 0 | 112.3 | F196 L197 Y200 M297 | F196-T202 WeakPolarHBondContact CD2-O 3.21Å; L197-T202 WeakPolarHBondContact CA-O 3.34Å; L197-T202 WeakPolarHBondContact CB-O 3.2Å; L197-T202 PolarHBondContact N-O 3.06Å; Y200-T202 PolarHBondContact O-N 2.98Å; Y200-T202 VanDerWaalsContact O-N 3.13Å; T202-M297 HydrophobicContact CG2-CB 4.21Å; T202-M297 HydrophobicContact CG2-CG 4.42Å; T202-M297 HydrophobicContact CG2-SD 4.26Å |
| 203 | W | 92 | Very high | 88.2 | Confident | 19 Ų | 19 | 40.8 Ų | 40.8 | 7% | 0.072 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 143.8 | 170 | -72.5 | 91.9 | 0 | 0 | 0 | 110.5 | I104 Y105 Y108 C109 V128 R132 F194 F196 | I104-W203 HydrophobicContact CG2-CH2 4.34Å; I104-W203 HydrophobicContact CG2-CZ2 3.72Å; Y105-W203 AromaticContact CZ-CD1 3.88Å; Y105-W203 AromaticContact CZ-NE1 3.79Å; Y108-W203 HydrophobicContact CD1-CH2 4.06Å; Y108-W203 HydrophobicContact CD1-CZ2 4.09Å; Y108-W203 AromaticContact CE1-CH2 3.79Å; Y108-W203 HydrophobicContact CE1-CH2 3.79Å; Y108-W203 HydrophobicContact CE1-CZ2 4.18Å; C109-W203 VanDerWaalsContact SG-CZ2 3.53Å; V128-W203 HydrophobicContact CG1-CH2 3.84Å; V128-W203 HydrophobicContact CG1-CZ2 4.41Å; R132-W203 HydrophobicContact CG-CD2 4.41Å; R132-W203 HydrophobicContact CG-CZ2 4.39Å; F194-W203 HydrophobicContact CD1-CD2 4.41Å; F194-W203 AromaticContact CD1-CE3 3.64Å; F194-W203 HydrophobicContact CD1-CE3 3.64Å; F194-W203 HydrophobicContact CD1-CZ3 4.26Å; F194-W203 HydrophobicContact CE1-CB 3.57Å; F194-W203 AromaticContact CE1-CD2 3.9Å; F194-W203 HydrophobicContact CE1-CD2 3.9Å; F194-W203 AromaticContact CE1-CE3 3.58Å; F194-W203 HydrophobicContact CE1-CE3 3.58Å; F194-W203 AromaticContact CE1-CG 3.94Å; F194-W203 HydrophobicContact CE1-CG 3.94Å; F194-W203 HydrophobicContact CE2-CB 4.27Å; F194-W203 HydrophobicContact CZ-CB 3.41Å; F194-W203 VanDerWaalsContact CZ-CB 3.41Å; F194-W203 HydrophobicContact CZ-CE3 4.46Å; F194-W203 HydrophobicContact CZ-CG 4.26Å; F196-W203 HydrophobicContact CB-CD2 3.97Å; F196-W203 HydrophobicContact CB-CE3 3.94Å; F196-W203 HydrophobicContact CB-CH2 3.81Å; F196-W203 HydrophobicContact CB-CZ2 3.86Å; F196-W203 HydrophobicContact CB-CZ3 3.87Å; F196-W203 AromaticContact CD2-CD1 3.64Å; F196-W203 AromaticContact CD2-CD2 3.85Å; F196-W203 HydrophobicContact CD2-CD2 3.85Å; F196-W203 AromaticContact CD2-CE2 3.61Å; F196-W203 AromaticContact CD2-CG 3.85Å; F196-W203 HydrophobicContact CD2-CG 3.85Å; F196-W203 HydrophobicContact CD2-CZ2 4.19Å; F196-W203 AromaticContact CD2-NE1 3.49Å; F196-W203 HydrophobicContact CG-CD2 4.4Å; F196-W203 HydrophobicContact CG-CZ2 4.31Å |
| 204 | G | 90.4 | Very high | 88.3 | Confident | 13 Ų | 13 | 49.1 Ų | 49.1 | 13% | 0.134 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -170.2 | 177.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | K195 | K195-G204 PolarHBondContact N-O 2.96Å; K195-G204 PolarHBondContact O-N 2.84Å; K195-G204 VanDerWaalsContact O-O 3.05Å |
| 205 | Y | 88.3 | Confident | 88.2 | Confident | 19 Ų | 19 | 49.4 Ų | 49.4 | 8% | 0.075 | 23% | 0.233 | C | C | . | . | trans | -100.9 | 127.7 | 177.2 | -65.1 | -84.1 | 0 | 0 | 0 | 110.2 | H187 F194 L207 N212 I215 V216 E219 | H187-Y205 AromaticContact CD2-CE1 3.94Å; H187-Y205 AromaticContact NE2-CE1 3.52Å; H187-Y205 AromaticContact NE2-CZ 3.86Å; H187-Y205 PolarHBondContact NE2-OH 3.27Å; F194-Y205 HydrophobicContact CB-CD1 4.42Å; F194-Y205 HydrophobicContact CB-CE1 3.83Å; F194-Y205 AromaticContact CD2-CD1 3.89Å; F194-Y205 HydrophobicContact CD2-CD1 3.89Å; F194-Y205 AromaticContact CD2-CD2 3.81Å; F194-Y205 HydrophobicContact CD2-CD2 3.81Å; F194-Y205 AromaticContact CD2-CE1 3.47Å; F194-Y205 HydrophobicContact CD2-CE1 3.47Å; F194-Y205 VanDerWaalsContact CD2-CE1 3.47Å; F194-Y205 AromaticContact CD2-CE2 3.41Å; F194-Y205 HydrophobicContact CD2-CE2 3.41Å; F194-Y205 VanDerWaalsContact CD2-CE2 3.41Å; F194-Y205 HydrophobicContact CD2-CG 4.03Å; F194-Y205 AromaticContact CD2-CZ 3.19Å; F194-Y205 WeakPolarHBondContact CD2-OH 3.43Å; F194-Y205 AromaticContact CE2-CD2 3.94Å; F194-Y205 HydrophobicContact CE2-CD2 3.94Å; F194-Y205 HydrophobicContact CE2-CE1 4.39Å; F194-Y205 AromaticContact CE2-CE2 3.49Å; F194-Y205 HydrophobicContact CE2-CE2 3.49Å; F194-Y205 VanDerWaalsContact CE2-CE2 3.49Å; F194-Y205 AromaticContact CE2-CZ 3.72Å; F194-Y205 HydrophobicContact CG-CE1 4.08Å; Y205-L207 PolarHBondContact O-N 3.23Å; Y205-L207 VanDerWaalsContact O-N 3.11Å; Y205-N212 HydrophobicContact CD1-CB 4.44Å; Y205-I215 HydrophobicContact CD1-CG2 4.47Å; Y205-I215 HydrophobicContact CE1-CG2 3.67Å; Y205-V216 HydrophobicContact CD2-CG2 3.24Å; Y205-V216 HydrophobicContact CE2-CG2 3.78Å; Y205-V216 HydrophobicContact CG-CG2 3.72Å; Y205-E219 WeakPolarHBondContact CE2-OE2 3.47Å; Y205-E219 PolarHBondContact OH-OE1 3.31Å; Y205-E219 PolarHBondContact OH-OE2 3.04Å | ||
| 206 | P | 83.1 | Confident | 88.1 | Confident | 36 Ų | 36 | 48.8 Ų | 48.8 | 23% | 0.234 | 23% | 0.233 | C | C | . | . | trans | -68.9 | 108.7 | 169 | 27.7 | -28.5 | 0 | 0 | 0 | 108.7 | Q193 T208 N212 | Q193-P206 WeakPolarHBondContact O-CD 3.38Å; P206-T208 PolarHBondContact O-N 3.33Å; P206-N212 PolarHBondContact O-ND2 3.33Å | ||
| 207 | L | 80.3 | Confident | 87.9 | Confident | 36 Ų | 36 | 49.6 Ų | 49.6 | 19% | 0.188 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | 23.3 | -177.8 | -60.9 | -178.1 | 0 | 0 | 0 | 114 | W29 F33 Y205 H209 N212 V213 | W29-L207 HydrophobicContact CB-CD1 4.41Å; W29-L207 HydrophobicContact CE3-CD1 4.48Å; F33-L207 HydrophobicContact CB-CD1 3.92Å; F33-L207 HydrophobicContact CD1-CD1 4.35Å; F33-L207 HydrophobicContact CD2-CD1 3.72Å; F33-L207 HydrophobicContact CE2-CD1 4.37Å; F33-L207 HydrophobicContact CG-CD1 3.72Å; F33-L207 HydrophobicContact CG-CG 4.37Å; Y205-L207 PolarHBondContact O-N 3.23Å; Y205-L207 VanDerWaalsContact O-N 3.11Å; L207-H209 VanDerWaalsContact C-N 3.34Å; L207-N212 HydrophobicContact CD2-CB 4.45Å; L207-V213 HydrophobicContact CD2-CG2 4.34Å |
| 208 | T | 80.6 | Confident | 87.9 | Confident | 79 Ų | 79 | 49.2 Ų | 49.2 | 49% | 0.485 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -33.3 | 175.4 | 50.2 | 0 | 0 | 0 | 0 | 112.1 | P206 | P206-T208 PolarHBondContact O-N 3.33Š|
| 209 | H | 82 | Confident | 88 | Confident | 83 Ų | 83 | 48.5 Ų | 48.5 | 38% | 0.384 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -108.9 | 139.9 | -178.5 | -60.1 | -74.7 | 0 | 0 | 0 | 111.6 | Q191 L207 C211 N212 | Q191-H209 HydrophobicContact CB-CB 4.49Å; Q191-H209 WeakPolarHBondContact O-CB 3.14Å; Q191-H209 PolarHBondContact O-CD2 3.41Å; L207-H209 VanDerWaalsContact C-N 3.34Å; H209-C211 PolarHBondContact O-N 2.81Å; H209-N212 PolarHBondContact O-N 2.79Å |
| 210 | K | 84.6 | Confident | 88 | Confident | 170 Ų | 170 | 44.8 Ų | 44.8 | 74% | 0.739 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -57.8 | -31.2 | 176.8 | -66.8 | -178.1 | -179.5 | 177.1 | 0 | 112.6 | N212 V213 | K210-N212 VanDerWaalsContact C-N 3.27Å; K210-N212 PolarHBondContact O-N 2.79Å; K210-V213 PolarHBondContact O-N 3.44Å |
| 211 | C | 87.9 | Confident | 88.1 | Confident | 36 Ų | 36 | 46.5 Ų | 46.5 | 24% | 0.243 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -52.9 | -44.2 | 177.3 | -176.6 | 0 | 0 | 0 | 0 | 112.6 | C192 H209 V213 W214 I215 | C192-C211 HydrophobicContact CB-CB 4.19Å; C192-C211 WeakPolarHBondContact CB-SG 3.45Å; C192-C211 WeakPolarHBondContact SG-CB 3.42Å; C192-C211 CovalentContact SG-SG 2.04Å; C192-C211 PolarHBondContact SG-SG 2.92Å; H209-C211 PolarHBondContact O-N 2.81Å; C211-V213 VanDerWaalsContact C-N 3.26Å; C211-V213 PolarHBondContact O-N 3.4Å; C211-W214 PolarHBondContact O-N 2.91Å; C211-W214 VanDerWaalsContact O-N 3.16Å; C211-I215 WeakPolarHBondContact O-CG1 3.39Å; C211-I215 PolarHBondContact O-N 3.17Å |
| 212 | N | 87.5 | Confident | 88.2 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65 | -29.6 | -176.9 | -74.5 | -27.3 | 0 | 0 | 0 | 113 | Q191 C192 Y205 P206 L207 H209 K210 I215 V216 | Q191-N212 PolarHBondContact O-ND2 3.46Å; C192-N212 VanDerWaalsContact CA-OD1 3.25Å; C192-N212 WeakPolarHBondContact CA-OD1 3.27Å; Y205-N212 HydrophobicContact CD1-CB 4.44Å; P206-N212 PolarHBondContact O-ND2 3.33Å; L207-N212 HydrophobicContact CD2-CB 4.45Å; H209-N212 PolarHBondContact O-N 2.79Å; K210-N212 VanDerWaalsContact C-N 3.27Å; K210-N212 PolarHBondContact O-N 2.79Å; N212-I215 PolarHBondContact O-N 2.93Å; N212-V216 WeakPolarHBondContact O-CB 3.36Å; N212-V216 WeakPolarHBondContact O-CG2 3.31Å; N212-V216 PolarHBondContact O-N 3.08Å |
| 213 | V | 87.2 | Confident | 88.2 | Confident | 42 Ų | 42 | 48.1 Ų | 48.1 | 26% | 0.255 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -65.9 | -44.2 | 175.8 | -179 | 0 | 0 | 0 | 0 | 110.7 | L207 K210 C211 V216 A217 | L207-V213 HydrophobicContact CD2-CG2 4.34Å; K210-V213 PolarHBondContact O-N 3.44Å; C211-V213 VanDerWaalsContact C-N 3.26Å; C211-V213 PolarHBondContact O-N 3.4Å; V213-V216 PolarHBondContact O-N 3.05Å; V213-A217 WeakPolarHBondContact O-CB 3.15Å; V213-A217 PolarHBondContact O-N 3.42Å |
| 214 | W | 88.2 | Confident | 88.2 | Confident | 186 Ų | 186 | 49.5 Ų | 49.5 | 71% | 0.705 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -66.6 | -38.9 | 177.8 | -68 | 112.5 | 0 | 0 | 0 | 112.2 | C211 A217 A218 | C211-W214 PolarHBondContact O-N 2.91Å; C211-W214 VanDerWaalsContact O-N 3.16Å; W214-A217 PolarHBondContact O-N 3.39Å; W214-A218 WeakPolarHBondContact O-CB 3.39Å; W214-A218 PolarHBondContact O-N 2.83Å |
| 215 | I | 90.5 | Very high | 88.4 | Confident | 16 Ų | 16 | 53.7 Ų | 53.7 | 8% | 0.082 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.8 | -53.4 | 174.8 | -67.9 | 168.5 | 0 | 0 | 0 | 109.9 | V186 C192 Y205 C211 N212 A217 A218 E219 | V186-I215 HydrophobicContact CB-CD1 4.43Å; V186-I215 HydrophobicContact CG1-CD1 3.87Å; V186-I215 HydrophobicContact CG1-CG1 4.21Å; V186-I215 HydrophobicContact CG2-CD1 3.66Å; V186-I215 HydrophobicContact CG2-CG1 4.19Å; C192-I215 HydrophobicContact CB-CD1 3.57Å; Y205-I215 HydrophobicContact CD1-CG2 4.47Å; Y205-I215 HydrophobicContact CE1-CG2 3.67Å; C211-I215 WeakPolarHBondContact O-CG1 3.39Å; C211-I215 PolarHBondContact O-N 3.17Å; N212-I215 PolarHBondContact O-N 2.93Å; I215-A217 VanDerWaalsContact C-N 3.25Å; I215-A217 PolarHBondContact O-N 3.01Å; I215-A218 CarbonylContact O-C 3.58Å; I215-A218 WeakPolarHBondContact O-CA 3.21Å; I215-A218 WeakPolarHBondContact O-CB 3.43Å; I215-A218 PolarHBondContact O-N 3.27Å; I215-E219 HydrophobicContact CG2-CG 4.06Å; I215-E219 WeakPolarHBondContact O-CG 3.4Å; I215-E219 PolarHBondContact O-N 3.48Å |
| 216 | V | 88.9 | Confident | 88.7 | Confident | 30 Ų | 30 | 53.3 Ų | 53.3 | 18% | 0.182 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -52.8 | -45.3 | 177.5 | 169.9 | 0 | 0 | 0 | 0 | 111.2 | L26 Y205 N212 V213 E219 V220 | L26-V216 HydrophobicContact CD2-CG1 3.97Å; Y205-V216 HydrophobicContact CD2-CG2 3.24Å; Y205-V216 HydrophobicContact CE2-CG2 3.78Å; Y205-V216 HydrophobicContact CG-CG2 3.72Å; N212-V216 WeakPolarHBondContact O-CB 3.36Å; N212-V216 WeakPolarHBondContact O-CG2 3.31Å; N212-V216 PolarHBondContact O-N 3.08Å; V213-V216 PolarHBondContact O-N 3.05Å; V216-E219 PolarHBondContact O-N 3.29Å; V216-V220 VanDerWaalsContact O-CG2 3.32Å; V216-V220 WeakPolarHBondContact O-CG2 3.49Å; V216-V220 PolarHBondContact O-N 2.82Å |
| 217 | A | 89.3 | Confident | 89.1 | Confident | 18 Ų | 18 | 53.5 Ų | 53.5 | 15% | 0.149 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.6 | -46.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L26 V213 W214 I215 E219 V220 I221 | L26-A217 HydrophobicContact CD1-CB 4.35Å; V213-A217 WeakPolarHBondContact O-CB 3.15Å; V213-A217 PolarHBondContact O-N 3.42Å; W214-A217 PolarHBondContact O-N 3.39Å; I215-A217 VanDerWaalsContact C-N 3.25Å; I215-A217 PolarHBondContact O-N 3.01Å; A217-E219 PolarHBondContact O-N 3.01Å; A217-V220 PolarHBondContact O-N 3.41Å; A217-I221 VanDerWaalsContact O-CG1 3.25Å; A217-I221 WeakPolarHBondContact O-CG1 3.29Å; A217-I221 PolarHBondContact O-N 3.3Å |
| 218 | A | 91.6 | Very high | 89.7 | Confident | 45 Ų | 45 | 55.2 Ų | 55.2 | 37% | 0.372 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.1 | -41.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | W214 I215 I221 I222 | W214-A218 WeakPolarHBondContact O-CB 3.39Å; W214-A218 PolarHBondContact O-N 2.83Å; I215-A218 CarbonylContact O-C 3.58Å; I215-A218 WeakPolarHBondContact O-CA 3.21Å; I215-A218 WeakPolarHBondContact O-CB 3.43Å; I215-A218 PolarHBondContact O-N 3.27Å; A218-I221 PolarHBondContact O-N 3.3Å; A218-I222 VanDerWaalsContact O-CG1 3.3Å; A218-I222 WeakPolarHBondContact O-CG1 3.38Å; A218-I222 PolarHBondContact O-N 2.94Å |
| 219 | E | 91.3 | Very high | 90.4 | Very high | 22 Ų | 22 | 54.1 Ų | 54.1 | 10% | 0.103 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.1 | -42.4 | 177.6 | -54.1 | -147.5 | 134.6 | 0 | 0 | 112 | Q133 F137 H187 Y205 I215 V216 A217 I221 I222 N223 | Q133-E219 PolarHBondContact NE2-OE1 3.49Å; Q133-E219 PolarHBondContact NE2-OE2 3.45Å; F137-E219 WeakPolarHBondContact CE2-OE1 3.27Å; F137-E219 HydrophobicContact CZ-CB 4.12Å; F137-E219 HydrophobicContact CZ-CG 3.86Å; F137-E219 WeakPolarHBondContact CZ-OE1 3.41Å; H187-E219 IonicContact CE1-OE1 2.76Å; Y205-E219 WeakPolarHBondContact CE2-OE2 3.47Å; Y205-E219 PolarHBondContact OH-OE1 3.31Å; Y205-E219 PolarHBondContact OH-OE2 3.04Å; I215-E219 HydrophobicContact CG2-CG 4.06Å; I215-E219 WeakPolarHBondContact O-CG 3.4Å; I215-E219 PolarHBondContact O-N 3.48Å; V216-E219 PolarHBondContact O-N 3.29Å; A217-E219 PolarHBondContact O-N 3.01Å; E219-I221 VanDerWaalsContact C-N 3.33Å; E219-I222 PolarHBondContact O-N 3.21Å; E219-N223 WeakPolarHBondContact O-CB 3.29Å; E219-N223 PolarHBondContact O-N 3.45Å; E219-N223 PolarHBondContact O-ND2 3Å |
