| 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 | 51.5 | Low | 70.2 | Confident | 248 Ų | 248 | 122.5 Ų | 122.5 | 100% | 1.222 | 63% | 0.634 | S | S | * | * | 0 | 86.3 | 0 | -167.1 | -179.8 | -161 | 0 | 0 | 108.1 | |||||
| 2 | T | 62 | Low | 70.1 | Confident | 147 Ų | 147 | 119.8 Ų | 119.8 | 90% | 0.902 | 63% | 0.627 | S | S | * | * | trans | -84.8 | 112.1 | 179.2 | 34.3 | 0 | 0 | 0 | 0 | 109 | N4 | T2-N4 PolarHBondContact O-N 3.27Š| ||
| 3 | M | 67.5 | Low | 69.9 | Low | 113 Ų | 113 | 124 Ų | 124 | 56% | 0.557 | 64% | 0.637 | S | S | * | * | trans | -70.9 | 120.5 | 175.4 | -162.9 | 169.5 | 66 | 0 | 0 | 108.6 | S7 A8 | M3-S7 WeakPolarHBondContact CG-OG 3.39Å; M3-A8 HydrophobicContact CE-CB 3.69Å | ||
| 4 | N | 82.8 | Confident | 69.5 | Low | 113 Ų | 113 | 120.9 Ų | 120.9 | 60% | 0.604 | 63% | 0.627 | S | S | * | * | trans | -60 | 146.7 | 178.1 | -173.7 | -10.9 | 0 | 0 | 0 | 110.7 | T2 A6 S7 A8 | T2-N4 PolarHBondContact O-N 3.27Å; N4-A6 PolarHBondContact O-N 3.24Å; N4-A6 VanDerWaalsContact O-N 3.12Å; N4-S7 PolarHBondContact N-OG 2.85Å; N4-S7 PolarHBondContact O-N 3.18Å; N4-S7 PolarHBondContact O-OG 3.33Å; N4-A8 PolarHBondContact O-N 3.3Å | ||
| 5 | I | 78.8 | Confident | 69.3 | Low | 130 Ų | 130 | 116.7 Ų | 116.7 | 67% | 0.667 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -51.9 | -38.3 | 179.7 | -62.9 | 169.9 | 0 | 0 | 0 | 111.4 | A8 L9 | I5-A8 WeakPolarHBondContact O-CB 3.36Å; I5-A8 PolarHBondContact O-N 3.4Å; I5-L9 HydrophobicContact CG2-CD1 3.97Å; I5-L9 HydrophobicContact CG2-CG 4.3Å; I5-L9 WeakPolarHBondContact O-CB 3.47Å; I5-L9 VanDerWaalsContact O-CG 3.3Å; I5-L9 WeakPolarHBondContact O-CG 3.4Å; I5-L9 PolarHBondContact O-N 3.34Å |
| 6 | A | 74.8 | Confident | 70 | Confident | 64 Ų | 64 | 115.8 Ų | 115.8 | 53% | 0.529 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -65.7 | -39.5 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | N4 R10 | N4-A6 PolarHBondContact O-N 3.24Å; N4-A6 VanDerWaalsContact O-N 3.12Å; A6-R10 WeakPolarHBondContact O-CB 3.39Å; A6-R10 PolarHBondContact O-N 3.18Å |
| 7 | S | 74.9 | Confident | 70.8 | Confident | 51 Ų | 51 | 109.7 Ų | 109.7 | 36% | 0.357 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -73.4 | -33.4 | 174.1 | 51.4 | 0 | 0 | 0 | 0 | 111.4 | M3 N4 R10 Y11 | M3-S7 WeakPolarHBondContact CG-OG 3.39Å; N4-S7 PolarHBondContact N-OG 2.85Å; N4-S7 PolarHBondContact O-N 3.18Å; N4-S7 PolarHBondContact O-OG 3.33Å; S7-R10 PolarHBondContact O-N 3.04Å; S7-Y11 WeakPolarHBondContact O-CB 3.42Å; S7-Y11 PolarHBondContact O-N 3.1Å |
| 8 | A | 73.3 | Confident | 71.7 | Confident | 29 Ų | 29 | 106.6 Ų | 106.6 | 24% | 0.24 | 56% | 0.555 | C | S | . | * | H | α-helix | trans | -62.9 | -45 | 172 | 0 | 0 | 0 | 0 | 0 | 112.7 | M3 N4 I5 Y11 T12 | M3-A8 HydrophobicContact CE-CB 3.69Å; N4-A8 PolarHBondContact O-N 3.3Å; I5-A8 WeakPolarHBondContact O-CB 3.36Å; I5-A8 PolarHBondContact O-N 3.4Å; A8-Y11 PolarHBondContact O-N 3.15Å; A8-T12 WeakPolarHBondContact O-CB 3.45Å; A8-T12 PolarHBondContact O-N 2.86Å; A8-T12 PolarHBondContact O-OG1 2.92Å |
| 9 | L | 73 | Confident | 72.6 | Confident | 114 Ų | 114 | 111 Ų | 111 | 60% | 0.597 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -66.1 | -42.6 | 175.7 | -72.5 | 171.4 | 0 | 0 | 0 | 111.5 | I5 Y11 T12 K13 | I5-L9 HydrophobicContact CG2-CD1 3.97Å; I5-L9 HydrophobicContact CG2-CG 4.3Å; I5-L9 WeakPolarHBondContact O-CB 3.47Å; I5-L9 VanDerWaalsContact O-CG 3.3Å; I5-L9 WeakPolarHBondContact O-CG 3.4Å; I5-L9 PolarHBondContact O-N 3.34Å; L9-Y11 VanDerWaalsContact C-N 3.35Å; L9-T12 PolarHBondContact O-N 2.94Å; L9-K13 WeakPolarHBondContact O-CB 3.36Å; L9-K13 PolarHBondContact O-N 2.73Å |
| 10 | R | 69.9 | Low | 73.5 | Confident | 195 Ų | 195 | 107.6 Ų | 107.6 | 74% | 0.736 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -61 | -45.1 | 174.3 | -171.7 | -175.5 | -70 | -153.5 | -0.3 | 110.8 | A6 S7 K13 V14 | A6-R10 WeakPolarHBondContact O-CB 3.39Å; A6-R10 PolarHBondContact O-N 3.18Å; S7-R10 PolarHBondContact O-N 3.04Å; R10-K13 PolarHBondContact O-N 3.05Å; R10-V14 WeakPolarHBondContact O-CB 3.35Å; R10-V14 WeakPolarHBondContact O-CG2 3.49Å; R10-V14 PolarHBondContact O-N 3.14Å |
| 11 | Y | 63.6 | Low | 74.4 | Confident | 143 Ų | 143 | 102.9 Ų | 102.9 | 56% | 0.561 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.8 | -44.8 | 177.8 | -170.2 | -91.7 | 0 | 0 | 0 | 111.7 | S7 A8 L9 K13 V14 C15 | S7-Y11 WeakPolarHBondContact O-CB 3.42Å; S7-Y11 PolarHBondContact O-N 3.1Å; A8-Y11 PolarHBondContact O-N 3.15Å; L9-Y11 VanDerWaalsContact C-N 3.35Å; Y11-K13 VanDerWaalsContact C-N 3.32Å; Y11-K13 PolarHBondContact O-N 2.89Å; Y11-V14 CarbonylContact O-C 3.56Å; Y11-V14 PolarHBondContact O-N 2.95Å; Y11-V14 VanDerWaalsContact O-N 3.13Å; Y11-C15 HydrophobicContact CE1-CB 4.48Å; Y11-C15 VanDerWaalsContact CE1-SG 3.53Å; Y11-C15 WeakPolarHBondContact O-CB 3.42Å; Y11-C15 PolarHBondContact O-N 3.39Å |
| 12 | T | 68.6 | Low | 76.4 | Confident | 90 Ų | 90 | 95.9 Ų | 95.9 | 55% | 0.552 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -60.3 | -42.7 | 176.8 | -56.1 | 0 | 0 | 0 | 0 | 111.1 | A8 L9 C15 N16 | A8-T12 WeakPolarHBondContact O-CB 3.45Å; A8-T12 PolarHBondContact O-N 2.86Å; A8-T12 PolarHBondContact O-OG1 2.92Å; L9-T12 PolarHBondContact O-N 2.94Å; T12-C15 PolarHBondContact O-N 2.81Å; T12-N16 WeakPolarHBondContact O-CB 3.43Å; T12-N16 PolarHBondContact O-N 3.08Å |
| 13 | K | 67.6 | Low | 77.9 | Confident | 175 Ų | 175 | 94.7 Ų | 94.7 | 76% | 0.761 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -65.7 | -39.4 | 175.4 | -168.2 | 174.7 | -176.7 | 176.4 | 0 | 112 | L9 R10 Y11 | L9-K13 WeakPolarHBondContact O-CB 3.36Å; L9-K13 PolarHBondContact O-N 2.73Å; R10-K13 PolarHBondContact O-N 3.05Å; Y11-K13 VanDerWaalsContact C-N 3.32Å; Y11-K13 PolarHBondContact O-N 2.89Å |
| 14 | V | 65 | Low | 79.2 | Confident | 81 Ų | 81 | 91.2 Ų | 91.2 | 49% | 0.491 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -68.5 | -37 | 176.6 | 171.8 | 0 | 0 | 0 | 0 | 111.4 | R10 Y11 K86 | R10-V14 WeakPolarHBondContact O-CB 3.35Å; R10-V14 WeakPolarHBondContact O-CG2 3.49Å; R10-V14 PolarHBondContact O-N 3.14Å; Y11-V14 CarbonylContact O-C 3.56Å; Y11-V14 PolarHBondContact O-N 2.95Å; Y11-V14 VanDerWaalsContact O-N 3.13Å; V14-K86 WeakPolarHBondContact O-CD 3.38Å; V14-K86 WeakPolarHBondContact O-CE 3.19Å; V14-K86 PolarHBondContact O-NZ 2.85Å |
| 15 | C | 66 | Low | 79.8 | Confident | 57 Ų | 57 | 87.2 Ų | 87.2 | 39% | 0.385 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -85 | -16.9 | 179.4 | -78.4 | 0 | 0 | 0 | 0 | 114 | Y11 T12 C17 | Y11-C15 HydrophobicContact CE1-CB 4.48Å; Y11-C15 VanDerWaalsContact CE1-SG 3.53Å; Y11-C15 WeakPolarHBondContact O-CB 3.42Å; Y11-C15 PolarHBondContact O-N 3.39Å; T12-C15 PolarHBondContact O-N 2.81Å; C15-C17 PolarHBondContact O-N 3.11Å |
| 16 | N | 80.1 | Confident | 80.7 | Confident | 102 Ų | 102 | 84.6 Ų | 84.6 | 55% | 0.545 | 42% | 0.423 | S | S | . | . | trans | -70.2 | 107.1 | 177.6 | -162 | 22 | 0 | 0 | 0 | 109.8 | T12 K22 K86 | T12-N16 WeakPolarHBondContact O-CB 3.43Å; T12-N16 PolarHBondContact O-N 3.08Å; N16-K22 PolarHBondContact OD1-NZ 2.8Å; N16-K86 PolarHBondContact O-NZ 3.44Å | ||
| 17 | C | 83.6 | Confident | 81.7 | Confident | 13 Ų | 13 | 83.7 Ų | 83.7 | 9% | 0.088 | 41% | 0.409 | C | S | . | . | trans | -88.1 | 153.6 | 171.9 | -62.7 | 0 | 0 | 0 | 0 | 110 | C15 T21 K22 F82 D85 | C15-C17 PolarHBondContact O-N 3.11Å; C17-T21 HydrophobicContact CB-CG2 4.05Å; C17-K22 HydrophobicContact CB-CG 4.33Å; C17-K22 VanDerWaalsContact O-CE 3.29Å; C17-K22 WeakPolarHBondContact O-CE 3.42Å; C17-F82 VanDerWaalsContact SG-CD2 3.57Å; C17-D85 WeakPolarHBondContact CA-OD2 3.26Å | ||
| 18 | R | 87 | Confident | 82.7 | Confident | 54 Ų | 54 | 81.3 Ų | 81.3 | 20% | 0.204 | 39% | 0.392 | C | S | . | . | trans | -58.7 | 151.6 | 171.9 | -66.7 | -179 | -66.3 | -171.5 | -2.8 | 111 | Q20 T21 K22 D85 | R18-Q20 PolarHBondContact O-N 3.47Å; R18-T21 WeakPolarHBondContact O-CB 3.12Å; R18-T21 PolarHBondContact O-N 3.23Å; R18-T21 VanDerWaalsContact O-N 3.08Å; R18-K22 PolarHBondContact O-N 3.06Å; R18-K22 VanDerWaalsContact O-N 3.13Å; R18-D85 IonicContact CZ-OD1 3.23Å; R18-D85 VanDerWaalsContact CZ-OD1 3.23Å; R18-D85 PolarHBondContact N-OD2 2.9Å; R18-D85 IonicContact NE-OD1 2.72Å; R18-D85 PolarHBondContact NE-OD1 3.41Å; R18-D85 IonicContact NH2-OD1 2.85Å; R18-D85 PolarHBondContact NH2-OD1 3.26Å | ||
| 19 | W | 89.8 | Confident | 83.9 | Confident | 190 Ų | 190 | 82.7 Ų | 82.7 | 72% | 0.72 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -61.6 | -33.7 | -179.2 | 72.3 | -81.2 | 0 | 0 | 0 | 112.3 | T21 K22 F23 | W19-T21 VanDerWaalsContact C-N 3.32Å; W19-T21 PolarHBondContact O-N 3.1Å; W19-K22 PolarHBondContact O-N 3.02Å; W19-F23 WeakPolarHBondContact O-CB 3.29Å; W19-F23 PolarHBondContact O-N 2.63Å |
| 20 | Q | 90.9 | Very high | 85 | Confident | 43 Ų | 43 | 82.3 Ų | 82.3 | 20% | 0.201 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -62.6 | -39.4 | 174.4 | -56.3 | 93.7 | -26.7 | 0 | 0 | 112 | R18 F23 V24 | R18-Q20 PolarHBondContact O-N 3.47Å; Q20-F23 WeakPolarHBondContact O-CB 3.46Å; Q20-F23 PolarHBondContact O-N 3.38Å; Q20-V24 WeakPolarHBondContact O-CG2 3.47Å; Q20-V24 PolarHBondContact O-N 3.13Å |
| 21 | T | 91.8 | Very high | 86.3 | Confident | 8 Ų | 8 | 73.7 Ų | 73.7 | 5% | 0.049 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -65.1 | -45.1 | 178 | -54.8 | 0 | 0 | 0 | 0 | 110.5 | C17 R18 W19 F23 V24 M25 V81 D85 | C17-T21 HydrophobicContact CB-CG2 4.05Å; R18-T21 WeakPolarHBondContact O-CB 3.12Å; R18-T21 PolarHBondContact O-N 3.23Å; R18-T21 VanDerWaalsContact O-N 3.08Å; W19-T21 VanDerWaalsContact C-N 3.32Å; W19-T21 PolarHBondContact O-N 3.1Å; T21-F23 VanDerWaalsContact C-N 3.32Å; T21-F23 PolarHBondContact O-N 3.05Å; T21-V24 PolarHBondContact O-N 2.81Å; T21-M25 HydrophobicContact CG2-CE 3.89Å; T21-M25 HydrophobicContact CG2-SD 4.43Å; T21-M25 VanDerWaalsContact O-CG 3.31Å; T21-M25 WeakPolarHBondContact O-CG 3.01Å; T21-M25 PolarHBondContact O-N 3.19Å; T21-V81 HydrophobicContact CG2-CG1 3.54Å; T21-D85 HydrophobicContact CG2-CB 3.67Å; T21-D85 VanDerWaalsContact OG1-CG 3.27Å; T21-D85 PolarHBondContact OG1-OD1 2.95Å |
| 22 | K | 93.1 | Very high | 87.8 | Confident | 101 Ų | 101 | 69 Ų | 69 | 44% | 0.439 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -60.3 | -42.9 | 174 | -64.4 | 177.2 | -175.1 | 171.3 | 0 | 111.2 | N16 C17 R18 W19 M25 C26 | N16-K22 PolarHBondContact OD1-NZ 2.8Å; C17-K22 HydrophobicContact CB-CG 4.33Å; C17-K22 VanDerWaalsContact O-CE 3.29Å; C17-K22 WeakPolarHBondContact O-CE 3.42Å; R18-K22 PolarHBondContact O-N 3.06Å; R18-K22 VanDerWaalsContact O-N 3.13Å; W19-K22 PolarHBondContact O-N 3.02Å; K22-M25 PolarHBondContact O-N 3.48Å; K22-C26 PolarHBondContact O-N 3.12Å; K22-C26 PolarHBondContact O-SG 3.03Å |
| 23 | F | 94.5 | Very high | 89.2 | Confident | 123 Ų | 123 | 68.3 Ų | 68.3 | 54% | 0.539 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -59.4 | -47 | 176.7 | 175.6 | -104.5 | 0 | 0 | 0 | 112.4 | W19 Q20 T21 M25 C26 I27 | W19-F23 WeakPolarHBondContact O-CB 3.29Å; W19-F23 PolarHBondContact O-N 2.63Å; Q20-F23 WeakPolarHBondContact O-CB 3.46Å; Q20-F23 PolarHBondContact O-N 3.38Å; T21-F23 VanDerWaalsContact C-N 3.32Å; T21-F23 PolarHBondContact O-N 3.05Å; F23-M25 PolarHBondContact O-N 3.17Å; F23-C26 PolarHBondContact O-N 3.31Å; F23-I27 HydrophobicContact CD1-CD1 3.83Å; F23-I27 HydrophobicContact CD2-CD1 4.4Å; F23-I27 HydrophobicContact CE1-CD1 3.29Å; F23-I27 HydrophobicContact CE1-CG1 4.48Å; F23-I27 HydrophobicContact CE2-CD1 3.94Å; F23-I27 HydrophobicContact CE2-CG1 4.47Å; F23-I27 HydrophobicContact CG-CD1 4.37Å; F23-I27 HydrophobicContact CZ-CD1 3.37Å; F23-I27 HydrophobicContact CZ-CG1 4.35Å; F23-I27 WeakPolarHBondContact O-CG1 3.2Å; F23-I27 PolarHBondContact O-N 3.38Å |
| 24 | V | 94.6 | Very high | 90.5 | Very high | 39 Ų | 39 | 62.9 Ų | 62.9 | 24% | 0.236 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62 | -43.8 | 176.3 | 174.2 | 0 | 0 | 0 | 0 | 111.2 | Q20 T21 C26 I27 Q28 V81 | Q20-V24 WeakPolarHBondContact O-CG2 3.47Å; Q20-V24 PolarHBondContact O-N 3.13Å; T21-V24 PolarHBondContact O-N 2.81Å; V24-C26 VanDerWaalsContact C-N 3.35Å; V24-C26 PolarHBondContact O-N 2.64Å; V24-I27 PolarHBondContact O-N 3.16Å; V24-Q28 VanDerWaalsContact O-CG 3.31Å; V24-Q28 WeakPolarHBondContact O-CG 3.38Å; V24-Q28 PolarHBondContact O-N 2.85Å; V24-V81 HydrophobicContact CB-CG1 4.35Å; V24-V81 HydrophobicContact CG1-CG1 4.21Å; V24-V81 HydrophobicContact CG1-CG2 3.99Å |
| 25 | M | 95.8 | Very high | 91.9 | Very high | 30 Ų | 30 | 59.9 Ų | 59.9 | 15% | 0.148 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.8 | -43.1 | 176 | -70.7 | 171.9 | 172.6 | 0 | 0 | 112.2 | T21 K22 F23 Q28 C29 I78 V81 F82 | T21-M25 HydrophobicContact CG2-CE 3.89Å; T21-M25 HydrophobicContact CG2-SD 4.43Å; T21-M25 VanDerWaalsContact O-CG 3.31Å; T21-M25 WeakPolarHBondContact O-CG 3.01Å; T21-M25 PolarHBondContact O-N 3.19Å; K22-M25 PolarHBondContact O-N 3.48Å; F23-M25 PolarHBondContact O-N 3.17Å; M25-Q28 PolarHBondContact O-N 2.82Å; M25-C29 PolarHBondContact O-N 3.36Å; M25-C29 VanDerWaalsContact O-N 3.13Å; M25-C29 PolarHBondContact O-SG 3.21Å; M25-C29 VanDerWaalsContact O-SG 3.39Å; M25-I78 HydrophobicContact CB-CD1 3.69Å; M25-I78 HydrophobicContact CE-CG2 4.21Å; M25-I78 HydrophobicContact CG-CD1 3.77Å; M25-I78 HydrophobicContact CG-CG2 4.4Å; M25-I78 HydrophobicContact SD-CG2 4.37Å; M25-V81 HydrophobicContact CE-CB 4.28Å; M25-V81 HydrophobicContact CE-CG1 4.1Å; M25-V81 HydrophobicContact CG-CB 4.45Å; M25-V81 HydrophobicContact CG-CG1 4.05Å; M25-F82 HydrophobicContact CE-CB 3.64Å; M25-F82 HydrophobicContact CE-CD2 4.47Å |
| 26 | C | 96.7 | Very high | 93.3 | Very high | 75 Ų | 75 | 63.2 Ų | 63.2 | 51% | 0.507 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.5 | -43.2 | 176.2 | -70.3 | 0 | 0 | 0 | 0 | 112 | K22 F23 V24 Q28 C29 I30 | K22-C26 PolarHBondContact O-N 3.12Å; K22-C26 PolarHBondContact O-SG 3.03Å; F23-C26 PolarHBondContact O-N 3.31Å; V24-C26 VanDerWaalsContact C-N 3.35Å; V24-C26 PolarHBondContact O-N 2.64Å; C26-Q28 VanDerWaalsContact C-N 3.34Å; C26-Q28 PolarHBondContact O-N 3.1Å; C26-C29 PolarHBondContact O-N 3.26Å; C26-I30 WeakPolarHBondContact O-CG1 3.33Å; C26-I30 PolarHBondContact O-N 2.96Å |
| 27 | I | 96.5 | Very high | 94 | Very high | 45 Ų | 45 | 62.1 Ų | 62.1 | 23% | 0.231 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.1 | -44.9 | 176.1 | -72.5 | 172.2 | 0 | 0 | 0 | 110.9 | F23 V24 C29 I30 C31 F66 | F23-I27 HydrophobicContact CD1-CD1 3.83Å; F23-I27 HydrophobicContact CD2-CD1 4.4Å; F23-I27 HydrophobicContact CE1-CD1 3.29Å; F23-I27 HydrophobicContact CE1-CG1 4.48Å; F23-I27 HydrophobicContact CE2-CD1 3.94Å; F23-I27 HydrophobicContact CE2-CG1 4.47Å; F23-I27 HydrophobicContact CG-CD1 4.37Å; F23-I27 HydrophobicContact CZ-CD1 3.37Å; F23-I27 HydrophobicContact CZ-CG1 4.35Å; F23-I27 WeakPolarHBondContact O-CG1 3.2Å; F23-I27 PolarHBondContact O-N 3.38Å; V24-I27 PolarHBondContact O-N 3.16Å; I27-C29 VanDerWaalsContact C-N 3.3Å; I27-C29 PolarHBondContact O-N 2.97Å; I27-I30 PolarHBondContact O-N 2.91Å; I27-I30 VanDerWaalsContact O-N 3.15Å; I27-C31 WeakPolarHBondContact O-CB 3.16Å; I27-C31 PolarHBondContact O-N 3.43Å; I27-C31 PolarHBondContact O-SG 3.01Å; I27-F66 HydrophobicContact CG2-CB 4.06Å; I27-F66 HydrophobicContact CG2-CD1 3.84Å; I27-F66 HydrophobicContact CG2-CG 4.2Å |
| 28 | Q | 96.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -57.4 | -43.8 | 177.3 | -69.1 | -73.8 | -7.1 | 0 | 0 | 111.7 | V24 M25 C26 C31 Y32 S65 F66 L74 I78 | V24-Q28 VanDerWaalsContact O-CG 3.31Å; V24-Q28 WeakPolarHBondContact O-CG 3.38Å; V24-Q28 PolarHBondContact O-N 2.85Å; M25-Q28 PolarHBondContact O-N 2.82Å; C26-Q28 VanDerWaalsContact C-N 3.34Å; C26-Q28 PolarHBondContact O-N 3.1Å; Q28-C31 PolarHBondContact O-N 3.08Å; Q28-Y32 WeakPolarHBondContact O-CB 3.3Å; Q28-Y32 PolarHBondContact O-N 3.42Å; Q28-S65 PolarHBondContact NE2-O 3.37Å; Q28-F66 PolarHBondContact OE1-O 3.13Å; Q28-L74 HydrophobicContact CB-CD1 3.87Å; Q28-I78 HydrophobicContact CB-CD1 4.21Å |
| 29 | C | 97 | Very high | 94.7 | Very high | 58 Ų | 58 | 69.9 Ų | 69.9 | 39% | 0.392 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.2 | -40.8 | 176.4 | -66.3 | 0 | 0 | 0 | 0 | 112.5 | M25 C26 I27 Y32 S33 | M25-C29 PolarHBondContact O-N 3.36Å; M25-C29 VanDerWaalsContact O-N 3.13Å; M25-C29 PolarHBondContact O-SG 3.21Å; M25-C29 VanDerWaalsContact O-SG 3.39Å; C26-C29 PolarHBondContact O-N 3.26Å; I27-C29 VanDerWaalsContact C-N 3.3Å; I27-C29 PolarHBondContact O-N 2.97Å; C29-Y32 PolarHBondContact O-N 2.97Å; C29-S33 PolarHBondContact O-N 3.37Å; C29-S33 PolarHBondContact O-OG 3.06Å |
| 30 | I | 96.8 | Very high | 94.9 | Very high | 107 Ų | 107 | 63.2 Ų | 63.2 | 55% | 0.549 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64 | -46.7 | 176.8 | -67.6 | 165.9 | 0 | 0 | 0 | 110.4 | C26 I27 Y32 S33 L34 | C26-I30 WeakPolarHBondContact O-CG1 3.33Å; C26-I30 PolarHBondContact O-N 2.96Å; I27-I30 PolarHBondContact O-N 2.91Å; I27-I30 VanDerWaalsContact O-N 3.15Å; I30-Y32 VanDerWaalsContact C-N 3.31Å; I30-Y32 PolarHBondContact O-N 2.99Å; I30-S33 WeakPolarHBondContact O-CB 3.04Å; I30-S33 PolarHBondContact O-N 2.6Å; I30-S33 VanDerWaalsContact O-N 3.13Å; I30-L34 PolarHBondContact O-N 3.47Å |
| 31 | C | 96.2 | Very high | 95 | Very high | 14 Ų | 14 | 64 Ų | 64 | 10% | 0.095 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.6 | -34.8 | 177.8 | -72.1 | 0 | 0 | 0 | 0 | 112.5 | I27 Q28 L34 S35 F66 Y67 | I27-C31 WeakPolarHBondContact O-CB 3.16Å; I27-C31 PolarHBondContact O-N 3.43Å; I27-C31 PolarHBondContact O-SG 3.01Å; Q28-C31 PolarHBondContact O-N 3.08Å; C31-L34 WeakPolarHBondContact O-CB 3.31Å; C31-L34 PolarHBondContact O-N 3.47Å; C31-S35 PolarHBondContact O-N 2.88Å; C31-S35 VanDerWaalsContact O-N 3.13Å; C31-F66 WeakPolarHBondContact CB-O 3.14Å; C31-Y67 HydrophobicContact CB-CD2 4.18Å; C31-Y67 WeakPolarHBondContact O-CE2 3.44Å |