| 220 | V | 90.2 | Very high | 91 | Very high | 24 Ų | 24 | 50.2 Ų | 50.2 | 15% | 0.145 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.9 | -45.5 | 175.9 | 169 | 0 | 0 | 0 | 0 | 110 | L22 V216 A217 N223 V224 W281 | L22-V220 HydrophobicContact CD1-CG1 4.11Å; L22-V220 HydrophobicContact CD2-CB 4.38Å; L22-V220 HydrophobicContact CD2-CG1 3.95Å; V216-V220 VanDerWaalsContact O-CG2 3.32Å; V216-V220 WeakPolarHBondContact O-CG2 3.49Å; V216-V220 PolarHBondContact O-N 2.82Å; A217-V220 PolarHBondContact O-N 3.41Å; V220-N223 PolarHBondContact O-N 3.39Å; V220-V224 HydrophobicContact CG1-CG2 4.29Å; V220-V224 WeakPolarHBondContact O-CB 3.12Å; V220-V224 VanDerWaalsContact O-CG2 3.26Å; V220-V224 WeakPolarHBondContact O-CG2 3.04Å; V220-V224 PolarHBondContact O-N 3.48Å; V220-W281 HydrophobicContact CG1-CZ2 4.19Å |
| 221 | I | 92.8 | Very high | 91.4 | Very high | 84 Ų | 84 | 46.5 Ų | 46.5 | 43% | 0.431 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -59.4 | -49.7 | 177.2 | -68 | 167.2 | 0 | 0 | 0 | 110.7 | A217 A218 E219 N223 V224 L225 | A217-I221 VanDerWaalsContact O-CG1 3.25Å; A217-I221 WeakPolarHBondContact O-CG1 3.29Å; A217-I221 PolarHBondContact O-N 3.3Å; A218-I221 PolarHBondContact O-N 3.3Å; E219-I221 VanDerWaalsContact C-N 3.33Å; I221-N223 VanDerWaalsContact C-N 3.31Å; I221-N223 PolarHBondContact O-N 2.76Å; I221-V224 PolarHBondContact O-N 3.13Å; I221-L225 HydrophobicContact CG2-CD1 3.91Å; I221-L225 HydrophobicContact CG2-CG 4.34Å; I221-L225 WeakPolarHBondContact O-CB 3.25Å; I221-L225 VanDerWaalsContact O-CG 3.29Å; I221-L225 WeakPolarHBondContact O-CG 3.47Å; I221-L225 PolarHBondContact O-N 3.31Å |
| 222 | I | 93.7 | Very high | 91.7 | Very high | 43 Ų | 43 | 49 Ų | 49 | 22% | 0.221 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58 | -45.2 | 179.4 | -70.1 | 166.5 | 0 | 0 | 0 | 110.8 | F137 L140 F179 V183 A218 E219 L225 A226 | F137-I222 HydrophobicContact CD1-CG2 4.16Å; F137-I222 HydrophobicContact CE1-CB 4.39Å; F137-I222 HydrophobicContact CE1-CD1 4.39Å; F137-I222 HydrophobicContact CE1-CG2 3.89Å; L140-I222 HydrophobicContact CD2-CG2 4.09Å; F179-I222 HydrophobicContact CZ-CG2 4.26Å; V183-I222 HydrophobicContact CG1-CD1 4.02Å; V183-I222 HydrophobicContact CG2-CD1 4.36Å; A218-I222 VanDerWaalsContact O-CG1 3.3Å; A218-I222 WeakPolarHBondContact O-CG1 3.38Å; A218-I222 PolarHBondContact O-N 2.94Å; E219-I222 PolarHBondContact O-N 3.21Å; I222-L225 PolarHBondContact O-N 2.89Å; I222-A226 WeakPolarHBondContact O-CB 3.12Å; I222-A226 PolarHBondContact O-N 2.75Å |
| 223 | N | 91.8 | Very high | 92.1 | Very high | 10 Ų | 10 | 50 Ų | 50 | 5% | 0.053 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.3 | -43.2 | 179.4 | -82.4 | -72.1 | 0 | 0 | 0 | 112.8 | Y136 E219 V220 I221 A226 L227 W281 | Y136-N223 PolarHBondContact OH-ND2 3Å; Y136-N223 PolarHBondContact OH-OD1 2.83Å; E219-N223 WeakPolarHBondContact O-CB 3.29Å; E219-N223 PolarHBondContact O-N 3.45Å; E219-N223 PolarHBondContact O-ND2 3Å; V220-N223 PolarHBondContact O-N 3.39Å; I221-N223 VanDerWaalsContact C-N 3.31Å; I221-N223 PolarHBondContact O-N 2.76Å; N223-A226 PolarHBondContact O-N 2.73Å; N223-L227 WeakPolarHBondContact O-CB 3.32Å; N223-L227 PolarHBondContact O-N 3.04Å; N223-W281 HydrophobicContact CB-CD2 4.29Å; N223-W281 HydrophobicContact CB-CG 4.49Å; N223-W281 HydrophobicContact CB-CZ2 3.84Å; N223-W281 VanDerWaalsContact CB-NE1 3.28Å; N223-W281 VanDerWaalsContact CG-NE1 3.34Å |
| 224 | V | 91.6 | Very high | 92.4 | Very high | 48 Ų | 48 | 48.7 Ų | 48.7 | 29% | 0.291 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.4 | -44 | 176.2 | 170.2 | 0 | 0 | 0 | 0 | 110.6 | V220 I221 A226 L227 V228 W281 | V220-V224 HydrophobicContact CG1-CG2 4.29Å; V220-V224 WeakPolarHBondContact O-CB 3.12Å; V220-V224 VanDerWaalsContact O-CG2 3.26Å; V220-V224 WeakPolarHBondContact O-CG2 3.04Å; V220-V224 PolarHBondContact O-N 3.48Å; I221-V224 PolarHBondContact O-N 3.13Å; V224-A226 PolarHBondContact O-N 3.03Å; V224-L227 PolarHBondContact O-N 3.3Å; V224-V228 HydrophobicContact CG1-CG2 4.32Å; V224-V228 WeakPolarHBondContact O-CB 3.46Å; V224-V228 VanDerWaalsContact O-CG2 3.3Å; V224-V228 WeakPolarHBondContact O-CG2 3.44Å; V224-V228 PolarHBondContact O-N 3.35Å; V224-W281 HydrophobicContact CG2-CH2 3.59Å; V224-W281 HydrophobicContact CG2-CZ2 4.12Å; V224-W281 HydrophobicContact CG2-CZ3 4.42Å |
| 225 | L | 94.9 | Very high | 92.6 | Very high | 101 Ų | 101 | 44.1 Ų | 44.1 | 53% | 0.529 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62 | -43.6 | 176.4 | -72.1 | 175.6 | 0 | 0 | 0 | 112 | I221 I222 T229 | I221-L225 HydrophobicContact CG2-CD1 3.91Å; I221-L225 HydrophobicContact CG2-CG 4.34Å; I221-L225 WeakPolarHBondContact O-CB 3.25Å; I221-L225 VanDerWaalsContact O-CG 3.29Å; I221-L225 WeakPolarHBondContact O-CG 3.47Å; I221-L225 PolarHBondContact O-N 3.31Å; I222-L225 PolarHBondContact O-N 2.89Å; L225-T229 VanDerWaalsContact O-CB 3.3Å; L225-T229 WeakPolarHBondContact O-CB 3.38Å; L225-T229 PolarHBondContact O-N 2.88Å; L225-T229 PolarHBondContact O-OG1 2.94Å |
| 226 | A | 94.7 | Very high | 92.8 | Very high | 11 Ų | 11 | 48.7 Ų | 48.7 | 9% | 0.091 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.7 | -46.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111 | L140 V144 I222 N223 V224 T229 L230 | L140-A226 HydrophobicContact CD1-CB 3.87Å; L140-A226 HydrophobicContact CD2-CB 4.05Å; L140-A226 HydrophobicContact CG-CB 4.05Å; V144-A226 HydrophobicContact CG2-CB 4.08Å; I222-A226 WeakPolarHBondContact O-CB 3.12Å; I222-A226 PolarHBondContact O-N 2.75Å; N223-A226 PolarHBondContact O-N 2.73Å; V224-A226 PolarHBondContact O-N 3.03Å; A226-T229 WeakPolarHBondContact O-CB 3.21Å; A226-T229 PolarHBondContact O-N 3.26Å; A226-L230 WeakPolarHBondContact O-CB 3.23Å; A226-L230 WeakPolarHBondContact O-CG 3.48Å; A226-L230 PolarHBondContact O-N 3.15Å |
| 227 | L | 91.9 | Very high | 93.1 | Very high | 40 Ų | 40 | 47.2 Ų | 47.2 | 21% | 0.209 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60 | -50.5 | 178.6 | 177.2 | 57.8 | 0 | 0 | 0 | 112.4 | N223 V224 T229 L230 I231 C278 | N223-L227 WeakPolarHBondContact O-CB 3.32Å; N223-L227 PolarHBondContact O-N 3.04Å; V224-L227 PolarHBondContact O-N 3.3Å; L227-T229 VanDerWaalsContact C-N 3.28Å; L227-T229 PolarHBondContact O-N 3.15Å; L227-L230 PolarHBondContact O-N 3.11Å; L227-I231 HydrophobicContact CD1-CD1 3.91Å; L227-I231 HydrophobicContact CD1-CG1 4.21Å; L227-I231 HydrophobicContact CG-CD1 3.94Å; L227-I231 WeakPolarHBondContact O-CG1 3.2Å; L227-I231 PolarHBondContact O-N 3.09Å; L227-C278 HydrophobicContact CD1-CB 4.32Å; L227-C278 WeakPolarHBondContact CD1-SG 3.41Å |
| 228 | V | 93.1 | Very high | 93.1 | Very high | 71 Ų | 71 | 52.4 Ų | 52.4 | 43% | 0.43 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59 | -43.5 | 177.7 | 170.2 | 0 | 0 | 0 | 0 | 110.5 | V224 L230 I231 I232 | V224-V228 HydrophobicContact CG1-CG2 4.32Å; V224-V228 WeakPolarHBondContact O-CB 3.46Å; V224-V228 VanDerWaalsContact O-CG2 3.3Å; V224-V228 WeakPolarHBondContact O-CG2 3.44Å; V224-V228 PolarHBondContact O-N 3.35Å; V228-L230 PolarHBondContact O-N 3.26Å; V228-I231 PolarHBondContact O-N 3.12Å; V228-I232 HydrophobicContact CG1-CD1 3.77Å; V228-I232 HydrophobicContact CG1-CG1 4.49Å; V228-I232 VanDerWaalsContact O-CG1 3.29Å; V228-I232 WeakPolarHBondContact O-CG1 3.38Å; V228-I232 PolarHBondContact O-N 2.91Å |
| 229 | T | 95.5 | Very high | 93.2 | Very high | 56 Ų | 56 | 56.2 Ų | 56.2 | 34% | 0.344 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.6 | -46.6 | 177 | -59.5 | 0 | 0 | 0 | 0 | 111.6 | V144 L225 A226 L227 I232 I233 | V144-T229 HydrophobicContact CG1-CG2 4.12Å; L225-T229 VanDerWaalsContact O-CB 3.3Å; L225-T229 WeakPolarHBondContact O-CB 3.38Å; L225-T229 PolarHBondContact O-N 2.88Å; L225-T229 PolarHBondContact O-OG1 2.94Å; A226-T229 WeakPolarHBondContact O-CB 3.21Å; A226-T229 PolarHBondContact O-N 3.26Å; L227-T229 VanDerWaalsContact C-N 3.28Å; L227-T229 PolarHBondContact O-N 3.15Å; T229-I232 PolarHBondContact O-N 2.93Å; T229-I233 HydrophobicContact CG2-CD1 3.73Å; T229-I233 HydrophobicContact CG2-CG1 4.49Å; T229-I233 WeakPolarHBondContact O-CB 3.44Å; T229-I233 VanDerWaalsContact O-CG1 3.28Å; T229-I233 WeakPolarHBondContact O-CG1 3.17Å; T229-I233 PolarHBondContact O-N 3.25Å |
| 230 | L | 94 | Very high | 93.2 | Very high | 2 Ų | 2 | 58.7 Ų | 58.7 | 1% | 0.01 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.9 | -45 | 178.3 | -69.7 | 168.5 | 0 | 0 | 0 | 111.6 | V143 V144 A147 A226 L227 V228 I233 Y234 T274 | V143-L230 HydrophobicContact CG1-CD1 3.94Å; V143-L230 HydrophobicContact CG1-CD2 4.04Å; V144-L230 HydrophobicContact CG2-CD2 4.22Å; V144-L230 HydrophobicContact CG2-CG 4.25Å; A147-L230 HydrophobicContact CB-CD2 3.44Å; A147-L230 VanDerWaalsContact CB-CD2 3.44Å; A226-L230 WeakPolarHBondContact O-CB 3.23Å; A226-L230 WeakPolarHBondContact O-CG 3.48Å; A226-L230 PolarHBondContact O-N 3.15Å; L227-L230 PolarHBondContact O-N 3.11Å; V228-L230 PolarHBondContact O-N 3.26Å; L230-I233 PolarHBondContact O-N 2.9Å; L230-Y234 HydrophobicContact CB-CD2 4.4Å; L230-Y234 HydrophobicContact CB-CE2 4.41Å; L230-Y234 HydrophobicContact CD2-CE2 4.01Å; L230-Y234 WeakPolarHBondContact O-CD2 3.42Å; L230-Y234 PolarHBondContact O-N 3.35Å; L230-T274 HydrophobicContact CB-CG2 3.85Å; L230-T274 HydrophobicContact CD1-CG2 3.88Å; L230-T274 HydrophobicContact CG-CG2 4.34Å |
| 231 | I | 92.4 | Very high | 93.2 | Very high | 92 Ų | 92 | 58.2 Ų | 58.2 | 47% | 0.472 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -58.3 | -52.9 | 177.2 | -69.3 | 167.3 | 0 | 0 | 0 | 110.1 | L227 V228 I233 Y234 T235 | L227-I231 HydrophobicContact CD1-CD1 3.91Å; L227-I231 HydrophobicContact CD1-CG1 4.21Å; L227-I231 HydrophobicContact CG-CD1 3.94Å; L227-I231 WeakPolarHBondContact O-CG1 3.2Å; L227-I231 PolarHBondContact O-N 3.09Å; V228-I231 PolarHBondContact O-N 3.12Å; I231-I233 VanDerWaalsContact C-N 3.31Å; I231-I233 PolarHBondContact O-N 3.42Å; I231-Y234 PolarHBondContact O-N 3.04Å; I231-T235 WeakPolarHBondContact O-CB 3.41Å; I231-T235 PolarHBondContact O-N 3.47Å; I231-T235 PolarHBondContact O-OG1 2.93Å |
| 232 | I | 95 | Very high | 93 | Very high | 88 Ų | 88 | 59.2 Ų | 59.2 | 45% | 0.451 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -57.6 | -45.7 | -179.5 | -67.8 | 167 | 0 | 0 | 0 | 111 | V228 T229 K236 | V228-I232 HydrophobicContact CG1-CD1 3.77Å; V228-I232 HydrophobicContact CG1-CG1 4.49Å; V228-I232 VanDerWaalsContact O-CG1 3.29Å; V228-I232 WeakPolarHBondContact O-CG1 3.38Å; V228-I232 PolarHBondContact O-N 2.91Å; T229-I232 PolarHBondContact O-N 2.93Å; I232-K236 WeakPolarHBondContact O-CG 3.44Å; I232-K236 PolarHBondContact O-N 3.28Å |
| 233 | I | 96 | Very high | 92.8 | Very high | 20 Ų | 20 | 60.8 Ų | 60.8 | 10% | 0.103 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.8 | -51.4 | -179.5 | -74.6 | 171.3 | 0 | 0 | 0 | 110.9 | A147 V148 T229 L230 I231 T235 K236 V237 | A147-I233 HydrophobicContact CB-CB 4.5Å; A147-I233 HydrophobicContact CB-CD1 4.36Å; A147-I233 HydrophobicContact CB-CG2 3.85Å; A147-I233 WeakPolarHBondContact O-CG2 3.26Å; V148-I233 HydrophobicContact CG2-CD1 3.64Å; T229-I233 HydrophobicContact CG2-CD1 3.73Å; T229-I233 HydrophobicContact CG2-CG1 4.49Å; T229-I233 WeakPolarHBondContact O-CB 3.44Å; T229-I233 VanDerWaalsContact O-CG1 3.28Å; T229-I233 WeakPolarHBondContact O-CG1 3.17Å; T229-I233 PolarHBondContact O-N 3.25Å; L230-I233 PolarHBondContact O-N 2.9Å; I231-I233 VanDerWaalsContact C-N 3.31Å; I231-I233 PolarHBondContact O-N 3.42Å; I233-T235 PolarHBondContact O-N 2.78Å; I233-K236 WeakPolarHBondContact O-CB 3.24Å; I233-K236 PolarHBondContact O-N 3.1Å; I233-V237 HydrophobicContact CG2-CG2 4.36Å; I233-V237 WeakPolarHBondContact O-CG2 3.28Å; I233-V237 PolarHBondContact O-N 3.16Å |
| 234 | Y | 93.4 | Very high | 92.5 | Very high | 16 Ų | 16 | 61.2 Ų | 61.2 | 6% | 0.063 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -70.2 | -32.6 | -176.6 | -74.1 | -57.4 | 0 | 0 | 0 | 113 | A147 L230 I231 K236 V237 F238 A270 I271 T274 | A147-Y234 HydrophobicContact CB-CE1 4.26Å; A147-Y234 HydrophobicContact CB-CE2 3.79Å; A147-Y234 WeakPolarHBondContact CB-OH 3.42Å; L230-Y234 HydrophobicContact CB-CD2 4.4Å; L230-Y234 HydrophobicContact CB-CE2 4.41Å; L230-Y234 HydrophobicContact CD2-CE2 4.01Å; L230-Y234 WeakPolarHBondContact O-CD2 3.42Å; L230-Y234 PolarHBondContact O-N 3.35Å; I231-Y234 PolarHBondContact O-N 3.04Å; Y234-K236 VanDerWaalsContact C-N 3.3Å; Y234-K236 PolarHBondContact O-N 2.95Å; Y234-V237 PolarHBondContact O-N 3.03Å; Y234-F238 WeakPolarHBondContact O-CB 3.21Å; Y234-F238 PolarHBondContact O-N 2.9Å; Y234-A270 HydrophobicContact CE1-CB 3.89Å; Y234-A270 WeakPolarHBondContact OH-CB 3.37Å; Y234-A270 PolarHBondContact OH-O 3.49Å; Y234-I271 HydrophobicContact CD1-CD1 4.11Å; Y234-I271 HydrophobicContact CD1-CG1 3.45Å; Y234-I271 VanDerWaalsContact CD1-CG1 3.45Å; Y234-I271 HydrophobicContact CD2-CG1 4.2Å; Y234-I271 HydrophobicContact CE1-CG1 3.97Å; Y234-I271 HydrophobicContact CG-CD1 4.38Å; Y234-I271 HydrophobicContact CG-CG1 3.6Å; Y234-T274 HydrophobicContact CD2-CG2 4.34Å; Y234-T274 HydrophobicContact CE2-CG2 4.17Å; Y234-T274 WeakPolarHBondContact CE2-OG1 3.31Å |
| 235 | T | 93 | Very high | 92.2 | Very high | 89 Ų | 89 | 64 Ų | 64 | 55% | 0.546 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -58.5 | -45 | 170.5 | -60.6 | 0 | 0 | 0 | 0 | 110.7 | I231 I233 F239 | I231-T235 WeakPolarHBondContact O-CB 3.41Å; I231-T235 PolarHBondContact O-N 3.47Å; I231-T235 PolarHBondContact O-OG1 2.93Å; I233-T235 PolarHBondContact O-N 2.78Å; T235-F239 WeakPolarHBondContact O-CB 3.44Å; T235-F239 PolarHBondContact O-N 3.43Å |
| 236 | K | 94.7 | Very high | 91.7 | Very high | 112 Ų | 112 | 67.6 Ų | 67.6 | 49% | 0.487 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.2 | -45.6 | 176.2 | -72.5 | -178 | 179.5 | -179.6 | 0 | 112.2 | Y151 I232 I233 Y234 F239 Q240 | Y151-K236 HydrophobicContact CD2-CB 4.24Å; Y151-K236 HydrophobicContact CE2-CB 4.11Å; Y151-K236 HydrophobicContact CE2-CD 3.95Å; I232-K236 WeakPolarHBondContact O-CG 3.44Å; I232-K236 PolarHBondContact O-N 3.28Å; I233-K236 WeakPolarHBondContact O-CB 3.24Å; I233-K236 PolarHBondContact O-N 3.1Å; Y234-K236 VanDerWaalsContact C-N 3.3Å; Y234-K236 PolarHBondContact O-N 2.95Å; K236-F239 PolarHBondContact O-N 2.9Å; K236-Q240 WeakPolarHBondContact O-CB 3.17Å; K236-Q240 PolarHBondContact O-N 2.69Å |