| 32 | Y | 96.9 | Very high | 95.1 | Very high | 43 Ų | 43 | 64.4 Ų | 64.4 | 17% | 0.169 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.6 | -41.8 | 170.3 | 175.2 | -102.2 | 0 | 0 | 0 | 112 | Q28 C29 I30 L34 S35 H36 N68 L71 L74 | Q28-Y32 WeakPolarHBondContact O-CB 3.3Å; Q28-Y32 PolarHBondContact O-N 3.42Å; C29-Y32 PolarHBondContact O-N 2.97Å; I30-Y32 VanDerWaalsContact C-N 3.31Å; I30-Y32 PolarHBondContact O-N 2.99Å; Y32-L34 VanDerWaalsContact C-N 3.29Å; Y32-L34 PolarHBondContact O-N 3.43Å; Y32-S35 VanDerWaalsContact O-CB 3.28Å; Y32-S35 WeakPolarHBondContact O-CB 3.14Å; Y32-S35 PolarHBondContact O-N 3.13Å; Y32-S35 PolarHBondContact O-OG 3.3Å; Y32-H36 AromaticContact CE1-CE1 3.52Å; Y32-H36 AromaticContact CZ-CE1 3.66Å; Y32-H36 PolarHBondContact O-ND1 3.13Å; Y32-H36 VanDerWaalsContact O-ND1 3.13Å; Y32-N68 WeakPolarHBondContact CD2-O 3.47Å; Y32-L71 HydrophobicContact CE1-CD1 4.22Å; Y32-L71 HydrophobicContact CE2-CB 4.42Å; Y32-L74 HydrophobicContact CD1-CD2 3.75Å; Y32-L74 HydrophobicContact CD2-CB 4.3Å; Y32-L74 HydrophobicContact CD2-CD2 4.07Å; Y32-L74 HydrophobicContact CE1-CD2 4.33Å; Y32-L74 HydrophobicContact CG-CD2 3.6Å |
| 33 | S | 96.3 | Very high | 95.1 | Very high | 77 Ų | 77 | 65 Ų | 65 | 54% | 0.538 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -59.4 | -41.4 | 173.7 | -61.1 | 0 | 0 | 0 | 0 | 111.6 | C29 I30 S35 H36 | C29-S33 PolarHBondContact O-N 3.37Å; C29-S33 PolarHBondContact O-OG 3.06Å; I30-S33 WeakPolarHBondContact O-CB 3.04Å; I30-S33 PolarHBondContact O-N 2.6Å; I30-S33 VanDerWaalsContact O-N 3.13Å; S33-S35 PolarHBondContact O-N 3.26Å; S33-H36 PolarHBondContact O-N 3.02Å; S33-H36 PolarHBondContact O-ND1 2.99Å |
| 34 | L | 95.1 | Very high | 95.2 | Very high | 60 Ų | 60 | 61.4 Ų | 61.4 | 31% | 0.314 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.7 | -27.4 | 174.4 | -65.6 | 174.9 | 0 | 0 | 0 | 113 | I30 C31 Y32 H36 I37 M40 F44 | I30-L34 PolarHBondContact O-N 3.47Å; C31-L34 WeakPolarHBondContact O-CB 3.31Å; C31-L34 PolarHBondContact O-N 3.47Å; Y32-L34 VanDerWaalsContact C-N 3.29Å; Y32-L34 PolarHBondContact O-N 3.43Å; L34-H36 PolarHBondContact O-N 3.38Å; L34-H36 VanDerWaalsContact O-N 3.14Å; L34-I37 HydrophobicContact CD2-CD1 4.03Å; L34-I37 WeakPolarHBondContact O-CB 3.33Å; L34-I37 PolarHBondContact O-N 3.43Å; L34-M40 WeakPolarHBondContact O-CG 3.48Å; L34-F44 HydrophobicContact CD1-CZ 4.26Å |
| 35 | S | 95.2 | Very high | 95.3 | Very high | 19 Ų | 19 | 59.5 Ų | 59.5 | 13% | 0.133 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -18.1 | -179.4 | 79.5 | 0 | 0 | 0 | 0 | 114.8 | C31 Y32 S33 I37 Y67 | C31-S35 PolarHBondContact O-N 2.88Å; C31-S35 VanDerWaalsContact O-N 3.13Å; Y32-S35 VanDerWaalsContact O-CB 3.28Å; Y32-S35 WeakPolarHBondContact O-CB 3.14Å; Y32-S35 PolarHBondContact O-N 3.13Å; Y32-S35 PolarHBondContact O-OG 3.3Å; S33-S35 PolarHBondContact O-N 3.26Å; S35-I37 VanDerWaalsContact C-N 3.25Å; S35-I37 PolarHBondContact O-N 3.01Å; S35-Y67 WeakPolarHBondContact CA-OH 3.3Å; S35-Y67 VanDerWaalsContact CB-CZ 3.46Å; S35-Y67 WeakPolarHBondContact CB-OH 3.29Å |
| 36 | H | 95 | Very high | 95.3 | Very high | 127 Ų | 127 | 58.1 Ų | 58.1 | 59% | 0.588 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -15.3 | 175.5 | -61.2 | 78.5 | 0 | 0 | 0 | 112.5 | Y32 S33 L34 | Y32-H36 AromaticContact CE1-CE1 3.52Å; Y32-H36 AromaticContact CZ-CE1 3.66Å; Y32-H36 PolarHBondContact O-ND1 3.13Å; Y32-H36 VanDerWaalsContact O-ND1 3.13Å; S33-H36 PolarHBondContact O-N 3.02Å; S33-H36 PolarHBondContact O-ND1 2.99Å; L34-H36 PolarHBondContact O-N 3.38Å; L34-H36 VanDerWaalsContact O-N 3.14Å |
| 37 | I | 95.1 | Very high | 95.2 | Very high | 79 Ų | 79 | 55.1 Ų | 55.1 | 41% | 0.405 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -77.4 | 132.9 | 174.6 | -56.4 | 170.7 | 0 | 0 | 0 | 108.4 | L34 S35 M40 | L34-I37 HydrophobicContact CD2-CD1 4.03Å; L34-I37 WeakPolarHBondContact O-CB 3.33Å; L34-I37 PolarHBondContact O-N 3.43Å; S35-I37 VanDerWaalsContact C-N 3.25Å; S35-I37 PolarHBondContact O-N 3.01Å; I37-M40 HydrophobicContact CB-CE 4Å; I37-M40 HydrophobicContact CB-CG 3.66Å; I37-M40 HydrophobicContact CD1-CE 4.21Å; I37-M40 HydrophobicContact CG2-CE 3.52Å; I37-M40 HydrophobicContact CG2-CG 4.03Å; I37-M40 WeakPolarHBondContact O-CB 3.14Å; I37-M40 WeakPolarHBondContact O-CG 3.28Å; I37-M40 PolarHBondContact O-N 3.13Å |
| 38 | P | 93.3 | Very high | 95.1 | Very high | 103 Ų | 103 | 53.1 Ų | 53.1 | 67% | 0.669 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | 145.6 | -179.5 | -24.1 | 31.7 | 0 | 0 | 0 | 112.7 | M40 | P38-M40 PolarHBondContact O-N 3.14Š|
| 39 | N | 91.1 | Very high | 94.9 | Very high | 127 Ų | 127 | 53.6 Ų | 53.6 | 68% | 0.679 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.8 | 0.6 | 175.7 | -56.2 | -42.6 | 0 | 0 | 0 | 116.7 | N41 S42 Y43 | N39-N41 VanDerWaalsContact C-N 3.25Å; N39-N41 PolarHBondContact O-N 3.24Å; N39-S42 PolarHBondContact O-N 2.9Å; N39-S42 VanDerWaalsContact O-N 3.11Å; N39-S42 PolarHBondContact O-OG 3.46Å; N39-Y43 WeakPolarHBondContact O-CD2 3.48Å |
| 40 | M | 94.3 | Very high | 94.8 | Very high | 49 Ų | 49 | 53.4 Ų | 53.4 | 24% | 0.241 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -32.2 | 179.9 | -74.1 | -59.2 | 165.6 | 0 | 0 | 113.5 | L34 I37 P38 S42 Y43 F44 Y67 | L34-M40 WeakPolarHBondContact O-CG 3.48Å; I37-M40 HydrophobicContact CB-CE 4Å; I37-M40 HydrophobicContact CB-CG 3.66Å; I37-M40 HydrophobicContact CD1-CE 4.21Å; I37-M40 HydrophobicContact CG2-CE 3.52Å; I37-M40 HydrophobicContact CG2-CG 4.03Å; I37-M40 WeakPolarHBondContact O-CB 3.14Å; I37-M40 WeakPolarHBondContact O-CG 3.28Å; I37-M40 PolarHBondContact O-N 3.13Å; P38-M40 PolarHBondContact O-N 3.14Å; M40-S42 PolarHBondContact O-N 3.24Å; M40-S42 VanDerWaalsContact O-N 3.08Å; M40-Y43 PolarHBondContact O-N 3.27Å; M40-F44 HydrophobicContact CB-CD2 4.35Å; M40-F44 WeakPolarHBondContact O-CD2 3.19Å; M40-F44 PolarHBondContact O-N 3.2Å; M40-F44 VanDerWaalsContact O-N 3.14Å; M40-F44 HydrophobicContact SD-CD2 4.39Å; M40-F44 HydrophobicContact SD-CE2 3.9Å; M40-Y67 HydrophobicContact CB-CE2 4.47Å |
| 41 | N | 93.8 | Very high | 94.6 | Very high | 59 Ų | 59 | 48.9 Ų | 48.9 | 32% | 0.316 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -51.8 | -37 | 175.4 | -66.4 | -19 | 0 | 0 | 0 | 112.6 | N39 Y43 C45 Y67 | N39-N41 VanDerWaalsContact C-N 3.25Å; N39-N41 PolarHBondContact O-N 3.24Å; N41-Y43 VanDerWaalsContact C-N 3.28Å; N41-Y43 PolarHBondContact O-N 3.15Å; N41-C45 VanDerWaalsContact O-CB 3.31Å; N41-C45 WeakPolarHBondContact O-CB 3.37Å; N41-C45 PolarHBondContact O-N 3.09Å; N41-Y67 PolarHBondContact N-OH 3.31Å; N41-Y67 WeakPolarHBondContact OD1-CE1 3.47Å; N41-Y67 PolarHBondContact OD1-OH 3.15Å |
| 42 | S | 93.1 | Very high | 94.2 | Very high | 18 Ų | 18 | 52.3 Ų | 52.3 | 13% | 0.126 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -70.2 | -24.5 | -178.7 | 76.5 | 0 | 0 | 0 | 0 | 113.7 | N39 M40 R57 | N39-S42 PolarHBondContact O-N 2.9Å; N39-S42 VanDerWaalsContact O-N 3.11Å; N39-S42 PolarHBondContact O-OG 3.46Å; M40-S42 PolarHBondContact O-N 3.24Å; M40-S42 VanDerWaalsContact O-N 3.08Å; S42-R57 VanDerWaalsContact CB-NH1 3.29Å; S42-R57 PolarHBondContact O-NH1 3.4Å; S42-R57 PolarHBondContact OG-NH1 3.45Å |
| 43 | Y | 94.4 | Very high | 93.8 | Very high | 112 Ų | 112 | 54.4 Ų | 54.4 | 44% | 0.439 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -94.2 | -26.6 | -177.5 | -66.3 | -76.6 | 0 | 0 | 0 | 112.7 | N39 M40 N41 W59 | N39-Y43 WeakPolarHBondContact O-CD2 3.48Å; M40-Y43 PolarHBondContact O-N 3.27Å; N41-Y43 VanDerWaalsContact C-N 3.28Å; N41-Y43 PolarHBondContact O-N 3.15Å; Y43-W59 PolarHBondContact O-NE1 3.45Å |
| 44 | F | 95.5 | Very high | 93.6 | Very high | 48 Ų | 48 | 55.7 Ų | 55.7 | 21% | 0.211 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -107.5 | -36.6 | -175 | -73.1 | -85.9 | 0 | 0 | 0 | 114.2 | L34 M40 T63 S64 Y67 | L34-F44 HydrophobicContact CD1-CZ 4.26Å; M40-F44 HydrophobicContact CB-CD2 4.35Å; M40-F44 WeakPolarHBondContact O-CD2 3.19Å; M40-F44 PolarHBondContact O-N 3.2Å; M40-F44 VanDerWaalsContact O-N 3.14Å; M40-F44 HydrophobicContact SD-CD2 4.39Å; M40-F44 HydrophobicContact SD-CE2 3.9Å; F44-T63 CarbonylContact O-C 3.5Å; F44-T63 PolarHBondContact O-OG1 2.99Å; F44-S64 WeakPolarHBondContact O-CA 3.46Å; F44-S64 PolarHBondContact O-N 2.6Å; F44-S64 VanDerWaalsContact O-N 3.08Å; F44-Y67 HydrophobicContact CB-CD1 3.87Å; F44-Y67 HydrophobicContact CB-CD2 3.48Å; F44-Y67 VanDerWaalsContact CB-CD2 3.48Å; F44-Y67 HydrophobicContact CB-CE1 4.26Å; F44-Y67 HydrophobicContact CB-CE2 3.9Å; F44-Y67 HydrophobicContact CB-CG 3.44Å; F44-Y67 VanDerWaalsContact CB-CG 3.44Å; F44-Y67 HydrophobicContact CD1-CD2 4.09Å; F44-Y67 HydrophobicContact CD2-CD2 4.08Å; F44-Y67 HydrophobicContact CD2-CE2 4.01Å; F44-Y67 AromaticContact CG-CD2 3.62Å; F44-Y67 HydrophobicContact CG-CD2 3.62Å; F44-Y67 HydrophobicContact CG-CE2 4Å; F44-Y67 HydrophobicContact CG-CG 4.08Å |
| 45 | C | 96.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -87.7 | 151.3 | 178.1 | -59.7 | 0 | 0 | 0 | 0 | 111.3 | N41 I47 T60 Y67 P133 C135 | N41-C45 VanDerWaalsContact O-CB 3.31Å; N41-C45 WeakPolarHBondContact O-CB 3.37Å; N41-C45 PolarHBondContact O-N 3.09Å; C45-I47 PolarHBondContact O-N 3.06Å; C45-T60 WeakPolarHBondContact O-CG2 3.26Å; C45-Y67 WeakPolarHBondContact SG-CD1 3.36Å; C45-Y67 WeakPolarHBondContact SG-CE1 3.26Å; C45-P133 HydrophobicContact CB-CB 3.68Å; C45-C135 HydrophobicContact CB-CB 3.68Å; C45-C135 WeakPolarHBondContact CB-SG 3.37Å; C45-C135 WeakPolarHBondContact SG-CB 3.49Å; C45-C135 CovalentContact SG-SG 2.06Å; C45-C135 PolarHBondContact SG-SG 3.41Å |
| 46 | I | 96.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 32% | 0.322 | C | S | . | . | B | Isolated β-bridge | trans | -76.9 | 120.4 | 172.3 | -54.8 | 152.1 | 0 | 0 | 0 | 107.4 | T60 L61 S64 A113 V134 | I46-T60 VanDerWaalsContact CG1-O 3.3Å; I46-T60 WeakPolarHBondContact CG1-O 3.2Å; I46-L61 HydrophobicContact CD1-CD2 3.88Å; I46-L61 HydrophobicContact CG1-CD2 4.13Å; I46-L61 HydrophobicContact CG2-CD2 4.47Å; I46-S64 WeakPolarHBondContact CD1-OG 3.48Å; I46-A113 HydrophobicContact CG2-CB 3.64Å; I46-V134 HydrophobicContact CB-CB 4.19Å; I46-V134 PolarHBondContact N-O 3.33Å; I46-V134 PolarHBondContact O-N 3.48Å |
| 47 | I | 95.4 | Very high | 93.3 | Very high | 12 Ų | 12 | 57.9 Ų | 57.9 | 6% | 0.062 | 30% | 0.299 | C | S | . | . | trans | -119.8 | 123.6 | 174.4 | -64.6 | 179.8 | 0 | 0 | 0 | 106.2 | C45 G49 Y50 L51 L129 F130 P133 | C45-I47 PolarHBondContact O-N 3.06Å; I47-G49 VanDerWaalsContact C-N 3.25Å; I47-G49 PolarHBondContact O-N 2.96Å; I47-G49 VanDerWaalsContact O-N 3.16Å; I47-Y50 HydrophobicContact CB-CD2 3.69Å; I47-Y50 HydrophobicContact CB-CE2 4.36Å; I47-Y50 HydrophobicContact CB-CG 4.45Å; I47-Y50 HydrophobicContact CD1-CD2 3.89Å; I47-Y50 HydrophobicContact CD1-CE2 3.87Å; I47-Y50 HydrophobicContact CG1-CD2 4.31Å; I47-Y50 HydrophobicContact CG2-CD2 3.75Å; I47-Y50 HydrophobicContact CG2-CE2 4.1Å; I47-Y50 HydrophobicContact CG2-CG 4.42Å; I47-Y50 PolarHBondContact O-N 3.28Å; I47-L51 PolarHBondContact O-N 3.45Å; I47-L129 WeakPolarHBondContact CG2-O 3.26Å; I47-F130 HydrophobicContact CG2-CB 4.44Å; I47-F130 HydrophobicContact CG2-CD1 4.22Å; I47-P133 HydrophobicContact CG1-CB 4.18Å | ||
| 48 | G | 92.7 | Very high | 93.3 | Very high | 4 Ų | 4 | 59.4 Ų | 59.4 | 4% | 0.041 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -52 | -43.5 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113 | Y50 L51 F117 L129 | G48-Y50 VanDerWaalsContact C-N 3.31Å; G48-Y50 PolarHBondContact O-N 3.4Å; G48-L51 PolarHBondContact O-N 3.42Å; G48-F117 VanDerWaalsContact O-CZ 3.29Å; G48-F117 WeakPolarHBondContact O-CZ 3.28Å; G48-L129 PolarHBondContact N-O 3.09Å |
| 49 | G | 92.8 | Very high | 93.4 | Very high | 9 Ų | 9 | 60.2 Ų | 60.2 | 9% | 0.093 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -67.7 | -23.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115 | I47 L129 | I47-G49 VanDerWaalsContact C-N 3.25Å; I47-G49 PolarHBondContact O-N 2.96Å; I47-G49 VanDerWaalsContact O-N 3.16Å; G49-L129 PolarHBondContact N-O 2.78Å |
| 50 | Y | 94.2 | Very high | 93.6 | Very high | 54 Ų | 54 | 54.3 Ų | 54.3 | 21% | 0.212 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -92 | -12.1 | 178.2 | -64.9 | -42.2 | 0 | 0 | 0 | 113.9 | I47 G48 L52 Y55 F56 R57 F130 | I47-Y50 HydrophobicContact CB-CD2 3.69Å; I47-Y50 HydrophobicContact CB-CE2 4.36Å; I47-Y50 HydrophobicContact CB-CG 4.45Å; I47-Y50 HydrophobicContact CD1-CD2 3.89Å; I47-Y50 HydrophobicContact CD1-CE2 3.87Å; I47-Y50 HydrophobicContact CG1-CD2 4.31Å; I47-Y50 HydrophobicContact CG2-CD2 3.75Å; I47-Y50 HydrophobicContact CG2-CE2 4.1Å; I47-Y50 HydrophobicContact CG2-CG 4.42Å; I47-Y50 PolarHBondContact O-N 3.28Å; G48-Y50 VanDerWaalsContact C-N 3.31Å; G48-Y50 PolarHBondContact O-N 3.4Å; Y50-L52 VanDerWaalsContact C-N 3.33Å; Y50-Y55 HydrophobicContact CD1-CD1 4.3Å; Y50-Y55 AromaticContact CD1-CD2 3.51Å; Y50-Y55 HydrophobicContact CD1-CD2 3.51Å; Y50-Y55 AromaticContact CD1-CE2 3.8Å; Y50-Y55 HydrophobicContact CD1-CE2 3.8Å; Y50-Y55 AromaticContact CD1-CG 3.76Å; Y50-Y55 HydrophobicContact CD1-CG 3.76Å; Y50-Y55 HydrophobicContact CE1-CD2 4.08Å; Y50-Y55 HydrophobicContact CE1-CE1 4.43Å; Y50-Y55 AromaticContact CE1-CE2 3.89Å; Y50-Y55 HydrophobicContact CE1-CE2 3.89Å; Y50-Y55 HydrophobicContact CE1-CG 4.4Å; Y50-F56 PolarHBondContact O-N 3.27Å; Y50-R57 PolarHBondContact O-N 2.91Å; Y50-F130 HydrophobicContact CD1-CD1 4.21Å; Y50-F130 AromaticContact CD1-CE1 3.78Å; Y50-F130 HydrophobicContact CD1-CE1 3.78Å; Y50-F130 AromaticContact CE1-CD1 3.84Å; Y50-F130 HydrophobicContact CE1-CD1 3.84Å; Y50-F130 AromaticContact CE1-CE1 3.61Å; Y50-F130 HydrophobicContact CE1-CE1 3.61Å; Y50-F130 HydrophobicContact CE2-CD1 4.19Å; Y50-F130 HydrophobicContact CG-CE1 4.41Å; Y50-F130 AromaticContact CZ-CD1 3.81Å |
| 51 | L | 92.7 | Very high | 93.5 | Very high | 13 Ų | 13 | 52.9 Ų | 52.9 | 7% | 0.068 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -74.1 | -28.7 | 177.1 | -168.1 | 62.9 | 0 | 0 | 0 | 112.1 | I47 G48 F58 L61 | I47-L51 PolarHBondContact O-N 3.45Å; G48-L51 PolarHBondContact O-N 3.42Å; L51-F58 HydrophobicContact CD1-CD1 3.61Å; L51-F58 HydrophobicContact CD1-CE1 4.04Å; L51-F58 HydrophobicContact CG-CD1 4.4Å; L51-F58 HydrophobicContact CG-CE1 4.35Å; L51-L61 HydrophobicContact CD1-CD1 4.48Å; L51-L61 HydrophobicContact CD1-CD2 4.45Å; L51-L61 HydrophobicContact CD1-CG 4.35Å |
| 52 | L | 89.3 | Confident | 93.5 | Very high | 86 Ų | 86 | 56.4 Ų | 56.4 | 45% | 0.45 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -92.7 | 169.6 | -178.7 | -71.3 | -171.2 | 0 | 0 | 0 | 112.5 | Y50 Y55 F56 F117 | Y50-L52 VanDerWaalsContact C-N 3.33Å; L52-Y55 PolarHBondContact O-N 3.46Å; L52-F56 PolarHBondContact O-N 3.46Å; L52-F117 HydrophobicContact CD1-CD1 4.08Å; L52-F117 HydrophobicContact CD1-CE1 3.28Å; L52-F117 HydrophobicContact CD1-CZ 3.75Å; L52-F117 HydrophobicContact CG-CE1 3.87Å; L52-F117 HydrophobicContact CG-CZ 3.84Å |
| 53 | P | 88.3 | Confident | 93.6 | Very high | 87 Ų | 87 | 57.4 Ų | 57.4 | 57% | 0.565 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | 143.1 | 168.9 | -14.2 | 17.2 | 0 | 0 | 0 | 111.1 | F56 | P53-F56 HydrophobicContact CB-CE1 4.21Å; P53-F56 HydrophobicContact CB-CE2 3.91Å; P53-F56 HydrophobicContact CB-CZ 3.63Å; P53-F56 HydrophobicContact CG-CE1 3.66Å; P53-F56 HydrophobicContact CG-CE2 4.21Å; P53-F56 HydrophobicContact CG-CZ 3.42Å; P53-F56 VanDerWaalsContact CG-CZ 3.42Å |
| 54 | P | 91.5 | Very high | 93.6 | Very high | 103 Ų | 103 | 52 Ų | 52 | 67% | 0.669 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -91.5 | -2.3 | 7.6 | 35.3 | -36.2 | 0 | 0 | 0 | 115.1 | ||
| 55 | Y | 92 | Very high | 93.6 | Very high | 121 Ų | 121 | 50.6 Ų | 50.6 | 48% | 0.475 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91 | -32.5 | -165.8 | -58.7 | -78.3 | 0 | 0 | 0 | 114.9 | Y50 L52 R57 | Y50-Y55 HydrophobicContact CD1-CD1 4.3Å; Y50-Y55 AromaticContact CD1-CD2 3.51Å; Y50-Y55 HydrophobicContact CD1-CD2 3.51Å; Y50-Y55 AromaticContact CD1-CE2 3.8Å; Y50-Y55 HydrophobicContact CD1-CE2 3.8Å; Y50-Y55 AromaticContact CD1-CG 3.76Å; Y50-Y55 HydrophobicContact CD1-CG 3.76Å; Y50-Y55 HydrophobicContact CE1-CD2 4.08Å; Y50-Y55 HydrophobicContact CE1-CE1 4.43Å; Y50-Y55 AromaticContact CE1-CE2 3.89Å; Y50-Y55 HydrophobicContact CE1-CE2 3.89Å; Y50-Y55 HydrophobicContact CE1-CG 4.4Å; L52-Y55 PolarHBondContact O-N 3.46Å; Y55-R57 VanDerWaalsContact C-N 3.34Å; Y55-R57 PolarHBondContact O-N 3.33Å |
| 56 | F | 93.5 | Very high | 93.6 | Very high | 102 Ų | 102 | 54.6 Ų | 54.6 | 45% | 0.447 | 27% | 0.265 | S | S | . | . | trans | 48.4 | 47.1 | 175.9 | -63.2 | -71.4 | 0 | 0 | 0 | 114.9 | Y50 L52 P53 F58 | Y50-F56 PolarHBondContact O-N 3.27Å; L52-F56 PolarHBondContact O-N 3.46Å; P53-F56 HydrophobicContact CB-CE1 4.21Å; P53-F56 HydrophobicContact CB-CE2 3.91Å; P53-F56 HydrophobicContact CB-CZ 3.63Å; P53-F56 HydrophobicContact CG-CE1 3.66Å; P53-F56 HydrophobicContact CG-CE2 4.21Å; P53-F56 HydrophobicContact CG-CZ 3.42Å; P53-F56 VanDerWaalsContact CG-CZ 3.42Å; F56-F58 HydrophobicContact CB-CD2 4.15Å; F56-F58 HydrophobicContact CB-CE2 3.8Å; F56-F58 AromaticContact CD1-CE2 3.53Å; F56-F58 HydrophobicContact CD1-CE2 3.53Å; F56-F58 AromaticContact CD1-CZ 3.7Å; F56-F58 HydrophobicContact CD1-CZ 3.7Å; F56-F58 HydrophobicContact CE1-CE2 4.5Å; F56-F58 HydrophobicContact CE1-CZ 4.46Å; F56-F58 HydrophobicContact CG-CE2 4.11Å; F56-F58 PolarHBondContact O-N 3.08Å | ||
| 57 | R | 94.4 | Very high | 93.5 | Very high | 30 Ų | 30 | 54.6 Ų | 54.6 | 11% | 0.113 | 27% | 0.265 | C | S | . | . | trans | -78.1 | 50.1 | -176.9 | -56.7 | -162.2 | 176.8 | 178.8 | -4.1 | 113.7 | S42 Y50 Y55 W59 T60 | S42-R57 VanDerWaalsContact CB-NH1 3.29Å; S42-R57 PolarHBondContact O-NH1 3.4Å; S42-R57 PolarHBondContact OG-NH1 3.45Å; Y50-R57 PolarHBondContact O-N 2.91Å; Y55-R57 VanDerWaalsContact C-N 3.34Å; Y55-R57 PolarHBondContact O-N 3.33Å; R57-W59 HydrophobicContact CB-CD2 4.42Å; R57-W59 HydrophobicContact CB-CE3 4.36Å; R57-W59 HydrophobicContact CB-CH2 3.79Å; R57-W59 HydrophobicContact CB-CZ2 3.8Å; R57-W59 HydrophobicContact CB-CZ3 4.07Å; R57-W59 HydrophobicContact CG-CH2 3.47Å; R57-W59 VanDerWaalsContact CG-CH2 3.47Å; R57-W59 HydrophobicContact CG-CZ2 3.67Å; R57-W59 HydrophobicContact CG-CZ3 4.11Å; R57-W59 PolarHBondContact O-N 3.44Å; R57-W59 VanDerWaalsContact O-N 3.1Å; R57-T60 HydrophobicContact CB-CG2 3.95Å; R57-T60 WeakPolarHBondContact O-CB 3.42Å; R57-T60 WeakPolarHBondContact O-CG2 3.34Å; R57-T60 PolarHBondContact O-N 2.91Å; R57-T60 PolarHBondContact O-OG1 3.02Å | ||
| 58 | F | 94 | Very high | 93.5 | Very high | 110 Ų | 110 | 54 Ų | 54 | 48% | 0.482 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -24.6 | -175 | -63.5 | -65.3 | 0 | 0 | 0 | 114.5 | L51 F56 T60 L61 | L51-F58 HydrophobicContact CD1-CD1 3.61Å; L51-F58 HydrophobicContact CD1-CE1 4.04Å; L51-F58 HydrophobicContact CG-CD1 4.4Å; L51-F58 HydrophobicContact CG-CE1 4.35Å; F56-F58 HydrophobicContact CB-CD2 4.15Å; F56-F58 HydrophobicContact CB-CE2 3.8Å; F56-F58 AromaticContact CD1-CE2 3.53Å; F56-F58 HydrophobicContact CD1-CE2 3.53Å; F56-F58 AromaticContact CD1-CZ 3.7Å; F56-F58 HydrophobicContact CD1-CZ 3.7Å; F56-F58 HydrophobicContact CE1-CE2 4.5Å; F56-F58 HydrophobicContact CE1-CZ 4.46Å; F56-F58 HydrophobicContact CG-CE2 4.11Å; F56-F58 PolarHBondContact O-N 3.08Å; F58-T60 PolarHBondContact O-N 2.93Å; F58-L61 WeakPolarHBondContact O-CB 3.3Å; F58-L61 WeakPolarHBondContact O-CG 3.42Å; F58-L61 PolarHBondContact O-N 2.87Å; F58-L61 VanDerWaalsContact O-N 3.15Å |
| 59 | W | 95 | Very high | 93.6 | Very high | 121 Ų | 121 | 57.7 Ų | 57.7 | 46% | 0.458 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -24.4 | 176.2 | 68 | 83.8 | 0 | 0 | 0 | 112.5 | Y43 R57 L61 F62 T63 | Y43-W59 PolarHBondContact O-NE1 3.45Å; R57-W59 HydrophobicContact CB-CD2 4.42Å; R57-W59 HydrophobicContact CB-CE3 4.36Å; R57-W59 HydrophobicContact CB-CH2 3.79Å; R57-W59 HydrophobicContact CB-CZ2 3.8Å; R57-W59 HydrophobicContact CB-CZ3 4.07Å; R57-W59 HydrophobicContact CG-CH2 3.47Å; R57-W59 VanDerWaalsContact CG-CH2 3.47Å; R57-W59 HydrophobicContact CG-CZ2 3.67Å; R57-W59 HydrophobicContact CG-CZ3 4.11Å; R57-W59 PolarHBondContact O-N 3.44Å; R57-W59 VanDerWaalsContact O-N 3.1Å; W59-L61 PolarHBondContact O-N 3.19Å; W59-L61 VanDerWaalsContact O-N 3.12Å; W59-F62 PolarHBondContact O-N 2.82Å; W59-T63 PolarHBondContact O-N 2.06Å; W59-T63 VanDerWaalsContact O-N 3.1Å; W59-T63 PolarHBondContact O-OG1 3.31Å |
| 60 | T | 95.6 | Very high | 93.6 | Very high | 3 Ų | 3 | 59 Ų | 59 | 2% | 0.018 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.3 | -25.4 | 178.3 | 63.2 | 0 | 0 | 0 | 0 | 112.1 | C45 I46 R57 F58 F62 T63 S64 | C45-T60 WeakPolarHBondContact O-CG2 3.26Å; I46-T60 VanDerWaalsContact CG1-O 3.3Å; I46-T60 WeakPolarHBondContact CG1-O 3.2Å; R57-T60 HydrophobicContact CB-CG2 3.95Å; R57-T60 WeakPolarHBondContact O-CB 3.42Å; R57-T60 WeakPolarHBondContact O-CG2 3.34Å; R57-T60 PolarHBondContact O-N 2.91Å; R57-T60 PolarHBondContact O-OG1 3.02Å; F58-T60 PolarHBondContact O-N 2.93Å; T60-F62 PolarHBondContact O-N 3.16Å; T60-T63 WeakPolarHBondContact CA-OG1 3.4Å; T60-S64 WeakPolarHBondContact O-CB 3.21Å; T60-S64 PolarHBondContact O-N 3.46Å; T60-S64 PolarHBondContact O-OG 2.8Å |
| 61 | L | 93.5 | Very high | 93.6 | Very high | 19 Ų | 19 | 60.9 Ų | 60.9 | 10% | 0.099 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.3 | -30.1 | 175.6 | -63.3 | 173.6 | 0 | 0 | 0 | 112.6 | I46 L51 F58 W59 F106 L110 | I46-L61 HydrophobicContact CD1-CD2 3.88Å; I46-L61 HydrophobicContact CG1-CD2 4.13Å; I46-L61 HydrophobicContact CG2-CD2 4.47Å; L51-L61 HydrophobicContact CD1-CD1 4.48Å; L51-L61 HydrophobicContact CD1-CD2 4.45Å; L51-L61 HydrophobicContact CD1-CG 4.35Å; F58-L61 WeakPolarHBondContact O-CB 3.3Å; F58-L61 WeakPolarHBondContact O-CG 3.42Å; F58-L61 PolarHBondContact O-N 2.87Å; F58-L61 VanDerWaalsContact O-N 3.15Å; W59-L61 PolarHBondContact O-N 3.19Å; W59-L61 VanDerWaalsContact O-N 3.12Å; L61-F106 HydrophobicContact CB-CD2 4.22Å; L61-F106 HydrophobicContact CB-CE2 3.77Å; L61-F106 HydrophobicContact CD1-CE2 4.07Å; L61-F106 HydrophobicContact CD1-CZ 4.32Å; L61-F106 HydrophobicContact CG-CE2 4.43Å; L61-L110 HydrophobicContact CD2-CD1 4.01Å |
| 62 | F | 92.3 | Very high | 93.7 | Very high | 133 Ų | 133 | 63.2 Ų | 63.2 | 58% | 0.583 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -94.6 | -46 | 178.3 | -60.6 | -78.2 | 0 | 0 | 0 | 111.5 | W59 T60 S64 S65 F106 | W59-F62 PolarHBondContact O-N 2.82Å; T60-F62 PolarHBondContact O-N 3.16Å; F62-S64 VanDerWaalsContact C-N 3.29Å; F62-S64 PolarHBondContact O-N 3.45Å; F62-S65 PolarHBondContact O-N 3.3Å; F62-F106 HydrophobicContact CE1-CD2 4.44Å; F62-F106 HydrophobicContact CE1-CE2 4.37Å; F62-F106 HydrophobicContact CZ-CE2 4.27Å |
| 63 | T | 95 | Very high | 94 | Very high | 38 Ų | 38 | 60.5 Ų | 60.5 | 23% | 0.233 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -69.3 | -27.2 | -175.3 | 58.8 | 0 | 0 | 0 | 0 | 113 | F44 W59 T60 S65 F66 | F44-T63 CarbonylContact O-C 3.5Å; F44-T63 PolarHBondContact O-OG1 2.99Å; W59-T63 PolarHBondContact O-N 2.06Å; W59-T63 VanDerWaalsContact O-N 3.1Å; W59-T63 PolarHBondContact O-OG1 3.31Å; T60-T63 WeakPolarHBondContact CA-OG1 3.4Å; T63-S65 PolarHBondContact O-N 3.01Å; T63-F66 PolarHBondContact O-N 2.83Å |
| 64 | S | 96 | Very high | 94.4 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -60.7 | -28.9 | -179.5 | 63.9 | 0 | 0 | 0 | 0 | 113 | F44 I46 T60 F62 F66 Y67 V134 C135 G136 | F44-S64 WeakPolarHBondContact O-CA 3.46Å; F44-S64 PolarHBondContact O-N 2.6Å; F44-S64 VanDerWaalsContact O-N 3.08Å; I46-S64 WeakPolarHBondContact CD1-OG 3.48Å; T60-S64 WeakPolarHBondContact O-CB 3.21Å; T60-S64 PolarHBondContact O-N 3.46Å; T60-S64 PolarHBondContact O-OG 2.8Å; F62-S64 VanDerWaalsContact C-N 3.29Å; F62-S64 PolarHBondContact O-N 3.45Å; S64-F66 PolarHBondContact O-N 3.27Å; S64-Y67 PolarHBondContact O-N 3.45Å; S64-V134 WeakPolarHBondContact CB-O 3.33Å; S64-C135 WeakPolarHBondContact O-CA 3.5Å; S64-C135 WeakPolarHBondContact O-CB 3.36Å; S64-G136 PolarHBondContact O-N 3.45Å |
| 65 | S | 95.5 | Very high | 94.7 | Very high | 18 Ų | 18 | 57.2 Ų | 57.2 | 13% | 0.126 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -66.2 | -23.7 | 178.4 | -57.2 | 0 | 0 | 0 | 0 | 113 | Q28 F62 T63 N105 L137 | Q28-S65 PolarHBondContact NE2-O 3.37Å; F62-S65 PolarHBondContact O-N 3.3Å; T63-S65 PolarHBondContact O-N 3.01Å; S65-N105 WeakPolarHBondContact CA-ND2 3.01Å; S65-N105 VanDerWaalsContact CB-ND2 3.29Å; S65-N105 WeakPolarHBondContact CB-ND2 3.28Å; S65-N105 PolarHBondContact OG-ND2 3.27Å; S65-L137 WeakPolarHBondContact O-CD2 3.36Å; S65-L137 WeakPolarHBondContact O-CG 3.49Å |
| 66 | F | 95 | Very high | 94.9 | Very high | 83 Ų | 83 | 53.3 Ų | 53.3 | 36% | 0.364 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -104.4 | -1.3 | -175.1 | -62.5 | -77.5 | 0 | 0 | 0 | 113.6 | I27 Q28 C31 T63 S64 | I27-F66 HydrophobicContact CG2-CB 4.06Å; I27-F66 HydrophobicContact CG2-CD1 3.84Å; I27-F66 HydrophobicContact CG2-CG 4.2Å; Q28-F66 PolarHBondContact OE1-O 3.13Å; C31-F66 WeakPolarHBondContact CB-O 3.14Å; T63-F66 PolarHBondContact O-N 2.83Å; S64-F66 PolarHBondContact O-N 3.27Å |
| 67 | Y | 96 | Very high | 95 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | trans | -122.7 | 133.5 | -168.7 | -178.4 | -86.6 | 0 | 0 | 0 | 111.6 | C31 S35 M40 N41 F44 C45 S64 F69 C135 G136 | C31-Y67 HydrophobicContact CB-CD2 4.18Å; C31-Y67 WeakPolarHBondContact O-CE2 3.44Å; S35-Y67 WeakPolarHBondContact CA-OH 3.3Å; S35-Y67 VanDerWaalsContact CB-CZ 3.46Å; S35-Y67 WeakPolarHBondContact CB-OH 3.29Å; M40-Y67 HydrophobicContact CB-CE2 4.47Å; N41-Y67 PolarHBondContact N-OH 3.31Å; N41-Y67 WeakPolarHBondContact OD1-CE1 3.47Å; N41-Y67 PolarHBondContact OD1-OH 3.15Å; F44-Y67 HydrophobicContact CB-CD1 3.87Å; F44-Y67 HydrophobicContact CB-CD2 3.48Å; F44-Y67 VanDerWaalsContact CB-CD2 3.48Å; F44-Y67 HydrophobicContact CB-CE1 4.26Å; F44-Y67 HydrophobicContact CB-CE2 3.9Å; F44-Y67 HydrophobicContact CB-CG 3.44Å; F44-Y67 VanDerWaalsContact CB-CG 3.44Å; F44-Y67 HydrophobicContact CD1-CD2 4.09Å; F44-Y67 HydrophobicContact CD2-CD2 4.08Å; F44-Y67 HydrophobicContact CD2-CE2 4.01Å; F44-Y67 AromaticContact CG-CD2 3.62Å; F44-Y67 HydrophobicContact CG-CD2 3.62Å; F44-Y67 HydrophobicContact CG-CE2 4Å; F44-Y67 HydrophobicContact CG-CG 4.08Å; C45-Y67 WeakPolarHBondContact SG-CD1 3.36Å; C45-Y67 WeakPolarHBondContact SG-CE1 3.26Å; S64-Y67 PolarHBondContact O-N 3.45Å; Y67-F69 HydrophobicContact CE1-CB 4.3Å; Y67-F69 HydrophobicContact CE1-CD1 4.43Å; Y67-C135 HydrophobicContact CD1-CB 4.41Å; Y67-C135 WeakPolarHBondContact O-CB 3.4Å; Y67-G136 PolarHBondContact O-N 3.37Å; Y67-G136 VanDerWaalsContact O-N 3.16Å | ||
| 68 | N | 95 | Very high | 95.1 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | trans | -138.6 | 146.7 | 167.9 | -74.7 | -87.4 | 0 | 0 | 0 | 109.7 | Y32 L73 D77 G136 | Y32-N68 WeakPolarHBondContact CD2-O 3.47Å; N68-L73 HydrophobicContact CB-CB 4.44Å; N68-L73 WeakPolarHBondContact OD1-CB 3.4Å; N68-D77 VanDerWaalsContact ND2-CG 3.35Å; N68-D77 PolarHBondContact ND2-OD2 2.89Å; N68-G136 WeakPolarHBondContact ND2-CA 3.27Å; N68-G136 WeakPolarHBondContact OD1-CA 3.35Å | ||
| 69 | F | 94 | Very high | 95.2 | Very high | 82 Ų | 82 | 47.8 Ų | 47.8 | 36% | 0.36 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -105 | -10.3 | 176.2 | 57.9 | -94.1 | 0 | 0 | 0 | 113.1 | Y67 P133 | Y67-F69 HydrophobicContact CE1-CB 4.3Å; Y67-F69 HydrophobicContact CE1-CD1 4.43Å; F69-P133 HydrophobicContact CE1-CB 4.49Å; F69-P133 HydrophobicContact CE1-CG 3.95Å; F69-P133 HydrophobicContact CZ-CG 4.21Å |
| 70 | S | 93.4 | Very high | 95.3 | Very high | 36 Ų | 36 | 42 Ų | 42 | 25% | 0.252 | 22% | 0.217 | S | C | . | . | trans | -108.7 | 131.3 | 178.7 | 174 | 0 | 0 | 0 | 0 | 110.2 | T72 L73 L74 | S70-T72 VanDerWaalsContact C-N 3.26Å; S70-T72 PolarHBondContact O-N 3.33Å; S70-T72 PolarHBondContact OG-N 3.15Å; S70-L73 PolarHBondContact O-N 2.88Å; S70-L73 VanDerWaalsContact O-N 3.17Å; S70-L74 PolarHBondContact O-N 3.29Å | ||
| 71 | L | 94.9 | Very high | 95.2 | Very high | 93 Ų | 93 | 42.6 Ų | 42.6 | 49% | 0.487 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -58.4 | -40.2 | 176.3 | -174.9 | 61.7 | 0 | 0 | 0 | 111.6 | Y32 L73 L74 L75 | Y32-L71 HydrophobicContact CE1-CD1 4.22Å; Y32-L71 HydrophobicContact CE2-CB 4.42Å; L71-L73 VanDerWaalsContact C-N 3.34Å; L71-L73 PolarHBondContact O-N 3Å; L71-L74 HydrophobicContact CD1-CD2 4.25Å; L71-L74 WeakPolarHBondContact O-CB 3.49Å; L71-L74 PolarHBondContact O-N 3.01Å; L71-L75 WeakPolarHBondContact O-CG 3.45Å; L71-L75 PolarHBondContact O-N 3.47Å |
| 72 | T | 94.6 | Very high | 95.2 | Very high | 63 Ų | 63 | 44.8 Ų | 44.8 | 39% | 0.387 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61.5 | -43 | 177.8 | -53.3 | 0 | 0 | 0 | 0 | 111.4 | S70 L75 L76 F186 | S70-T72 VanDerWaalsContact C-N 3.26Å; S70-T72 PolarHBondContact O-N 3.33Å; S70-T72 PolarHBondContact OG-N 3.15Å; T72-L75 PolarHBondContact O-N 3.4Å; T72-L76 HydrophobicContact CG2-CD1 4.32Å; T72-L76 VanDerWaalsContact O-CD1 3.3Å; T72-L76 WeakPolarHBondContact O-CD1 3.2Å; T72-L76 PolarHBondContact O-N 3.39Å; T72-F186 HydrophobicContact CG2-CE1 4.09Å; T72-F186 HydrophobicContact CG2-CZ 4.36Å |
| 73 | L | 94.9 | Very high | 95.3 | Very high | 28 Ų | 28 | 41.4 Ų | 41.4 | 15% | 0.147 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -69.7 | -37.3 | 177.3 | -64.1 | 179.1 | 0 | 0 | 0 | 111.9 | N68 S70 L71 L75 L76 D77 V138 | N68-L73 HydrophobicContact CB-CB 4.44Å; N68-L73 WeakPolarHBondContact OD1-CB 3.4Å; S70-L73 PolarHBondContact O-N 2.88Å; S70-L73 VanDerWaalsContact O-N 3.17Å; L71-L73 VanDerWaalsContact C-N 3.34Å; L71-L73 PolarHBondContact O-N 3Å; L73-L75 VanDerWaalsContact C-N 3.34Å; L73-L75 PolarHBondContact O-N 3.33Å; L73-L76 WeakPolarHBondContact O-CB 3.07Å; L73-L76 PolarHBondContact O-N 2.98Å; L73-D77 PolarHBondContact O-N 3.48Å; L73-V138 HydrophobicContact CD2-CG2 3.91Å |
| 74 | L | 96.7 | Very high | 95.1 | Very high | 11 Ų | 11 | 39.8 Ų | 39.8 | 6% | 0.058 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.4 | -46.5 | 171.6 | 176.4 | 68.5 | 0 | 0 | 0 | 111.2 | Q28 Y32 S70 L71 L76 D77 I78 | Q28-L74 HydrophobicContact CB-CD1 3.87Å; Y32-L74 HydrophobicContact CD1-CD2 3.75Å; Y32-L74 HydrophobicContact CD2-CB 4.3Å; Y32-L74 HydrophobicContact CD2-CD2 4.07Å; Y32-L74 HydrophobicContact CE1-CD2 4.33Å; Y32-L74 HydrophobicContact CG-CD2 3.6Å; S70-L74 PolarHBondContact O-N 3.29Å; L71-L74 HydrophobicContact CD1-CD2 4.25Å; L71-L74 WeakPolarHBondContact O-CB 3.49Å; L71-L74 PolarHBondContact O-N 3.01Å; L74-L76 VanDerWaalsContact C-N 3.29Å; L74-L76 PolarHBondContact O-N 3.26Å; L74-D77 WeakPolarHBondContact O-CB 3.37Å; L74-D77 PolarHBondContact O-N 3.07Å; L74-D77 VanDerWaalsContact O-N 3.09Å; L74-I78 HydrophobicContact CD1-CG1 4.37Å; L74-I78 HydrophobicContact CG-CG1 4.48Å; L74-I78 WeakPolarHBondContact O-CG1 3.41Å; L74-I78 PolarHBondContact O-N 2.91Å |
| 75 | L | 96.8 | Very high | 94.8 | Very high | 110 Ų | 110 | 39.8 Ų | 39.8 | 58% | 0.576 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -61.5 | -39.6 | 177.6 | -68.4 | 176.7 | 0 | 0 | 0 | 111.6 | L71 T72 L73 D77 L79 | L71-L75 WeakPolarHBondContact O-CG 3.45Å; L71-L75 PolarHBondContact O-N 3.47Å; T72-L75 PolarHBondContact O-N 3.4Å; L73-L75 VanDerWaalsContact C-N 3.34Å; L73-L75 PolarHBondContact O-N 3.33Å; L75-D77 VanDerWaalsContact C-N 3.33Å; L75-L79 VanDerWaalsContact O-CB 3.31Å; L75-L79 WeakPolarHBondContact O-CB 3.45Å; L75-L79 PolarHBondContact O-N 3.24Å |
| 76 | L | 96.2 | Very high | 94.4 | Very high | 40 Ų | 40 | 42.2 Ų | 42.2 | 21% | 0.209 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62 | -39.2 | 172.2 | -100.5 | 80.6 | 0 | 0 | 0 | 112.2 | T72 L73 L74 L79 T80 L141 F178 | T72-L76 HydrophobicContact CG2-CD1 4.32Å; T72-L76 VanDerWaalsContact O-CD1 3.3Å; T72-L76 WeakPolarHBondContact O-CD1 3.2Å; T72-L76 PolarHBondContact O-N 3.39Å; L73-L76 WeakPolarHBondContact O-CB 3.07Å; L73-L76 PolarHBondContact O-N 2.98Å; L74-L76 VanDerWaalsContact C-N 3.29Å; L74-L76 PolarHBondContact O-N 3.26Å; L76-L79 WeakPolarHBondContact O-CB 3.33Å; L76-L79 PolarHBondContact O-N 2.95Å; L76-T80 WeakPolarHBondContact O-CB 3.4Å; L76-T80 PolarHBondContact O-N 3.06Å; L76-T80 PolarHBondContact O-OG1 2.9Å; L76-L141 HydrophobicContact CD2-CD2 3.61Å; L76-L141 HydrophobicContact CG-CD2 4.09Å; L76-F178 HydrophobicContact CD2-CE2 4.32Å; L76-F178 HydrophobicContact CD2-CZ 3.67Å |
| 77 | D | 96.9 | Very high | 94 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -68.2 | -43.8 | 179.1 | -82.7 | 20.8 | 0 | 0 | 0 | 111.8 | N68 L73 L74 L75 L79 T80 V81 G136 L137 | N68-D77 VanDerWaalsContact ND2-CG 3.35Å; N68-D77 PolarHBondContact ND2-OD2 2.89Å; L73-D77 PolarHBondContact O-N 3.48Å; L74-D77 WeakPolarHBondContact O-CB 3.37Å; L74-D77 PolarHBondContact O-N 3.07Å; L74-D77 VanDerWaalsContact O-N 3.09Å; L75-D77 VanDerWaalsContact C-N 3.33Å; D77-L79 VanDerWaalsContact C-N 3.32Å; D77-L79 PolarHBondContact O-N 2.92Å; D77-T80 WeakPolarHBondContact O-CB 3.31Å; D77-T80 PolarHBondContact O-N 3.2Å; D77-V81 WeakPolarHBondContact O-CG2 3.44Å; D77-V81 PolarHBondContact O-N 2.62Å; D77-G136 WeakPolarHBondContact OD2-CA 3.36Å; D77-L137 HydrophobicContact CB-CB 4.29Å; D77-L137 HydrophobicContact CB-CD1 4.32Å; D77-L137 VanDerWaalsContact CG-N 3.28Å; D77-L137 WeakPolarHBondContact OD1-CA 3.32Å; D77-L137 WeakPolarHBondContact OD1-CB 3.38Å; D77-L137 PolarHBondContact OD1-N 2.85Å; D77-L137 WeakPolarHBondContact OD2-CB 3.47Å; D77-L137 WeakPolarHBondContact OD2-CG 3.42Å; D77-L137 PolarHBondContact OD2-N 3.48Å |
| 78 | I | 97 | Very high | 93.2 | Very high | 43 Ų | 43 | 39.9 Ų | 39.9 | 22% | 0.221 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.8 | -44.4 | 173.2 | -61.5 | -59.8 | 0 | 0 | 0 | 110.3 | M25 Q28 L74 T80 V81 F82 | M25-I78 HydrophobicContact CB-CD1 3.69Å; M25-I78 HydrophobicContact CE-CG2 4.21Å; M25-I78 HydrophobicContact CG-CD1 3.77Å; M25-I78 HydrophobicContact CG-CG2 4.4Å; M25-I78 HydrophobicContact SD-CG2 4.37Å; Q28-I78 HydrophobicContact CB-CD1 4.21Å; L74-I78 HydrophobicContact CD1-CG1 4.37Å; L74-I78 HydrophobicContact CG-CG1 4.48Å; L74-I78 WeakPolarHBondContact O-CG1 3.41Å; L74-I78 PolarHBondContact O-N 2.91Å; I78-T80 VanDerWaalsContact C-N 3.33Å; I78-T80 PolarHBondContact O-N 2.71Å; I78-V81 PolarHBondContact O-N 3.05Å; I78-F82 VanDerWaalsContact O-CB 3.3Å; I78-F82 WeakPolarHBondContact O-CB 3Å; I78-F82 PolarHBondContact O-N 2.99Å |