| 237 | V | 93.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 74.5 Ų | 74.5 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -59.5 | -49.1 | 177.3 | 169.7 | 0 | 0 | 0 | 0 | 110.7 | Y151 V154 I233 Y234 F239 Q240 L241 S267 | Y151-V237 HydrophobicContact CD2-CG2 4.49Å; V154-V237 HydrophobicContact CB-CG1 4.34Å; V154-V237 HydrophobicContact CG1-CG1 4.34Å; V154-V237 HydrophobicContact CG2-CG1 4.17Å; I233-V237 HydrophobicContact CG2-CG2 4.36Å; I233-V237 WeakPolarHBondContact O-CG2 3.28Å; I233-V237 PolarHBondContact O-N 3.16Å; Y234-V237 PolarHBondContact O-N 3.03Å; V237-F239 PolarHBondContact O-N 3.41Å; V237-Q240 PolarHBondContact O-N 3.42Å; V237-L241 HydrophobicContact CG1-CD1 3.94Å; V237-L241 HydrophobicContact CG1-CG 4.35Å; V237-L241 VanDerWaalsContact O-CG 3.31Å; V237-L241 WeakPolarHBondContact O-CG 3.34Å; V237-L241 PolarHBondContact O-N 3.01Å; V237-S267 WeakPolarHBondContact CG1-OG 3.47Å |
| 238 | F | 91 | Very high | 90.3 | Very high | 126 Ų | 126 | 75.3 Ų | 75.3 | 55% | 0.553 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -61.8 | -45.2 | -179.4 | -178.2 | -98.4 | 0 | 0 | 0 | 112 | Y234 Q240 L241 K242 | Y234-F238 WeakPolarHBondContact O-CB 3.21Å; Y234-F238 PolarHBondContact O-N 2.9Å; F238-Q240 VanDerWaalsContact C-N 3.34Å; F238-Q240 PolarHBondContact O-N 3.24Å; F238-L241 PolarHBondContact O-N 2.04Å; F238-K242 WeakPolarHBondContact O-CB 3.49Å; F238-K242 PolarHBondContact O-N 2.76Å |
| 239 | F | 92.4 | Very high | 89.2 | Confident | 126 Ų | 126 | 75.6 Ų | 75.6 | 55% | 0.553 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -60.4 | -45.4 | 176.6 | -174.7 | -101.1 | 0 | 0 | 0 | 111.5 | T235 K236 V237 L241 K242 M243 | T235-F239 WeakPolarHBondContact O-CB 3.44Å; T235-F239 PolarHBondContact O-N 3.43Å; K236-F239 PolarHBondContact O-N 2.9Å; V237-F239 PolarHBondContact O-N 3.41Å; F239-L241 PolarHBondContact O-N 2.79Å; F239-K242 WeakPolarHBondContact O-CB 3.11Å; F239-K242 PolarHBondContact O-N 3.35Å; F239-M243 HydrophobicContact CD1-CG 4.25Å; F239-M243 HydrophobicContact CD1-SD 3.79Å; F239-M243 HydrophobicContact CE1-CE 4.47Å; F239-M243 HydrophobicContact CE1-CG 3.96Å; F239-M243 HydrophobicContact CE1-SD 3.23Å; F239-M243 WeakPolarHBondContact CE1-SD 3.41Å; F239-M243 HydrophobicContact CZ-CG 4.24Å; F239-M243 HydrophobicContact CZ-SD 3.87Å; F239-M243 WeakPolarHBondContact O-CG 3.17Å; F239-M243 PolarHBondContact O-N 3.24Å |
| 240 | Q | 92.4 | Very high | 87.7 | Confident | 74 Ų | 74 | 80.8 Ų | 80.8 | 35% | 0.346 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64.7 | -40.7 | 178.2 | -171.9 | 67.2 | 10.2 | 0 | 0 | 112.3 | V154 C155 K236 V237 F238 K242 M243 A244 | V154-Q240 HydrophobicContact CG1-CB 3.98Å; V154-Q240 HydrophobicContact CG1-CG 3.87Å; C155-Q240 HydrophobicContact CB-CG 4.49Å; K236-Q240 WeakPolarHBondContact O-CB 3.17Å; K236-Q240 PolarHBondContact O-N 2.69Å; V237-Q240 PolarHBondContact O-N 3.42Å; F238-Q240 VanDerWaalsContact C-N 3.34Å; F238-Q240 PolarHBondContact O-N 3.24Å; Q240-K242 VanDerWaalsContact C-N 3.33Å; Q240-K242 PolarHBondContact O-N 3.33Å; Q240-M243 PolarHBondContact O-N 3.24Å; Q240-A244 WeakPolarHBondContact O-CB 3.19Å; Q240-A244 PolarHBondContact O-N 3.34Å |
| 241 | L | 89.5 | Confident | 86.2 | Confident | 13 Ų | 13 | 90.7 Ų | 90.7 | 7% | 0.068 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -60.9 | -42.5 | 173.9 | -72.5 | 173.3 | 0 | 0 | 0 | 111.4 | V154 V237 F238 F239 A244 N245 L260 E263 T264 | V154-L241 HydrophobicContact CG1-CD2 3.72Å; V154-L241 HydrophobicContact CG1-CG 3.83Å; V154-L241 HydrophobicContact CG2-CD2 4.07Å; V237-L241 HydrophobicContact CG1-CD1 3.94Å; V237-L241 HydrophobicContact CG1-CG 4.35Å; V237-L241 VanDerWaalsContact O-CG 3.31Å; V237-L241 WeakPolarHBondContact O-CG 3.34Å; V237-L241 PolarHBondContact O-N 3.01Å; F238-L241 PolarHBondContact O-N 2.04Å; F239-L241 PolarHBondContact O-N 2.79Å; L241-A244 PolarHBondContact O-N 3.2Å; L241-N245 WeakPolarHBondContact O-CB 3.27Å; L241-N245 PolarHBondContact O-N 3.46Å; L241-L260 HydrophobicContact CD2-CD1 3.54Å; L241-E263 HydrophobicContact CD2-CB 4.48Å; L241-T264 HydrophobicContact CD1-CG2 4.4Å |
| 242 | K | 89 | Confident | 84.8 | Confident | 106 Ų | 106 | 88 Ų | 88 | 46% | 0.461 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -63.2 | -43.6 | 177 | -170.1 | 178.3 | -177.5 | 177.2 | 0 | 111.6 | F238 F239 Q240 N245 R246 | F238-K242 WeakPolarHBondContact O-CB 3.49Å; F238-K242 PolarHBondContact O-N 2.76Å; F239-K242 WeakPolarHBondContact O-CB 3.11Å; F239-K242 PolarHBondContact O-N 3.35Å; Q240-K242 VanDerWaalsContact C-N 3.33Å; Q240-K242 PolarHBondContact O-N 3.33Å; K242-N245 PolarHBondContact O-N 2.66Å; K242-R246 WeakPolarHBondContact O-CG 3.22Å; K242-R246 PolarHBondContact O-N 2.94Å; K242-R246 VanDerWaalsContact O-N 3.12Å |
| 243 | M | 89 | Confident | 83.9 | Confident | 76 Ų | 76 | 93.1 Ų | 93.1 | 37% | 0.374 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -63.6 | -44.5 | 175.5 | -69.9 | -172.5 | 87.2 | 0 | 0 | 112 | F239 Q240 R246 K247 | F239-M243 HydrophobicContact CD1-CG 4.25Å; F239-M243 HydrophobicContact CD1-SD 3.79Å; F239-M243 HydrophobicContact CE1-CE 4.47Å; F239-M243 HydrophobicContact CE1-CG 3.96Å; F239-M243 HydrophobicContact CE1-SD 3.23Å; F239-M243 WeakPolarHBondContact CE1-SD 3.41Å; F239-M243 HydrophobicContact CZ-CG 4.24Å; F239-M243 HydrophobicContact CZ-SD 3.87Å; F239-M243 WeakPolarHBondContact O-CG 3.17Å; F239-M243 PolarHBondContact O-N 3.24Å; Q240-M243 PolarHBondContact O-N 3.24Å; M243-R246 PolarHBondContact O-N 3.04Å; M243-K247 WeakPolarHBondContact O-CG 3.31Å; M243-K247 PolarHBondContact O-N 2.71Å; M243-K247 VanDerWaalsContact O-N 3.09Å |
| 244 | A | 85.9 | Confident | 83.1 | Confident | 19 Ų | 19 | 98.6 Ų | 98.6 | 16% | 0.157 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -62.1 | -43.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q240 L241 R246 K247 F248 L260 | Q240-A244 WeakPolarHBondContact O-CB 3.19Å; Q240-A244 PolarHBondContact O-N 3.34Å; L241-A244 PolarHBondContact O-N 3.2Å; A244-R246 VanDerWaalsContact C-N 3.34Å; A244-R246 PolarHBondContact O-N 3.3Å; A244-K247 PolarHBondContact O-N 3.36Å; A244-F248 HydrophobicContact CB-CD2 4.2Å; A244-F248 HydrophobicContact CB-CE2 4.1Å; A244-F248 WeakPolarHBondContact O-CB 3.06Å; A244-F248 WeakPolarHBondContact O-CD2 3.31Å; A244-F248 WeakPolarHBondContact O-CG 3.38Å; A244-F248 PolarHBondContact O-N 3.26Å; A244-L260 HydrophobicContact CB-CD1 3.85Å; A244-L260 HydrophobicContact CB-CD2 4.23Å |
| 245 | N | 85.3 | Confident | 82.2 | Confident | 105 Ų | 105 | 100 Ų | 100 | 56% | 0.561 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -61.1 | -41.8 | 178.7 | -164.8 | 33.3 | 0 | 0 | 0 | 112 | L241 K242 F248 S249 L260 | L241-N245 WeakPolarHBondContact O-CB 3.27Å; L241-N245 PolarHBondContact O-N 3.46Å; K242-N245 PolarHBondContact O-N 2.66Å; N245-F248 PolarHBondContact O-N 2.86Å; N245-S249 PolarHBondContact O-N 3.3Å; N245-S249 VanDerWaalsContact O-N 3.08Å; N245-L260 HydrophobicContact CB-CD2 3.92Å |
| 246 | R | 85.1 | Confident | 81.6 | Confident | 177 Ų | 177 | 98 Ų | 98 | 67% | 0.668 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -61.6 | -47.4 | 174.8 | -72.9 | 178.1 | 176.1 | -170.4 | -4.1 | 112.1 | K242 M243 A244 F248 S249 | K242-R246 WeakPolarHBondContact O-CG 3.22Å; K242-R246 PolarHBondContact O-N 2.94Å; K242-R246 VanDerWaalsContact O-N 3.12Å; M243-R246 PolarHBondContact O-N 3.04Å; A244-R246 VanDerWaalsContact C-N 3.34Å; A244-R246 PolarHBondContact O-N 3.3Å; R246-F248 VanDerWaalsContact C-N 3.34Å; R246-F248 PolarHBondContact O-N 3.39Å; R246-S249 PolarHBondContact O-N 3.25Å |
| 247 | K | 82 | Confident | 80.8 | Confident | 156 Ų | 156 | 98.8 Ų | 98.8 | 68% | 0.678 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -62.3 | -40.3 | 178.5 | -71.4 | -177.6 | -178.9 | -175 | 0 | 112.1 | M243 A244 | M243-K247 WeakPolarHBondContact O-CG 3.31Å; M243-K247 PolarHBondContact O-N 2.71Å; M243-K247 VanDerWaalsContact O-N 3.09Å; A244-K247 PolarHBondContact O-N 3.36Å |
| 248 | F | 73.6 | Confident | 80.1 | Confident | 57 Ų | 57 | 103 Ų | 103 | 25% | 0.25 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -84.5 | -9.3 | -175.3 | -66.6 | -52.4 | 0 | 0 | 0 | 115.4 | A244 N245 R246 H250 T252 Q256 R257 L260 | A244-F248 HydrophobicContact CB-CD2 4.2Å; A244-F248 HydrophobicContact CB-CE2 4.1Å; A244-F248 WeakPolarHBondContact O-CB 3.06Å; A244-F248 WeakPolarHBondContact O-CD2 3.31Å; A244-F248 WeakPolarHBondContact O-CG 3.38Å; A244-F248 PolarHBondContact O-N 3.26Å; N245-F248 PolarHBondContact O-N 2.86Å; R246-F248 VanDerWaalsContact C-N 3.34Å; R246-F248 PolarHBondContact O-N 3.39Å; F248-H250 PolarHBondContact O-N 3.16Å; F248-T252 WeakPolarHBondContact CA-OG1 3.35Å; F248-T252 HydrophobicContact CD1-CG2 3.34Å; F248-T252 WeakPolarHBondContact CD1-OG1 3.4Å; F248-T252 HydrophobicContact CE1-CG2 3.76Å; F248-T252 HydrophobicContact CG-CG2 4.37Å; F248-T252 PolarHBondContact O-OG1 3.2Å; F248-Q256 HydrophobicContact CE1-CB 4.33Å; F248-R257 PolarHBondContact O-NE 3.43Å; F248-R257 PolarHBondContact O-NH2 3.35Å; F248-L260 HydrophobicContact CD2-CD2 4.09Å |
| 249 | S | 69.6 | Low | 79.4 | Confident | 77 Ų | 77 | 98.6 Ų | 98.6 | 54% | 0.538 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -58.2 | -38.2 | 172.2 | -168.9 | 0 | 0 | 0 | 0 | 111 | N245 R246 R257 | N245-S249 PolarHBondContact O-N 3.3Å; N245-S249 VanDerWaalsContact O-N 3.08Å; R246-S249 PolarHBondContact O-N 3.25Å; S249-R257 PolarHBondContact O-NH2 3Å |
| 250 | H | 65.9 | Low | 78.9 | Confident | 166 Ų | 166 | 93.5 Ų | 93.5 | 77% | 0.769 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | -19.9 | -158.6 | -121.5 | -71.7 | 0 | 0 | 0 | 117.6 | F248 | F248-H250 PolarHBondContact O-N 3.16Š|
| 251 | K | 61 | Low | 78.4 | Confident | 209 Ų | 209 | 92.5 Ų | 92.5 | 91% | 0.909 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -166.6 | 22.2 | -173.6 | -116 | 163.8 | -172.2 | -176.8 | 0 | 117.9 | ||
| 252 | T | 64.5 | Low | 78 | Confident | 37 Ų | 37 | 92.5 Ų | 92.5 | 23% | 0.227 | 43% | 0.432 | C | S | . | . | trans | -110.3 | 147.2 | -156.1 | -19.5 | 0 | 0 | 0 | 0 | 116.9 | F248 Q256 | F248-T252 WeakPolarHBondContact CA-OG1 3.35Å; F248-T252 HydrophobicContact CD1-CG2 3.34Å; F248-T252 WeakPolarHBondContact CD1-OG1 3.4Å; F248-T252 HydrophobicContact CE1-CG2 3.76Å; F248-T252 HydrophobicContact CG-CG2 4.37Å; F248-T252 PolarHBondContact O-OG1 3.2Å; T252-Q256 HydrophobicContact CG2-CB 4.25Å | ||
| 253 | R | 74.8 | Confident | 77.6 | Confident | 195 Ų | 195 | 88.2 Ų | 88.2 | 74% | 0.736 | 41% | 0.414 | S | S | * | . | trans | -51.1 | 134.4 | 172.2 | -75.4 | -179.9 | 172.8 | 176.1 | -2.8 | 112.3 | S255 Q256 | R253-S255 PolarHBondContact O-N 2.71Å; R253-Q256 PolarHBondContact O-N 2.95Å | ||
| 254 | Q | 79.9 | Confident | 77.4 | Confident | 134 Ų | 134 | 86.6 Ų | 86.6 | 63% | 0.626 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -51.5 | -29.9 | 179.4 | -165.4 | -178.4 | 14.5 | 0 | 0 | 113.7 | R257 R258 | Q254-R257 PolarHBondContact O-N 3.33Å; Q254-R258 WeakPolarHBondContact O-CG 3.45Å; Q254-R258 PolarHBondContact O-N 3.2Å; Q254-R258 VanDerWaalsContact O-N 3.1Å |
| 255 | S | 75 | Confident | 77.3 | Confident | 47 Ų | 47 | 88 Ų | 88 | 33% | 0.329 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -64.7 | -41.1 | 177.8 | 57 | 0 | 0 | 0 | 0 | 113.6 | R253 R258 R259 F333 | R253-S255 PolarHBondContact O-N 2.71Å; S255-R258 PolarHBondContact O-N 3.39Å; S255-R259 PolarHBondContact O-N 3.29Å; S255-R259 VanDerWaalsContact O-N 3.07Å; S255-F333 VanDerWaalsContact OG-CE2 3.28Å; S255-F333 WeakPolarHBondContact OG-CE2 3.36Å |
| 256 | Q | 79.9 | Confident | 77.2 | Confident | 47 Ų | 47 | 83.8 Ų | 83.8 | 22% | 0.22 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -69.3 | -37.4 | 178.8 | -77.3 | 179.6 | -41.8 | 0 | 0 | 111.4 | F248 T252 R253 R259 L260 F333 | F248-Q256 HydrophobicContact CE1-CB 4.33Å; T252-Q256 HydrophobicContact CG2-CB 4.25Å; R253-Q256 PolarHBondContact O-N 2.95Å; Q256-R259 PolarHBondContact O-N 2.68Å; Q256-L260 PolarHBondContact O-N 3.45Å; Q256-F333 HydrophobicContact CG-CE1 4.43Å; Q256-F333 HydrophobicContact CG-CE2 4.21Å; Q256-F333 HydrophobicContact CG-CZ 3.55Å |
| 257 | R | 78.6 | Confident | 77.2 | Confident | 128 Ų | 128 | 75.4 Ų | 75.4 | 48% | 0.483 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.4 | -44.1 | 172.7 | -72.7 | -173.5 | 177.2 | 179.5 | 0.7 | 111.9 | F248 S249 Q254 R259 L260 A261 | F248-R257 PolarHBondContact O-NE 3.43Å; F248-R257 PolarHBondContact O-NH2 3.35Å; S249-R257 PolarHBondContact O-NH2 3Å; Q254-R257 PolarHBondContact O-N 3.33Å; R257-R259 VanDerWaalsContact C-N 3.34Å; R257-R259 PolarHBondContact O-N 2.89Å; R257-L260 PolarHBondContact O-N 3.39Å; R257-A261 WeakPolarHBondContact O-CB 3.08Å; R257-A261 PolarHBondContact O-N 2.97Å |
| 258 | R | 78 | Confident | 77.4 | Confident | 89 Ų | 89 | 71.9 Ų | 71.9 | 34% | 0.336 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.6 | -41.4 | 176.3 | -71 | -179.7 | -168.9 | -175.2 | 5.5 | 112.1 | Q254 S255 A261 S262 | Q254-R258 WeakPolarHBondContact O-CG 3.45Å; Q254-R258 PolarHBondContact O-N 3.2Å; Q254-R258 VanDerWaalsContact O-N 3.1Å; S255-R258 PolarHBondContact O-N 3.39Å; R258-A261 PolarHBondContact O-N 2.96Å; R258-S262 PolarHBondContact O-N 3.12Å; R258-S262 PolarHBondContact O-OG 2.83Å |
| 259 | R | 75.5 | Confident | 77.9 | Confident | 32 Ų | 32 | 69.4 Ų | 69.4 | 12% | 0.121 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.4 | -52.6 | 174 | -178.4 | -172.2 | 177 | 175.3 | 8.8 | 111.3 | L157 S255 Q256 R257 A261 S262 E263 E337 | L157-R259 VanDerWaalsContact CD2-NH1 3.32Å; L157-R259 VanDerWaalsContact CG-NH2 3.32Å; S255-R259 PolarHBondContact O-N 3.29Å; S255-R259 VanDerWaalsContact O-N 3.07Å; Q256-R259 PolarHBondContact O-N 2.68Å; R257-R259 VanDerWaalsContact C-N 3.34Å; R257-R259 PolarHBondContact O-N 2.89Å; R259-A261 VanDerWaalsContact C-N 3.26Å; R259-A261 PolarHBondContact O-N 3.14Å; R259-S262 WeakPolarHBondContact CA-OG 3.35Å; R259-S262 PolarHBondContact O-N 3.39Å; R259-S262 PolarHBondContact O-OG 2.99Å; R259-E263 HydrophobicContact CG-CG 4.29Å; R259-E263 WeakPolarHBondContact O-CG 3.49Å; R259-E263 PolarHBondContact O-N 3.37Å; R259-E337 IonicContact CZ-OE2 3.84Å; R259-E337 IonicContact NH1-OE1 3.49Å; R259-E337 PolarHBondContact NH1-OE1 3.18Å; R259-E337 IonicContact NH1-OE2 3.97Å; R259-E337 PolarHBondContact NH1-OE2 3.02Å |