| 79 | L | 95.7 | Very high | 92.2 | Very high | 83 Ų | 83 | 42.5 Ų | 42.5 | 44% | 0.435 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -59.6 | -43.5 | 174.1 | 177 | 65.2 | 0 | 0 | 0 | 111.5 | L75 L76 D77 F82 L83 | L75-L79 VanDerWaalsContact O-CB 3.31Å; L75-L79 WeakPolarHBondContact O-CB 3.45Å; L75-L79 PolarHBondContact O-N 3.24Å; L76-L79 WeakPolarHBondContact O-CB 3.33Å; L76-L79 PolarHBondContact O-N 2.95Å; D77-L79 VanDerWaalsContact C-N 3.32Å; D77-L79 PolarHBondContact O-N 2.92Å; L79-F82 PolarHBondContact O-N 2.87Å; L79-L83 HydrophobicContact CD1-CD1 3.93Å; L79-L83 HydrophobicContact CD1-CD2 4.41Å; L79-L83 HydrophobicContact CD1-CG 3.89Å; L79-L83 HydrophobicContact CD2-CD1 4.44Å; L79-L83 HydrophobicContact CG-CD1 3.84Å; L79-L83 HydrophobicContact CG-CG 4.21Å; L79-L83 WeakPolarHBondContact O-CB 3.33Å; L79-L83 VanDerWaalsContact O-CG 3.27Å; L79-L83 WeakPolarHBondContact O-CG 3.5Å; L79-L83 PolarHBondContact O-N 3.43Å |
| 80 | T | 96.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.8 | -51.9 | 179.5 | -60.1 | 0 | 0 | 0 | 0 | 110.7 | L76 D77 I78 F82 L83 M84 L137 L140 L141 V144 | L76-T80 WeakPolarHBondContact O-CB 3.4Å; L76-T80 PolarHBondContact O-N 3.06Å; L76-T80 PolarHBondContact O-OG1 2.9Å; D77-T80 WeakPolarHBondContact O-CB 3.31Å; D77-T80 PolarHBondContact O-N 3.2Å; I78-T80 VanDerWaalsContact C-N 3.33Å; I78-T80 PolarHBondContact O-N 2.71Å; T80-F82 VanDerWaalsContact C-N 3.29Å; T80-F82 PolarHBondContact O-N 3.36Å; T80-L83 PolarHBondContact O-N 3.04Å; T80-M84 WeakPolarHBondContact O-CB 3.47Å; T80-M84 PolarHBondContact O-N 3.42Å; T80-L137 HydrophobicContact CG2-CB 4.46Å; T80-L140 HydrophobicContact CG2-CB 4.01Å; T80-L140 HydrophobicContact CG2-CD2 4.16Å; T80-L140 HydrophobicContact CG2-CG 3.92Å; T80-L141 HydrophobicContact CG2-CB 4.12Å; T80-L141 HydrophobicContact CG2-CD1 4.5Å; T80-L141 WeakPolarHBondContact OG1-CB 3.48Å; T80-L141 WeakPolarHBondContact OG1-CD1 3.39Å; T80-V144 HydrophobicContact CG2-CG2 3.99Å |
| 81 | V | 94.8 | Very high | 90.5 | Very high | 15 Ų | 15 | 44.2 Ų | 44.2 | 9% | 0.091 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.9 | -37.2 | -179.7 | 175.3 | 0 | 0 | 0 | 0 | 110.8 | T21 V24 M25 D77 I78 D85 L137 | T21-V81 HydrophobicContact CG2-CG1 3.54Å; V24-V81 HydrophobicContact CB-CG1 4.35Å; V24-V81 HydrophobicContact CG1-CG1 4.21Å; V24-V81 HydrophobicContact CG1-CG2 3.99Å; M25-V81 HydrophobicContact CE-CB 4.28Å; M25-V81 HydrophobicContact CE-CG1 4.1Å; M25-V81 HydrophobicContact CG-CB 4.45Å; M25-V81 HydrophobicContact CG-CG1 4.05Å; D77-V81 WeakPolarHBondContact O-CG2 3.44Å; D77-V81 PolarHBondContact O-N 2.62Å; I78-V81 PolarHBondContact O-N 3.05Å; V81-D85 WeakPolarHBondContact O-CB 3.42Å; V81-D85 PolarHBondContact O-N 3.16Å; V81-L137 HydrophobicContact CG2-CD1 3.54Å |
| 82 | F | 93.4 | Very high | 89.8 | Confident | 65 Ų | 65 | 41.7 Ų | 41.7 | 29% | 0.285 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64.5 | -53.2 | 174.1 | 177.2 | -100.6 | 0 | 0 | 0 | 112.7 | C17 M25 I78 L79 T80 M84 D85 K86 | C17-F82 VanDerWaalsContact SG-CD2 3.57Å; M25-F82 HydrophobicContact CE-CB 3.64Å; M25-F82 HydrophobicContact CE-CD2 4.47Å; I78-F82 VanDerWaalsContact O-CB 3.3Å; I78-F82 WeakPolarHBondContact O-CB 3Å; I78-F82 PolarHBondContact O-N 2.99Å; L79-F82 PolarHBondContact O-N 2.87Å; T80-F82 VanDerWaalsContact C-N 3.29Å; T80-F82 PolarHBondContact O-N 3.36Å; F82-M84 VanDerWaalsContact C-N 3.27Å; F82-M84 PolarHBondContact O-N 2.82Å; F82-D85 WeakPolarHBondContact O-CB 3.26Å; F82-D85 PolarHBondContact O-N 3Å; F82-K86 HydrophobicContact CD1-CG 4.44Å; F82-K86 HydrophobicContact CE1-CG 4Å; F82-K86 HydrophobicContact CE2-CD 4.39Å; F82-K86 HydrophobicContact CE2-CG 4.11Å; F82-K86 HydrophobicContact CZ-CD 4.25Å; F82-K86 HydrophobicContact CZ-CG 3.82Å; F82-K86 WeakPolarHBondContact O-CG 3.45Å; F82-K86 PolarHBondContact O-N 3.38Å |
| 83 | L | 92.8 | Very high | 89.3 | Confident | 61 Ų | 61 | 45.8 Ų | 45.8 | 32% | 0.319 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -59.8 | -43 | 179.8 | -72.8 | 176 | 0 | 0 | 0 | 110.7 | L79 T80 D85 K86 L87 L141 V144 | L79-L83 HydrophobicContact CD1-CD1 3.93Å; L79-L83 HydrophobicContact CD1-CD2 4.41Å; L79-L83 HydrophobicContact CD1-CG 3.89Å; L79-L83 HydrophobicContact CD2-CD1 4.44Å; L79-L83 HydrophobicContact CG-CD1 3.84Å; L79-L83 HydrophobicContact CG-CG 4.21Å; L79-L83 WeakPolarHBondContact O-CB 3.33Å; L79-L83 VanDerWaalsContact O-CG 3.27Å; L79-L83 WeakPolarHBondContact O-CG 3.5Å; L79-L83 PolarHBondContact O-N 3.43Å; T80-L83 PolarHBondContact O-N 3.04Å; L83-D85 PolarHBondContact O-N 2.95Å; L83-K86 PolarHBondContact O-N 2.88Å; L83-L87 WeakPolarHBondContact O-CB 3.15Å; L83-L87 VanDerWaalsContact O-CG 3.27Å; L83-L87 WeakPolarHBondContact O-CG 3.3Å; L83-L87 PolarHBondContact O-N 3.25Å; L83-L141 HydrophobicContact CD1-CD1 4.4Å; L83-V144 HydrophobicContact CB-CG1 3.86Å; L83-V144 HydrophobicContact CD1-CG1 4.41Å |
| 84 | M | 91.6 | Very high | 88.8 | Confident | 4 Ų | 4 | 50 Ų | 50 | 2% | 0.02 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -57 | -49.5 | 175 | -170.3 | 72.2 | 89 | 0 | 0 | 111.6 | T80 F82 K86 L87 L88 L97 F100 L140 V144 L147 | T80-M84 WeakPolarHBondContact O-CB 3.47Å; T80-M84 PolarHBondContact O-N 3.42Å; F82-M84 VanDerWaalsContact C-N 3.27Å; F82-M84 PolarHBondContact O-N 2.82Å; M84-K86 VanDerWaalsContact C-N 3.3Å; M84-K86 PolarHBondContact O-N 3.32Å; M84-L87 PolarHBondContact O-N 2.86Å; M84-L88 HydrophobicContact CB-CD1 4.49Å; M84-L88 HydrophobicContact CG-CD1 3.64Å; M84-L88 WeakPolarHBondContact O-CD1 3.19Å; M84-L88 PolarHBondContact O-N 2.99Å; M84-L88 HydrophobicContact SD-CD1 3.2Å; M84-L88 WeakPolarHBondContact SD-CD1 3.4Å; M84-L97 HydrophobicContact CE-CD1 4.09Å; M84-L97 HydrophobicContact CG-CD1 3.13Å; M84-L97 HydrophobicContact CG-CD2 3.9Å; M84-L97 HydrophobicContact CG-CG 4.12Å; M84-L97 HydrophobicContact SD-CD1 3.41Å; M84-L97 WeakPolarHBondContact SD-CD1 3.32Å; M84-F100 HydrophobicContact CE-CD1 3.81Å; M84-F100 HydrophobicContact CE-CE1 3.7Å; M84-F100 HydrophobicContact SD-CD1 4.12Å; M84-F100 HydrophobicContact SD-CE1 4.11Å; M84-L140 HydrophobicContact CE-CD1 3.27Å; M84-L140 HydrophobicContact CE-CD2 3.75Å; M84-L140 HydrophobicContact CE-CG 3.41Å; M84-L140 VanDerWaalsContact CE-CG 3.41Å; M84-V144 HydrophobicContact CB-CG2 4.02Å; M84-V144 HydrophobicContact CE-CG2 3.25Å; M84-V144 HydrophobicContact CG-CG2 4.43Å; M84-V144 HydrophobicContact SD-CG2 3.64Å; M84-L147 HydrophobicContact SD-CD2 3.9Å |
| 85 | D | 90.4 | Very high | 88.4 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -57.1 | -44.6 | 175.7 | -164.8 | 65.3 | 0 | 0 | 0 | 111.6 | C17 R18 T21 V81 F82 L83 S89 | C17-D85 WeakPolarHBondContact CA-OD2 3.26Å; R18-D85 IonicContact CZ-OD1 3.23Å; R18-D85 VanDerWaalsContact CZ-OD1 3.23Å; R18-D85 PolarHBondContact N-OD2 2.9Å; R18-D85 IonicContact NE-OD1 2.72Å; R18-D85 PolarHBondContact NE-OD1 3.41Å; R18-D85 IonicContact NH2-OD1 2.85Å; R18-D85 PolarHBondContact NH2-OD1 3.26Å; T21-D85 HydrophobicContact CG2-CB 3.67Å; T21-D85 VanDerWaalsContact OG1-CG 3.27Å; T21-D85 PolarHBondContact OG1-OD1 2.95Å; V81-D85 WeakPolarHBondContact O-CB 3.42Å; V81-D85 PolarHBondContact O-N 3.16Å; F82-D85 WeakPolarHBondContact O-CB 3.26Å; F82-D85 PolarHBondContact O-N 3Å; L83-D85 PolarHBondContact O-N 2.95Å; D85-S89 WeakPolarHBondContact O-CB 3.46Å; D85-S89 PolarHBondContact O-N 2.96Å; D85-S89 PolarHBondContact O-OG 3.17Å; D85-S89 PolarHBondContact OD1-OG 2.98Å |
| 86 | K | 87 | Confident | 88 | Confident | 68 Ų | 68 | 50.6 Ų | 50.6 | 30% | 0.296 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -70.2 | -36.4 | -177.8 | -64.7 | -65.1 | 142.6 | -164.9 | 0 | 113.6 | V14 N16 F82 L83 M84 | V14-K86 WeakPolarHBondContact O-CD 3.38Å; V14-K86 WeakPolarHBondContact O-CE 3.19Å; V14-K86 PolarHBondContact O-NZ 2.85Å; N16-K86 PolarHBondContact O-NZ 3.44Å; F82-K86 HydrophobicContact CD1-CG 4.44Å; F82-K86 HydrophobicContact CE1-CG 4Å; F82-K86 HydrophobicContact CE2-CD 4.39Å; F82-K86 HydrophobicContact CE2-CG 4.11Å; F82-K86 HydrophobicContact CZ-CD 4.25Å; F82-K86 HydrophobicContact CZ-CG 3.82Å; F82-K86 WeakPolarHBondContact O-CG 3.45Å; F82-K86 PolarHBondContact O-N 3.38Å; L83-K86 PolarHBondContact O-N 2.88Å; M84-K86 VanDerWaalsContact C-N 3.3Å; M84-K86 PolarHBondContact O-N 3.32Å |
| 87 | L | 85.2 | Confident | 87.6 | Confident | 31 Ų | 31 | 49.5 Ų | 49.5 | 16% | 0.162 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -73.7 | -37.7 | 178.7 | -67.9 | 175.9 | 0 | 0 | 0 | 112.1 | L83 M84 V144 M152 | L83-L87 WeakPolarHBondContact O-CB 3.15Å; L83-L87 VanDerWaalsContact O-CG 3.27Å; L83-L87 WeakPolarHBondContact O-CG 3.3Å; L83-L87 PolarHBondContact O-N 3.25Å; M84-L87 PolarHBondContact O-N 2.86Å; L87-V144 HydrophobicContact CD1-CG1 3.79Å; L87-M152 HydrophobicContact CD2-CE 3.44Å; L87-M152 VanDerWaalsContact CD2-CE 3.44Å; L87-M152 HydrophobicContact CD2-SD 4.24Å |
| 88 | L | 79.3 | Confident | 87.3 | Confident | 4 Ų | 4 | 53.5 Ų | 53.5 | 2% | 0.021 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -98.7 | -18.6 | -175.1 | -68.6 | 103.9 | 0 | 0 | 0 | 116.1 | M84 G90 Y92 L97 L147 | M84-L88 HydrophobicContact CB-CD1 4.49Å; M84-L88 HydrophobicContact CG-CD1 3.64Å; M84-L88 WeakPolarHBondContact O-CD1 3.19Å; M84-L88 PolarHBondContact O-N 2.99Å; M84-L88 HydrophobicContact SD-CD1 3.2Å; M84-L88 WeakPolarHBondContact SD-CD1 3.4Å; L88-G90 PolarHBondContact O-N 3.02Å; L88-Y92 HydrophobicContact CB-CD2 4.26Å; L88-Y92 HydrophobicContact CD2-CD2 3.56Å; L88-Y92 HydrophobicContact CD2-CE2 4.35Å; L88-Y92 HydrophobicContact CD2-CG 3.84Å; L88-Y92 HydrophobicContact CG-CD2 3.95Å; L88-Y92 PolarHBondContact O-N 3.39Å; L88-L97 HydrophobicContact CD1-CD1 3.73Å; L88-L97 HydrophobicContact CD2-CB 4.13Å; L88-L97 HydrophobicContact CD2-CD1 4.04Å; L88-L97 HydrophobicContact CG-CD1 4.43Å; L88-L147 HydrophobicContact CD1-CD2 3.13Å; L88-L147 HydrophobicContact CD1-CG 4.48Å; L88-L147 HydrophobicContact CD2-CD2 3.87Å; L88-L147 HydrophobicContact CG-CD2 3.6Å |
| 89 | S | 74.3 | Confident | 87.1 | Confident | 54 Ų | 54 | 58.4 Ų | 58.4 | 38% | 0.378 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -15.1 | -175.1 | -72.6 | 0 | 0 | 0 | 0 | 114.1 | D85 | D85-S89 WeakPolarHBondContact O-CB 3.46Å; D85-S89 PolarHBondContact O-N 2.96Å; D85-S89 PolarHBondContact O-OG 3.17Å; D85-S89 PolarHBondContact OD1-OG 2.98Å |
| 90 | G | 74.9 | Confident | 87.1 | Confident | 68 Ų | 68 | 54.7 Ų | 54.7 | 70% | 0.701 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -78.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L88 | L88-G90 PolarHBondContact O-N 3.02Š|
| 91 | P | 76.8 | Confident | 87 | Confident | 87 Ų | 87 | 55.9 Ų | 55.9 | 57% | 0.565 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -22.3 | -164.2 | 25.1 | -30.1 | 0 | 0 | 0 | 115.6 | M151 | P91-M151 HydrophobicContact CG-SD 3.88Š|
| 92 | Y | 79.6 | Confident | 87 | Confident | 39 Ų | 39 | 59 Ų | 59 | 15% | 0.153 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -114.2 | 147 | -169.5 | -64.8 | -78.2 | 0 | 0 | 0 | 113.6 | L88 E96 M151 Q210 | L88-Y92 HydrophobicContact CB-CD2 4.26Å; L88-Y92 HydrophobicContact CD2-CD2 3.56Å; L88-Y92 HydrophobicContact CD2-CE2 4.35Å; L88-Y92 HydrophobicContact CD2-CG 3.84Å; L88-Y92 HydrophobicContact CG-CD2 3.95Å; L88-Y92 PolarHBondContact O-N 3.39Å; Y92-E96 HydrophobicContact CD1-CB 4.48Å; Y92-E96 WeakPolarHBondContact CD1-OE2 3.27Å; Y92-M151 HydrophobicContact CE2-CE 3.7Å; Y92-M151 HydrophobicContact CE2-SD 3.75Å; Y92-M151 VanDerWaalsContact OH-CE 3.25Å; Y92-M151 WeakPolarHBondContact OH-CE 3.38Å; Y92-Q210 PolarHBondContact OH-NE2 3.38Å |
| 93 | K | 84.8 | Confident | 87.1 | Confident | 149 Ų | 149 | 58.8 Ų | 58.8 | 65% | 0.648 | 31% | 0.307 | S | S | * | . | trans | -70.4 | 151 | 170.5 | -66.8 | 178.3 | -178.8 | 174.9 | 0 | 109.9 | L95 E96 L97 | K93-L95 PolarHBondContact O-N 3.32Å; K93-L95 VanDerWaalsContact O-N 3.15Å; K93-E96 HydrophobicContact CB-CG 4.5Å; K93-E96 PolarHBondContact N-OE2 2.61Å; K93-E96 VanDerWaalsContact N-OE2 3.08Å; K93-E96 WeakPolarHBondContact O-CB 3.4Å; K93-E96 PolarHBondContact O-N 3.2Å; K93-L97 PolarHBondContact O-N 3.27Å | ||
| 94 | W | 84.5 | Confident | 87.3 | Confident | 117 Ų | 117 | 55.9 Ų | 55.9 | 44% | 0.443 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -58.3 | -32.4 | 179.1 | 83.8 | -93.5 | 0 | 0 | 0 | 113 | L97 L98 | W94-L97 WeakPolarHBondContact O-CB 3.27Å; W94-L97 PolarHBondContact O-N 2.91Å; W94-L98 HydrophobicContact CE3-CB 4.35Å; W94-L98 HydrophobicContact CH2-CD2 4.34Å; W94-L98 HydrophobicContact CZ3-CB 4.21Å; W94-L98 HydrophobicContact CZ3-CD2 3.82Å; W94-L98 PolarHBondContact O-N 3.46Å |
| 95 | L | 89 | Confident | 87.5 | Confident | 73 Ų | 73 | 55.8 Ų | 55.8 | 38% | 0.382 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -66.9 | -35.6 | 176.4 | -74.2 | 172.3 | 0 | 0 | 0 | 112.8 | K93 L97 L98 R99 | K93-L95 PolarHBondContact O-N 3.32Å; K93-L95 VanDerWaalsContact O-N 3.15Å; L95-L97 VanDerWaalsContact C-N 3.32Å; L95-L98 PolarHBondContact O-N 3.38Å; L95-R99 VanDerWaalsContact O-CG 3.27Å; L95-R99 WeakPolarHBondContact O-CG 3.41Å; L95-R99 PolarHBondContact O-N 2.91Å |
| 96 | E | 87.4 | Confident | 87.8 | Confident | 60 Ų | 60 | 58.8 Ų | 58.8 | 28% | 0.28 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -69 | -38.6 | 176 | -71.3 | 157.3 | -168.3 | 0 | 0 | 110.3 | Y92 K93 R99 F100 | Y92-E96 HydrophobicContact CD1-CB 4.48Å; Y92-E96 WeakPolarHBondContact CD1-OE2 3.27Å; K93-E96 HydrophobicContact CB-CG 4.5Å; K93-E96 PolarHBondContact N-OE2 2.61Å; K93-E96 VanDerWaalsContact N-OE2 3.08Å; K93-E96 WeakPolarHBondContact O-CB 3.4Å; K93-E96 PolarHBondContact O-N 3.2Å; E96-R99 PolarHBondContact O-N 2.87Å; E96-F100 WeakPolarHBondContact O-CB 3.48Å; E96-F100 PolarHBondContact O-N 3.17Å |
| 97 | L | 87.6 | Confident | 88.3 | Confident | 17 Ų | 17 | 57.6 Ų | 57.6 | 9% | 0.089 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60 | -50 | 170.6 | 171.2 | 55.3 | 0 | 0 | 0 | 111.4 | M84 L88 K93 W94 L95 R99 F100 S101 | M84-L97 HydrophobicContact CE-CD1 4.09Å; M84-L97 HydrophobicContact CG-CD1 3.13Å; M84-L97 HydrophobicContact CG-CD2 3.9Å; M84-L97 HydrophobicContact CG-CG 4.12Å; M84-L97 HydrophobicContact SD-CD1 3.41Å; M84-L97 WeakPolarHBondContact SD-CD1 3.32Å; L88-L97 HydrophobicContact CD1-CD1 3.73Å; L88-L97 HydrophobicContact CD2-CB 4.13Å; L88-L97 HydrophobicContact CD2-CD1 4.04Å; L88-L97 HydrophobicContact CG-CD1 4.43Å; K93-L97 PolarHBondContact O-N 3.27Å; W94-L97 WeakPolarHBondContact O-CB 3.27Å; W94-L97 PolarHBondContact O-N 2.91Å; L95-L97 VanDerWaalsContact C-N 3.32Å; L97-R99 VanDerWaalsContact C-N 3.28Å; L97-R99 PolarHBondContact O-N 3.44Å; L97-F100 WeakPolarHBondContact O-CB 3.39Å; L97-F100 PolarHBondContact O-N 3.15Å; L97-F100 VanDerWaalsContact O-N 3.17Å; L97-S101 PolarHBondContact O-N 2.92Å; L97-S101 PolarHBondContact O-OG 3.21Å |
| 98 | L | 91.7 | Very high | 88.8 | Confident | 84 Ų | 84 | 56.1 Ų | 56.1 | 44% | 0.44 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -58.1 | -43.3 | 179.5 | -175.9 | 69.9 | 0 | 0 | 0 | 111.2 | W94 L95 S101 V102 | W94-L98 HydrophobicContact CE3-CB 4.35Å; W94-L98 HydrophobicContact CH2-CD2 4.34Å; W94-L98 HydrophobicContact CZ3-CB 4.21Å; W94-L98 HydrophobicContact CZ3-CD2 3.82Å; W94-L98 PolarHBondContact O-N 3.46Å; L95-L98 PolarHBondContact O-N 3.38Å; L98-S101 PolarHBondContact O-N 2.93Å; L98-V102 HydrophobicContact CD1-CG2 4.21Å; L98-V102 HydrophobicContact CG-CG2 4.28Å; L98-V102 WeakPolarHBondContact O-CB 3.44Å; L98-V102 VanDerWaalsContact O-CG2 3.3Å; L98-V102 WeakPolarHBondContact O-CG2 3.43Å; L98-V102 PolarHBondContact O-N 3.45Å |
| 99 | R | 93 | Very high | 89.7 | Confident | 146 Ų | 146 | 56 Ų | 56 | 55% | 0.551 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -59.8 | -46.8 | 176.1 | -74 | 174 | -171.3 | 125.7 | 0 | 112.1 | L95 E96 L97 L103 | L95-R99 VanDerWaalsContact O-CG 3.27Å; L95-R99 WeakPolarHBondContact O-CG 3.41Å; L95-R99 PolarHBondContact O-N 2.91Å; E96-R99 PolarHBondContact O-N 2.87Å; L97-R99 VanDerWaalsContact C-N 3.28Å; L97-R99 PolarHBondContact O-N 3.44Å; R99-L103 WeakPolarHBondContact O-CB 3.46Å; R99-L103 PolarHBondContact O-N 3.35Å |
| 100 | F | 94 | Very high | 90.7 | Very high | 5 Ų | 5 | 55.8 Ų | 55.8 | 2% | 0.022 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59 | -49.1 | 175.8 | 176.3 | -110.2 | 0 | 0 | 0 | 111.2 | M84 E96 L97 L103 V104 L140 L147 A202 Y205 L206 | M84-F100 HydrophobicContact CE-CD1 3.81Å; M84-F100 HydrophobicContact CE-CE1 3.7Å; M84-F100 HydrophobicContact SD-CD1 4.12Å; M84-F100 HydrophobicContact SD-CE1 4.11Å; E96-F100 WeakPolarHBondContact O-CB 3.48Å; E96-F100 PolarHBondContact O-N 3.17Å; L97-F100 WeakPolarHBondContact O-CB 3.39Å; L97-F100 PolarHBondContact O-N 3.15Å; L97-F100 VanDerWaalsContact O-N 3.17Å; F100-L103 PolarHBondContact O-N 3.08Å; F100-V104 HydrophobicContact CD2-CG2 3.78Å; F100-V104 HydrophobicContact CE1-CG2 4.41Å; F100-V104 HydrophobicContact CE2-CG2 3.51Å; F100-V104 HydrophobicContact CG-CG2 4.38Å; F100-V104 HydrophobicContact CZ-CG2 3.86Å; F100-V104 WeakPolarHBondContact O-CB 3.41Å; F100-V104 WeakPolarHBondContact O-CG2 3.37Å; F100-V104 PolarHBondContact O-N 3.3Å; F100-L140 HydrophobicContact CD1-CD1 4.35Å; F100-L140 HydrophobicContact CE1-CD1 4.21Å; F100-L147 HydrophobicContact CE1-CD2 4.25Å; F100-L147 HydrophobicContact CZ-CB 4.44Å; F100-A202 HydrophobicContact CE2-CB 3.92Å; F100-A202 HydrophobicContact CZ-CB 3.85Å; F100-Y205 HydrophobicContact CB-CE1 4.27Å; F100-Y205 AromaticContact CD2-CD1 3.47Å; F100-Y205 HydrophobicContact CD2-CD1 3.47Å; F100-Y205 VanDerWaalsContact CD2-CD1 3.47Å; F100-Y205 AromaticContact CD2-CE1 3.59Å; F100-Y205 HydrophobicContact CD2-CE1 3.59Å; F100-Y205 HydrophobicContact CD2-CG 4.48Å; F100-Y205 AromaticContact CE2-CD1 3.95Å; F100-Y205 HydrophobicContact CE2-CD1 3.95Å; F100-Y205 HydrophobicContact CE2-CE1 4.45Å; F100-Y205 HydrophobicContact CG-CE1 4.42Å; F100-L206 HydrophobicContact CD2-CD2 4.26Å; F100-L206 HydrophobicContact CE2-CD1 4.1Å; F100-L206 HydrophobicContact CE2-CD2 4.02Å; F100-L206 HydrophobicContact CE2-CG 3.97Å; F100-L206 HydrophobicContact CZ-CD1 4.39Å |