| 260 | L | 81.6 | Confident | 78.6 | Confident | 20 Ų | 20 | 65.9 Ų | 65.9 | 11% | 0.105 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -58.6 | -41.5 | -179.6 | -176.9 | 66 | 0 | 0 | 0 | 111.2 | L241 A244 N245 F248 Q256 R257 E263 T264 | L241-L260 HydrophobicContact CD2-CD1 3.54Å; A244-L260 HydrophobicContact CB-CD1 3.85Å; A244-L260 HydrophobicContact CB-CD2 4.23Å; N245-L260 HydrophobicContact CB-CD2 3.92Å; F248-L260 HydrophobicContact CD2-CD2 4.09Å; Q256-L260 PolarHBondContact O-N 3.45Å; R257-L260 PolarHBondContact O-N 3.39Å; L260-E263 PolarHBondContact O-N 3.12Å; L260-T264 VanDerWaalsContact O-CB 3.22Å; L260-T264 WeakPolarHBondContact O-CB 3.36Å; L260-T264 PolarHBondContact O-N 2.79Å; L260-T264 PolarHBondContact O-OG1 3.48Å |
| 261 | A | 82.6 | Confident | 79.6 | Confident | 52 Ų | 52 | 60.7 Ų | 60.7 | 43% | 0.43 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59.9 | -45.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | R257 R258 R259 T264 Q265 | R257-A261 WeakPolarHBondContact O-CB 3.08Å; R257-A261 PolarHBondContact O-N 2.97Å; R258-A261 PolarHBondContact O-N 2.96Å; R259-A261 VanDerWaalsContact C-N 3.26Å; R259-A261 PolarHBondContact O-N 3.14Å; A261-T264 PolarHBondContact O-N 2.86Å; A261-Q265 VanDerWaalsContact O-CB 3.29Å; A261-Q265 WeakPolarHBondContact O-CB 3.38Å; A261-Q265 PolarHBondContact O-N 3.05Å |
| 262 | S | 80.4 | Confident | 80.8 | Confident | 14 Ų | 14 | 53.3 Ų | 53.3 | 10% | 0.098 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.2 | -43.7 | 177.1 | 66.6 | 0 | 0 | 0 | 0 | 112.9 | R258 R259 Q265 L266 | R258-S262 PolarHBondContact O-N 3.12Å; R258-S262 PolarHBondContact O-OG 2.83Å; R259-S262 WeakPolarHBondContact CA-OG 3.35Å; R259-S262 PolarHBondContact O-N 3.39Å; R259-S262 PolarHBondContact O-OG 2.99Å; S262-Q265 PolarHBondContact O-N 2.86Å; S262-L266 VanDerWaalsContact O-CG 3.28Å; S262-L266 WeakPolarHBondContact O-CG 3.26Å; S262-L266 PolarHBondContact O-N 2.93Å |
| 263 | E | 82.1 | Confident | 81.8 | Confident | 15 Ų | 15 | 52.5 Ų | 52.5 | 7% | 0.07 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -69.5 | -37.4 | 178.3 | -65.1 | -61.4 | 161.4 | 0 | 0 | 111.9 | R150 V154 L241 R259 L260 Q265 L266 S267 | R150-E263 IonicContact CZ-OE2 2.73Å; R150-E263 IonicContact NH1-OE2 3.87Å; R150-E263 PolarHBondContact NH1-OE2 3.34Å; V154-E263 HydrophobicContact CG2-CB 4.15Å; L241-E263 HydrophobicContact CD2-CB 4.48Å; R259-E263 HydrophobicContact CG-CG 4.29Å; R259-E263 WeakPolarHBondContact O-CG 3.49Å; R259-E263 PolarHBondContact O-N 3.37Å; L260-E263 PolarHBondContact O-N 3.12Å; E263-Q265 VanDerWaalsContact C-N 3.34Å; E263-L266 PolarHBondContact O-N 3.35Å; E263-S267 WeakPolarHBondContact O-CB 3.38Å; E263-S267 PolarHBondContact O-N 3.49Å; E263-S267 PolarHBondContact O-OG 3.14Å |
| 264 | T | 83.5 | Confident | 82.3 | Confident | 43 Ų | 43 | 43.7 Ų | 43.7 | 26% | 0.264 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -62.8 | -45.1 | 174.4 | -57.5 | 0 | 0 | 0 | 0 | 110.2 | L241 L260 A261 S267 I268 | L241-T264 HydrophobicContact CD1-CG2 4.4Å; L260-T264 VanDerWaalsContact O-CB 3.22Å; L260-T264 WeakPolarHBondContact O-CB 3.36Å; L260-T264 PolarHBondContact O-N 2.79Å; L260-T264 PolarHBondContact O-OG1 3.48Å; A261-T264 PolarHBondContact O-N 2.86Å; T264-S267 PolarHBondContact O-N 3.12Å; T264-I268 HydrophobicContact CG2-CD1 3.92Å; T264-I268 HydrophobicContact CG2-CG1 4.48Å; T264-I268 VanDerWaalsContact O-CG1 3.28Å; T264-I268 WeakPolarHBondContact O-CG1 3.47Å; T264-I268 PolarHBondContact O-N 3.29Å |
| 265 | Q | 84.9 | Confident | 82.7 | Confident | 48 Ų | 48 | 39.8 Ų | 39.8 | 22% | 0.224 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.5 | -45.8 | 178.8 | -173.3 | 180 | -18.5 | 0 | 0 | 111.9 | A261 S262 E263 S267 I268 E269 Y318 | A261-Q265 VanDerWaalsContact O-CB 3.29Å; A261-Q265 WeakPolarHBondContact O-CB 3.38Å; A261-Q265 PolarHBondContact O-N 3.05Å; S262-Q265 PolarHBondContact O-N 2.86Å; E263-Q265 VanDerWaalsContact C-N 3.34Å; Q265-S267 VanDerWaalsContact C-N 3.27Å; Q265-S267 PolarHBondContact O-N 2.99Å; Q265-I268 PolarHBondContact O-N 2.77Å; Q265-E269 PolarHBondContact O-N 3.28Å; Q265-Y318 HydrophobicContact CG-CD1 4.25Å; Q265-Y318 VanDerWaalsContact NE2-CD1 3.3Å; Q265-Y318 PolarHBondContact NE2-O 2.96Å |
| 266 | L | 82.1 | Confident | 83.3 | Confident | 17 Ų | 17 | 38.4 Ų | 38.4 | 9% | 0.089 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.1 | -34.5 | 175.5 | -68.3 | 171.8 | 0 | 0 | 0 | 112.1 | Y87 R150 S262 E263 A270 | Y87-L266 HydrophobicContact CD1-CD2 4.49Å; Y87-L266 HydrophobicContact CE1-CD2 3.74Å; R150-L266 VanDerWaalsContact NH1-CD1 3.34Å; S262-L266 VanDerWaalsContact O-CG 3.28Å; S262-L266 WeakPolarHBondContact O-CG 3.26Å; S262-L266 PolarHBondContact O-N 2.93Å; E263-L266 PolarHBondContact O-N 3.35Å; L266-A270 WeakPolarHBondContact O-CB 3.31Å; L266-A270 PolarHBondContact O-N 3.03Å; L266-A270 VanDerWaalsContact O-N 3.1Å |
| 267 | S | 85 | Confident | 83.6 | Confident | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.007 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -70.6 | -40.7 | 176.4 | -57.5 | 0 | 0 | 0 | 0 | 111.5 | V237 E263 T264 Q265 A270 I271 | V237-S267 WeakPolarHBondContact CG1-OG 3.47Å; E263-S267 WeakPolarHBondContact O-CB 3.38Å; E263-S267 PolarHBondContact O-N 3.49Å; E263-S267 PolarHBondContact O-OG 3.14Å; T264-S267 PolarHBondContact O-N 3.12Å; Q265-S267 VanDerWaalsContact C-N 3.27Å; Q265-S267 PolarHBondContact O-N 2.99Å; S267-A270 PolarHBondContact O-N 3.02Å; S267-I271 WeakPolarHBondContact O-CB 3.47Å; S267-I271 WeakPolarHBondContact O-CD1 3.41Å; S267-I271 WeakPolarHBondContact O-CG1 3.12Å; S267-I271 PolarHBondContact O-N 2.89Å |
| 268 | I | 86.4 | Confident | 84 | Confident | 82 Ų | 82 | 32.3 Ų | 32.3 | 42% | 0.421 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -60.6 | -47.1 | 174.3 | -70.1 | 166 | 0 | 0 | 0 | 110.1 | T264 Q265 A270 I271 T272 | T264-I268 HydrophobicContact CG2-CD1 3.92Å; T264-I268 HydrophobicContact CG2-CG1 4.48Å; T264-I268 VanDerWaalsContact O-CG1 3.28Å; T264-I268 WeakPolarHBondContact O-CG1 3.47Å; T264-I268 PolarHBondContact O-N 3.29Å; Q265-I268 PolarHBondContact O-N 2.77Å; I268-A270 VanDerWaalsContact C-N 3.34Å; I268-A270 PolarHBondContact O-N 3.28Å; I268-I271 PolarHBondContact O-N 3.4Å; I268-T272 WeakPolarHBondContact O-CB 3.29Å; I268-T272 PolarHBondContact O-N 2.9Å; I268-T272 PolarHBondContact O-OG1 3.14Å |
| 269 | E | 83.8 | Confident | 84.5 | Confident | 5 Ų | 5 | 32.1 Ų | 32.1 | 2% | 0.023 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -54 | -50.7 | 175.8 | 177.8 | -177.4 | 161.4 | 0 | 0 | 111.3 | Q265 I271 T272 M273 T315 Y318 | Q265-E269 PolarHBondContact O-N 3.28Å; E269-I271 VanDerWaalsContact C-N 3.35Å; E269-I271 PolarHBondContact O-N 2.85Å; E269-T272 PolarHBondContact O-N 2.97Å; E269-M273 HydrophobicContact CG-CE 3.71Å; E269-M273 HydrophobicContact CG-SD 4.5Å; E269-M273 WeakPolarHBondContact O-CG 3.44Å; E269-M273 PolarHBondContact O-N 3.32Å; E269-M273 VanDerWaalsContact OE1-CE 3.31Å; E269-M273 WeakPolarHBondContact OE1-CE 3.2Å; E269-T315 WeakPolarHBondContact OE1-CA 3.45Å; E269-T315 VanDerWaalsContact OE1-CB 3.28Å; E269-T315 WeakPolarHBondContact OE1-CB 3.35Å; E269-T315 PolarHBondContact OE1-OG1 2.77Å; E269-Y318 HydrophobicContact CB-CD2 4.28Å; E269-Y318 HydrophobicContact CG-CD2 4.35Å |
| 270 | A | 84.7 | Confident | 85.1 | Confident | 2 Ų | 2 | 31.3 Ų | 31.3 | 2% | 0.017 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -69.1 | -32.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | I146 R150 Y234 L266 S267 I268 T274 | I146-A270 HydrophobicContact CG2-CB 4.22Å; R150-A270 HydrophobicContact CG-CB 4.4Å; Y234-A270 HydrophobicContact CE1-CB 3.89Å; Y234-A270 WeakPolarHBondContact OH-CB 3.37Å; Y234-A270 PolarHBondContact OH-O 3.49Å; L266-A270 WeakPolarHBondContact O-CB 3.31Å; L266-A270 PolarHBondContact O-N 3.03Å; L266-A270 VanDerWaalsContact O-N 3.1Å; S267-A270 PolarHBondContact O-N 3.02Å; I268-A270 VanDerWaalsContact C-N 3.34Å; I268-A270 PolarHBondContact O-N 3.28Å; A270-T274 WeakPolarHBondContact O-CB 3.33Å; A270-T274 PolarHBondContact O-N 3.42Å; A270-T274 PolarHBondContact O-OG1 3.09Å |
| 271 | I | 86.6 | Confident | 85.3 | Confident | 57 Ų | 57 | 32.5 Ų | 32.5 | 29% | 0.292 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -66.5 | -45.2 | 170.9 | -71.1 | 165.3 | 0 | 0 | 0 | 110.7 | Y234 S267 I268 E269 M273 T274 A275 | Y234-I271 HydrophobicContact CD1-CD1 4.11Å; Y234-I271 HydrophobicContact CD1-CG1 3.45Å; Y234-I271 VanDerWaalsContact CD1-CG1 3.45Å; Y234-I271 HydrophobicContact CD2-CG1 4.2Å; Y234-I271 HydrophobicContact CE1-CG1 3.97Å; Y234-I271 HydrophobicContact CG-CD1 4.38Å; Y234-I271 HydrophobicContact CG-CG1 3.6Å; S267-I271 WeakPolarHBondContact O-CB 3.47Å; S267-I271 WeakPolarHBondContact O-CD1 3.41Å; S267-I271 WeakPolarHBondContact O-CG1 3.12Å; S267-I271 PolarHBondContact O-N 2.89Å; I268-I271 PolarHBondContact O-N 3.4Å; E269-I271 VanDerWaalsContact C-N 3.35Å; E269-I271 PolarHBondContact O-N 2.85Å; I271-M273 VanDerWaalsContact C-N 3.34Å; I271-M273 PolarHBondContact O-N 2.91Å; I271-T274 WeakPolarHBondContact O-CB 3.4Å; I271-T274 PolarHBondContact O-N 3.3Å; I271-A275 WeakPolarHBondContact O-CB 3.42Å; I271-A275 PolarHBondContact O-N 3.44Å |
| 272 | T | 87.8 | Confident | 85.5 | Confident | 54 Ų | 54 | 33.2 Ų | 33.2 | 33% | 0.331 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -61.4 | -42.9 | 178.2 | -60.2 | 0 | 0 | 0 | 0 | 111.3 | I268 E269 A275 G276 | I268-T272 WeakPolarHBondContact O-CB 3.29Å; I268-T272 PolarHBondContact O-N 2.9Å; I268-T272 PolarHBondContact O-OG1 3.14Å; E269-T272 PolarHBondContact O-N 2.97Å; T272-A275 PolarHBondContact O-N 2.83Å; T272-G276 PolarHBondContact O-N 3.37Å |
| 273 | M | 84.2 | Confident | 85.7 | Confident | 21 Ų | 21 | 33.9 Ų | 33.9 | 10% | 0.103 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.6 | -50.3 | 172 | -67.7 | 174.3 | 178.5 | 0 | 0 | 110.7 | E269 I271 A275 G276 L277 Y307 C311 T315 | E269-M273 HydrophobicContact CG-CE 3.71Å; E269-M273 HydrophobicContact CG-SD 4.5Å; E269-M273 WeakPolarHBondContact O-CG 3.44Å; E269-M273 PolarHBondContact O-N 3.32Å; E269-M273 VanDerWaalsContact OE1-CE 3.31Å; E269-M273 WeakPolarHBondContact OE1-CE 3.2Å; I271-M273 VanDerWaalsContact C-N 3.34Å; I271-M273 PolarHBondContact O-N 2.91Å; M273-A275 VanDerWaalsContact C-N 3.33Å; M273-A275 PolarHBondContact O-N 3.3Å; M273-G276 PolarHBondContact O-N 2.88Å; M273-G276 VanDerWaalsContact O-N 3.08Å; M273-L277 PolarHBondContact O-N 2.87Å; M273-Y307 WeakPolarHBondContact O-CE2 3.23Å; M273-Y307 PolarHBondContact O-OH 3.46Å; M273-C311 HydrophobicContact CE-CB 4.35Å; M273-C311 HydrophobicContact CG-CB 4.21Å; M273-T315 WeakPolarHBondContact CE-OG1 3.36Å |
| 274 | T | 86.7 | Confident | 85.8 | Confident | 10 Ų | 10 | 35.2 Ų | 35.2 | 6% | 0.061 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -57.1 | -46.4 | 179.8 | -60.2 | 0 | 0 | 0 | 0 | 111.8 | L230 Y234 A270 I271 G276 L277 C278 | L230-T274 HydrophobicContact CB-CG2 3.85Å; L230-T274 HydrophobicContact CD1-CG2 3.88Å; L230-T274 HydrophobicContact CG-CG2 4.34Å; Y234-T274 HydrophobicContact CD2-CG2 4.34Å; Y234-T274 HydrophobicContact CE2-CG2 4.17Å; Y234-T274 WeakPolarHBondContact CE2-OG1 3.31Å; A270-T274 WeakPolarHBondContact O-CB 3.33Å; A270-T274 PolarHBondContact O-N 3.42Å; A270-T274 PolarHBondContact O-OG1 3.09Å; I271-T274 WeakPolarHBondContact O-CB 3.4Å; I271-T274 PolarHBondContact O-N 3.3Å; T274-G276 VanDerWaalsContact C-N 3.31Å; T274-G276 PolarHBondContact O-N 2.88Å; T274-L277 WeakPolarHBondContact O-CB 3.34Å; T274-L277 PolarHBondContact O-N 3.38Å; T274-L277 VanDerWaalsContact O-N 3.17Å; T274-C278 PolarHBondContact O-N 3.49Å; T274-C278 PolarHBondContact O-SG 3.05Å |
| 275 | A | 87.1 | Confident | 85.8 | Confident | 51 Ų | 51 | 35.1 Ų | 35.1 | 42% | 0.421 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -59.4 | -41.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | I271 T272 M273 C278 T279 | I271-A275 WeakPolarHBondContact O-CB 3.42Å; I271-A275 PolarHBondContact O-N 3.44Å; T272-A275 PolarHBondContact O-N 2.83Å; M273-A275 VanDerWaalsContact C-N 3.33Å; M273-A275 PolarHBondContact O-N 3.3Å; A275-C278 WeakPolarHBondContact O-CB 3.19Å; A275-C278 PolarHBondContact O-N 3.29Å; A275-T279 PolarHBondContact O-N 2.99Å; A275-T279 PolarHBondContact O-OG1 3.38Å; A275-T279 VanDerWaalsContact O-OG1 3.04Å |
| 276 | G | 86.9 | Confident | 85.7 | Confident | 18 Ų | 18 | 36.3 Ų | 36.3 | 19% | 0.186 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.7 | -39.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | T272 M273 T274 C278 T279 V280 Y307 | T272-G276 PolarHBondContact O-N 3.37Å; M273-G276 PolarHBondContact O-N 2.88Å; M273-G276 VanDerWaalsContact O-N 3.08Å; T274-G276 VanDerWaalsContact C-N 3.31Å; T274-G276 PolarHBondContact O-N 2.88Å; G276-C278 VanDerWaalsContact C-N 3.34Å; G276-C278 PolarHBondContact O-N 2.9Å; G276-T279 PolarHBondContact O-N 3.39Å; G276-V280 WeakPolarHBondContact O-CG2 3.17Å; G276-V280 PolarHBondContact O-N 3.26Å; G276-Y307 VanDerWaalsContact CA-CD2 3.49Å |
| 277 | L | 86.8 | Confident | 85.7 | Confident | 16 Ų | 16 | 36.9 Ų | 36.9 | 8% | 0.084 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.5 | -43.6 | 173.6 | 179.4 | 63.8 | 0 | 0 | 0 | 111.2 | L140 V143 M273 T274 T279 V280 W281 Y307 | L140-L277 HydrophobicContact CD1-CD2 3.7Å; V143-L277 HydrophobicContact CG1-CD2 4.31Å; M273-L277 PolarHBondContact O-N 2.87Å; T274-L277 WeakPolarHBondContact O-CB 3.34Å; T274-L277 PolarHBondContact O-N 3.38Å; T274-L277 VanDerWaalsContact O-N 3.17Å; L277-T279 VanDerWaalsContact C-N 3.34Å; L277-V280 PolarHBondContact O-N 2.91Å; L277-W281 WeakPolarHBondContact O-CB 3.33Å; L277-W281 PolarHBondContact O-N 3.5Å; L277-Y307 HydrophobicContact CB-CE1 4.15Å; L277-Y307 HydrophobicContact CB-CE2 4.47Å; L277-Y307 WeakPolarHBondContact CB-OH 3.46Å; L277-Y307 HydrophobicContact CD1-CE1 4.3Å; L277-Y307 VanDerWaalsContact N-CZ 3.31Å |
| 278 | C | 87.7 | Confident | 85.5 | Confident | 32 Ų | 32 | 37.7 Ų | 37.7 | 22% | 0.216 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -57.6 | -49.4 | 174.7 | -56.9 | 0 | 0 | 0 | 0 | 110.7 | L227 T274 A275 G276 V280 W281 V282 | L227-C278 HydrophobicContact CD1-CB 4.32Å; L227-C278 WeakPolarHBondContact CD1-SG 3.41Å; T274-C278 PolarHBondContact O-N 3.49Å; T274-C278 PolarHBondContact O-SG 3.05Å; A275-C278 WeakPolarHBondContact O-CB 3.19Å; A275-C278 PolarHBondContact O-N 3.29Å; G276-C278 VanDerWaalsContact C-N 3.34Å; G276-C278 PolarHBondContact O-N 2.9Å; C278-V280 PolarHBondContact O-N 3.1Å; C278-W281 PolarHBondContact O-N 3.26Å; C278-V282 WeakPolarHBondContact O-CB 3.42Å; C278-V282 VanDerWaalsContact O-CG2 3.24Å; C278-V282 WeakPolarHBondContact O-CG2 3.35Å; C278-V282 PolarHBondContact O-N 2.8Å |
| 279 | T | 87.9 | Confident | 85.1 | Confident | 84 Ų | 84 | 37.2 Ų | 37.2 | 52% | 0.515 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -58.1 | -50.5 | 179.7 | -59.8 | 0 | 0 | 0 | 0 | 110.6 | A275 G276 L277 W281 V282 T283 | A275-T279 PolarHBondContact O-N 2.99Å; A275-T279 PolarHBondContact O-OG1 3.38Å; A275-T279 VanDerWaalsContact O-OG1 3.04Å; G276-T279 PolarHBondContact O-N 3.39Å; L277-T279 VanDerWaalsContact C-N 3.34Å; T279-W281 VanDerWaalsContact C-N 3.33Å; T279-W281 PolarHBondContact O-N 2.9Å; T279-V282 PolarHBondContact O-N 2.9Å; T279-T283 HydrophobicContact CG2-CG2 4.32Å; T279-T283 WeakPolarHBondContact O-CB 3.47Å; T279-T283 VanDerWaalsContact O-CG2 3.24Å; T279-T283 WeakPolarHBondContact O-CG2 3.49Å; T279-T283 PolarHBondContact O-N 3.5Å; T279-T283 PolarHBondContact O-OG1 3.39Å; T279-T283 VanDerWaalsContact O-OG1 3.05Å |
| 280 | V | 87.8 | Confident | 85.1 | Confident | 15 Ų | 15 | 44.6 Ų | 44.6 | 9% | 0.091 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61 | -41.4 | 179.3 | 170.7 | 0 | 0 | 0 | 0 | 112 | G276 L277 C278 T283 S284 Y307 | G276-V280 WeakPolarHBondContact O-CG2 3.17Å; G276-V280 PolarHBondContact O-N 3.26Å; L277-V280 PolarHBondContact O-N 2.91Å; C278-V280 PolarHBondContact O-N 3.1Å; V280-T283 WeakPolarHBondContact CA-OG1 3.25Å; V280-T283 PolarHBondContact O-OG1 3.4Å; V280-S284 WeakPolarHBondContact O-CB 3.39Å; V280-S284 PolarHBondContact O-N 2.91Å; V280-S284 PolarHBondContact O-OG 3.47Å; V280-Y307 HydrophobicContact CG2-CD1 4.16Å; V280-Y307 HydrophobicContact CG2-CD2 4.48Å; V280-Y307 HydrophobicContact CG2-CG 3.78Å |
| 281 | W | 86.3 | Confident | 85 | Confident | 46 Ų | 46 | 46.3 Ų | 46.3 | 17% | 0.174 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -69.4 | -47.3 | -179.8 | -176.9 | 78.9 | 0 | 0 | 0 | 111.4 | V220 N223 V224 L277 C278 T279 T283 S284 V285 | V220-W281 HydrophobicContact CG1-CZ2 4.19Å; N223-W281 HydrophobicContact CB-CD2 4.29Å; N223-W281 HydrophobicContact CB-CG 4.49Å; N223-W281 HydrophobicContact CB-CZ2 3.84Å; N223-W281 VanDerWaalsContact CB-NE1 3.28Å; N223-W281 VanDerWaalsContact CG-NE1 3.34Å; V224-W281 HydrophobicContact CG2-CH2 3.59Å; V224-W281 HydrophobicContact CG2-CZ2 4.12Å; V224-W281 HydrophobicContact CG2-CZ3 4.42Å; L277-W281 WeakPolarHBondContact O-CB 3.33Å; L277-W281 PolarHBondContact O-N 3.5Å; C278-W281 PolarHBondContact O-N 3.26Å; T279-W281 VanDerWaalsContact C-N 3.33Å; T279-W281 PolarHBondContact O-N 2.9Å; W281-T283 VanDerWaalsContact C-N 3.34Å; W281-T283 PolarHBondContact O-N 3.44Å; W281-S284 PolarHBondContact O-N 3.47Å; W281-S284 VanDerWaalsContact O-N 3.12Å; W281-V285 HydrophobicContact CD2-CG2 4.26Å; W281-V285 HydrophobicContact CZ2-CG2 4.01Å; W281-V285 WeakPolarHBondContact O-CG2 3.33Å; W281-V285 PolarHBondContact O-N 3.07Å |
| 282 | V | 85.8 | Confident | 84.6 | Confident | 66 Ų | 66 | 45.8 Ų | 45.8 | 40% | 0.4 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59.5 | -46.1 | 175.9 | 172.2 | 0 | 0 | 0 | 0 | 109.9 | C278 T279 S284 V285 M286 | C278-V282 WeakPolarHBondContact O-CB 3.42Å; C278-V282 VanDerWaalsContact O-CG2 3.24Å; C278-V282 WeakPolarHBondContact O-CG2 3.35Å; C278-V282 PolarHBondContact O-N 2.8Å; T279-V282 PolarHBondContact O-N 2.9Å; V282-S284 VanDerWaalsContact C-N 3.3Å; V282-S284 PolarHBondContact O-N 3.42Å; V282-V285 PolarHBondContact O-N 3.19Å; V282-M286 HydrophobicContact CG1-CG 3.75Å; V282-M286 WeakPolarHBondContact O-CB 3.5Å; V282-M286 WeakPolarHBondContact O-CG 3.42Å; V282-M286 PolarHBondContact O-N 3.21Å |
| 283 | T | 86.1 | Confident | 84.7 | Confident | 29 Ų | 29 | 46.5 Ų | 46.5 | 18% | 0.178 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.4 | -38.2 | 176.4 | 59.6 | 0 | 0 | 0 | 0 | 111.5 | T279 V280 W281 V285 M286 I287 N300 L303 | T279-T283 HydrophobicContact CG2-CG2 4.32Å; T279-T283 WeakPolarHBondContact O-CB 3.47Å; T279-T283 VanDerWaalsContact O-CG2 3.24Å; T279-T283 WeakPolarHBondContact O-CG2 3.49Å; T279-T283 PolarHBondContact O-N 3.5Å; T279-T283 PolarHBondContact O-OG1 3.39Å; T279-T283 VanDerWaalsContact O-OG1 3.05Å; V280-T283 WeakPolarHBondContact CA-OG1 3.25Å; V280-T283 PolarHBondContact O-OG1 3.4Å; W281-T283 VanDerWaalsContact C-N 3.34Å; W281-T283 PolarHBondContact O-N 3.44Å; T283-V285 VanDerWaalsContact C-N 3.31Å; T283-V285 PolarHBondContact O-N 3.37Å; T283-M286 PolarHBondContact O-N 3.41Å; T283-I287 HydrophobicContact CG2-CD1 4.44Å; T283-I287 WeakPolarHBondContact O-CB 3.26Å; T283-I287 VanDerWaalsContact O-CG1 3.22Å; T283-I287 WeakPolarHBondContact O-CG1 3.34Å; T283-I287 PolarHBondContact O-N 3.29Å; T283-N300 WeakPolarHBondContact CB-OD1 3.46Å; T283-N300 PolarHBondContact OG1-OD1 2.94Å; T283-L303 HydrophobicContact CG2-CD1 4.49Å |
| 284 | S | 84.5 | Confident | 84.8 | Confident | 42 Ų | 42 | 46.8 Ų | 46.8 | 29% | 0.294 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -67.6 | -29.6 | 179.2 | -62.6 | 0 | 0 | 0 | 0 | 113.7 | V280 W281 V282 P288 N300 | V280-S284 WeakPolarHBondContact O-CB 3.39Å; V280-S284 PolarHBondContact O-N 2.91Å; V280-S284 PolarHBondContact O-OG 3.47Å; W281-S284 PolarHBondContact O-N 3.47Å; W281-S284 VanDerWaalsContact O-N 3.12Å; V282-S284 VanDerWaalsContact C-N 3.3Å; V282-S284 PolarHBondContact O-N 3.42Å; S284-P288 WeakPolarHBondContact O-CD 3.28Å; S284-P288 VanDerWaalsContact O-CG 3.26Å; S284-P288 WeakPolarHBondContact O-CG 3.39Å; S284-N300 WeakPolarHBondContact CA-ND2 3.31Å; S284-N300 WeakPolarHBondContact CA-OD1 3.27Å; S284-N300 PolarHBondContact N-OD1 2.97Å; S284-N300 VanDerWaalsContact N-OD1 3.14Å; S284-N300 PolarHBondContact OG-ND2 2.83Å; S284-N300 PolarHBondContact OG-OD1 3.29Å |
| 285 | V | 83 | Confident | 85.1 | Confident | 42 Ų | 42 | 50.9 Ų | 50.9 | 26% | 0.255 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -85.7 | -43.7 | 175.2 | 175.7 | 0 | 0 | 0 | 0 | 111.1 | W281 V282 T283 L289 | W281-V285 HydrophobicContact CD2-CG2 4.26Å; W281-V285 HydrophobicContact CZ2-CG2 4.01Å; W281-V285 WeakPolarHBondContact O-CG2 3.33Å; W281-V285 PolarHBondContact O-N 3.07Å; V282-V285 PolarHBondContact O-N 3.19Å; T283-V285 VanDerWaalsContact C-N 3.31Å; T283-V285 PolarHBondContact O-N 3.37Å; V285-L289 HydrophobicContact CG1-CD1 4.32Å; V285-L289 WeakPolarHBondContact O-CD1 3.26Å; V285-L289 WeakPolarHBondContact O-CG 3.32Å |
| 286 | M | 82.5 | Confident | 85.3 | Confident | 73 Ų | 73 | 53.6 Ų | 53.6 | 36% | 0.36 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -79.2 | -37.1 | -172.3 | -62.5 | -58.1 | -65.7 | 0 | 0 | 113.3 | V282 T283 L289 F290 | V282-M286 HydrophobicContact CG1-CG 3.75Å; V282-M286 WeakPolarHBondContact O-CB 3.5Å; V282-M286 WeakPolarHBondContact O-CG 3.42Å; V282-M286 PolarHBondContact O-N 3.21Å; T283-M286 PolarHBondContact O-N 3.41Å; M286-L289 VanDerWaalsContact O-CB 3.31Å; M286-L289 WeakPolarHBondContact O-CB 3.42Å; M286-L289 PolarHBondContact O-N 2.9Å; M286-L289 VanDerWaalsContact O-N 3.11Å; M286-L289 HydrophobicContact SD-CD1 4.09Å; M286-F290 HydrophobicContact CB-CD2 4.25Å; M286-F290 HydrophobicContact CB-CE2 4.01Å; M286-F290 HydrophobicContact CE-CD2 4.46Å; M286-F290 HydrophobicContact CE-CE2 3.37Å; M286-F290 HydrophobicContact CE-CZ 3.55Å; M286-F290 WeakPolarHBondContact O-CD2 3.44Å; M286-F290 PolarHBondContact O-N 2.89Å; M286-F290 VanDerWaalsContact O-N 3.14Å |
| 287 | I | 83.1 | Confident | 85.4 | Confident | 29 Ų | 29 | 53.1 Ų | 53.1 | 15% | 0.149 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61 | -49.6 | -178.1 | -71.3 | 170.7 | 0 | 0 | 0 | 111.3 | T283 L289 F290 T291 F296 M297 N300 | T283-I287 HydrophobicContact CG2-CD1 4.44Å; T283-I287 WeakPolarHBondContact O-CB 3.26Å; T283-I287 VanDerWaalsContact O-CG1 3.22Å; T283-I287 WeakPolarHBondContact O-CG1 3.34Å; T283-I287 PolarHBondContact O-N 3.29Å; I287-L289 PolarHBondContact O-N 3.43Å; I287-F290 PolarHBondContact O-N 2.72Å; I287-F290 VanDerWaalsContact O-N 3.11Å; I287-T291 HydrophobicContact CG2-CG2 4.05Å; I287-T291 PolarHBondContact O-N 2.85Å; I287-T291 VanDerWaalsContact O-O 3.07Å; I287-F296 HydrophobicContact CG2-CB 3.93Å; I287-M297 HydrophobicContact CG2-SD 4.27Å; I287-N300 HydrophobicContact CD1-CB 3.8Å |
| 288 | P | 80.1 | Confident | 85.6 | Confident | 17 Ų | 17 | 52.8 Ų | 52.8 | 11% | 0.11 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.9 | -26.3 | 175.1 | -25.7 | 35 | 0 | 0 | 0 | 115 | W29 S284 M292 M297 | W29-P288 HydrophobicContact CH2-CB 3.41Å; W29-P288 VanDerWaalsContact CH2-CB 3.41Å; W29-P288 HydrophobicContact CH2-CG 4.14Å; W29-P288 HydrophobicContact CZ2-CB 4.11Å; W29-P288 HydrophobicContact CZ3-CB 4.08Å; S284-P288 WeakPolarHBondContact O-CD 3.28Å; S284-P288 VanDerWaalsContact O-CG 3.26Å; S284-P288 WeakPolarHBondContact O-CG 3.39Å; P288-M292 WeakPolarHBondContact O-CE 2.91Å; P288-M297 VanDerWaalsContact CA-CE 3.47Å; P288-M297 HydrophobicContact CB-CE 3.64Å; P288-M297 HydrophobicContact CB-SD 4.47Å; P288-M297 HydrophobicContact CG-CE 3.74Å; P288-M297 HydrophobicContact CG-SD 3.9Å |
| 289 | L | 77.6 | Confident | 85.8 | Confident | 73 Ų | 73 | 55 Ų | 55 | 38% | 0.382 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -71.2 | -36.9 | 176.3 | -79.4 | 170.2 | 0 | 0 | 0 | 112.3 | T25 W29 V285 M286 I287 | T25-L289 HydrophobicContact CG2-CD2 3.83Å; W29-L289 HydrophobicContact CZ2-CD2 3.94Å; W29-L289 HydrophobicContact CZ2-CG 3.79Å; V285-L289 HydrophobicContact CG1-CD1 4.32Å; V285-L289 WeakPolarHBondContact O-CD1 3.26Å; V285-L289 WeakPolarHBondContact O-CG 3.32Å; M286-L289 VanDerWaalsContact O-CB 3.31Å; M286-L289 WeakPolarHBondContact O-CB 3.42Å; M286-L289 PolarHBondContact O-N 2.9Å; M286-L289 VanDerWaalsContact O-N 3.11Å; M286-L289 HydrophobicContact SD-CD1 4.09Å; I287-L289 PolarHBondContact O-N 3.43Å |
| 290 | F | 83.1 | Confident | 85.9 | Confident | 159 Ų | 159 | 51.4 Ų | 51.4 | 70% | 0.697 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -91.1 | -32.6 | -176.7 | -68 | -60.7 | 0 | 0 | 0 | 113.2 | M286 I287 | M286-F290 HydrophobicContact CB-CD2 4.25Å; M286-F290 HydrophobicContact CB-CE2 4.01Å; M286-F290 HydrophobicContact CE-CD2 4.46Å; M286-F290 HydrophobicContact CE-CE2 3.37Å; M286-F290 HydrophobicContact CE-CZ 3.55Å; M286-F290 WeakPolarHBondContact O-CD2 3.44Å; M286-F290 PolarHBondContact O-N 2.89Å; M286-F290 VanDerWaalsContact O-N 3.14Å; I287-F290 PolarHBondContact O-N 2.72Å; I287-F290 VanDerWaalsContact O-N 3.11Å |
| 291 | T | 83.4 | Confident | 85.9 | Confident | 39 Ų | 39 | 50.9 Ų | 50.9 | 24% | 0.239 | 26% | 0.257 | C | S | . | . | trans | -152.5 | 134.8 | -172.7 | -177.3 | 0 | 0 | 0 | 0 | 112.2 | I287 N293 F296 M297 | I287-T291 HydrophobicContact CG2-CG2 4.05Å; I287-T291 PolarHBondContact O-N 2.85Å; I287-T291 VanDerWaalsContact O-O 3.07Å; T291-N293 VanDerWaalsContact C-N 3.31Å; T291-N293 VanDerWaalsContact OG1-CB 3.23Å; T291-N293 WeakPolarHBondContact OG1-CB 3.32Å; T291-N293 PolarHBondContact OG1-N 3.12Å; T291-N293 VanDerWaalsContact OG1-N 3.17Å; T291-F296 HydrophobicContact CG2-CB 3.68Å; T291-F296 HydrophobicContact CG2-CD1 4.16Å; T291-F296 HydrophobicContact CG2-CD2 4.12Å; T291-F296 HydrophobicContact CG2-CG 3.73Å; T291-M297 WeakPolarHBondContact O-CE 3.22Å | ||
| 292 | M | 79.3 | Confident | 86.2 | Confident | 46 Ų | 46 | 49.2 Ų | 49.2 | 23% | 0.227 | 25% | 0.253 | C | S | . | . | trans | -96.3 | 16.1 | 170.2 | -70.4 | -62.5 | -179.6 | 0 | 0 | 112.3 | V32 F33 L36 P288 R294 M297 | V32-M292 HydrophobicContact CG1-CE 3.6Å; V32-M292 HydrophobicContact CG1-CG 4.18Å; F33-M292 HydrophobicContact CD2-CE 3.94Å; F33-M292 HydrophobicContact CE2-CE 3.33Å; F33-M292 HydrophobicContact CZ-CE 3.77Å; L36-M292 HydrophobicContact CD1-CE 3.92Å; L36-M292 HydrophobicContact CD1-CG 4.13Å; L36-M292 HydrophobicContact CD1-SD 3.81Å; P288-M292 WeakPolarHBondContact O-CE 2.91Å; M292-R294 PolarHBondContact O-N 3.18Å; M292-M297 HydrophobicContact SD-CE 3.73Å | ||
| 293 | N | 88 | Confident | 86.4 | Confident | 69 Ų | 69 | 49.5 Ų | 49.5 | 37% | 0.369 | 25% | 0.252 | S | S | . | . | trans | -71.7 | 123.3 | 178.1 | -178.1 | -32.2 | 0 | 0 | 0 | 110.2 | T291 W295 F296 M297 | T291-N293 VanDerWaalsContact C-N 3.31Å; T291-N293 VanDerWaalsContact OG1-CB 3.23Å; T291-N293 WeakPolarHBondContact OG1-CB 3.32Å; T291-N293 PolarHBondContact OG1-N 3.12Å; T291-N293 VanDerWaalsContact OG1-N 3.17Å; N293-W295 PolarHBondContact O-N 3.44Å; N293-W295 VanDerWaalsContact O-N 3.12Å; N293-W295 WeakPolarHBondContact OD1-CB 3.49Å; N293-W295 PolarHBondContact OD1-N 3.48Å; N293-F296 HydrophobicContact CB-CD2 3.67Å; N293-F296 HydrophobicContact CB-CE2 4.31Å; N293-F296 PolarHBondContact O-N 3.32Å; N293-F296 VanDerWaalsContact O-N 3.09Å; N293-M297 PolarHBondContact O-N 3.05Å | ||
| 294 | R | 88.3 | Confident | 86.4 | Confident | 26 Ų | 26 | 49.4 Ų | 49.4 | 10% | 0.098 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -54.2 | -32.3 | -177.6 | 68.6 | -177.1 | 63.2 | 164.8 | -1.5 | 113.7 | D47 Y201 M292 M297 L298 | D47-R294 IonicContact OD2-CZ 3.03Å; D47-R294 IonicContact OD2-NH1 3.99Å; D47-R294 PolarHBondContact OD2-NH1 2.86Å; Y201-R294 HydrophobicContact CD2-CB 4.28Å; Y201-R294 HydrophobicContact CE2-CB 4.35Å; Y201-R294 HydrophobicContact CE2-CG 4.29Å; M292-R294 PolarHBondContact O-N 3.18Å; R294-M297 PolarHBondContact O-N 2.78Å; R294-L298 WeakPolarHBondContact O-CB 3.49Å; R294-L298 PolarHBondContact O-N 3.11Å |