| 101 | S | 94.5 | Very high | 91.7 | Very high | 25 Ų | 25 | 55.2 Ų | 55.2 | 18% | 0.175 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.1 | -48.4 | -179.3 | -65.6 | 0 | 0 | 0 | 0 | 113 | L97 L98 N105 | L97-S101 PolarHBondContact O-N 2.92Å; L97-S101 PolarHBondContact O-OG 3.21Å; L98-S101 PolarHBondContact O-N 2.93Å; S101-N105 VanDerWaalsContact O-CB 3.27Å; S101-N105 WeakPolarHBondContact O-CB 3.42Å; S101-N105 PolarHBondContact O-N 3.34Å |
| 102 | V | 95.4 | Very high | 92.6 | Very high | 81 Ų | 81 | 51.4 Ų | 51.4 | 49% | 0.491 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.2 | -47.9 | 178.1 | 171 | 0 | 0 | 0 | 0 | 110 | L98 F106 | L98-V102 HydrophobicContact CD1-CG2 4.21Å; L98-V102 HydrophobicContact CG-CG2 4.28Å; L98-V102 WeakPolarHBondContact O-CB 3.44Å; L98-V102 VanDerWaalsContact O-CG2 3.3Å; L98-V102 WeakPolarHBondContact O-CG2 3.43Å; L98-V102 PolarHBondContact O-N 3.45Å; V102-F106 WeakPolarHBondContact O-CB 3.4Å; V102-F106 PolarHBondContact O-N 3.01Å |
| 103 | L | 95.6 | Very high | 93.4 | Very high | 60 Ų | 60 | 49.6 Ų | 49.6 | 31% | 0.314 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.3 | -49.1 | -177.1 | -177.4 | 146.3 | 0 | 0 | 0 | 112.1 | R99 F100 S107 I201 Y205 | R99-L103 WeakPolarHBondContact O-CB 3.46Å; R99-L103 PolarHBondContact O-N 3.35Å; F100-L103 PolarHBondContact O-N 3.08Å; L103-S107 WeakPolarHBondContact O-CB 3.35Å; L103-S107 PolarHBondContact O-N 3.27Å; L103-S107 PolarHBondContact O-OG 3.46Å; L103-I201 HydrophobicContact CD2-CG2 4.12Å; L103-Y205 HydrophobicContact CD1-CD2 3.52Å; L103-Y205 HydrophobicContact CD1-CE2 3.74Å; L103-Y205 HydrophobicContact CD1-CG 4.5Å; L103-Y205 HydrophobicContact CD2-CD2 3.64Å; L103-Y205 HydrophobicContact CD2-CE2 4.45Å; L103-Y205 HydrophobicContact CD2-CG 3.82Å; L103-Y205 HydrophobicContact CG-CD2 4.18Å |
| 104 | V | 96.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.5 | -48.8 | -178.4 | 172.9 | 0 | 0 | 0 | 0 | 110.2 | F100 S108 L140 I201 A202 | F100-V104 HydrophobicContact CD2-CG2 3.78Å; F100-V104 HydrophobicContact CE1-CG2 4.41Å; F100-V104 HydrophobicContact CE2-CG2 3.51Å; F100-V104 HydrophobicContact CG-CG2 4.38Å; F100-V104 HydrophobicContact CZ-CG2 3.86Å; F100-V104 WeakPolarHBondContact O-CB 3.41Å; F100-V104 WeakPolarHBondContact O-CG2 3.37Å; F100-V104 PolarHBondContact O-N 3.3Å; V104-S108 WeakPolarHBondContact O-CB 3.42Å; V104-S108 PolarHBondContact O-N 3.3Å; V104-S108 PolarHBondContact O-OG 2.92Å; V104-L140 HydrophobicContact CB-CD1 4.23Å; V104-L140 HydrophobicContact CG1-CD1 4.32Å; V104-I201 HydrophobicContact CG2-CG2 4.49Å; V104-A202 HydrophobicContact CG1-CB 4.32Å; V104-A202 HydrophobicContact CG2-CB 3.86Å |
| 105 | N | 96.6 | Very high | 94.3 | Very high | 3 Ų | 3 | 47.5 Ų | 47.5 | 2% | 0.016 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -68.3 | -50.3 | -176.2 | -150.2 | 57.5 | 0 | 0 | 0 | 111.4 | S65 S101 S107 S108 S109 G136 | S65-N105 WeakPolarHBondContact CA-ND2 3.01Å; S65-N105 VanDerWaalsContact CB-ND2 3.29Å; S65-N105 WeakPolarHBondContact CB-ND2 3.28Å; S65-N105 PolarHBondContact OG-ND2 3.27Å; S101-N105 VanDerWaalsContact O-CB 3.27Å; S101-N105 WeakPolarHBondContact O-CB 3.42Å; S101-N105 PolarHBondContact O-N 3.34Å; N105-S107 PolarHBondContact O-N 3.37Å; N105-S108 PolarHBondContact O-N 2.92Å; N105-S109 VanDerWaalsContact O-CB 3.28Å; N105-S109 WeakPolarHBondContact O-CB 3.47Å; N105-S109 PolarHBondContact O-N 2.97Å; N105-S109 PolarHBondContact O-OG 2.88Å; N105-G136 PolarHBondContact ND2-O 3.13Å; N105-G136 PolarHBondContact OD1-O 3.29Å |
| 106 | F | 96.5 | Very high | 94.5 | Very high | 63 Ų | 63 | 44.3 Ų | 44.3 | 28% | 0.276 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -57.9 | -50.2 | 179.9 | 179.3 | -92.5 | 0 | 0 | 0 | 111.9 | L61 F62 V102 S108 L110 | L61-F106 HydrophobicContact CB-CD2 4.22Å; L61-F106 HydrophobicContact CB-CE2 3.77Å; L61-F106 HydrophobicContact CD1-CE2 4.07Å; L61-F106 HydrophobicContact CD1-CZ 4.32Å; L61-F106 HydrophobicContact CG-CE2 4.43Å; F62-F106 HydrophobicContact CE1-CD2 4.44Å; F62-F106 HydrophobicContact CE1-CE2 4.37Å; F62-F106 HydrophobicContact CZ-CE2 4.27Å; V102-F106 WeakPolarHBondContact O-CB 3.4Å; V102-F106 PolarHBondContact O-N 3.01Å; F106-S108 PolarHBondContact O-N 3.45Å; F106-L110 HydrophobicContact CE1-CD2 4.07Å; F106-L110 HydrophobicContact CZ-CD2 4.41Å; F106-L110 WeakPolarHBondContact O-CB 3.33Å; F106-L110 PolarHBondContact O-N 3.4Å |
| 107 | S | 96.2 | Very high | 94.8 | Very high | 43 Ų | 43 | 43.1 Ų | 43.1 | 30% | 0.301 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -67.8 | -37.6 | -176.3 | -50.8 | 0 | 0 | 0 | 0 | 111.7 | L103 N105 S111 | L103-S107 WeakPolarHBondContact O-CB 3.35Å; L103-S107 PolarHBondContact O-N 3.27Å; L103-S107 PolarHBondContact O-OG 3.46Å; N105-S107 PolarHBondContact O-N 3.37Å; S107-S111 VanDerWaalsContact O-CB 3.26Å; S107-S111 WeakPolarHBondContact O-CB 3.31Å; S107-S111 PolarHBondContact O-N 2.87Å |
| 108 | S | 97.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -71.2 | -46.1 | 179.1 | -52.8 | 0 | 0 | 0 | 0 | 111.3 | V104 N105 F106 L110 S111 V112 A139 G198 I201 | V104-S108 WeakPolarHBondContact O-CB 3.42Å; V104-S108 PolarHBondContact O-N 3.3Å; V104-S108 PolarHBondContact O-OG 2.92Å; N105-S108 PolarHBondContact O-N 2.92Å; F106-S108 PolarHBondContact O-N 3.45Å; S108-L110 VanDerWaalsContact C-N 3.33Å; S108-L110 PolarHBondContact O-N 3.06Å; S108-S111 PolarHBondContact O-N 3.09Å; S108-V112 WeakPolarHBondContact O-CG2 3.35Å; S108-V112 PolarHBondContact O-N 2.68Å; S108-A139 VanDerWaalsContact CB-CB 3.45Å; S108-G198 WeakPolarHBondContact OG-CA 3.43Å; S108-I201 VanDerWaalsContact CA-CD1 3.45Å; S108-I201 VanDerWaalsContact OG-CD1 3.28Å; S108-I201 WeakPolarHBondContact OG-CD1 3.21Å |
| 109 | S | 96.7 | Very high | 95.2 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.007 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.9 | -40.4 | 177.4 | -61.3 | 0 | 0 | 0 | 0 | 111.9 | N105 A113 | N105-S109 VanDerWaalsContact O-CB 3.28Å; N105-S109 WeakPolarHBondContact O-CB 3.47Å; N105-S109 PolarHBondContact O-N 2.97Å; N105-S109 PolarHBondContact O-OG 2.88Å; S109-A113 VanDerWaalsContact O-CB 3.26Å; S109-A113 WeakPolarHBondContact O-CB 3.36Å; S109-A113 PolarHBondContact O-N 3.19Å |
| 110 | L | 95.7 | Very high | 95.2 | Very high | 50 Ų | 50 | 37.3 Ų | 37.3 | 26% | 0.262 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -64.3 | -45.9 | 173.7 | -178.3 | 61.8 | 0 | 0 | 0 | 111.3 | L61 F106 S108 V112 A113 L114 | L61-L110 HydrophobicContact CD2-CD1 4.01Å; F106-L110 HydrophobicContact CE1-CD2 4.07Å; F106-L110 HydrophobicContact CZ-CD2 4.41Å; F106-L110 WeakPolarHBondContact O-CB 3.33Å; F106-L110 PolarHBondContact O-N 3.4Å; S108-L110 VanDerWaalsContact C-N 3.33Å; S108-L110 PolarHBondContact O-N 3.06Å; L110-V112 PolarHBondContact O-N 3.03Å; L110-A113 PolarHBondContact O-N 3.23Å; L110-L114 HydrophobicContact CD1-CD1 4.25Å; L110-L114 HydrophobicContact CD1-CG 4.22Å; L110-L114 HydrophobicContact CG-CD1 4.11Å; L110-L114 HydrophobicContact CG-CG 4.46Å; L110-L114 WeakPolarHBondContact O-CB 3.39Å; L110-L114 VanDerWaalsContact O-CG 3.3Å; L110-L114 WeakPolarHBondContact O-CG 3.12Å; L110-L114 PolarHBondContact O-N 3.21Å |
| 111 | S | 95.7 | Very high | 95.3 | Very high | 56 Ų | 56 | 43 Ų | 43 | 39% | 0.392 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -59.7 | -44.5 | 177.9 | -173.9 | 0 | 0 | 0 | 0 | 112.1 | S107 S108 L114 F115 | S107-S111 VanDerWaalsContact O-CB 3.26Å; S107-S111 WeakPolarHBondContact O-CB 3.31Å; S107-S111 PolarHBondContact O-N 2.87Å; S108-S111 PolarHBondContact O-N 3.09Å; S111-L114 PolarHBondContact O-N 2.91Å; S111-F115 WeakPolarHBondContact O-CB 3.23Å; S111-F115 PolarHBondContact O-N 2.72Å |
| 112 | V | 96.6 | Very high | 95.4 | Very high | 7 Ų | 7 | 47.6 Ų | 47.6 | 4% | 0.042 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -67.1 | -43.7 | 177.9 | 173 | 0 | 0 | 0 | 0 | 110.7 | S108 L110 L114 F115 V116 V134 I190 L194 T197 | S108-V112 WeakPolarHBondContact O-CG2 3.35Å; S108-V112 PolarHBondContact O-N 2.68Å; L110-V112 PolarHBondContact O-N 3.03Å; V112-L114 VanDerWaalsContact C-N 3.31Å; V112-L114 PolarHBondContact O-N 3.48Å; V112-F115 WeakPolarHBondContact O-CB 3.38Å; V112-F115 PolarHBondContact O-N 2.91Å; V112-F115 VanDerWaalsContact O-N 3.08Å; V112-V116 PolarHBondContact O-N 2.88Å; V112-V134 HydrophobicContact CG1-CG1 4.34Å; V112-V134 HydrophobicContact CG1-CG2 4.07Å; V112-I190 HydrophobicContact CG1-CD1 4.12Å; V112-I190 HydrophobicContact CG1-CG2 4.39Å; V112-L194 HydrophobicContact CB-CD2 4.2Å; V112-L194 HydrophobicContact CG2-CD2 3.93Å; V112-L194 HydrophobicContact CG2-CG 4.22Å; V112-T197 HydrophobicContact CG2-CG2 4.03Å |
| 113 | A | 95 | Very high | 95.3 | Very high | 2 Ų | 2 | 49.8 Ų | 49.8 | 2% | 0.017 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.2 | -40.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | I46 S109 L110 F115 V116 | I46-A113 HydrophobicContact CG2-CB 3.64Å; S109-A113 VanDerWaalsContact O-CB 3.26Å; S109-A113 WeakPolarHBondContact O-CB 3.36Å; S109-A113 PolarHBondContact O-N 3.19Å; L110-A113 PolarHBondContact O-N 3.23Å; A113-F115 VanDerWaalsContact C-N 3.29Å; A113-F115 PolarHBondContact O-N 3.24Å; A113-V116 PolarHBondContact O-N 3.17Å |
| 114 | L | 94.1 | Very high | 95.3 | Very high | 93 Ų | 93 | 57.3 Ų | 57.3 | 49% | 0.487 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -66.8 | -30.8 | 175.2 | -71.7 | 176.7 | 0 | 0 | 0 | 112.6 | L110 S111 V112 V116 F117 P118 | L110-L114 HydrophobicContact CD1-CD1 4.25Å; L110-L114 HydrophobicContact CD1-CG 4.22Å; L110-L114 HydrophobicContact CG-CD1 4.11Å; L110-L114 HydrophobicContact CG-CG 4.46Å; L110-L114 WeakPolarHBondContact O-CB 3.39Å; L110-L114 VanDerWaalsContact O-CG 3.3Å; L110-L114 WeakPolarHBondContact O-CG 3.12Å; L110-L114 PolarHBondContact O-N 3.21Å; S111-L114 PolarHBondContact O-N 2.91Å; V112-L114 VanDerWaalsContact C-N 3.31Å; V112-L114 PolarHBondContact O-N 3.48Å; L114-V116 VanDerWaalsContact C-N 3.3Å; L114-V116 PolarHBondContact O-N 2.82Å; L114-F117 HydrophobicContact CD2-CD2 4.38Å; L114-F117 HydrophobicContact CD2-CE2 4.21Å; L114-F117 WeakPolarHBondContact O-CD2 3.23Å; L114-F117 PolarHBondContact O-N 3.39Å; L114-P118 WeakPolarHBondContact O-CD 3.41Å |
| 115 | F | 94.1 | Very high | 95.2 | Very high | 128 Ų | 128 | 60.6 Ų | 60.6 | 56% | 0.561 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -72.4 | -20.9 | 177.8 | -164.6 | -110.5 | 0 | 0 | 0 | 113.4 | S111 V112 A113 F117 P118 I119 | S111-F115 WeakPolarHBondContact O-CB 3.23Å; S111-F115 PolarHBondContact O-N 2.72Å; V112-F115 WeakPolarHBondContact O-CB 3.38Å; V112-F115 PolarHBondContact O-N 2.91Å; V112-F115 VanDerWaalsContact O-N 3.08Å; A113-F115 VanDerWaalsContact C-N 3.29Å; A113-F115 PolarHBondContact O-N 3.24Å; F115-F117 VanDerWaalsContact C-N 3.29Å; F115-F117 PolarHBondContact O-N 3.36Å; F115-P118 HydrophobicContact CD2-CG 4.42Å; F115-P118 VanDerWaalsContact O-CD 3.26Å; F115-P118 WeakPolarHBondContact O-CD 3.26Å; F115-P118 VanDerWaalsContact O-CG 3.3Å; F115-P118 WeakPolarHBondContact O-CG 3.4Å; F115-I119 HydrophobicContact CD1-CD1 3.64Å; F115-I119 HydrophobicContact CD1-CG1 4.31Å; F115-I119 HydrophobicContact CE1-CD1 3.68Å; F115-I119 HydrophobicContact CE1-CG1 4.17Å; F115-I119 WeakPolarHBondContact O-CG1 3.33Å |
| 116 | V | 93.3 | Very high | 94.9 | Very high | 6 Ų | 6 | 68.6 Ų | 68.6 | 4% | 0.036 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -66.8 | -30.1 | 175.6 | 178.6 | 0 | 0 | 0 | 0 | 112 | V112 A113 L114 I119 S120 V128 L129 I190 | V112-V116 PolarHBondContact O-N 2.88Å; A113-V116 PolarHBondContact O-N 3.17Å; L114-V116 VanDerWaalsContact C-N 3.3Å; L114-V116 PolarHBondContact O-N 2.82Å; V116-I119 PolarHBondContact O-N 2.85Å; V116-S120 PolarHBondContact O-N 3.38Å; V116-V128 HydrophobicContact CG1-CG1 4.04Å; V116-L129 HydrophobicContact CG1-CD2 4.28Å; V116-I190 HydrophobicContact CG2-CD1 4.3Å |
| 117 | F | 93.7 | Very high | 94.8 | Very high | 36 Ų | 36 | 67.7 Ų | 67.7 | 16% | 0.158 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62 | -56.3 | 179.2 | -65.1 | -77.9 | 0 | 0 | 0 | 113.8 | G48 L52 L114 F115 I119 S120 L121 L129 | G48-F117 VanDerWaalsContact O-CZ 3.29Å; G48-F117 WeakPolarHBondContact O-CZ 3.28Å; L52-F117 HydrophobicContact CD1-CD1 4.08Å; L52-F117 HydrophobicContact CD1-CE1 3.28Å; L52-F117 HydrophobicContact CD1-CZ 3.75Å; L52-F117 HydrophobicContact CG-CE1 3.87Å; L52-F117 HydrophobicContact CG-CZ 3.84Å; L114-F117 HydrophobicContact CD2-CD2 4.38Å; L114-F117 HydrophobicContact CD2-CE2 4.21Å; L114-F117 WeakPolarHBondContact O-CD2 3.23Å; L114-F117 PolarHBondContact O-N 3.39Å; F115-F117 VanDerWaalsContact C-N 3.29Å; F115-F117 PolarHBondContact O-N 3.36Å; F117-I119 PolarHBondContact O-N 2.91Å; F117-S120 WeakPolarHBondContact O-CB 3.32Å; F117-S120 PolarHBondContact O-N 2.84Å; F117-S120 PolarHBondContact O-OG 3.02Å; F117-L121 PolarHBondContact O-N 3.45Å; F117-L121 VanDerWaalsContact O-N 3.09Å; F117-L129 HydrophobicContact CD1-CD2 3.53Å; F117-L129 HydrophobicContact CE1-CD2 3.82Å; F117-L129 HydrophobicContact CG-CD2 4.26Å |
| 118 | P | 95.1 | Very high | 94.7 | Very high | 54 Ų | 54 | 66.3 Ų | 66.3 | 35% | 0.351 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61 | -33.3 | 177.5 | 23.6 | -33.4 | 0 | 0 | 0 | 112.1 | L114 F115 S120 L121 I122 | L114-P118 WeakPolarHBondContact O-CD 3.41Å; F115-P118 HydrophobicContact CD2-CG 4.42Å; F115-P118 VanDerWaalsContact O-CD 3.26Å; F115-P118 WeakPolarHBondContact O-CD 3.26Å; F115-P118 VanDerWaalsContact O-CG 3.3Å; F115-P118 WeakPolarHBondContact O-CG 3.4Å; P118-S120 VanDerWaalsContact C-N 3.35Å; P118-S120 PolarHBondContact O-N 3.21Å; P118-L121 PolarHBondContact O-N 3.49Å; P118-I122 VanDerWaalsContact O-CG1 3.26Å; P118-I122 WeakPolarHBondContact O-CG1 3.44Å; P118-I122 PolarHBondContact O-N 3.02Å |
| 119 | I | 93.9 | Very high | 94.4 | Very high | 59 Ų | 59 | 67.6 Ų | 67.6 | 30% | 0.303 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.5 | -45.5 | 173.2 | -64.3 | 171.5 | 0 | 0 | 0 | 110.7 | F115 V116 F117 L121 I122 M123 V128 | F115-I119 HydrophobicContact CD1-CD1 3.64Å; F115-I119 HydrophobicContact CD1-CG1 4.31Å; F115-I119 HydrophobicContact CE1-CD1 3.68Å; F115-I119 HydrophobicContact CE1-CG1 4.17Å; F115-I119 WeakPolarHBondContact O-CG1 3.33Å; V116-I119 PolarHBondContact O-N 2.85Å; F117-I119 PolarHBondContact O-N 2.91Å; I119-L121 PolarHBondContact O-N 3.05Å; I119-I122 PolarHBondContact O-N 3.1Å; I119-M123 HydrophobicContact CG2-CG 4.18Å; I119-M123 WeakPolarHBondContact O-CB 3.4Å; I119-M123 WeakPolarHBondContact O-CG 3.41Å; I119-M123 PolarHBondContact O-N 3.47Å; I119-V128 HydrophobicContact CG2-CG1 4.15Å |
| 120 | S | 93.6 | Very high | 94.3 | Very high | 11 Ų | 11 | 71.6 Ų | 71.6 | 8% | 0.077 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.8 | -33.3 | 177.4 | 75.2 | 0 | 0 | 0 | 0 | 112.8 | V116 F117 P118 Y124 D125 L129 | V116-S120 PolarHBondContact O-N 3.38Å; F117-S120 WeakPolarHBondContact O-CB 3.32Å; F117-S120 PolarHBondContact O-N 2.84Å; F117-S120 PolarHBondContact O-OG 3.02Å; P118-S120 VanDerWaalsContact C-N 3.35Å; P118-S120 PolarHBondContact O-N 3.21Å; S120-Y124 PolarHBondContact O-N 3.23Å; S120-Y124 VanDerWaalsContact O-N 3.15Å; S120-D125 PolarHBondContact O-N 3.06Å; S120-L129 WeakPolarHBondContact OG-CD2 3.27Å |
| 121 | L | 95 | Very high | 94.2 | Very high | 125 Ų | 125 | 74 Ų | 74 | 65% | 0.654 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -71.6 | -43.3 | 175.6 | -64.6 | 177.2 | 0 | 0 | 0 | 111.6 | F117 P118 I119 Y124 | F117-L121 PolarHBondContact O-N 3.45Å; F117-L121 VanDerWaalsContact O-N 3.09Å; P118-L121 PolarHBondContact O-N 3.49Å; I119-L121 PolarHBondContact O-N 3.05Å; L121-Y124 PolarHBondContact O-N 2.88Å |
| 122 | I | 96.3 | Very high | 94.1 | Very high | 122 Ų | 122 | 76.8 Ų | 76.8 | 63% | 0.626 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -65.3 | -41 | 179 | -68.8 | 163.5 | 0 | 0 | 0 | 111.1 | P118 I119 Y124 | P118-I122 VanDerWaalsContact O-CG1 3.26Å; P118-I122 WeakPolarHBondContact O-CG1 3.44Å; P118-I122 PolarHBondContact O-N 3.02Å; I119-I122 PolarHBondContact O-N 3.1Å; I122-Y124 VanDerWaalsContact C-N 3.25Å; I122-Y124 WeakPolarHBondContact O-CD2 3.37Å; I122-Y124 PolarHBondContact O-N 2.78Å |
| 123 | M | 94.5 | Very high | 94 | Very high | 127 Ų | 127 | 78 Ų | 78 | 63% | 0.626 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -9.6 | 179 | -65.7 | -65.3 | 179.2 | 0 | 0 | 113.1 | I119 D125 | I119-M123 HydrophobicContact CG2-CG 4.18Å; I119-M123 WeakPolarHBondContact O-CB 3.4Å; I119-M123 WeakPolarHBondContact O-CG 3.41Å; I119-M123 PolarHBondContact O-N 3.47Å; M123-D125 HydrophobicContact CB-CB 4.4Å; M123-D125 PolarHBondContact O-N 3.48Å; M123-D125 VanDerWaalsContact O-N 3.1Å |
| 124 | Y | 94.2 | Very high | 94 | Very high | 217 Ų | 217 | 78 Ų | 78 | 85% | 0.851 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 26.6 | -171.4 | -63.4 | -85.7 | 0 | 0 | 0 | 114 | S120 L121 I122 | S120-Y124 PolarHBondContact O-N 3.23Å; S120-Y124 VanDerWaalsContact O-N 3.15Å; L121-Y124 PolarHBondContact O-N 2.88Å; I122-Y124 VanDerWaalsContact C-N 3.25Å; I122-Y124 WeakPolarHBondContact O-CD2 3.37Å; I122-Y124 PolarHBondContact O-N 2.78Å |
| 125 | D | 94.1 | Very high | 94.1 | Very high | 70 Ų | 70 | 74 Ų | 74 | 37% | 0.374 | 36% | 0.358 | S | S | . | . | trans | -122.7 | 111.1 | -177.3 | -176.1 | 7 | 0 | 0 | 0 | 110.6 | S120 M123 S127 V128 | S120-D125 PolarHBondContact O-N 3.06Å; M123-D125 HydrophobicContact CB-CB 4.4Å; M123-D125 PolarHBondContact O-N 3.48Å; M123-D125 VanDerWaalsContact O-N 3.1Å; D125-S127 PolarHBondContact O-N 3.5Å; D125-S127 WeakPolarHBondContact OD1-CB 3.38Å; D125-S127 PolarHBondContact OD1-N 3.01Å; D125-S127 PolarHBondContact OD1-OG 3.23Å; D125-S127 PolarHBondContact OD2-OG 3.08Å; D125-V128 HydrophobicContact CB-CG2 4.08Å; D125-V128 WeakPolarHBondContact O-CB 3.08Å; D125-V128 PolarHBondContact O-N 2.93Å | ||