| 295 | W | 91.4 | Very high | 86.6 | Confident | 96 Ų | 96 | 47.5 Ų | 47.5 | 36% | 0.364 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -72.3 | -37.8 | -178.3 | -61.5 | 116 | 0 | 0 | 0 | 111.4 | D47 V50 N293 M297 L298 V299 | D47-W295 HydrophobicContact CB-CH2 4.34Å; D47-W295 HydrophobicContact CB-CZ2 4.31Å; V50-W295 HydrophobicContact CB-CH2 4.25Å; V50-W295 HydrophobicContact CB-CZ3 4.48Å; V50-W295 HydrophobicContact CG1-CH2 4.04Å; V50-W295 HydrophobicContact CG1-CZ3 3.89Å; N293-W295 PolarHBondContact O-N 3.44Å; N293-W295 VanDerWaalsContact O-N 3.12Å; N293-W295 WeakPolarHBondContact OD1-CB 3.49Å; N293-W295 PolarHBondContact OD1-N 3.48Å; W295-M297 VanDerWaalsContact C-N 3.34Å; W295-L298 HydrophobicContact CE3-CD2 3.84Å; W295-L298 HydrophobicContact CZ3-CD2 3.92Å; W295-L298 WeakPolarHBondContact O-CB 3.5Å; W295-L298 PolarHBondContact O-N 3.26Å; W295-V299 VanDerWaalsContact O-CG2 3.32Å; W295-V299 WeakPolarHBondContact O-CG2 3.45Å; W295-V299 PolarHBondContact O-N 2.84Å |
| 296 | F | 91 | Very high | 86.8 | Confident | 109 Ų | 109 | 49 Ų | 49 | 48% | 0.478 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -67.4 | -37.4 | 173.2 | -72.6 | -92.2 | 0 | 0 | 0 | 111.7 | I287 T291 N293 V299 N300 | I287-F296 HydrophobicContact CG2-CB 3.93Å; T291-F296 HydrophobicContact CG2-CB 3.68Å; T291-F296 HydrophobicContact CG2-CD1 4.16Å; T291-F296 HydrophobicContact CG2-CD2 4.12Å; T291-F296 HydrophobicContact CG2-CG 3.73Å; N293-F296 HydrophobicContact CB-CD2 3.67Å; N293-F296 HydrophobicContact CB-CE2 4.31Å; N293-F296 PolarHBondContact O-N 3.32Å; N293-F296 VanDerWaalsContact O-N 3.09Å; F296-V299 PolarHBondContact O-N 3.34Å; F296-N300 PolarHBondContact O-N 2.8Å |
| 297 | M | 89 | Confident | 87.1 | Confident | 8 Ų | 8 | 46.4 Ų | 46.4 | 4% | 0.039 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.7 | -40.7 | 174.1 | -66 | -66.7 | -169.8 | 0 | 0 | 112.3 | Y200 T202 I287 P288 T291 M292 N293 R294 W295 N300 S301 | Y200-M297 WeakPolarHBondContact O-CB 3.5Å; T202-M297 HydrophobicContact CG2-CB 4.21Å; T202-M297 HydrophobicContact CG2-CG 4.42Å; T202-M297 HydrophobicContact CG2-SD 4.26Å; I287-M297 HydrophobicContact CG2-SD 4.27Å; P288-M297 VanDerWaalsContact CA-CE 3.47Å; P288-M297 HydrophobicContact CB-CE 3.64Å; P288-M297 HydrophobicContact CB-SD 4.47Å; P288-M297 HydrophobicContact CG-CE 3.74Å; P288-M297 HydrophobicContact CG-SD 3.9Å; T291-M297 WeakPolarHBondContact O-CE 3.22Å; M292-M297 HydrophobicContact SD-CE 3.73Å; N293-M297 PolarHBondContact O-N 3.05Å; R294-M297 PolarHBondContact O-N 2.78Å; W295-M297 VanDerWaalsContact C-N 3.34Å; M297-N300 WeakPolarHBondContact O-CB 3.45Å; M297-N300 PolarHBondContact O-N 3.5Å; M297-S301 PolarHBondContact O-N 3.19Å |
| 298 | L | 91.8 | Very high | 87.1 | Confident | 8 Ų | 8 | 45.4 Ų | 45.4 | 4% | 0.042 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.7 | -46.3 | 172.2 | 176.5 | 63.5 | 0 | 0 | 0 | 111 | V54 L55 Y201 R294 W295 N300 S301 C302 | V54-L298 HydrophobicContact CB-CD2 4.26Å; V54-L298 HydrophobicContact CG1-CD1 4.33Å; V54-L298 HydrophobicContact CG1-CD2 4.1Å; V54-L298 HydrophobicContact CG1-CG 4.27Å; L55-L298 HydrophobicContact CD1-CD1 4.32Å; L55-L298 HydrophobicContact CD2-CD1 3.68Å; L55-L298 HydrophobicContact CG-CD1 3.64Å; Y201-L298 HydrophobicContact CD2-CB 4.01Å; Y201-L298 HydrophobicContact CD2-CD1 4.48Å; Y201-L298 HydrophobicContact CD2-CD2 4.39Å; Y201-L298 HydrophobicContact CG-CB 4.38Å; Y201-L298 HydrophobicContact CG-CD1 4.23Å; R294-L298 WeakPolarHBondContact O-CB 3.49Å; R294-L298 PolarHBondContact O-N 3.11Å; W295-L298 HydrophobicContact CE3-CD2 3.84Å; W295-L298 HydrophobicContact CZ3-CD2 3.92Å; W295-L298 WeakPolarHBondContact O-CB 3.5Å; W295-L298 PolarHBondContact O-N 3.26Å; L298-N300 VanDerWaalsContact C-N 3.29Å; L298-N300 PolarHBondContact O-N 3.29Å; L298-S301 WeakPolarHBondContact O-CB 3.47Å; L298-S301 PolarHBondContact O-N 3.11Å; L298-C302 PolarHBondContact O-N 2.9Å; L298-C302 PolarHBondContact O-SG 3.46Å |
| 299 | V | 91.6 | Very high | 87.3 | Confident | 80 Ų | 80 | 45 Ų | 45 | 49% | 0.485 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -58.4 | -43.2 | 175.9 | 169.3 | 0 | 0 | 0 | 0 | 110.6 | W295 F296 C302 L303 | W295-V299 VanDerWaalsContact O-CG2 3.32Å; W295-V299 WeakPolarHBondContact O-CG2 3.45Å; W295-V299 PolarHBondContact O-N 2.84Å; F296-V299 PolarHBondContact O-N 3.34Å; V299-C302 PolarHBondContact O-N 3.11Å; V299-L303 HydrophobicContact CG1-CD1 4.03Å; V299-L303 HydrophobicContact CG1-CG 4.31Å; V299-L303 WeakPolarHBondContact O-CG 3.12Å; V299-L303 PolarHBondContact O-N 3.37Å |
| 300 | N | 89.4 | Confident | 87.7 | Confident | 8 Ų | 8 | 45.9 Ų | 45.9 | 4% | 0.043 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.2 | -46 | 176.1 | -173 | 63.1 | 0 | 0 | 0 | 112.8 | T283 S284 I287 F296 M297 L298 C302 L303 S304 | T283-N300 WeakPolarHBondContact CB-OD1 3.46Å; T283-N300 PolarHBondContact OG1-OD1 2.94Å; S284-N300 WeakPolarHBondContact CA-ND2 3.31Å; S284-N300 WeakPolarHBondContact CA-OD1 3.27Å; S284-N300 PolarHBondContact N-OD1 2.97Å; S284-N300 VanDerWaalsContact N-OD1 3.14Å; S284-N300 PolarHBondContact OG-ND2 2.83Å; S284-N300 PolarHBondContact OG-OD1 3.29Å; I287-N300 HydrophobicContact CD1-CB 3.8Å; F296-N300 PolarHBondContact O-N 2.8Å; M297-N300 WeakPolarHBondContact O-CB 3.45Å; M297-N300 PolarHBondContact O-N 3.5Å; L298-N300 VanDerWaalsContact C-N 3.29Å; L298-N300 PolarHBondContact O-N 3.29Å; N300-C302 VanDerWaalsContact C-N 3.3Å; N300-C302 PolarHBondContact O-N 3.12Å; N300-L303 PolarHBondContact O-N 3.37Å; N300-S304 PolarHBondContact O-N 2.98Å |
| 301 | S | 89.5 | Confident | 87.7 | Confident | 3 Ų | 3 | 38.8 Ų | 38.8 | 2% | 0.021 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57.4 | -44.4 | 173.6 | -75.1 | 0 | 0 | 0 | 0 | 111.5 | Y201 M297 L298 S304 V305 | Y201-S301 WeakPolarHBondContact O-CB 3.42Å; Y201-S301 PolarHBondContact O-OG 3.47Å; M297-S301 PolarHBondContact O-N 3.19Å; L298-S301 WeakPolarHBondContact O-CB 3.47Å; L298-S301 PolarHBondContact O-N 3.11Å; S301-S304 PolarHBondContact O-N 2.65Å; S301-V305 WeakPolarHBondContact O-CG2 2.93Å; S301-V305 PolarHBondContact O-N 3.46Å; S301-V305 VanDerWaalsContact O-N 3.12Å |
| 302 | C | 91.7 | Very high | 87.6 | Confident | 12 Ų | 12 | 37 Ų | 37 | 8% | 0.081 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.6 | -40.2 | 178.2 | -64.8 | 0 | 0 | 0 | 0 | 112 | V54 A58 L298 V299 N300 S304 V305 I306 | V54-C302 VanDerWaalsContact CG1-SG 3.6Å; A58-C302 HydrophobicContact CB-CB 4.29Å; L298-C302 PolarHBondContact O-N 2.9Å; L298-C302 PolarHBondContact O-SG 3.46Å; V299-C302 PolarHBondContact O-N 3.11Å; N300-C302 VanDerWaalsContact C-N 3.3Å; N300-C302 PolarHBondContact O-N 3.12Å; C302-S304 VanDerWaalsContact C-N 3.32Å; C302-S304 PolarHBondContact O-N 3.09Å; C302-V305 PolarHBondContact O-N 3.38Å; C302-I306 HydrophobicContact CB-CD1 4.38Å; C302-I306 VanDerWaalsContact O-CB 3.31Å; C302-I306 WeakPolarHBondContact O-CB 3.32Å; C302-I306 WeakPolarHBondContact O-CD1 3.33Å; C302-I306 WeakPolarHBondContact O-CG1 3.18Å; C302-I306 PolarHBondContact O-N 2.91Å |
| 303 | L | 90 | Very high | 87.8 | Confident | 71 Ų | 71 | 37.5 Ų | 37.5 | 37% | 0.372 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -59.8 | -42.9 | 175.1 | -75.7 | 169.9 | 0 | 0 | 0 | 111.4 | T283 V299 N300 V305 I306 Y307 | T283-L303 HydrophobicContact CG2-CD1 4.49Å; V299-L303 HydrophobicContact CG1-CD1 4.03Å; V299-L303 HydrophobicContact CG1-CG 4.31Å; V299-L303 WeakPolarHBondContact O-CG 3.12Å; V299-L303 PolarHBondContact O-N 3.37Å; N300-L303 PolarHBondContact O-N 3.37Å; L303-V305 VanDerWaalsContact C-N 3.31Å; L303-V305 PolarHBondContact O-N 3.01Å; L303-I306 PolarHBondContact O-N 3.49Å; L303-Y307 WeakPolarHBondContact O-CB 3.32Å; L303-Y307 PolarHBondContact O-N 3.37Å |
| 304 | S | 86.5 | Confident | 87.5 | Confident | 27 Ų | 27 | 37 Ų | 37 | 19% | 0.189 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61 | -40.6 | 175.5 | -176.4 | 0 | 0 | 0 | 0 | 112.4 | N300 S301 C302 | N300-S304 PolarHBondContact O-N 2.98Å; S301-S304 PolarHBondContact O-N 2.65Å; C302-S304 VanDerWaalsContact C-N 3.32Å; C302-S304 PolarHBondContact O-N 3.09Å |
| 305 | V | 87.9 | Confident | 87 | Confident | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.012 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -70.7 | -47.8 | 179.4 | 167.7 | 0 | 0 | 0 | 0 | 110.8 | A58 S59 L102 Y105 S301 C302 L303 Y307 S308 S309 | A58-V305 VanDerWaalsContact C-CG1 3.41Å; A58-V305 HydrophobicContact CB-CG1 3.93Å; A58-V305 VanDerWaalsContact O-CG1 3.26Å; A58-V305 WeakPolarHBondContact O-CG1 3.36Å; S59-V305 VanDerWaalsContact CA-CG1 3.45Å; L102-V305 HydrophobicContact CD2-CB 4.34Å; L102-V305 HydrophobicContact CD2-CG1 3.59Å; L102-V305 HydrophobicContact CD2-CG2 4.47Å; Y105-V305 HydrophobicContact CD1-CG2 4.08Å; Y105-V305 HydrophobicContact CD2-CG2 3.89Å; Y105-V305 HydrophobicContact CE1-CG2 4Å; Y105-V305 HydrophobicContact CE2-CG2 3.82Å; Y105-V305 HydrophobicContact CG-CG2 4.03Å; S301-V305 WeakPolarHBondContact O-CG2 2.93Å; S301-V305 PolarHBondContact O-N 3.46Å; S301-V305 VanDerWaalsContact O-N 3.12Å; C302-V305 PolarHBondContact O-N 3.38Å; L303-V305 VanDerWaalsContact C-N 3.31Å; L303-V305 PolarHBondContact O-N 3.01Å; V305-Y307 VanDerWaalsContact C-N 3.31Å; V305-Y307 PolarHBondContact O-N 3.48Å; V305-S308 WeakPolarHBondContact O-CB 3.23Å; V305-S308 PolarHBondContact O-N 2.9Å; V305-S309 PolarHBondContact O-N 3.16Å; V305-S309 PolarHBondContact O-OG 3.41Å |
| 306 | I | 88.6 | Confident | 86.1 | Confident | 73 Ų | 73 | 35 Ų | 35 | 37% | 0.374 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -63 | -38.4 | 178.5 | -69.1 | 165.1 | 0 | 0 | 0 | 110.9 | A58 C302 L303 S308 S309 L310 | A58-I306 HydrophobicContact CB-CG1 4.47Å; C302-I306 HydrophobicContact CB-CD1 4.38Å; C302-I306 VanDerWaalsContact O-CB 3.31Å; C302-I306 WeakPolarHBondContact O-CB 3.32Å; C302-I306 WeakPolarHBondContact O-CD1 3.33Å; C302-I306 WeakPolarHBondContact O-CG1 3.18Å; C302-I306 PolarHBondContact O-N 2.91Å; L303-I306 PolarHBondContact O-N 3.49Å; I306-S308 VanDerWaalsContact C-N 3.29Å; I306-S308 PolarHBondContact O-N 3.07Å; I306-S309 CarbonylContact O-C 3.51Å; I306-S309 WeakPolarHBondContact O-CA 3.39Å; I306-S309 VanDerWaalsContact O-CB 3.23Å; I306-S309 WeakPolarHBondContact O-CB 3.5Å; I306-S309 PolarHBondContact O-N 3.49Å; I306-S309 VanDerWaalsContact O-N 3.07Å; I306-L310 HydrophobicContact CG2-CD1 3.95Å; I306-L310 HydrophobicContact CG2-CG 4.11Å; I306-L310 WeakPolarHBondContact O-CG 3.45Å; I306-L310 PolarHBondContact O-N 2.83Å |
| 307 | Y | 88 | Confident | 85.4 | Confident | 19 Ų | 19 | 31.5 Ų | 31.5 | 8% | 0.075 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -56.5 | -43 | 175.4 | 165.1 | -105.8 | 0 | 0 | 0 | 112.2 | M273 G276 L277 V280 L303 V305 S309 L310 C311 | M273-Y307 WeakPolarHBondContact O-CE2 3.23Å; M273-Y307 PolarHBondContact O-OH 3.46Å; G276-Y307 VanDerWaalsContact CA-CD2 3.49Å; L277-Y307 HydrophobicContact CB-CE1 4.15Å; L277-Y307 HydrophobicContact CB-CE2 4.47Å; L277-Y307 WeakPolarHBondContact CB-OH 3.46Å; L277-Y307 HydrophobicContact CD1-CE1 4.3Å; L277-Y307 VanDerWaalsContact N-CZ 3.31Å; V280-Y307 HydrophobicContact CG2-CD1 4.16Å; V280-Y307 HydrophobicContact CG2-CD2 4.48Å; V280-Y307 HydrophobicContact CG2-CG 3.78Å; L303-Y307 WeakPolarHBondContact O-CB 3.32Å; L303-Y307 PolarHBondContact O-N 3.37Å; V305-Y307 VanDerWaalsContact C-N 3.31Å; V305-Y307 PolarHBondContact O-N 3.48Å; Y307-S309 VanDerWaalsContact C-N 3.32Å; Y307-S309 PolarHBondContact O-N 3.49Å; Y307-L310 PolarHBondContact O-N 3.03Å; Y307-C311 WeakPolarHBondContact CE2-SG 2.88Å; Y307-C311 PolarHBondContact O-N 3.17Å; Y307-C311 PolarHBondContact O-SG 3.43Å; Y307-C311 PolarHBondContact OH-SG 3.14Å; Y307-C311 VanDerWaalsContact OH-SG 3.36Å |
| 308 | S | 83.8 | Confident | 84.6 | Confident | 8 Ų | 8 | 33.9 Ų | 33.9 | 6% | 0.056 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61 | -42.8 | 174.5 | 175.9 | 0 | 0 | 0 | 0 | 111.8 | N66 D98 V305 I306 L310 C311 A312 | N66-S308 PolarHBondContact ND2-OG 3.37Å; D98-S308 WeakPolarHBondContact CB-OG 3.3Å; D98-S308 WeakPolarHBondContact OD2-CB 3.47Å; D98-S308 PolarHBondContact OD2-OG 3.14Å; V305-S308 WeakPolarHBondContact O-CB 3.23Å; V305-S308 PolarHBondContact O-N 2.9Å; I306-S308 VanDerWaalsContact C-N 3.29Å; I306-S308 PolarHBondContact O-N 3.07Å; S308-L310 PolarHBondContact O-N 3.35Å; S308-C311 PolarHBondContact O-N 3.06Å; S308-A312 PolarHBondContact O-N 3.03Å; S308-A312 VanDerWaalsContact O-N 3.16Å |
| 309 | S | 84.5 | Confident | 83.4 | Confident | 9 Ų | 9 | 34.7 Ų | 34.7 | 6% | 0.063 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.6 | -44.8 | 174.5 | -46.6 | 0 | 0 | 0 | 0 | 112.2 | G62 V305 I306 Y307 A312 C313 | G62-S309 WeakPolarHBondContact CA-OG 3.31Å; G62-S309 PolarHBondContact N-OG 2.62Å; V305-S309 PolarHBondContact O-N 3.16Å; V305-S309 PolarHBondContact O-OG 3.41Å; I306-S309 CarbonylContact O-C 3.51Å; I306-S309 WeakPolarHBondContact O-CA 3.39Å; I306-S309 VanDerWaalsContact O-CB 3.23Å; I306-S309 WeakPolarHBondContact O-CB 3.5Å; I306-S309 PolarHBondContact O-N 3.49Å; I306-S309 VanDerWaalsContact O-N 3.07Å; Y307-S309 VanDerWaalsContact C-N 3.32Å; Y307-S309 PolarHBondContact O-N 3.49Å; S309-A312 PolarHBondContact O-N 3.27Å; S309-C313 WeakPolarHBondContact O-CB 3.4Å; S309-C313 PolarHBondContact O-N 2.71Å |
| 310 | L | 85.1 | Confident | 82.3 | Confident | 91 Ų | 91 | 39.4 Ų | 39.4 | 48% | 0.476 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -65.7 | -39.4 | 179.6 | -72.1 | 174.2 | 0 | 0 | 0 | 111.6 | I306 Y307 S308 C313 H314 | I306-L310 HydrophobicContact CG2-CD1 3.95Å; I306-L310 HydrophobicContact CG2-CG 4.11Å; I306-L310 WeakPolarHBondContact O-CG 3.45Å; I306-L310 PolarHBondContact O-N 2.83Å; Y307-L310 PolarHBondContact O-N 3.03Å; S308-L310 PolarHBondContact O-N 3.35Å; L310-C313 PolarHBondContact O-N 3.44Å; L310-H314 WeakPolarHBondContact O-CB 3.32Å; L310-H314 PolarHBondContact O-CD2 3.08Å; L310-H314 VanDerWaalsContact O-CD2 3.25Å; L310-H314 PolarHBondContact O-N 3.26Å |