| 126 | K | 91.3 | Very high | 94.2 | Very high | 170 Ų | 170 | 67.9 Ų | 67.9 | 74% | 0.739 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -20.6 | 177.2 | -59.1 | -170.5 | -174 | 78.8 | 0 | 112.2 | V128 L129 | K126-V128 PolarHBondContact O-N 3.34Å; K126-L129 WeakPolarHBondContact O-CB 3.37Å; K126-L129 PolarHBondContact O-N 3.19Å |
| 127 | S | 93.7 | Very high | 94.4 | Very high | 45 Ų | 45 | 68.2 Ų | 68.2 | 32% | 0.315 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -35.4 | 179.2 | 89.3 | 0 | 0 | 0 | 0 | 110.9 | D125 L129 F130 L131 | D125-S127 PolarHBondContact O-N 3.5Å; D125-S127 WeakPolarHBondContact OD1-CB 3.38Å; D125-S127 PolarHBondContact OD1-N 3.01Å; D125-S127 PolarHBondContact OD1-OG 3.23Å; D125-S127 PolarHBondContact OD2-OG 3.08Å; S127-L129 PolarHBondContact O-N 2.67Å; S127-F130 WeakPolarHBondContact O-CA 3.35Å; S127-F130 PolarHBondContact O-N 3.26Å; S127-L131 WeakPolarHBondContact O-CD1 3.49Å; S127-L131 PolarHBondContact O-N 3.14Å; S127-L131 VanDerWaalsContact O-N 3.13Å |
| 128 | V | 93.7 | Very high | 94.6 | Very high | 13 Ų | 13 | 66.5 Ų | 66.5 | 8% | 0.079 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -50.1 | -35.8 | 176.6 | 172.1 | 0 | 0 | 0 | 0 | 112.3 | V116 I119 D125 K126 F130 L131 Y132 | V116-V128 HydrophobicContact CG1-CG1 4.04Å; I119-V128 HydrophobicContact CG2-CG1 4.15Å; D125-V128 HydrophobicContact CB-CG2 4.08Å; D125-V128 WeakPolarHBondContact O-CB 3.08Å; D125-V128 PolarHBondContact O-N 2.93Å; K126-V128 PolarHBondContact O-N 3.34Å; V128-F130 PolarHBondContact O-N 3.39Å; V128-L131 PolarHBondContact O-N 3.05Å; V128-Y132 HydrophobicContact CB-CE2 4.47Å; V128-Y132 HydrophobicContact CG1-CD2 4Å; V128-Y132 HydrophobicContact CG1-CE2 3.93Å; V128-Y132 WeakPolarHBondContact O-CD2 3.49Å |
| 129 | L | 93.2 | Very high | 94.7 | Very high | 28 Ų | 28 | 64 Ų | 64 | 15% | 0.147 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.9 | -22.8 | 178.4 | -65 | 175.9 | 0 | 0 | 0 | 113.3 | I47 G48 G49 V116 F117 S120 K126 S127 | I47-L129 WeakPolarHBondContact CG2-O 3.26Å; G48-L129 PolarHBondContact N-O 3.09Å; G49-L129 PolarHBondContact N-O 2.78Å; V116-L129 HydrophobicContact CG1-CD2 4.28Å; F117-L129 HydrophobicContact CD1-CD2 3.53Å; F117-L129 HydrophobicContact CE1-CD2 3.82Å; F117-L129 HydrophobicContact CG-CD2 4.26Å; S120-L129 WeakPolarHBondContact OG-CD2 3.27Å; K126-L129 WeakPolarHBondContact O-CB 3.37Å; K126-L129 PolarHBondContact O-N 3.19Å; S127-L129 PolarHBondContact O-N 2.67Å |
| 130 | F | 93.9 | Very high | 94.9 | Very high | 84 Ų | 84 | 61.4 Ų | 61.4 | 37% | 0.368 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -109.9 | -14 | -175.8 | -60 | -81 | 0 | 0 | 0 | 113.8 | I47 Y50 S127 V128 | I47-F130 HydrophobicContact CG2-CB 4.44Å; I47-F130 HydrophobicContact CG2-CD1 4.22Å; Y50-F130 HydrophobicContact CD1-CD1 4.21Å; Y50-F130 AromaticContact CD1-CE1 3.78Å; Y50-F130 HydrophobicContact CD1-CE1 3.78Å; Y50-F130 AromaticContact CE1-CD1 3.84Å; Y50-F130 HydrophobicContact CE1-CD1 3.84Å; Y50-F130 AromaticContact CE1-CE1 3.61Å; Y50-F130 HydrophobicContact CE1-CE1 3.61Å; Y50-F130 HydrophobicContact CE2-CD1 4.19Å; Y50-F130 HydrophobicContact CG-CE1 4.41Å; Y50-F130 AromaticContact CZ-CD1 3.81Å; S127-F130 WeakPolarHBondContact O-CA 3.35Å; S127-F130 PolarHBondContact O-N 3.26Å; V128-F130 PolarHBondContact O-N 3.39Å |
| 131 | L | 93.3 | Very high | 95.1 | Very high | 101 Ų | 101 | 61.7 Ų | 61.7 | 53% | 0.529 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -84.5 | -25.3 | -173.7 | -96.5 | 74.1 | 0 | 0 | 0 | 114.4 | S127 V128 P133 | S127-L131 WeakPolarHBondContact O-CD1 3.49Å; S127-L131 PolarHBondContact O-N 3.14Å; S127-L131 VanDerWaalsContact O-N 3.13Å; V128-L131 PolarHBondContact O-N 3.05Å; L131-P133 WeakPolarHBondContact O-CD 3.46Å |
| 132 | Y | 93.1 | Very high | 95.2 | Very high | 114 Ų | 114 | 55.7 Ų | 55.7 | 45% | 0.447 | 27% | 0.265 | S | S | . | . | trans | -113.6 | 88.3 | -167.9 | -63.8 | -67.8 | 0 | 0 | 0 | 112.3 | V128 I190 | V128-Y132 HydrophobicContact CB-CE2 4.47Å; V128-Y132 HydrophobicContact CG1-CD2 4Å; V128-Y132 HydrophobicContact CG1-CE2 3.93Å; V128-Y132 WeakPolarHBondContact O-CD2 3.49Å; Y132-I190 HydrophobicContact CD1-CG1 4.21Å; Y132-I190 HydrophobicContact CG-CD1 4.47Å; Y132-I190 HydrophobicContact CG-CG1 4.34Å | ||
| 133 | P | 94.8 | Very high | 95.3 | Very high | 33 Ų | 33 | 49.9 Ų | 49.9 | 21% | 0.214 | 24% | 0.235 | C | C | . | . | trans | -71.6 | 132.1 | 176.8 | 29.1 | -34.2 | 0 | 0 | 0 | 111.5 | C45 I47 F69 L131 | C45-P133 HydrophobicContact CB-CB 3.68Å; I47-P133 HydrophobicContact CG1-CB 4.18Å; F69-P133 HydrophobicContact CE1-CB 4.49Å; F69-P133 HydrophobicContact CE1-CG 3.95Å; F69-P133 HydrophobicContact CZ-CG 4.21Å; L131-P133 WeakPolarHBondContact O-CD 3.46Å | ||
| 134 | V | 96.3 | Very high | 95.3 | Very high | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.012 | 21% | 0.207 | C | C | . | . | B | Isolated β-bridge | trans | -106.4 | 111 | 176.7 | -174.2 | 0 | 0 | 0 | 0 | 108.7 | I46 S64 V112 I190 L194 | I46-V134 HydrophobicContact CB-CB 4.19Å; I46-V134 PolarHBondContact N-O 3.33Å; I46-V134 PolarHBondContact O-N 3.48Å; S64-V134 WeakPolarHBondContact CB-O 3.33Å; V112-V134 HydrophobicContact CG1-CG1 4.34Å; V112-V134 HydrophobicContact CG1-CG2 4.07Å; V134-I190 HydrophobicContact CB-CG2 4.32Å; V134-I190 HydrophobicContact CG1-CG2 4.35Å; V134-I190 HydrophobicContact CG2-CD1 4.4Å; V134-I190 HydrophobicContact CG2-CG2 3.88Å; V134-L194 HydrophobicContact CG1-CD1 3.94Å; V134-L194 HydrophobicContact CG1-CD2 3.78Å; V134-L194 HydrophobicContact CG1-CG 4.17Å |
| 135 | C | 95.9 | Very high | 95.4 | Very high | 8 Ų | 8 | 34.4 Ų | 34.4 | 5% | 0.054 | 17% | 0.171 | C | C | . | . | trans | -159.6 | 169.8 | 178.8 | 40.3 | 0 | 0 | 0 | 0 | 111.7 | C45 S64 Y67 | C45-C135 HydrophobicContact CB-CB 3.68Å; C45-C135 WeakPolarHBondContact CB-SG 3.37Å; C45-C135 WeakPolarHBondContact SG-CB 3.49Å; C45-C135 CovalentContact SG-SG 2.06Å; C45-C135 PolarHBondContact SG-SG 3.41Å; S64-C135 WeakPolarHBondContact O-CA 3.5Å; S64-C135 WeakPolarHBondContact O-CB 3.36Å; Y67-C135 HydrophobicContact CD1-CB 4.41Å; Y67-C135 WeakPolarHBondContact O-CB 3.4Å | ||
| 136 | G | 96.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.153 | C | C | . | . | S | Bend | trans | 92.8 | -174 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | S64 Y67 N68 D77 N105 | S64-G136 PolarHBondContact O-N 3.45Å; Y67-G136 PolarHBondContact O-N 3.37Å; Y67-G136 VanDerWaalsContact O-N 3.16Å; N68-G136 WeakPolarHBondContact ND2-CA 3.27Å; N68-G136 WeakPolarHBondContact OD1-CA 3.35Å; D77-G136 WeakPolarHBondContact OD2-CA 3.36Å; N105-G136 PolarHBondContact ND2-O 3.13Å; N105-G136 PolarHBondContact OD1-O 3.29Å |
| 137 | L | 97.1 | Very high | 95.5 | Very high | 13 Ų | 13 | 23.1 Ų | 23.1 | 7% | 0.068 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -110.1 | 18.5 | -178 | -61.1 | 177.4 | 0 | 0 | 0 | 112.5 | S65 D77 T80 V81 A139 L140 L141 | S65-L137 WeakPolarHBondContact O-CD2 3.36Å; S65-L137 WeakPolarHBondContact O-CG 3.49Å; D77-L137 HydrophobicContact CB-CB 4.29Å; D77-L137 HydrophobicContact CB-CD1 4.32Å; D77-L137 VanDerWaalsContact CG-N 3.28Å; D77-L137 WeakPolarHBondContact OD1-CA 3.32Å; D77-L137 WeakPolarHBondContact OD1-CB 3.38Å; D77-L137 PolarHBondContact OD1-N 2.85Å; D77-L137 WeakPolarHBondContact OD2-CB 3.47Å; D77-L137 WeakPolarHBondContact OD2-CG 3.42Å; D77-L137 PolarHBondContact OD2-N 3.48Å; T80-L137 HydrophobicContact CG2-CB 4.46Å; V81-L137 HydrophobicContact CG2-CD1 3.54Å; L137-A139 PolarHBondContact O-N 3.02Å; L137-L140 HydrophobicContact CB-CB 4.16Å; L137-L140 HydrophobicContact CD2-CD2 4.25Å; L137-L140 CarbonylContact O-C 3.5Å; L137-L140 WeakPolarHBondContact O-CA 3.2Å; L137-L140 VanDerWaalsContact O-CB 3.27Å; L137-L140 WeakPolarHBondContact O-CB 3.38Å; L137-L140 PolarHBondContact O-N 2.93Å; L137-L141 PolarHBondContact O-N 3.46Å |
| 138 | V | 97.2 | Very high | 95.3 | Very high | 1 Ų | 1 | 21.2 Ų | 21.2 | 1% | 0.006 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -58.3 | -36.7 | 178.6 | 178.4 | 0 | 0 | 0 | 0 | 112.1 | L73 L140 L141 G142 F178 S191 L194 F195 | L73-V138 HydrophobicContact CD2-CG2 3.91Å; V138-L140 VanDerWaalsContact C-N 3.31Å; V138-L140 PolarHBondContact O-N 3.45Å; V138-L141 WeakPolarHBondContact O-CB 3.3Å; V138-L141 PolarHBondContact O-N 3.18Å; V138-G142 PolarHBondContact O-N 3.17Å; V138-G142 VanDerWaalsContact O-N 3.14Å; V138-F178 HydrophobicContact CG1-CE1 3.78Å; V138-F178 HydrophobicContact CG1-CZ 4.17Å; V138-S191 WeakPolarHBondContact CG1-O 3.25Å; V138-L194 HydrophobicContact CB-CB 4.38Å; V138-L194 HydrophobicContact CG1-CB 4.36Å; V138-F195 HydrophobicContact CG1-CB 3.94Å; V138-F195 HydrophobicContact CG1-CD2 4.32Å |
| 139 | A | 97.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -64 | -40.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | S108 L137 L141 G142 G143 L194 G198 | S108-A139 VanDerWaalsContact CB-CB 3.45Å; L137-A139 PolarHBondContact O-N 3.02Å; A139-L141 VanDerWaalsContact C-N 3.31Å; A139-L141 PolarHBondContact O-N 3.47Å; A139-G142 PolarHBondContact O-N 3.41Å; A139-G143 PolarHBondContact O-N 3.32Å; A139-L194 VanDerWaalsContact CA-O 3.26Å; A139-L194 WeakPolarHBondContact CA-O 3.27Å; A139-L194 HydrophobicContact CB-CB 4.2Å; A139-L194 HydrophobicContact CB-CD2 4.09Å; A139-L194 WeakPolarHBondContact CB-O 3.41Å; A139-G198 WeakPolarHBondContact O-CA 3.35Å |
| 140 | L | 97.3 | Very high | 95 | Very high | 6 Ų | 6 | 20.8 Ų | 20.8 | 3% | 0.031 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -65.1 | -34.8 | 174.6 | -169.8 | 60.8 | 0 | 0 | 0 | 112.1 | T80 M84 F100 V104 L137 V138 G142 G143 V144 | T80-L140 HydrophobicContact CG2-CB 4.01Å; T80-L140 HydrophobicContact CG2-CD2 4.16Å; T80-L140 HydrophobicContact CG2-CG 3.92Å; M84-L140 HydrophobicContact CE-CD1 3.27Å; M84-L140 HydrophobicContact CE-CD2 3.75Å; M84-L140 HydrophobicContact CE-CG 3.41Å; M84-L140 VanDerWaalsContact CE-CG 3.41Å; F100-L140 HydrophobicContact CD1-CD1 4.35Å; F100-L140 HydrophobicContact CE1-CD1 4.21Å; V104-L140 HydrophobicContact CB-CD1 4.23Å; V104-L140 HydrophobicContact CG1-CD1 4.32Å; L137-L140 HydrophobicContact CB-CB 4.16Å; L137-L140 HydrophobicContact CD2-CD2 4.25Å; L137-L140 CarbonylContact O-C 3.5Å; L137-L140 WeakPolarHBondContact O-CA 3.2Å; L137-L140 VanDerWaalsContact O-CB 3.27Å; L137-L140 WeakPolarHBondContact O-CB 3.38Å; L137-L140 PolarHBondContact O-N 2.93Å; V138-L140 VanDerWaalsContact C-N 3.31Å; V138-L140 PolarHBondContact O-N 3.45Å; L140-G142 VanDerWaalsContact C-N 3.32Å; L140-G142 PolarHBondContact O-N 2.93Å; L140-G143 CarbonylContact O-C 3.5Å; L140-G143 WeakPolarHBondContact O-CA 3.36Å; L140-G143 PolarHBondContact O-N 2.89Å; L140-V144 WeakPolarHBondContact O-CG2 3.38Å; L140-V144 PolarHBondContact O-N 3.38Å |
| 141 | L | 97.6 | Very high | 94.6 | Very high | 16 Ų | 16 | 19.6 Ų | 19.6 | 8% | 0.084 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -59.5 | -44.5 | 172.5 | -173.8 | 59.5 | 0 | 0 | 0 | 111.2 | L76 T80 L83 L137 V138 A139 G143 V144 T145 F178 F195 | L76-L141 HydrophobicContact CD2-CD2 3.61Å; L76-L141 HydrophobicContact CG-CD2 4.09Å; T80-L141 HydrophobicContact CG2-CB 4.12Å; T80-L141 HydrophobicContact CG2-CD1 4.5Å; T80-L141 WeakPolarHBondContact OG1-CB 3.48Å; T80-L141 WeakPolarHBondContact OG1-CD1 3.39Å; L83-L141 HydrophobicContact CD1-CD1 4.4Å; L137-L141 PolarHBondContact O-N 3.46Å; V138-L141 WeakPolarHBondContact O-CB 3.3Å; V138-L141 PolarHBondContact O-N 3.18Å; A139-L141 VanDerWaalsContact C-N 3.31Å; A139-L141 PolarHBondContact O-N 3.47Å; L141-G143 VanDerWaalsContact C-N 3.29Å; L141-G143 PolarHBondContact O-N 3.3Å; L141-V144 WeakPolarHBondContact O-CB 3.11Å; L141-V144 PolarHBondContact O-N 3.26Å; L141-T145 VanDerWaalsContact O-CG2 3.26Å; L141-T145 WeakPolarHBondContact O-CG2 3.49Å; L141-T145 PolarHBondContact O-N 3.29Å; L141-T145 VanDerWaalsContact O-N 3.15Å; L141-F178 HydrophobicContact CD2-CE2 4.27Å; L141-F178 HydrophobicContact CD2-CZ 4.19Å; L141-F195 HydrophobicContact CB-CD2 4.45Å; L141-F195 HydrophobicContact CB-CE2 4.33Å; L141-F195 HydrophobicContact CD2-CE2 4.26Å; L141-F195 HydrophobicContact CG-CE2 4Å |
| 142 | G | 97.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -54.8 | -46.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | V138 A139 L140 V144 T145 V146 I199 | V138-G142 PolarHBondContact O-N 3.17Å; V138-G142 VanDerWaalsContact O-N 3.14Å; A139-G142 PolarHBondContact O-N 3.41Å; L140-G142 VanDerWaalsContact C-N 3.32Å; L140-G142 PolarHBondContact O-N 2.93Å; G142-V144 PolarHBondContact O-N 2.99Å; G142-T145 WeakPolarHBondContact O-CB 3.3Å; G142-T145 PolarHBondContact O-N 3.02Å; G142-T145 PolarHBondContact O-OG1 2.93Å; G142-V146 PolarHBondContact O-N 2.72Å; G142-I199 WeakPolarHBondContact O-CG1 3.47Å |
| 143 | G | 97.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -62.8 | -38.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | A139 L140 L141 T145 V146 L147 | A139-G143 PolarHBondContact O-N 3.32Å; L140-G143 CarbonylContact O-C 3.5Å; L140-G143 WeakPolarHBondContact O-CA 3.36Å; L140-G143 PolarHBondContact O-N 2.89Å; L141-G143 VanDerWaalsContact C-N 3.29Å; L141-G143 PolarHBondContact O-N 3.3Å; G143-T145 PolarHBondContact O-N 2.69Å; G143-V146 PolarHBondContact O-N 3.41Å; G143-L147 WeakPolarHBondContact O-CB 3.31Å; G143-L147 PolarHBondContact O-N 2.9Å |
| 144 | V | 95.5 | Very high | 92.7 | Very high | 5 Ų | 5 | 18 Ų | 18 | 3% | 0.03 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -59.2 | -36.3 | 174.3 | 167.6 | 0 | 0 | 0 | 0 | 110.9 | T80 L83 M84 L87 L140 L141 G142 L147 G148 | T80-V144 HydrophobicContact CG2-CG2 3.99Å; L83-V144 HydrophobicContact CB-CG1 3.86Å; L83-V144 HydrophobicContact CD1-CG1 4.41Å; M84-V144 HydrophobicContact CB-CG2 4.02Å; M84-V144 HydrophobicContact CE-CG2 3.25Å; M84-V144 HydrophobicContact CG-CG2 4.43Å; M84-V144 HydrophobicContact SD-CG2 3.64Å; L87-V144 HydrophobicContact CD1-CG1 3.79Å; L140-V144 WeakPolarHBondContact O-CG2 3.38Å; L140-V144 PolarHBondContact O-N 3.38Å; L141-V144 WeakPolarHBondContact O-CB 3.11Å; L141-V144 PolarHBondContact O-N 3.26Å; G142-V144 PolarHBondContact O-N 2.99Å; V144-L147 PolarHBondContact O-N 3.43Å; V144-G148 PolarHBondContact O-N 3.33Å |
| 145 | T | 95.5 | Very high | 92 | Very high | 14 Ų | 14 | 23.5 Ų | 23.5 | 9% | 0.086 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -65.1 | -40.3 | 177.8 | 74.9 | 0 | 0 | 0 | 0 | 112.4 | L141 G142 G143 G148 R149 I170 F195 | L141-T145 VanDerWaalsContact O-CG2 3.26Å; L141-T145 WeakPolarHBondContact O-CG2 3.49Å; L141-T145 PolarHBondContact O-N 3.29Å; L141-T145 VanDerWaalsContact O-N 3.15Å; G142-T145 WeakPolarHBondContact O-CB 3.3Å; G142-T145 PolarHBondContact O-N 3.02Å; G142-T145 PolarHBondContact O-OG1 2.93Å; G143-T145 PolarHBondContact O-N 2.69Å; T145-G148 PolarHBondContact O-N 3.25Å; T145-R149 PolarHBondContact O-N 3.48Å; T145-I170 HydrophobicContact CG2-CG2 4.33Å; T145-F195 HydrophobicContact CG2-CE2 4.33Å; T145-F195 HydrophobicContact CG2-CZ 3.97Å |
| 146 | V | 95 | Very high | 91.2 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -69 | -41.1 | 177.2 | -178.7 | 0 | 0 | 0 | 0 | 110.7 | G142 G143 R149 Q150 P171 I199 A202 W203 L206 F224 F229 | G142-V146 PolarHBondContact O-N 2.72Å; G143-V146 PolarHBondContact O-N 3.41Å; V146-R149 WeakPolarHBondContact O-CB 3.29Å; V146-R149 PolarHBondContact O-N 3.26Å; V146-Q150 PolarHBondContact O-N 2.79Å; V146-P171 HydrophobicContact CG2-CB 4.27Å; V146-P171 HydrophobicContact CG2-CG 4.18Å; V146-I199 HydrophobicContact CG2-CB 4.15Å; V146-I199 HydrophobicContact CG2-CG1 4.25Å; V146-I199 HydrophobicContact CG2-CG2 3.75Å; V146-A202 HydrophobicContact CB-CB 4.32Å; V146-A202 HydrophobicContact CG2-CB 4.45Å; V146-W203 HydrophobicContact CG1-CB 4Å; V146-L206 HydrophobicContact CG1-CD1 3.94Å; V146-F224 HydrophobicContact CG1-CE2 4.24Å; V146-F224 HydrophobicContact CG1-CZ 3.87Å; V146-F229 HydrophobicContact CG1-CE2 4.46Å; V146-F229 HydrophobicContact CG1-CZ 3.86Å; V146-F229 HydrophobicContact CG2-CE2 4.08Å; V146-F229 HydrophobicContact CG2-CZ 4.28Å |
| 147 | L | 92.4 | Very high | 90.4 | Very high | 2 Ų | 2 | 29.7 Ų | 29.7 | 1% | 0.01 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -65.2 | -42 | 175.9 | -175.8 | 68 | 0 | 0 | 0 | 111.9 | M84 L88 F100 G143 V144 R149 Q150 M151 L206 | M84-L147 HydrophobicContact SD-CD2 3.9Å; L88-L147 HydrophobicContact CD1-CD2 3.13Å; L88-L147 HydrophobicContact CD1-CG 4.48Å; L88-L147 HydrophobicContact CD2-CD2 3.87Å; L88-L147 HydrophobicContact CG-CD2 3.6Å; F100-L147 HydrophobicContact CE1-CD2 4.25Å; F100-L147 HydrophobicContact CZ-CB 4.44Å; G143-L147 WeakPolarHBondContact O-CB 3.31Å; G143-L147 PolarHBondContact O-N 2.9Å; V144-L147 PolarHBondContact O-N 3.43Å; L147-R149 VanDerWaalsContact C-N 3.27Å; L147-R149 PolarHBondContact O-N 2.94Å; L147-Q150 WeakPolarHBondContact O-CB 3.43Å; L147-Q150 PolarHBondContact O-N 3.48Å; L147-M151 HydrophobicContact CD1-CE 4.3Å; L147-M151 HydrophobicContact CD1-CG 4.48Å; L147-M151 HydrophobicContact CG-CG 4.47Å; L147-M151 WeakPolarHBondContact O-CG 3.47Å; L147-M151 PolarHBondContact O-N 3.09Å; L147-L206 HydrophobicContact CB-CD1 4.34Å; L147-L206 HydrophobicContact CD1-CD1 4.15Å; L147-L206 HydrophobicContact CD1-CD2 4.18Å |