| 311 | C | 83 | Confident | 81.2 | Confident | 11 Ų | 11 | 45.9 Ų | 45.9 | 7% | 0.074 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.6 | -50.7 | 174.7 | -69.4 | 0 | 0 | 0 | 0 | 111.2 | M273 Y307 S308 C313 H314 T315 | M273-C311 HydrophobicContact CE-CB 4.35Å; M273-C311 HydrophobicContact CG-CB 4.21Å; Y307-C311 WeakPolarHBondContact CE2-SG 2.88Å; Y307-C311 PolarHBondContact O-N 3.17Å; Y307-C311 PolarHBondContact O-SG 3.43Å; Y307-C311 PolarHBondContact OH-SG 3.14Å; Y307-C311 VanDerWaalsContact OH-SG 3.36Å; S308-C311 PolarHBondContact O-N 3.06Å; C311-C313 VanDerWaalsContact C-N 3.33Å; C311-C313 PolarHBondContact O-N 3.42Å; C311-H314 PolarHBondContact O-N 3.09Å; C311-T315 PolarHBondContact O-N 3.46Å; C311-T315 PolarHBondContact O-OG1 3.14Å |
| 312 | A | 80.7 | Confident | 79.7 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.008 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.8 | -40.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | L65 N66 C69 S308 S309 T315 Y316 | L65-A312 HydrophobicContact CB-CB 4.01Å; N66-A312 HydrophobicContact CB-CB 4.43Å; C69-A312 HydrophobicContact CB-CB 4.33Å; S308-A312 PolarHBondContact O-N 3.03Å; S308-A312 VanDerWaalsContact O-N 3.16Å; S309-A312 PolarHBondContact O-N 3.27Å; A312-T315 PolarHBondContact O-N 2.89Å; A312-Y316 VanDerWaalsContact O-CB 3.29Å; A312-Y316 WeakPolarHBondContact O-CB 3.22Å; A312-Y316 PolarHBondContact O-N 2.76Å |
| 313 | C | 83.3 | Confident | 77.9 | Confident | 57 Ų | 57 | 54.3 Ų | 54.3 | 39% | 0.385 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.9 | -44.5 | 176.9 | -172.3 | 0 | 0 | 0 | 0 | 111.8 | L65 S309 L310 C311 Y316 G317 | L65-C313 HydrophobicContact CD1-CB 4.26Å; L65-C313 HydrophobicContact CD2-CB 4.49Å; S309-C313 WeakPolarHBondContact O-CB 3.4Å; S309-C313 PolarHBondContact O-N 2.71Å; L310-C313 PolarHBondContact O-N 3.44Å; C311-C313 VanDerWaalsContact C-N 3.33Å; C311-C313 PolarHBondContact O-N 3.42Å; C313-Y316 PolarHBondContact O-N 3.13Å; C313-G317 PolarHBondContact O-N 2.88Å |
| 314 | H | 81.8 | Confident | 76.3 | Confident | 59 Ų | 59 | 59.6 Ų | 59.6 | 27% | 0.273 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.7 | -49.9 | 176.3 | -87.5 | -69.4 | 0 | 0 | 0 | 111.4 | L310 C311 Y316 G317 Y318 | L310-H314 WeakPolarHBondContact O-CB 3.32Å; L310-H314 PolarHBondContact O-CD2 3.08Å; L310-H314 VanDerWaalsContact O-CD2 3.25Å; L310-H314 PolarHBondContact O-N 3.26Å; C311-H314 PolarHBondContact O-N 3.09Å; H314-Y316 VanDerWaalsContact C-N 3.28Å; H314-Y316 PolarHBondContact O-N 2.74Å; H314-G317 PolarHBondContact O-N 3.41Å; H314-Y318 HydrophobicContact CB-CD2 4.24Å; H314-Y318 HydrophobicContact CB-CE2 4.21Å; H314-Y318 AromaticContact ND1-CE2 3.23Å; H314-Y318 WeakPolarHBondContact ND1-CE2 3.36Å; H314-Y318 AromaticContact ND1-CZ 3.94Å; H314-Y318 WeakPolarHBondContact O-CB 3.36Å; H314-Y318 WeakPolarHBondContact O-CD2 2.94Å; H314-Y318 PolarHBondContact O-N 3.23Å |
| 315 | T | 77.8 | Confident | 74.6 | Confident | 5 Ų | 5 | 63 Ų | 63 | 3% | 0.031 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -56.9 | -43.2 | 175.9 | -57.7 | 0 | 0 | 0 | 0 | 112.1 | V91 E269 M273 C311 A312 K319 | V91-T315 HydrophobicContact CG1-CG2 3.9Å; E269-T315 WeakPolarHBondContact OE1-CA 3.45Å; E269-T315 VanDerWaalsContact OE1-CB 3.28Å; E269-T315 WeakPolarHBondContact OE1-CB 3.35Å; E269-T315 PolarHBondContact OE1-OG1 2.77Å; M273-T315 WeakPolarHBondContact CE-OG1 3.36Å; C311-T315 PolarHBondContact O-N 3.46Å; C311-T315 PolarHBondContact O-OG1 3.14Å; A312-T315 PolarHBondContact O-N 2.89Å; T315-K319 WeakPolarHBondContact O-CB 3.38Å; T315-K319 PolarHBondContact O-N 2.95Å |
| 316 | Y | 74.1 | Confident | 72.6 | Confident | 75 Ų | 75 | 67.3 Ų | 67.3 | 29% | 0.294 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.7 | -54.8 | 178.4 | 174.6 | -112.2 | 0 | 0 | 0 | 112.5 | F72 A312 C313 H314 Y318 K319 R320 | F72-Y316 AromaticContact CD2-CD2 3.69Å; F72-Y316 HydrophobicContact CD2-CD2 3.69Å; F72-Y316 AromaticContact CD2-CE2 3.42Å; F72-Y316 HydrophobicContact CD2-CE2 3.42Å; F72-Y316 VanDerWaalsContact CD2-CE2 3.42Å; F72-Y316 AromaticContact CE2-CD2 3.97Å; F72-Y316 HydrophobicContact CE2-CD2 3.97Å; F72-Y316 AromaticContact CE2-CE2 3.25Å; F72-Y316 HydrophobicContact CE2-CE2 3.25Å; F72-Y316 HydrophobicContact CG-CD2 4.48Å; F72-Y316 HydrophobicContact CG-CE2 4.25Å; F72-Y316 AromaticContact CZ-CE2 3.91Å; F72-Y316 HydrophobicContact CZ-CE2 3.91Å; A312-Y316 VanDerWaalsContact O-CB 3.29Å; A312-Y316 WeakPolarHBondContact O-CB 3.22Å; A312-Y316 PolarHBondContact O-N 2.76Å; C313-Y316 PolarHBondContact O-N 3.13Å; H314-Y316 VanDerWaalsContact C-N 3.28Å; H314-Y316 PolarHBondContact O-N 2.74Å; Y316-Y318 VanDerWaalsContact C-N 3.32Å; Y316-Y318 PolarHBondContact O-N 3.15Å; Y316-K319 PolarHBondContact O-N 2.96Å; Y316-R320 PolarHBondContact O-N 3.22Å |
| 317 | G | 75.8 | Confident | 70.8 | Confident | 34 Ų | 34 | 68.6 Ų | 68.6 | 35% | 0.351 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60.4 | -39.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | C313 H314 | C313-G317 PolarHBondContact O-N 2.88Å; H314-G317 PolarHBondContact O-N 3.41Å |
| 318 | Y | 71.8 | Confident | 69.1 | Low | 58 Ų | 58 | 73.6 Ų | 73.6 | 23% | 0.227 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -74.3 | -35 | 179.4 | -74.9 | -55.2 | 0 | 0 | 0 | 113.2 | Q265 E269 H314 Y316 R320 K321 L322 | Q265-Y318 HydrophobicContact CG-CD1 4.25Å; Q265-Y318 VanDerWaalsContact NE2-CD1 3.3Å; Q265-Y318 PolarHBondContact NE2-O 2.96Å; E269-Y318 HydrophobicContact CB-CD2 4.28Å; E269-Y318 HydrophobicContact CG-CD2 4.35Å; H314-Y318 HydrophobicContact CB-CD2 4.24Å; H314-Y318 HydrophobicContact CB-CE2 4.21Å; H314-Y318 AromaticContact ND1-CE2 3.23Å; H314-Y318 WeakPolarHBondContact ND1-CE2 3.36Å; H314-Y318 AromaticContact ND1-CZ 3.94Å; H314-Y318 WeakPolarHBondContact O-CB 3.36Å; H314-Y318 WeakPolarHBondContact O-CD2 2.94Å; H314-Y318 PolarHBondContact O-N 3.23Å; Y316-Y318 VanDerWaalsContact C-N 3.32Å; Y316-Y318 PolarHBondContact O-N 3.15Å; Y318-R320 VanDerWaalsContact C-N 3.31Å; Y318-R320 PolarHBondContact O-N 3.41Å; Y318-K321 WeakPolarHBondContact O-CB 3.31Å; Y318-K321 PolarHBondContact O-N 3.25Å; Y318-K321 VanDerWaalsContact O-N 3.12Å; Y318-L322 PolarHBondContact O-N 3.37Å; Y318-L322 VanDerWaalsContact O-N 3.12Å |
| 319 | K | 66.6 | Low | 67.4 | Low | 26 Ų | 26 | 78.2 Ų | 78.2 | 11% | 0.113 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -62.5 | -38 | 175.2 | -174.9 | 174.7 | 173.8 | -178.1 | 0 | 112.2 | F72 L73 T315 Y316 K321 L322 H323 | F72-K319 PolarHBondContact O-NZ 3.34Å; L73-K319 HydrophobicContact CD2-CD 4.46Å; T315-K319 WeakPolarHBondContact O-CB 3.38Å; T315-K319 PolarHBondContact O-N 2.95Å; Y316-K319 PolarHBondContact O-N 2.96Å; K319-K321 PolarHBondContact O-N 3.34Å; K319-L322 PolarHBondContact O-N 2.87Å; K319-H323 PolarHBondContact O-N 2.81Å |
| 320 | R | 68.2 | Low | 65.7 | Low | 179 Ų | 179 | 81.7 Ų | 81.7 | 68% | 0.675 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -59.4 | -33.8 | 175.4 | -165.1 | 177.3 | -177.2 | -171.3 | 1.5 | 112 | Y316 Y318 | Y316-R320 PolarHBondContact O-N 3.22Å; Y318-R320 VanDerWaalsContact C-N 3.31Å; Y318-R320 PolarHBondContact O-N 3.41Å |
| 321 | K | 65.5 | Low | 63.8 | Low | 143 Ų | 143 | 86.1 Ų | 86.1 | 62% | 0.622 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -72.4 | -42.3 | 174.5 | -69.3 | -176.4 | 177.9 | 179.6 | 0 | 112.4 | Y318 K319 H323 K324 | Y318-K321 WeakPolarHBondContact O-CB 3.31Å; Y318-K321 PolarHBondContact O-N 3.25Å; Y318-K321 VanDerWaalsContact O-N 3.12Å; K319-K321 PolarHBondContact O-N 3.34Å; K321-H323 PolarHBondContact O-N 3.07Å; K321-K324 PolarHBondContact O-N 3.21Å |
| 322 | L | 58.6 | Low | 62.1 | Low | 45 Ų | 45 | 92.6 Ų | 92.6 | 24% | 0.236 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -64 | -36.9 | 178.2 | -102 | 141.6 | 0 | 0 | 0 | 112.9 | Y318 K319 K324 Q325 | Y318-L322 PolarHBondContact O-N 3.37Å; Y318-L322 VanDerWaalsContact O-N 3.12Å; K319-L322 PolarHBondContact O-N 2.87Å; L322-K324 PolarHBondContact O-N 3.33Å; L322-Q325 WeakPolarHBondContact O-CB 3.31Å; L322-Q325 PolarHBondContact O-N 3.22Å |
| 323 | H | 55.3 | Low | 60.6 | Low | 147 Ų | 147 | 94.5 Ų | 94.5 | 68% | 0.681 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -21.5 | 179.5 | -122.6 | -75.2 | 0 | 0 | 0 | 114.1 | K319 K321 Q325 | K319-H323 PolarHBondContact O-N 2.81Å; K321-H323 PolarHBondContact O-N 3.07Å; H323-Q325 PolarHBondContact O-N 3.43Å |
| 324 | K | 55.5 | Low | 59 | Low | 183 Ų | 183 | 93.5 Ų | 93.5 | 80% | 0.796 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -11.9 | 171.5 | -70.9 | -171.4 | 175.3 | -172.5 | 0 | 112.5 | K321 L322 | K321-K324 PolarHBondContact O-N 3.21Å; L322-K324 PolarHBondContact O-N 3.33Å |
| 325 | Q | 49.8 | Very low | 57.5 | Low | 97 Ų | 97 | 94.9 Ų | 94.9 | 45% | 0.453 | 46% | 0.463 | S | S | . | . | S | Bend | trans | -93.8 | 125.7 | 174.8 | -69.3 | -164.8 | -10.2 | 0 | 0 | 111.4 | L322 H323 S327 | L322-Q325 WeakPolarHBondContact O-CB 3.31Å; L322-Q325 PolarHBondContact O-N 3.22Å; H323-Q325 PolarHBondContact O-N 3.43Å; Q325-S327 PolarHBondContact O-N 3.12Å |
| 326 | P | 47.3 | Very low | 56.1 | Low | 94 Ų | 94 | 98 Ų | 98 | 61% | 0.61 | 48% | 0.48 | S | S | * | . | trans | -63.8 | 117.8 | -175.2 | 20.8 | -29.9 | 0 | 0 | 0 | 112 | V328 | P326-V328 VanDerWaalsContact C-N 3.32Å; P326-V328 PolarHBondContact O-N 3.19Å | ||
| 327 | S | 50.7 | Low | 54.9 | Low | 99 Ų | 99 | 96.3 Ų | 96.3 | 69% | 0.692 | 47% | 0.474 | S | S | * | . | G | 310 helix | trans | -76.4 | -9.6 | -170.6 | 64.9 | 0 | 0 | 0 | 0 | 115.3 | Q325 N329 Y330 | Q325-S327 PolarHBondContact O-N 3.12Å; S327-N329 PolarHBondContact O-N 3.09Å; S327-N329 VanDerWaalsContact O-N 3.14Å; S327-Y330 PolarHBondContact O-N 3.4Å |
| 328 | V | 51.4 | Low | 53.8 | Low | 124 Ų | 124 | 99.5 Ų | 99.5 | 75% | 0.752 | 48% | 0.482 | S | S | * | . | G | 310 helix | trans | -61.5 | -27.9 | -170.3 | -177.6 | 0 | 0 | 0 | 0 | 112.7 | P326 Y330 | P326-V328 VanDerWaalsContact C-N 3.32Å; P326-V328 PolarHBondContact O-N 3.19Å; V328-Y330 PolarHBondContact O-N 3.17Å |
| 329 | N | 49.4 | Very low | 52.7 | Low | 105 Ų | 105 | 102.7 Ų | 102.7 | 56% | 0.561 | 50% | 0.5 | S | S | * | . | G | 310 helix | trans | -83.1 | -9.9 | -175.1 | -85.3 | -32 | 0 | 0 | 0 | 115.8 | S327 K331 F333 | S327-N329 PolarHBondContact O-N 3.09Å; S327-N329 VanDerWaalsContact O-N 3.14Å; N329-K331 PolarHBondContact O-N 3.36Å; N329-F333 PolarHBondContact O-N 3.46Å |
| 330 | Y | 47.9 | Very low | 52 | Low | 83 Ų | 83 | 105.5 Ų | 105.5 | 33% | 0.325 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -71.6 | -31.2 | -172.1 | -153.6 | -92 | 0 | 0 | 0 | 112.6 | L83 S327 V328 Y334 | L83-Y330 HydrophobicContact CD2-CD1 3.29Å; L83-Y330 HydrophobicContact CD2-CE1 3.44Å; L83-Y330 VanDerWaalsContact CD2-CE1 3.44Å; L83-Y330 HydrophobicContact CG-CE1 4.43Å; S327-Y330 PolarHBondContact O-N 3.4Å; V328-Y330 PolarHBondContact O-N 3.17Å; Y330-Y334 HydrophobicContact CD1-CD2 4.18Å; Y330-Y334 HydrophobicContact CD1-CE2 4.1Å; Y330-Y334 AromaticContact CE1-CD2 3.95Å; Y330-Y334 HydrophobicContact CE1-CD2 3.95Å; Y330-Y334 AromaticContact CE1-CE2 3.41Å; Y330-Y334 HydrophobicContact CE1-CE2 3.41Å; Y330-Y334 VanDerWaalsContact CE1-CE2 3.41Å; Y330-Y334 AromaticContact CZ-CE2 3.82Å |
| 331 | K | 46 | Very low | 51.2 | Low | 183 Ų | 183 | 100.3 Ų | 100.3 | 80% | 0.796 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -72.4 | -41.1 | 179.3 | -148.8 | -179.1 | -173.7 | -173 | 0 | 112.3 | N329 F333 T335 | N329-K331 PolarHBondContact O-N 3.36Å; K331-F333 VanDerWaalsContact C-N 3.27Å; K331-F333 PolarHBondContact O-N 2.87Å; K331-T335 PolarHBondContact O-OG1 3.36Å |
| 332 | K | 47.5 | Very low | 50.6 | Low | 148 Ų | 148 | 96.2 Ų | 96.2 | 64% | 0.643 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -69 | -23.9 | -179.2 | -160.7 | 171.9 | -174.6 | 175.9 | 0 | 112.7 | T335 N336 | K332-T335 PolarHBondContact O-OG1 2.92Å; K332-T335 VanDerWaalsContact O-OG1 3.1Å; K332-N336 PolarHBondContact O-ND2 3.27Å; K332-N336 PolarHBondContact O-OD1 3.05Å |
| 333 | F | 47.6 | Very low | 50.2 | Low | 41 Ų | 41 | 96.8 Ų | 96.8 | 18% | 0.18 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -82.4 | -38.9 | -174.9 | -165 | -95 | 0 | 0 | 0 | 113.6 | S255 Q256 N329 K331 T335 N336 E337 | S255-F333 VanDerWaalsContact OG-CE2 3.28Å; S255-F333 WeakPolarHBondContact OG-CE2 3.36Å; Q256-F333 HydrophobicContact CG-CE1 4.43Å; Q256-F333 HydrophobicContact CG-CE2 4.21Å; Q256-F333 HydrophobicContact CG-CZ 3.55Å; N329-F333 PolarHBondContact O-N 3.46Å; K331-F333 VanDerWaalsContact C-N 3.27Å; K331-F333 PolarHBondContact O-N 2.87Å; F333-T335 VanDerWaalsContact C-N 3.31Å; F333-T335 PolarHBondContact O-N 3.41Å; F333-N336 PolarHBondContact O-N 3.32Å; F333-N336 VanDerWaalsContact O-N 3.16Å; F333-E337 HydrophobicContact CE1-CB 4.29Å; F333-E337 HydrophobicContact CE1-CG 4.45Å; F333-E337 PolarHBondContact O-N 3.44Å |
| 334 | Y | 50.1 | Low | 50.1 | Low | 35 Ų | 35 | 92.5 Ų | 92.5 | 14% | 0.137 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -68.1 | -28.9 | -178.6 | -98.7 | -69.2 | 0 | 0 | 0 | 113.9 | L83 K161 Y330 | L83-Y334 HydrophobicContact CD2-CD2 4.34Å; K161-Y334 VanDerWaalsContact NZ-CD1 3.3Å; Y330-Y334 HydrophobicContact CD1-CD2 4.18Å; Y330-Y334 HydrophobicContact CD1-CE2 4.1Å; Y330-Y334 AromaticContact CE1-CD2 3.95Å; Y330-Y334 HydrophobicContact CE1-CD2 3.95Å; Y330-Y334 AromaticContact CE1-CE2 3.41Å; Y330-Y334 HydrophobicContact CE1-CE2 3.41Å; Y330-Y334 VanDerWaalsContact CE1-CE2 3.41Å; Y330-Y334 AromaticContact CZ-CE2 3.82Å |
| 335 | T | 51.5 | Low | 49.8 | Very low | 88 Ų | 88 | 87.1 Ų | 87.1 | 54% | 0.54 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -68.5 | -45.8 | 169.5 | 28.1 | 0 | 0 | 0 | 0 | 110.6 | K331 K332 F333 E337 Q339 | K331-T335 PolarHBondContact O-OG1 3.36Å; K332-T335 PolarHBondContact O-OG1 2.92Å; K332-T335 VanDerWaalsContact O-OG1 3.1Å; F333-T335 VanDerWaalsContact C-N 3.31Å; F333-T335 PolarHBondContact O-N 3.41Å; T335-E337 PolarHBondContact O-N 2.93Å; T335-Q339 WeakPolarHBondContact O-CB 3.35Å; T335-Q339 PolarHBondContact O-N 2.85Å |
| 336 | N | 47.7 | Very low | 49.9 | Very low | 72 Ų | 72 | 87.6 Ų | 87.6 | 39% | 0.385 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67.3 | -37.1 | -177.4 | -68.2 | -3 | 0 | 0 | 0 | 113.7 | K332 F333 Q339 C340 | K332-N336 PolarHBondContact O-ND2 3.27Å; K332-N336 PolarHBondContact O-OD1 3.05Å; F333-N336 PolarHBondContact O-N 3.32Å; F333-N336 VanDerWaalsContact O-N 3.16Å; N336-Q339 WeakPolarHBondContact O-CB 3.49Å; N336-Q339 PolarHBondContact O-N 3.4Å; N336-C340 PolarHBondContact O-N 3.01Å |
| 337 | E | 49.3 | Very low | 50.2 | Low | 39 Ų | 39 | 90.3 Ų | 90.3 | 18% | 0.182 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -74.8 | -35.3 | -179.3 | -152.2 | 179.8 | -128.4 | 0 | 0 | 112.2 | R259 F333 T335 Q339 C340 N341 | R259-E337 IonicContact CZ-OE2 3.84Å; R259-E337 IonicContact NH1-OE1 3.49Å; R259-E337 PolarHBondContact NH1-OE1 3.18Å; R259-E337 IonicContact NH1-OE2 3.97Å; R259-E337 PolarHBondContact NH1-OE2 3.02Å; F333-E337 HydrophobicContact CE1-CB 4.29Å; F333-E337 HydrophobicContact CE1-CG 4.45Å; F333-E337 PolarHBondContact O-N 3.44Å; T335-E337 PolarHBondContact O-N 2.93Å; E337-Q339 VanDerWaalsContact C-N 3.25Å; E337-Q339 PolarHBondContact O-N 3.41Å; E337-C340 PolarHBondContact O-N 3.33Å; E337-N341 WeakPolarHBondContact O-CB 3.42Å; E337-N341 PolarHBondContact O-N 2.98Å |
| 338 | L | 51.5 | Low | 50.3 | Low | 100 Ų | 100 | 91.1 Ų | 91.1 | 52% | 0.524 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.3 | -36.6 | 168 | -86.6 | 165.3 | 0 | 0 | 0 | 111.1 | K161 S342 | K161-L338 HydrophobicContact CD-CD1 4.45Å; L338-S342 WeakPolarHBondContact O-CB 3.47Å; L338-S342 PolarHBondContact O-N 3.1Å; L338-S342 PolarHBondContact O-OG 2.88Å |
| 339 | Q | 49.2 | Very low | 50.2 | Low | 126 Ų | 126 | 88.5 Ų | 88.5 | 59% | 0.589 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -68.2 | -40.7 | 176.3 | -145.1 | 170.7 | 0.5 | 0 | 0 | 111.6 | T335 N336 E337 S342 S343 | T335-Q339 WeakPolarHBondContact O-CB 3.35Å; T335-Q339 PolarHBondContact O-N 2.85Å; N336-Q339 WeakPolarHBondContact O-CB 3.49Å; N336-Q339 PolarHBondContact O-N 3.4Å; E337-Q339 VanDerWaalsContact C-N 3.25Å; E337-Q339 PolarHBondContact O-N 3.41Å; Q339-S342 WeakPolarHBondContact CA-OG 3.46Å; Q339-S342 PolarHBondContact O-OG 3.45Å; Q339-S342 VanDerWaalsContact O-OG 3.09Å; Q339-S343 VanDerWaalsContact O-CB 3.27Å; Q339-S343 WeakPolarHBondContact O-CB 3.43Å; Q339-S343 PolarHBondContact O-N 3.45Å; Q339-S343 PolarHBondContact O-OG 3.09Å |
| 340 | C | 52.7 | Low | 50.2 | Low | 84 Ų | 84 | 90.2 Ų | 90.2 | 57% | 0.568 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -68.1 | -41.1 | 174.6 | -93.8 | 0 | 0 | 0 | 0 | 113.4 | N336 E337 S343 S344 | N336-C340 PolarHBondContact O-N 3.01Å; E337-C340 PolarHBondContact O-N 3.33Å; C340-S343 WeakPolarHBondContact CA-OG 3.35Å; C340-S343 PolarHBondContact O-OG 2.89Å; C340-S343 VanDerWaalsContact O-OG 3.12Å; C340-S344 PolarHBondContact O-N 3.29Å; C340-S344 PolarHBondContact O-OG 3.35Å |
| 341 | N | 50.9 | Low | 50.6 | Low | 70 Ų | 70 | 90.2 Ų | 90.2 | 37% | 0.374 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -76.5 | -33.2 | 179.6 | -75.2 | -4.7 | 0 | 0 | 0 | 112.6 | N158 E337 S344 S345 | N158-N341 PolarHBondContact OD1-ND2 3.49Å; E337-N341 WeakPolarHBondContact O-CB 3.42Å; E337-N341 PolarHBondContact O-N 2.98Å; N341-S344 WeakPolarHBondContact CA-OG 3.2Å; N341-S344 PolarHBondContact O-OG 3.41Å; N341-S345 WeakPolarHBondContact O-CB 3.37Å; N341-S345 PolarHBondContact O-N 2.97Å |
| 342 | S | 51.7 | Low | 50.8 | Low | 57 Ų | 57 | 84.4 Ų | 84.4 | 40% | 0.399 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -69.1 | -39.4 | 171.2 | 57.4 | 0 | 0 | 0 | 0 | 111.3 | L338 Q339 S345 L346 | L338-S342 WeakPolarHBondContact O-CB 3.47Å; L338-S342 PolarHBondContact O-N 3.1Å; L338-S342 PolarHBondContact O-OG 2.88Å; Q339-S342 WeakPolarHBondContact CA-OG 3.46Å; Q339-S342 PolarHBondContact O-OG 3.45Å; Q339-S342 VanDerWaalsContact O-OG 3.09Å; S342-S345 PolarHBondContact O-N 3.05Å; S342-L346 WeakPolarHBondContact O-CB 3.49Å; S342-L346 PolarHBondContact O-N 3.08Å |
| 343 | S | 50.9 | Low | 51.1 | Low | 58 Ų | 58 | 82.6 Ų | 82.6 | 41% | 0.406 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -71 | -31.5 | 177 | 50 | 0 | 0 | 0 | 0 | 113.4 | Q339 C340 K347 | Q339-S343 VanDerWaalsContact O-CB 3.27Å; Q339-S343 WeakPolarHBondContact O-CB 3.43Å; Q339-S343 PolarHBondContact O-N 3.45Å; Q339-S343 PolarHBondContact O-OG 3.09Å; C340-S343 WeakPolarHBondContact CA-OG 3.35Å; C340-S343 PolarHBondContact O-OG 2.89Å; C340-S343 VanDerWaalsContact O-OG 3.12Å; S343-K347 WeakPolarHBondContact O-CB 3.27Å; S343-K347 WeakPolarHBondContact O-CG 3.11Å; S343-K347 PolarHBondContact O-N 3.26Å |
| 344 | S | 52.5 | Low | 51.4 | Low | 56 Ų | 56 | 87.2 Ų | 87.2 | 39% | 0.392 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -69.9 | -39.7 | 169.7 | 63.7 | 0 | 0 | 0 | 0 | 112 | C340 N341 K347 N348 | C340-S344 PolarHBondContact O-N 3.29Å; C340-S344 PolarHBondContact O-OG 3.35Å; N341-S344 WeakPolarHBondContact CA-OG 3.2Å; N341-S344 PolarHBondContact O-OG 3.41Å; S344-K347 PolarHBondContact O-N 3.22Å; S344-N348 PolarHBondContact O-N 2.92Å |
| 345 | S | 50.9 | Low | 51.6 | Low | 70 Ų | 70 | 89.3 Ų | 89.3 | 49% | 0.49 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.1 | -45.3 | 173.5 | -168.1 | 0 | 0 | 0 | 0 | 112 | N341 S342 K347 N348 T349 | N341-S345 WeakPolarHBondContact O-CB 3.37Å; N341-S345 PolarHBondContact O-N 2.97Å; S342-S345 PolarHBondContact O-N 3.05Å; S345-K347 VanDerWaalsContact C-N 3.35Å; S345-K347 PolarHBondContact O-N 3.46Å; S345-N348 PolarHBondContact O-N 3.07Å; S345-T349 PolarHBondContact O-N 2.91Å; S345-T349 PolarHBondContact O-OG1 3.4Å |
| 346 | L | 50.5 | Low | 51.6 | Low | 107 Ų | 107 | 88.9 Ų | 88.9 | 56% | 0.56 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -66.3 | -35 | 177.4 | -107.4 | 124.7 | 0 | 0 | 0 | 112.4 | S342 N348 T349 K350 | S342-L346 WeakPolarHBondContact O-CB 3.49Å; S342-L346 PolarHBondContact O-N 3.08Å; L346-N348 VanDerWaalsContact C-N 3.35Å; L346-T349 PolarHBondContact O-N 3.01Å; L346-K350 WeakPolarHBondContact O-CB 3.35Å; L346-K350 PolarHBondContact O-N 2.87Å |
| 347 | K | 53.5 | Low | 51.8 | Low | 151 Ų | 151 | 88.1 Ų | 88.1 | 66% | 0.657 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.6 | -42.4 | 172.2 | -83.5 | -176.7 | 176.4 | -172.1 | 0 | 111.1 | S343 S344 S345 T349 K350 V351 | S343-K347 WeakPolarHBondContact O-CB 3.27Å; S343-K347 WeakPolarHBondContact O-CG 3.11Å; S343-K347 PolarHBondContact O-N 3.26Å; S344-K347 PolarHBondContact O-N 3.22Å; S345-K347 VanDerWaalsContact C-N 3.35Å; S345-K347 PolarHBondContact O-N 3.46Å; K347-T349 VanDerWaalsContact C-N 3.35Å; K347-T349 PolarHBondContact O-N 3.18Å; K347-K350 PolarHBondContact O-N 3.24Å; K347-V351 VanDerWaalsContact O-CG2 3.28Å; K347-V351 WeakPolarHBondContact O-CG2 3.25Å; K347-V351 PolarHBondContact O-N 2.83Å |
| 348 | N | 52.5 | Low | 52.1 | Low | 116 Ų | 116 | 91 Ų | 91 | 62% | 0.62 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66 | -37.1 | 176.3 | -69.8 | -9.8 | 0 | 0 | 0 | 112.1 | S344 S345 L346 V351 S352 | S344-N348 PolarHBondContact O-N 2.92Å; S345-N348 PolarHBondContact O-N 3.07Å; L346-N348 VanDerWaalsContact C-N 3.35Å; N348-V351 PolarHBondContact O-N 3.45Å; N348-S352 PolarHBondContact O-N 3.43Å; N348-S352 PolarHBondContact O-OG 3.3Å |
| 349 | T | 50.1 | Low | 52.1 | Low | 69 Ų | 69 | 93.7 Ų | 93.7 | 42% | 0.423 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -69.6 | -37.5 | 175 | -47.4 | 0 | 0 | 0 | 0 | 112.6 | S345 L346 K347 S352 I353 | S345-T349 PolarHBondContact O-N 2.91Å; S345-T349 PolarHBondContact O-OG1 3.4Å; L346-T349 PolarHBondContact O-N 3.01Å; K347-T349 VanDerWaalsContact C-N 3.35Å; K347-T349 PolarHBondContact O-N 3.18Å; T349-S352 WeakPolarHBondContact CA-OG 3.26Å; T349-S352 PolarHBondContact O-N 3.4Å; T349-S352 PolarHBondContact O-OG 2.76Å; T349-I353 HydrophobicContact CG2-CD1 4.15Å; T349-I353 VanDerWaalsContact O-CG1 3.27Å; T349-I353 WeakPolarHBondContact O-CG1 3.41Å; T349-I353 PolarHBondContact O-N 3.03Å |
| 350 | K | 50.7 | Low | 52.2 | Low | 142 Ų | 142 | 96.5 Ų | 96.5 | 62% | 0.617 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.8 | -41.3 | 173.1 | -80.1 | -171.4 | 174.8 | -171 | 0 | 111.5 | L346 K347 I353 Q354 | L346-K350 WeakPolarHBondContact O-CB 3.35Å; L346-K350 PolarHBondContact O-N 2.87Å; K347-K350 PolarHBondContact O-N 3.24Å; K350-I353 PolarHBondContact O-N 2.97Å; K350-Q354 WeakPolarHBondContact O-CB 3.48Å; K350-Q354 PolarHBondContact O-N 3Å |
| 351 | V | 55.9 | Low | 52.2 | Low | 82 Ų | 82 | 98.8 Ų | 98.8 | 50% | 0.497 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.3 | -40.5 | 175.8 | 173.4 | 0 | 0 | 0 | 0 | 111.1 | K347 N348 I353 Q354 V355 | K347-V351 VanDerWaalsContact O-CG2 3.28Å; K347-V351 WeakPolarHBondContact O-CG2 3.25Å; K347-V351 PolarHBondContact O-N 2.83Å; N348-V351 PolarHBondContact O-N 3.45Å; V351-I353 PolarHBondContact O-N 2.77Å; V351-Q354 PolarHBondContact O-N 3.46Å; V351-V355 HydrophobicContact CG1-CG2 4.24Å; V351-V355 WeakPolarHBondContact O-CB 3.33Å; V351-V355 VanDerWaalsContact O-CG2 3.26Å; V351-V355 WeakPolarHBondContact O-CG2 3.28Å; V351-V355 PolarHBondContact O-N 2.68Å |
| 352 | S | 49.1 | Very low | 52.2 | Low | 61 Ų | 61 | 102.3 Ų | 102.3 | 43% | 0.427 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -67.1 | -34.1 | 176.5 | 61 | 0 | 0 | 0 | 0 | 113.4 | N348 T349 S356 | N348-S352 PolarHBondContact O-N 3.43Å; N348-S352 PolarHBondContact O-OG 3.3Å; T349-S352 WeakPolarHBondContact CA-OG 3.26Å; T349-S352 PolarHBondContact O-N 3.4Å; T349-S352 PolarHBondContact O-OG 2.76Å; S352-S356 WeakPolarHBondContact O-CB 3.35Å; S352-S356 PolarHBondContact O-N 3.13Å; S352-S356 PolarHBondContact O-OG 3.44Å |
| 353 | I | 54.6 | Low | 51.9 | Low | 110 Ų | 110 | 105.6 Ų | 105.6 | 56% | 0.564 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -69.4 | -41.5 | 173.6 | -67.3 | 166 | 0 | 0 | 0 | 110.2 | T349 K350 V351 S356 A357 | T349-I353 HydrophobicContact CG2-CD1 4.15Å; T349-I353 VanDerWaalsContact O-CG1 3.27Å; T349-I353 WeakPolarHBondContact O-CG1 3.41Å; T349-I353 PolarHBondContact O-N 3.03Å; K350-I353 PolarHBondContact O-N 2.97Å; V351-I353 PolarHBondContact O-N 2.77Å; I353-S356 PolarHBondContact O-N 3.18Å; I353-A357 PolarHBondContact O-N 2.84Å |
| 354 | Q | 53.1 | Low | 51.8 | Low | 139 Ų | 139 | 112.7 Ų | 112.7 | 65% | 0.65 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -67.5 | -39.5 | 179 | -136.6 | -179.7 | -13.7 | 0 | 0 | 112 | K350 V351 A357 V358 | K350-Q354 WeakPolarHBondContact O-CB 3.48Å; K350-Q354 PolarHBondContact O-N 3Å; V351-Q354 PolarHBondContact O-N 3.46Å; Q354-A357 PolarHBondContact O-N 3.47Å; Q354-V358 WeakPolarHBondContact O-CG2 3.09Å; Q354-V358 PolarHBondContact O-N 3.35Å |
| 355 | V | 54.8 | Low | 51.8 | Low | 79 Ų | 79 | 115.5 Ų | 115.5 | 48% | 0.479 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -67.2 | -37.2 | 175.3 | 174 | 0 | 0 | 0 | 0 | 111.4 | V351 A357 V358 M359 | V351-V355 HydrophobicContact CG1-CG2 4.24Å; V351-V355 WeakPolarHBondContact O-CB 3.33Å; V351-V355 VanDerWaalsContact O-CG2 3.26Å; V351-V355 WeakPolarHBondContact O-CG2 3.28Å; V351-V355 PolarHBondContact O-N 2.68Å; V355-A357 VanDerWaalsContact C-N 3.31Å; V355-A357 PolarHBondContact O-N 3.2Å; V355-V358 PolarHBondContact O-N 3.18Å; V355-M359 PolarHBondContact O-N 3.22Å |
| 356 | S | 50.6 | Low | 51.8 | Low | 79 Ų | 79 | 117.9 Ų | 117.9 | 55% | 0.552 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -69.1 | -28.5 | 174.8 | -59.5 | 0 | 0 | 0 | 0 | 113 | S352 I353 | S352-S356 WeakPolarHBondContact O-CB 3.35Å; S352-S356 PolarHBondContact O-N 3.13Å; S352-S356 PolarHBondContact O-OG 3.44Å; I353-S356 PolarHBondContact O-N 3.18Å |
| 357 | A | 53.1 | Low | 51.9 | Low | 55 Ų | 55 | 118.5 Ų | 118.5 | 46% | 0.455 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -73.7 | -37.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | I353 Q354 V355 K360 | I353-A357 PolarHBondContact O-N 2.84Å; Q354-A357 PolarHBondContact O-N 3.47Å; V355-A357 VanDerWaalsContact C-N 3.31Å; V355-A357 PolarHBondContact O-N 3.2Å; A357-K360 PolarHBondContact O-N 2.94Å |
| 358 | V | 55.8 | Low | 51.8 | Low | 99 Ų | 99 | 116.6 Ų | 116.6 | 60% | 0.6 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -70.5 | -37.6 | 178 | 175.1 | 0 | 0 | 0 | 0 | 111.6 | Q354 V355 K360 I361 | Q354-V358 WeakPolarHBondContact O-CG2 3.09Å; Q354-V358 PolarHBondContact O-N 3.35Å; V355-V358 PolarHBondContact O-N 3.18Å; V358-K360 PolarHBondContact O-N 2.97Å; V358-I361 PolarHBondContact O-N 2.85Å |
| 359 | M | 51.5 | Low | 51.7 | Low | 157 Ų | 157 | 116.6 Ų | 116.6 | 77% | 0.773 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | -10.5 | 176 | -90 | -174.8 | 177.8 | 0 | 0 | 114.9 | V355 | V355-M359 PolarHBondContact O-N 3.22Š|
| 360 | K | 51.1 | Low | 51.8 | Low | 186 Ų | 186 | 119.8 Ų | 119.8 | 81% | 0.809 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | -0.6 | 176.4 | -93.7 | -171.8 | 175.9 | -173.1 | 0 | 114.4 | A357 V358 | A357-K360 PolarHBondContact O-N 2.94Å; V358-K360 PolarHBondContact O-N 2.97Å |
| 361 | I | 53 | Low | 51.9 | Low | 131 Ų | 131 | 118.2 Ų | 118.2 | 67% | 0.672 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -99.1 | -8.3 | -175.1 | -62.9 | 177.2 | 0 | 0 | 0 | 113.2 | V358 | V358-I361 PolarHBondContact O-N 2.85Š|
| 362 | D | 51.2 | Low | 51.6 | Low | 144 Ų | 144 | 121 Ų | 121 | 77% | 0.77 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -103.2 | 38.7 | -179.4 | -71.4 | -26.3 | 0 | 0 | 0 | 114.5 | ||
| 363 | V | 44.2 | Very low | 51.8 | Low | 127 Ų | 127 | 126 Ų | 126 | 77% | 0.77 | 70% | 0.696 | S | S | * | * | trans | -136.2 | 75.8 | 168.6 | -169.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 364 | T | 49.1 | Very low | 51.6 | Low | 206 Ų | 206 | 127.5 Ų | 127.5 | 100% | 1.264 | 71% | 0.708 | S | S | * | * | trans | 176 | 0 | 146.5 | 36.3 | 0 | 0 | 0 | 0 | 106.7 |
Retrieved 364 of 364 residues in 110.6 ms
(Link to these results)