| 148 | G | 90.5 | Very high | 89.6 | Confident | 6 Ų | 6 | 33.2 Ų | 33.2 | 6% | 0.062 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -58.7 | -40.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | V144 T145 M151 M152 | V144-G148 PolarHBondContact O-N 3.33Å; T145-G148 PolarHBondContact O-N 3.25Å; G148-M151 PolarHBondContact O-N 3.25Å; G148-M152 WeakPolarHBondContact O-CB 3.33Å; G148-M152 PolarHBondContact O-N 2.94Å |
| 149 | R | 90.1 | Very high | 88.7 | Confident | 3 Ų | 3 | 38.2 Ų | 38.2 | 1% | 0.011 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57.5 | -51.3 | 168.9 | 160 | -174.9 | -178.8 | 111.9 | -2.4 | 111.3 | T145 V146 L147 M151 M152 S153 K168 P171 S223 F224 T225 G228 F229 | T145-R149 PolarHBondContact O-N 3.48Å; V146-R149 WeakPolarHBondContact O-CB 3.29Å; V146-R149 PolarHBondContact O-N 3.26Å; L147-R149 VanDerWaalsContact C-N 3.27Å; L147-R149 PolarHBondContact O-N 2.94Å; R149-M151 VanDerWaalsContact C-N 3.25Å; R149-M151 PolarHBondContact O-N 3.03Å; R149-M152 PolarHBondContact O-N 3.33Å; R149-S153 VanDerWaalsContact O-CA 3.23Å; R149-S153 WeakPolarHBondContact O-CA 3.42Å; R149-S153 WeakPolarHBondContact O-CB 3.42Å; R149-S153 PolarHBondContact O-N 2.95Å; R149-K168 PolarHBondContact NH1-O 2.89Å; R149-P171 HydrophobicContact CB-CG 4.14Å; R149-S223 PolarHBondContact NH2-O 2.82Å; R149-F224 HydrophobicContact CG-CE2 4.34Å; R149-T225 PolarHBondContact NH2-O 2.79Å; R149-G228 PolarHBondContact NH1-O 3.22Å; R149-G228 PolarHBondContact NH2-O 3.47Å; R149-F229 VanDerWaalsContact CD-CD1 3.48Å; R149-F229 VanDerWaalsContact NE-CD1 3.35Å; R149-F229 VanDerWaalsContact NH1-N 3.2Å |
| 150 | Q | 89.9 | Confident | 87.6 | Confident | 29 Ų | 29 | 43.2 Ų | 43.2 | 14% | 0.136 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.7 | -40 | -176.8 | -165.1 | -175.4 | 26.1 | 0 | 0 | 111.5 | V146 L147 Q210 D219 F224 | V146-Q150 PolarHBondContact O-N 2.79Å; L147-Q150 WeakPolarHBondContact O-CB 3.43Å; L147-Q150 PolarHBondContact O-N 3.48Å; Q150-Q210 VanDerWaalsContact NE2-OE1 3.09Å; Q150-D219 PolarHBondContact NE2-OD2 2.99Å; Q150-D219 VanDerWaalsContact NE2-OD2 3.11Å; Q150-F224 HydrophobicContact CB-CD2 4.4Å; Q150-F224 HydrophobicContact CB-CE2 3.86Å; Q150-F224 HydrophobicContact CB-CZ 4.35Å; Q150-F224 HydrophobicContact CG-CD2 4.35Å; Q150-F224 HydrophobicContact CG-CE2 4.11Å; Q150-F224 HydrophobicContact CG-CZ 4.41Å |
| 151 | M | 86 | Confident | 86.6 | Confident | 59 Ų | 59 | 49.3 Ų | 49.3 | 29% | 0.291 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -81.2 | -28.3 | -176.4 | -62.8 | -59.8 | 107.4 | 0 | 0 | 114.4 | P91 Y92 L147 G148 R149 | P91-M151 HydrophobicContact CG-SD 3.88Å; Y92-M151 HydrophobicContact CE2-CE 3.7Å; Y92-M151 HydrophobicContact CE2-SD 3.75Å; Y92-M151 VanDerWaalsContact OH-CE 3.25Å; Y92-M151 WeakPolarHBondContact OH-CE 3.38Å; L147-M151 HydrophobicContact CD1-CE 4.3Å; L147-M151 HydrophobicContact CD1-CG 4.48Å; L147-M151 HydrophobicContact CG-CG 4.47Å; L147-M151 WeakPolarHBondContact O-CG 3.47Å; L147-M151 PolarHBondContact O-N 3.09Å; G148-M151 PolarHBondContact O-N 3.25Å; R149-M151 VanDerWaalsContact C-N 3.25Å; R149-M151 PolarHBondContact O-N 3.03Å |
| 152 | M | 83.2 | Confident | 85.5 | Confident | 53 Ų | 53 | 57 Ų | 57 | 26% | 0.261 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -128.2 | 14.8 | -169 | -58.5 | -171.8 | -176.2 | 0 | 0 | 113.8 | L87 G148 R149 D154 K155 Y167 | L87-M152 HydrophobicContact CD2-CE 3.44Å; L87-M152 VanDerWaalsContact CD2-CE 3.44Å; L87-M152 HydrophobicContact CD2-SD 4.24Å; G148-M152 WeakPolarHBondContact O-CB 3.33Å; G148-M152 PolarHBondContact O-N 2.94Å; R149-M152 PolarHBondContact O-N 3.33Å; M152-D154 PolarHBondContact O-N 3.43Å; M152-K155 HydrophobicContact CB-CD 4.24Å; M152-K155 HydrophobicContact CG-CD 4.45Å; M152-K155 WeakPolarHBondContact O-CB 3.44Å; M152-K155 PolarHBondContact O-N 3.35Å; M152-Y167 HydrophobicContact CB-CD1 3.77Å; M152-Y167 HydrophobicContact CB-CE1 4.44Å; M152-Y167 HydrophobicContact CB-CG 4.07Å; M152-Y167 WeakPolarHBondContact O-CB 3.5Å; M152-Y167 HydrophobicContact SD-CD1 4.23Å; M152-Y167 HydrophobicContact SD-CE1 4.02Å |
| 153 | S | 80.7 | Confident | 84.5 | Confident | 21 Ų | 21 | 58.7 Ų | 58.7 | 15% | 0.147 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -44.8 | -40.7 | -171.1 | -166.3 | 0 | 0 | 0 | 0 | 114.5 | R149 K155 | R149-S153 VanDerWaalsContact O-CA 3.23Å; R149-S153 WeakPolarHBondContact O-CA 3.42Å; R149-S153 WeakPolarHBondContact O-CB 3.42Å; R149-S153 PolarHBondContact O-N 2.95Å; S153-K155 PolarHBondContact O-N 3.33Å |
| 154 | D | 77.4 | Confident | 83.7 | Confident | 141 Ų | 141 | 65.9 Ų | 65.9 | 75% | 0.754 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -15.7 | -174.1 | -62.2 | -38.2 | 0 | 0 | 0 | 114.5 | M152 | M152-D154 PolarHBondContact O-N 3.43Š|
| 155 | K | 80.9 | Confident | 83.1 | Confident | 117 Ų | 117 | 68 Ų | 68 | 51% | 0.509 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -72.5 | 144.4 | -178.4 | -64.6 | -176.6 | -176.8 | 176.6 | 0 | 110.7 | M152 S153 R166 Y167 | M152-K155 HydrophobicContact CB-CD 4.24Å; M152-K155 HydrophobicContact CG-CD 4.45Å; M152-K155 WeakPolarHBondContact O-CB 3.44Å; M152-K155 PolarHBondContact O-N 3.35Å; S153-K155 PolarHBondContact O-N 3.33Å; K155-R166 WeakPolarHBondContact O-CA 3.13Å; K155-Y167 HydrophobicContact CB-CD2 3.46Å; K155-Y167 VanDerWaalsContact CB-CD2 3.46Å; K155-Y167 HydrophobicContact CB-CE2 3.75Å; K155-Y167 HydrophobicContact CB-CG 4.16Å; K155-Y167 VanDerWaalsContact O-CD2 3.29Å; K155-Y167 WeakPolarHBondContact O-CD2 3.42Å; K155-Y167 PolarHBondContact O-N 2.84Å |
| 156 | L | 79.8 | Confident | 82.7 | Confident | 79 Ų | 79 | 72 Ų | 72 | 41% | 0.414 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 130.8 | 169.9 | -165.9 | 90.6 | 0 | 0 | 0 | 109.1 | D159 K164 R166 Y167 | L156-D159 HydrophobicContact CD2-CB 3.75Å; L156-K164 HydrophobicContact CD1-CB 3.88Å; L156-K164 HydrophobicContact CD1-CD 4.34Å; L156-K164 HydrophobicContact CD1-CG 4.21Å; L156-R166 HydrophobicContact CD1-CG 4.42Å; L156-Y167 WeakPolarHBondContact O-CE2 3.49Å |
| 157 | L | 79 | Confident | 82.3 | Confident | 59 Ų | 59 | 75.4 Ų | 75.4 | 31% | 0.309 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | -57.4 | 172.8 | -81.6 | 170.8 | 0 | 0 | 0 | 111.1 | I165 R166 Y167 I170 | L157-I165 HydrophobicContact CB-CG2 4.24Å; L157-I165 WeakPolarHBondContact CB-O 3.35Å; L157-I165 HydrophobicContact CD1-CG2 3.96Å; L157-I165 PolarHBondContact N-O 3.49Å; L157-R166 WeakPolarHBondContact CD1-O 3.41Å; L157-Y167 HydrophobicContact CB-CD2 4.28Å; L157-Y167 HydrophobicContact CB-CE2 4.34Å; L157-Y167 HydrophobicContact CD1-CG 4.49Å; L157-Y167 HydrophobicContact CD2-CD1 3.79Å; L157-Y167 HydrophobicContact CD2-CD2 3.44Å; L157-Y167 VanDerWaalsContact CD2-CD2 3.44Å; L157-Y167 HydrophobicContact CD2-CE1 3.58Å; L157-Y167 HydrophobicContact CD2-CE2 3.26Å; L157-Y167 HydrophobicContact CD2-CG 3.7Å; L157-Y167 HydrophobicContact CG-CD1 4.34Å; L157-Y167 HydrophobicContact CG-CD2 3.39Å; L157-Y167 HydrophobicContact CG-CE2 3.67Å; L157-Y167 HydrophobicContact CG-CG 3.75Å; L157-I170 HydrophobicContact CD1-CD1 4.26Å; L157-I170 HydrophobicContact CD1-CG1 3.66Å; L157-I170 HydrophobicContact CD2-CD1 4.19Å; L157-I170 HydrophobicContact CD2-CG1 4.41Å |
| 158 | I | 80.3 | Confident | 82.1 | Confident | 86 Ų | 86 | 76.8 Ų | 76.8 | 44% | 0.441 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 131.5 | -174.6 | -53.9 | 173.9 | 0 | 0 | 0 | 107.6 | F160 I165 | I158-F160 HydrophobicContact CB-CD2 4.2Å; I158-F160 HydrophobicContact CB-CE2 3.98Å; I158-F160 HydrophobicContact CD1-CE2 4.19Å; I158-F160 HydrophobicContact CG2-CD2 3.6Å; I158-F160 HydrophobicContact CG2-CE1 4.43Å; I158-F160 HydrophobicContact CG2-CE2 3.35Å; I158-F160 HydrophobicContact CG2-CG 4.26Å; I158-F160 HydrophobicContact CG2-CZ 3.81Å; I158-I165 PolarHBondContact N-O 3.45Å; I158-I165 PolarHBondContact O-N 2.91Å; I158-I165 VanDerWaalsContact O-N 3.13Å |
| 159 | D | 77.9 | Confident | 82.2 | Confident | 106 Ų | 106 | 77.2 Ų | 77.2 | 57% | 0.567 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 104.8 | 171.3 | -149.6 | 2.5 | 0 | 0 | 0 | 108.7 | L156 | L156-D159 HydrophobicContact CD2-CB 3.75Å |
| 160 | F | 75.2 | Confident | 82.3 | Confident | 105 Ų | 105 | 79 Ų | 79 | 46% | 0.461 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 147.2 | 169.7 | -76.3 | -75.8 | 0 | 0 | 0 | 109.6 | I158 L162 G163 I165 | I158-F160 HydrophobicContact CB-CD2 4.2Å; I158-F160 HydrophobicContact CB-CE2 3.98Å; I158-F160 HydrophobicContact CD1-CE2 4.19Å; I158-F160 HydrophobicContact CG2-CD2 3.6Å; I158-F160 HydrophobicContact CG2-CE1 4.43Å; I158-F160 HydrophobicContact CG2-CE2 3.35Å; I158-F160 HydrophobicContact CG2-CG 4.26Å; I158-F160 HydrophobicContact CG2-CZ 3.81Å; F160-L162 PolarHBondContact O-N 2.73Å; F160-L162 VanDerWaalsContact O-N 3.12Å; F160-G163 WeakPolarHBondContact CB-O 3.47Å; F160-G163 PolarHBondContact N-O 3.47Å; F160-G163 CarbonylContact O-C 3.55Å; F160-G163 PolarHBondContact O-N 3.46Å; F160-I165 HydrophobicContact CD2-CD1 3.99Å; F160-I165 HydrophobicContact CD2-CG1 4.45Å; F160-I165 HydrophobicContact CE2-CD1 4.02Å |
| 161 | P | 75.9 | Confident | 82.5 | Confident | 134 Ų | 134 | 77.8 Ų | 77.8 | 87% | 0.87 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -24.8 | 175 | 24.7 | -33.7 | 0 | 0 | 0 | 112.8 | ||
| 162 | L | 74.9 | Confident | 82.9 | Confident | 177 Ų | 177 | 77.2 Ų | 77.2 | 93% | 0.927 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | -3.1 | 179.8 | -63.1 | 173.4 | 0 | 0 | 0 | 114 | F160 | F160-L162 PolarHBondContact O-N 2.73Å; F160-L162 VanDerWaalsContact O-N 3.12Å |
| 163 | G | 77 | Confident | 83.4 | Confident | 36 Ų | 36 | 78.1 Ų | 78.1 | 37% | 0.371 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 161.2 | 147.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | F160 | F160-G163 WeakPolarHBondContact CB-O 3.47Å; F160-G163 PolarHBondContact N-O 3.47Å; F160-G163 CarbonylContact O-C 3.55Å; F160-G163 PolarHBondContact O-N 3.46Å |
| 164 | K | 81.1 | Confident | 84.1 | Confident | 151 Ų | 151 | 78.2 Ų | 78.2 | 66% | 0.657 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 111.3 | 179 | -67.2 | -177.4 | 179.9 | -178.7 | 0 | 110.9 | L156 | L156-K164 HydrophobicContact CD1-CB 3.88Å; L156-K164 HydrophobicContact CD1-CD 4.34Å; L156-K164 HydrophobicContact CD1-CG 4.21Å |
| 165 | I | 83.4 | Confident | 85 | Confident | 49 Ų | 49 | 72.6 Ų | 72.6 | 25% | 0.251 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 121.5 | 173.8 | -57.9 | -178.6 | 0 | 0 | 0 | 108.5 | L157 I158 F160 H169 I173 | L157-I165 HydrophobicContact CB-CG2 4.24Å; L157-I165 WeakPolarHBondContact CB-O 3.35Å; L157-I165 HydrophobicContact CD1-CG2 3.96Å; L157-I165 PolarHBondContact N-O 3.49Å; I158-I165 PolarHBondContact N-O 3.45Å; I158-I165 PolarHBondContact O-N 2.91Å; I158-I165 VanDerWaalsContact O-N 3.13Å; F160-I165 HydrophobicContact CD2-CD1 3.99Å; F160-I165 HydrophobicContact CD2-CG1 4.45Å; F160-I165 HydrophobicContact CE2-CD1 4.02Å; I165-H169 HydrophobicContact CG2-CB 4.46Å; I165-I173 HydrophobicContact CG2-CD1 3.58Å |
| 166 | R | 87.3 | Confident | 85.7 | Confident | 100 Ų | 100 | 71.8 Ų | 71.8 | 38% | 0.377 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 159.4 | 176.6 | -73.7 | -169.7 | -74.6 | -177.3 | -5.6 | 111.7 | K155 L156 L157 K168 H169 | K155-R166 WeakPolarHBondContact O-CA 3.13Å; L156-R166 HydrophobicContact CD1-CG 4.42Å; L157-R166 WeakPolarHBondContact CD1-O 3.41Å; R166-K168 HydrophobicContact CB-CD 4.43Å; R166-K168 HydrophobicContact CB-CG 4.01Å; R166-K168 VanDerWaalsContact NH2-NZ 3.18Å; R166-K168 PolarHBondContact O-N 3.33Å; R166-H169 PolarHBondContact O-N 2.93Å |
| 167 | Y | 86 | Confident | 86.4 | Confident | 70 Ų | 70 | 71.1 Ų | 71.1 | 28% | 0.275 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -55.8 | -22.7 | 177.1 | -85.1 | -106.3 | 0 | 0 | 0 | 112.8 | M152 K155 L156 L157 H169 I170 | M152-Y167 HydrophobicContact CB-CD1 3.77Å; M152-Y167 HydrophobicContact CB-CE1 4.44Å; M152-Y167 HydrophobicContact CB-CG 4.07Å; M152-Y167 WeakPolarHBondContact O-CB 3.5Å; M152-Y167 HydrophobicContact SD-CD1 4.23Å; M152-Y167 HydrophobicContact SD-CE1 4.02Å; K155-Y167 HydrophobicContact CB-CD2 3.46Å; K155-Y167 VanDerWaalsContact CB-CD2 3.46Å; K155-Y167 HydrophobicContact CB-CE2 3.75Å; K155-Y167 HydrophobicContact CB-CG 4.16Å; K155-Y167 VanDerWaalsContact O-CD2 3.29Å; K155-Y167 WeakPolarHBondContact O-CD2 3.42Å; K155-Y167 PolarHBondContact O-N 2.84Å; L156-Y167 WeakPolarHBondContact O-CE2 3.49Å; L157-Y167 HydrophobicContact CB-CD2 4.28Å; L157-Y167 HydrophobicContact CB-CE2 4.34Å; L157-Y167 HydrophobicContact CD1-CG 4.49Å; L157-Y167 HydrophobicContact CD2-CD1 3.79Å; L157-Y167 HydrophobicContact CD2-CD2 3.44Å; L157-Y167 VanDerWaalsContact CD2-CD2 3.44Å; L157-Y167 HydrophobicContact CD2-CE1 3.58Å; L157-Y167 HydrophobicContact CD2-CE2 3.26Å; L157-Y167 HydrophobicContact CD2-CG 3.7Å; L157-Y167 HydrophobicContact CG-CD1 4.34Å; L157-Y167 HydrophobicContact CG-CD2 3.39Å; L157-Y167 HydrophobicContact CG-CE2 3.67Å; L157-Y167 HydrophobicContact CG-CG 3.75Å; Y167-H169 PolarHBondContact O-N 3.04Å; Y167-H169 VanDerWaalsContact O-N 3.13Å; Y167-I170 HydrophobicContact CD1-CD1 3.33Å; Y167-I170 HydrophobicContact CE1-CD1 4Å; Y167-I170 HydrophobicContact CG-CD1 3.96Å; Y167-I170 VanDerWaalsContact O-CG1 3.26Å; Y167-I170 WeakPolarHBondContact O-CG1 3.27Å; Y167-I170 PolarHBondContact O-N 2.92Å |
| 168 | K | 88.7 | Confident | 87.2 | Confident | 31 Ų | 31 | 69.3 Ų | 69.3 | 14% | 0.135 | 36% | 0.363 | C | S | . | . | G | 310 helix | trans | -53.7 | -30.2 | 170.9 | 80.3 | -177.8 | -171.8 | 165.7 | 0 | 113.7 | R149 R166 | R149-K168 PolarHBondContact NH1-O 2.89Å; R166-K168 HydrophobicContact CB-CD 4.43Å; R166-K168 HydrophobicContact CB-CG 4.01Å; R166-K168 VanDerWaalsContact NH2-NZ 3.18Å; R166-K168 PolarHBondContact O-N 3.33Å |
| 169 | H | 91 | Very high | 88 | Confident | 16 Ų | 16 | 66.5 Ų | 66.5 | 7% | 0.074 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | -88 | -0 | -177.2 | -61.4 | -57.8 | 0 | 0 | 0 | 115 | I165 R166 Y167 F172 I173 F229 F230 | I165-H169 HydrophobicContact CG2-CB 4.46Å; R166-H169 PolarHBondContact O-N 2.93Å; Y167-H169 PolarHBondContact O-N 3.04Å; Y167-H169 VanDerWaalsContact O-N 3.13Å; H169-F172 PolarHBondContact O-N 2.98Å; H169-I173 HydrophobicContact CB-CD1 3.88Å; H169-I173 HydrophobicContact CB-CG1 4.32Å; H169-I173 WeakPolarHBondContact O-CG1 3.29Å; H169-I173 PolarHBondContact O-N 3.38Å; H169-F229 WeakPolarHBondContact CA-O 3.38Å; H169-F229 PolarHBondContact ND1-O 3.01Å; H169-F230 PolarHBondContact CE1-O 3.41Å; H169-F230 PolarHBondContact ND1-O 2.88Å |
| 170 | I | 92.6 | Very high | 89 | Confident | 41 Ų | 41 | 64.9 Ų | 64.9 | 21% | 0.21 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -54.8 | -46.9 | -177.5 | -65.9 | 173.6 | 0 | 0 | 0 | 112.9 | T145 L157 Y167 F172 I173 S174 | T145-I170 HydrophobicContact CG2-CG2 4.33Å; L157-I170 HydrophobicContact CD1-CD1 4.26Å; L157-I170 HydrophobicContact CD1-CG1 3.66Å; L157-I170 HydrophobicContact CD2-CD1 4.19Å; L157-I170 HydrophobicContact CD2-CG1 4.41Å; Y167-I170 HydrophobicContact CD1-CD1 3.33Å; Y167-I170 HydrophobicContact CE1-CD1 4Å; Y167-I170 HydrophobicContact CG-CD1 3.96Å; Y167-I170 VanDerWaalsContact O-CG1 3.26Å; Y167-I170 WeakPolarHBondContact O-CG1 3.27Å; Y167-I170 PolarHBondContact O-N 2.92Å; I170-F172 VanDerWaalsContact C-N 3.26Å; I170-F172 PolarHBondContact O-N 3.34Å; I170-I173 PolarHBondContact O-N 3.42Å; I170-S174 VanDerWaalsContact O-CB 3.27Å; I170-S174 WeakPolarHBondContact O-CB 3.5Å; I170-S174 PolarHBondContact O-N 3.28Å; I170-S174 PolarHBondContact O-OG 3.14Å |
| 171 | P | 94.9 | Very high | 89.9 | Confident | 2 Ų | 2 | 62.8 Ų | 62.8 | 1% | 0.013 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -58.9 | -40.2 | -179.1 | -25.1 | 35.4 | 0 | 0 | 0 | 112.4 | V146 R149 S174 A175 I199 F229 | V146-P171 HydrophobicContact CG2-CB 4.27Å; V146-P171 HydrophobicContact CG2-CG 4.18Å; R149-P171 HydrophobicContact CB-CG 4.14Å; P171-S174 PolarHBondContact O-OG 2.93Å; P171-S174 VanDerWaalsContact O-OG 3.07Å; P171-A175 WeakPolarHBondContact O-CB 3.41Å; P171-A175 PolarHBondContact O-N 3.34Å; P171-I199 HydrophobicContact CB-CD1 4.45Å; P171-I199 HydrophobicContact CB-CG2 4.31Å; P171-F229 HydrophobicContact CB-CD2 3.65Å; P171-F229 HydrophobicContact CB-CE2 4.01Å; P171-F229 HydrophobicContact CB-CG 4.16Å; P171-F229 HydrophobicContact CG-CD2 4.09Å; P171-F229 HydrophobicContact CG-CE2 4.23Å; P171-F229 HydrophobicContact CG-CG 4.28Å |
| 172 | F | 93.5 | Very high | 90.8 | Very high | 47 Ų | 47 | 60.6 Ų | 60.6 | 21% | 0.206 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -69.5 | -48.2 | 178 | 175.2 | -105.7 | 0 | 0 | 0 | 112.3 | H169 I170 S174 A175 L176 F229 F230 P231 L234 | H169-F172 PolarHBondContact O-N 2.98Å; I170-F172 VanDerWaalsContact C-N 3.26Å; I170-F172 PolarHBondContact O-N 3.34Å; F172-S174 VanDerWaalsContact C-N 3.34Å; F172-S174 PolarHBondContact O-N 3.37Å; F172-A175 PolarHBondContact O-N 2.88Å; F172-L176 WeakPolarHBondContact O-CB 3.34Å; F172-L176 PolarHBondContact O-N 3.32Å; F172-F229 VanDerWaalsContact CB-O 3.24Å; F172-F229 WeakPolarHBondContact CB-O 3.44Å; F172-F230 AromaticContact CD2-CD1 3.32Å; F172-F230 HydrophobicContact CD2-CD1 3.32Å; F172-F230 AromaticContact CD2-CE1 3.34Å; F172-F230 HydrophobicContact CD2-CE1 3.34Å; F172-F230 HydrophobicContact CD2-CG 4.08Å; F172-F230 HydrophobicContact CD2-CZ 4.08Å; F172-F230 AromaticContact CE2-CD1 3.43Å; F172-F230 HydrophobicContact CE2-CD1 3.43Å; F172-F230 VanDerWaalsContact CE2-CD1 3.43Å; F172-F230 AromaticContact CE2-CE1 3.5Å; F172-F230 HydrophobicContact CE2-CE1 3.5Å; F172-F230 VanDerWaalsContact CE2-CE1 3.5Å; F172-F230 HydrophobicContact CG-CD1 4.14Å; F172-F230 HydrophobicContact CG-CE1 4.45Å; F172-F230 HydrophobicContact CZ-CD1 4.32Å; F172-P231 HydrophobicContact CD1-CG 4.26Å; F172-P231 HydrophobicContact CE1-CG 3.96Å; F172-L234 HydrophobicContact CE2-CD1 4.4Å; F172-L234 HydrophobicContact CZ-CD1 4.03Å |
| 173 | I | 93.7 | Very high | 91.8 | Very high | 73 Ų | 73 | 56.8 Ų | 56.8 | 37% | 0.374 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.9 | -42.9 | -179.1 | -66.2 | 167.6 | 0 | 0 | 0 | 110.8 | I165 H169 I170 L176 S177 | I165-I173 HydrophobicContact CG2-CD1 3.58Å; H169-I173 HydrophobicContact CB-CD1 3.88Å; H169-I173 HydrophobicContact CB-CG1 4.32Å; H169-I173 WeakPolarHBondContact O-CG1 3.29Å; H169-I173 PolarHBondContact O-N 3.38Å; I170-I173 PolarHBondContact O-N 3.42Å; I173-L176 PolarHBondContact O-N 3.03Å; I173-S177 WeakPolarHBondContact O-CB 3.36Å; I173-S177 PolarHBondContact O-N 3.4Å |
| 174 | S | 95.5 | Very high | 92.8 | Very high | 23 Ų | 23 | 61.5 Ų | 61.5 | 16% | 0.161 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -68 | -38.7 | 177.9 | 59.5 | 0 | 0 | 0 | 0 | 112.3 | I170 P171 F172 S177 F178 | I170-S174 VanDerWaalsContact O-CB 3.27Å; I170-S174 WeakPolarHBondContact O-CB 3.5Å; I170-S174 PolarHBondContact O-N 3.28Å; I170-S174 PolarHBondContact O-OG 3.14Å; P171-S174 PolarHBondContact O-OG 2.93Å; P171-S174 VanDerWaalsContact O-OG 3.07Å; F172-S174 VanDerWaalsContact C-N 3.34Å; F172-S174 PolarHBondContact O-N 3.37Å; S174-S177 PolarHBondContact O-N 3.4Å; S174-F178 WeakPolarHBondContact O-CB 3.42Å; S174-F178 PolarHBondContact O-N 3.21Å |
| 175 | A | 96.4 | Very high | 93.3 | Very high | 23 Ų | 23 | 57.3 Ų | 57.3 | 19% | 0.19 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.8 | -41.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | P171 F172 F178 A179 F195 I199 | P171-A175 WeakPolarHBondContact O-CB 3.41Å; P171-A175 PolarHBondContact O-N 3.34Å; F172-A175 PolarHBondContact O-N 2.88Å; A175-F178 PolarHBondContact O-N 2.88Å; A175-A179 WeakPolarHBondContact O-CB 3.41Å; A175-A179 PolarHBondContact O-N 3.34Å; A175-F195 HydrophobicContact CB-CE1 4.17Å; A175-I199 HydrophobicContact CB-CD1 4.01Å |
| 176 | L | 95.5 | Very high | 93.7 | Very high | 99 Ų | 99 | 61.5 Ų | 61.5 | 52% | 0.518 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64.2 | -42.6 | 174.8 | -176.1 | 62.6 | 0 | 0 | 0 | 111.3 | F172 I173 F178 A179 V180 | F172-L176 WeakPolarHBondContact O-CB 3.34Å; F172-L176 PolarHBondContact O-N 3.32Å; I173-L176 PolarHBondContact O-N 3.03Å; L176-F178 PolarHBondContact O-N 2.96Å; L176-A179 WeakPolarHBondContact O-CB 2.99Å; L176-A179 PolarHBondContact O-N 3.17Å; L176-V180 WeakPolarHBondContact O-CG2 3.24Å; L176-V180 PolarHBondContact O-N 2.97Å |
| 177 | S | 95.7 | Very high | 93.9 | Very high | 66 Ų | 66 | 57.7 Ų | 57.7 | 46% | 0.462 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.1 | -45.1 | 174.6 | 179.2 | 0 | 0 | 0 | 0 | 111.6 | I173 S174 A179 V180 L181 | I173-S177 WeakPolarHBondContact O-CB 3.36Å; I173-S177 PolarHBondContact O-N 3.4Å; S174-S177 PolarHBondContact O-N 3.4Å; S177-A179 VanDerWaalsContact C-N 3.33Å; S177-A179 PolarHBondContact O-N 3.15Å; S177-V180 PolarHBondContact O-N 3.09Å; S177-L181 WeakPolarHBondContact O-CG 3.41Å; S177-L181 PolarHBondContact O-N 3.02Å |
| 178 | F | 95.9 | Very high | 94.2 | Very high | 21 Ų | 21 | 58 Ų | 58 | 9% | 0.092 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.8 | -37.3 | 174.5 | -105 | -108.2 | 0 | 0 | 0 | 112.8 | L76 V138 L141 S174 A175 L176 L181 F182 F192 F195 | L76-F178 HydrophobicContact CD2-CE2 4.32Å; L76-F178 HydrophobicContact CD2-CZ 3.67Å; V138-F178 HydrophobicContact CG1-CE1 3.78Å; V138-F178 HydrophobicContact CG1-CZ 4.17Å; L141-F178 HydrophobicContact CD2-CE2 4.27Å; L141-F178 HydrophobicContact CD2-CZ 4.19Å; S174-F178 WeakPolarHBondContact O-CB 3.42Å; S174-F178 PolarHBondContact O-N 3.21Å; A175-F178 PolarHBondContact O-N 2.88Å; L176-F178 PolarHBondContact O-N 2.96Å; F178-L181 PolarHBondContact O-N 3.39Å; F178-F182 WeakPolarHBondContact O-CB 3.49Å; F178-F182 PolarHBondContact O-N 3.19Å; F178-F192 HydrophobicContact CB-CD2 4.23Å; F178-F195 HydrophobicContact CB-CD1 4Å; F178-F195 HydrophobicContact CB-CE1 4.35Å; F178-F195 HydrophobicContact CB-CG 4.42Å; F178-F195 HydrophobicContact CD1-CB 3.7Å; F178-F195 HydrophobicContact CD1-CD1 4.16Å; F178-F195 HydrophobicContact CD1-CD2 4.12Å; F178-F195 AromaticContact CD1-CG 3.72Å; F178-F195 HydrophobicContact CD1-CG 3.72Å; F178-F195 HydrophobicContact CD2-CD1 4.24Å; F178-F195 HydrophobicContact CD2-CD2 4.08Å; F178-F195 HydrophobicContact CD2-CE1 4.24Å; F178-F195 HydrophobicContact CD2-CE2 4.07Å; F178-F195 HydrophobicContact CD2-CG 4.17Å; F178-F195 HydrophobicContact CD2-CZ 4.17Å; F178-F195 HydrophobicContact CE1-CB 3.86Å; F178-F195 AromaticContact CE1-CD2 3.9Å; F178-F195 HydrophobicContact CE1-CD2 3.9Å; F178-F195 AromaticContact CE1-CG 3.92Å; F178-F195 HydrophobicContact CE1-CG 3.92Å; F178-F195 AromaticContact CE2-CD2 3.87Å; F178-F195 HydrophobicContact CE2-CD2 3.87Å; F178-F195 AromaticContact CE2-CE2 3.9Å; F178-F195 HydrophobicContact CE2-CE2 3.9Å; F178-F195 HydrophobicContact CE2-CG 4.35Å; F178-F195 HydrophobicContact CE2-CZ 4.42Å; F178-F195 HydrophobicContact CG-CB 4.3Å; F178-F195 AromaticContact CG-CD1 3.88Å; F178-F195 HydrophobicContact CG-CD1 3.88Å; F178-F195 HydrophobicContact CG-CD2 4.19Å; F178-F195 HydrophobicContact CG-CE1 4.27Å; F178-F195 AromaticContact CG-CG 3.84Å; F178-F195 HydrophobicContact CG-CG 3.84Å; F178-F195 AromaticContact CZ-CD2 3.76Å; F178-F195 HydrophobicContact CZ-CD2 3.76Å; F178-F195 HydrophobicContact CZ-CE2 4.23Å; F178-F195 HydrophobicContact CZ-CG 4.22Å |
| 179 | A | 96.7 | Very high | 94.5 | Very high | 27 Ų | 27 | 58 Ų | 58 | 22% | 0.223 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.9 | -38.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A175 L176 S177 F182 S183 F192 | A175-A179 WeakPolarHBondContact O-CB 3.41Å; A175-A179 PolarHBondContact O-N 3.34Å; L176-A179 WeakPolarHBondContact O-CB 2.99Å; L176-A179 PolarHBondContact O-N 3.17Å; S177-A179 VanDerWaalsContact C-N 3.33Å; S177-A179 PolarHBondContact O-N 3.15Å; A179-F182 PolarHBondContact O-N 2.63Å; A179-S183 WeakPolarHBondContact O-CB 3.48Å; A179-S183 PolarHBondContact O-N 2.91Å; A179-S183 PolarHBondContact O-OG 3.02Å; A179-F192 HydrophobicContact CB-CE2 3.74Å; A179-F192 HydrophobicContact CB-CZ 4.22Å |
| 180 | V | 97.4 | Very high | 94.6 | Very high | 72 Ų | 72 | 58.2 Ų | 58.2 | 44% | 0.436 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -65.8 | -45.1 | 174.1 | 173.2 | 0 | 0 | 0 | 0 | 110.8 | L176 S177 F182 S183 I184 | L176-V180 WeakPolarHBondContact O-CG2 3.24Å; L176-V180 PolarHBondContact O-N 2.97Å; S177-V180 PolarHBondContact O-N 3.09Å; V180-F182 VanDerWaalsContact C-N 3.27Å; V180-F182 PolarHBondContact O-N 3.46Å; V180-S183 PolarHBondContact O-N 2.92Å; V180-S183 VanDerWaalsContact O-N 3.14Å; V180-I184 HydrophobicContact CG1-CD1 3.7Å; V180-I184 WeakPolarHBondContact O-CG1 3.49Å; V180-I184 PolarHBondContact O-N 3.38Å |
| 181 | L | 95.5 | Very high | 94.8 | Very high | 60 Ų | 60 | 56.7 Ų | 56.7 | 31% | 0.314 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -59.9 | -39 | 175.9 | -69.2 | 175.1 | 0 | 0 | 0 | 112.1 | S177 F178 G185 F186 C187 | S177-L181 WeakPolarHBondContact O-CG 3.41Å; S177-L181 PolarHBondContact O-N 3.02Å; F178-L181 PolarHBondContact O-N 3.39Å; L181-G185 PolarHBondContact O-N 3.45Å; L181-F186 HydrophobicContact CB-CB 4.46Å; L181-F186 HydrophobicContact CD2-CB 4.25Å; L181-F186 HydrophobicContact CD2-CD1 3.96Å; L181-F186 HydrophobicContact CD2-CG 4.34Å; L181-F186 PolarHBondContact O-N 3.2Å; L181-C187 PolarHBondContact O-N 3.42Å |
| 182 | F | 95 | Very high | 94.9 | Very high | 89 Ų | 89 | 59.2 Ų | 59.2 | 39% | 0.39 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.4 | -45.4 | 174.1 | 171.7 | -117.8 | 0 | 0 | 0 | 111.3 | F178 A179 V180 I184 G185 C187 G189 F192 | F178-F182 WeakPolarHBondContact O-CB 3.49Å; F178-F182 PolarHBondContact O-N 3.19Å; A179-F182 PolarHBondContact O-N 2.63Å; V180-F182 VanDerWaalsContact C-N 3.27Å; V180-F182 PolarHBondContact O-N 3.46Å; F182-I184 VanDerWaalsContact C-N 3.3Å; F182-I184 PolarHBondContact O-N 2.79Å; F182-G185 PolarHBondContact O-N 3.21Å; F182-C187 WeakPolarHBondContact CA-SG 3.26Å; F182-C187 VanDerWaalsContact CB-SG 3.59Å; F182-C187 PolarHBondContact N-SG 2.86Å; F182-G189 VanDerWaalsContact CE2-CA 3.46Å; F182-F192 HydrophobicContact CB-CB 4.2Å; F182-F192 HydrophobicContact CB-CD2 4.43Å; F182-F192 HydrophobicContact CB-CG 4.31Å; F182-F192 HydrophobicContact CD1-CD1 4.41Å; F182-F192 HydrophobicContact CD1-CG 4.49Å; F182-F192 HydrophobicContact CD2-CB 4.45Å; F182-F192 HydrophobicContact CG-CB 4.23Å; F182-F192 HydrophobicContact CG-CG 4.34Å |
| 183 | S | 95.7 | Very high | 95 | Very high | 97 Ų | 97 | 58.9 Ų | 58.9 | 68% | 0.678 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -64.8 | -31.9 | -177.8 | -56.6 | 0 | 0 | 0 | 0 | 113.1 | A179 V180 G185 | A179-S183 WeakPolarHBondContact O-CB 3.48Å; A179-S183 PolarHBondContact O-N 2.91Å; A179-S183 PolarHBondContact O-OG 3.02Å; V180-S183 PolarHBondContact O-N 2.92Å; V180-S183 VanDerWaalsContact O-N 3.14Å; S183-G185 VanDerWaalsContact C-N 3.28Å |
| 184 | I | 96.4 | Very high | 95.2 | Very high | 134 Ų | 134 | 55.5 Ų | 55.5 | 69% | 0.687 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -5.5 | 176 | -60 | 165.7 | 0 | 0 | 0 | 111.3 | V180 F182 | V180-I184 HydrophobicContact CG1-CD1 3.7Å; V180-I184 WeakPolarHBondContact O-CG1 3.49Å; V180-I184 PolarHBondContact O-N 3.38Å; F182-I184 VanDerWaalsContact C-N 3.3Å; F182-I184 PolarHBondContact O-N 2.79Å |
| 185 | G | 92.5 | Very high | 95.3 | Very high | 63 Ų | 63 | 54.5 Ų | 54.5 | 65% | 0.649 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.8 | 13.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | L181 F182 S183 | L181-G185 PolarHBondContact O-N 3.45Å; F182-G185 PolarHBondContact O-N 3.21Å; S183-G185 VanDerWaalsContact C-N 3.28Å |
| 186 | F | 92.1 | Very high | 95.3 | Very high | 138 Ų | 138 | 56.3 Ų | 56.3 | 61% | 0.605 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -78.9 | -24.5 | 178.4 | -166.3 | -99.8 | 0 | 0 | 0 | 112.9 | T72 L181 | T72-F186 HydrophobicContact CG2-CE1 4.09Å; T72-F186 HydrophobicContact CG2-CZ 4.36Å; L181-F186 HydrophobicContact CB-CB 4.46Å; L181-F186 HydrophobicContact CD2-CB 4.25Å; L181-F186 HydrophobicContact CD2-CD1 3.96Å; L181-F186 HydrophobicContact CD2-CG 4.34Å; L181-F186 PolarHBondContact O-N 3.2Å |
| 187 | C | 91.6 | Very high | 95.4 | Very high | 20 Ų | 20 | 53.1 Ų | 53.1 | 14% | 0.135 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -127.1 | 155.3 | 171.5 | 75.7 | 0 | 0 | 0 | 0 | 111.7 | L181 F182 | L181-C187 PolarHBondContact O-N 3.42Å; F182-C187 WeakPolarHBondContact CA-SG 3.26Å; F182-C187 VanDerWaalsContact CB-SG 3.59Å; F182-C187 PolarHBondContact N-SG 2.86Å |
| 188 | T | 92.7 | Very high | 95.5 | Very high | 77 Ų | 77 | 50 Ų | 50 | 47% | 0.472 | 30% | 0.298 | S | S | . | . | trans | -80.1 | 157.6 | -179.7 | 70.4 | 0 | 0 | 0 | 0 | 111.3 | I190 S191 F192 | T188-I190 PolarHBondContact O-N 2.99Å; T188-S191 PolarHBondContact O-N 2.82Å; T188-S191 VanDerWaalsContact O-N 3.1Å; T188-S191 PolarHBondContact OG1-N 3.35Å; T188-S191 VanDerWaalsContact OG1-N 3.16Å; T188-S191 PolarHBondContact OG1-OG 3.18Å; T188-F192 PolarHBondContact O-N 2.86Å | ||
| 189 | G | 93.2 | Very high | 95.6 | Very high | 29 Ų | 29 | 49.5 Ų | 49.5 | 30% | 0.299 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -58.6 | -28.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | F182 S193 | F182-G189 VanDerWaalsContact CE2-CA 3.46Å; G189-S193 VanDerWaalsContact O-CB 3.27Å; G189-S193 WeakPolarHBondContact O-CB 3.09Å; G189-S193 PolarHBondContact O-N 2.89Å; G189-S193 PolarHBondContact O-OG 3.24Å |
| 190 | I | 95.2 | Very high | 95.4 | Very high | 21 Ų | 21 | 51.4 Ų | 51.4 | 11% | 0.108 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -67.8 | -48.3 | 173.6 | -63.2 | -59.5 | 0 | 0 | 0 | 111.1 | V112 V116 Y132 V134 T188 F192 S193 L194 | V112-I190 HydrophobicContact CG1-CD1 4.12Å; V112-I190 HydrophobicContact CG1-CG2 4.39Å; V116-I190 HydrophobicContact CG2-CD1 4.3Å; Y132-I190 HydrophobicContact CD1-CG1 4.21Å; Y132-I190 HydrophobicContact CG-CD1 4.47Å; Y132-I190 HydrophobicContact CG-CG1 4.34Å; V134-I190 HydrophobicContact CB-CG2 4.32Å; V134-I190 HydrophobicContact CG1-CG2 4.35Å; V134-I190 HydrophobicContact CG2-CD1 4.4Å; V134-I190 HydrophobicContact CG2-CG2 3.88Å; T188-I190 PolarHBondContact O-N 2.99Å; I190-F192 VanDerWaalsContact C-N 3.32Å; I190-F192 PolarHBondContact O-N 2.58Å; I190-S193 PolarHBondContact O-N 2.78Å; I190-L194 HydrophobicContact CG2-CD1 4.02Å; I190-L194 HydrophobicContact CG2-CG 4.39Å; I190-L194 WeakPolarHBondContact O-CB 3.42Å; I190-L194 WeakPolarHBondContact O-CG 3.27Å; I190-L194 PolarHBondContact O-N 3.39Å |
| 191 | S | 95.4 | Very high | 95.4 | Very high | 9 Ų | 9 | 49.3 Ų | 49.3 | 6% | 0.063 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.2 | -43.3 | 177.6 | -54.3 | 0 | 0 | 0 | 0 | 111.4 | V138 T188 L194 F195 | V138-S191 WeakPolarHBondContact CG1-O 3.25Å; T188-S191 PolarHBondContact O-N 2.82Å; T188-S191 VanDerWaalsContact O-N 3.1Å; T188-S191 PolarHBondContact OG1-N 3.35Å; T188-S191 VanDerWaalsContact OG1-N 3.16Å; T188-S191 PolarHBondContact OG1-OG 3.18Å; S191-L194 PolarHBondContact O-N 3.25Å; S191-F195 WeakPolarHBondContact O-CB 3Å; S191-F195 PolarHBondContact O-N 3.36Å |
| 192 | F | 96.5 | Very high | 95.4 | Very high | 55 Ų | 55 | 46.5 Ų | 46.5 | 24% | 0.241 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.2 | -48.1 | 174.4 | 175.7 | -109.4 | 0 | 0 | 0 | 112 | F178 A179 F182 T188 I190 L194 F195 V196 | F178-F192 HydrophobicContact CB-CD2 4.23Å; A179-F192 HydrophobicContact CB-CE2 3.74Å; A179-F192 HydrophobicContact CB-CZ 4.22Å; F182-F192 HydrophobicContact CB-CB 4.2Å; F182-F192 HydrophobicContact CB-CD2 4.43Å; F182-F192 HydrophobicContact CB-CG 4.31Å; F182-F192 HydrophobicContact CD1-CD1 4.41Å; F182-F192 HydrophobicContact CD1-CG 4.49Å; F182-F192 HydrophobicContact CD2-CB 4.45Å; F182-F192 HydrophobicContact CG-CB 4.23Å; F182-F192 HydrophobicContact CG-CG 4.34Å; T188-F192 PolarHBondContact O-N 2.86Å; I190-F192 VanDerWaalsContact C-N 3.32Å; I190-F192 PolarHBondContact O-N 2.58Å; F192-L194 PolarHBondContact O-N 3Å; F192-F195 WeakPolarHBondContact O-CB 3.44Å; F192-F195 PolarHBondContact O-N 3.49Å; F192-V196 HydrophobicContact CD2-CG2 4.25Å; F192-V196 HydrophobicContact CE1-CG2 4.31Å; F192-V196 HydrophobicContact CE2-CG2 3.74Å; F192-V196 HydrophobicContact CZ-CG2 3.78Å; F192-V196 WeakPolarHBondContact O-CG2 3.43Å; F192-V196 PolarHBondContact O-N 2.67Å |
| 193 | S | 96.6 | Very high | 95.3 | Very high | 40 Ų | 40 | 42.8 Ų | 42.8 | 28% | 0.28 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.7 | -41.4 | 179.2 | -60.5 | 0 | 0 | 0 | 0 | 112.1 | G189 I190 V196 T197 | G189-S193 VanDerWaalsContact O-CB 3.27Å; G189-S193 WeakPolarHBondContact O-CB 3.09Å; G189-S193 PolarHBondContact O-N 2.89Å; G189-S193 PolarHBondContact O-OG 3.24Å; I190-S193 PolarHBondContact O-N 2.78Å; S193-V196 PolarHBondContact O-N 3.4Å; S193-T197 WeakPolarHBondContact O-CB 3.45Å; S193-T197 VanDerWaalsContact O-CG2 3.26Å; S193-T197 WeakPolarHBondContact O-CG2 3.4Å; S193-T197 PolarHBondContact O-N 3.13Å; S193-T197 PolarHBondContact O-OG1 2.81Å |
| 194 | L | 97.6 | Very high | 95.1 | Very high | 3 Ų | 3 | 38.8 Ų | 38.8 | 2% | 0.016 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.9 | -45.9 | 174.2 | -80 | 171.8 | 0 | 0 | 0 | 111.4 | V112 V134 V138 A139 I190 S191 F192 T197 G198 | V112-L194 HydrophobicContact CB-CD2 4.2Å; V112-L194 HydrophobicContact CG2-CD2 3.93Å; V112-L194 HydrophobicContact CG2-CG 4.22Å; V134-L194 HydrophobicContact CG1-CD1 3.94Å; V134-L194 HydrophobicContact CG1-CD2 3.78Å; V134-L194 HydrophobicContact CG1-CG 4.17Å; V138-L194 HydrophobicContact CB-CB 4.38Å; V138-L194 HydrophobicContact CG1-CB 4.36Å; A139-L194 VanDerWaalsContact CA-O 3.26Å; A139-L194 WeakPolarHBondContact CA-O 3.27Å; A139-L194 HydrophobicContact CB-CB 4.2Å; A139-L194 HydrophobicContact CB-CD2 4.09Å; A139-L194 WeakPolarHBondContact CB-O 3.41Å; I190-L194 HydrophobicContact CG2-CD1 4.02Å; I190-L194 HydrophobicContact CG2-CG 4.39Å; I190-L194 WeakPolarHBondContact O-CB 3.42Å; I190-L194 WeakPolarHBondContact O-CG 3.27Å; I190-L194 PolarHBondContact O-N 3.39Å; S191-L194 PolarHBondContact O-N 3.25Å; F192-L194 PolarHBondContact O-N 3Å; L194-T197 WeakPolarHBondContact CA-OG1 3.37Å; L194-T197 PolarHBondContact O-OG1 2.84Å; L194-T197 VanDerWaalsContact O-OG1 3.09Å; L194-G198 WeakPolarHBondContact O-CA 3.19Å; L194-G198 PolarHBondContact O-N 3.44Å |
| 195 | F | 97.9 | Very high | 94.9 | Very high | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.009 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.6 | -49 | -180 | -172.6 | -96.3 | 0 | 0 | 0 | 111.9 | V138 L141 T145 A175 F178 S191 F192 G198 I199 | V138-F195 HydrophobicContact CG1-CB 3.94Å; V138-F195 HydrophobicContact CG1-CD2 4.32Å; L141-F195 HydrophobicContact CB-CD2 4.45Å; L141-F195 HydrophobicContact CB-CE2 4.33Å; L141-F195 HydrophobicContact CD2-CE2 4.26Å; L141-F195 HydrophobicContact CG-CE2 4Å; T145-F195 HydrophobicContact CG2-CE2 4.33Å; T145-F195 HydrophobicContact CG2-CZ 3.97Å; A175-F195 HydrophobicContact CB-CE1 4.17Å; F178-F195 HydrophobicContact CB-CD1 4Å; F178-F195 HydrophobicContact CB-CE1 4.35Å; F178-F195 HydrophobicContact CB-CG 4.42Å; F178-F195 HydrophobicContact CD1-CB 3.7Å; F178-F195 HydrophobicContact CD1-CD1 4.16Å; F178-F195 HydrophobicContact CD1-CD2 4.12Å; F178-F195 AromaticContact CD1-CG 3.72Å; F178-F195 HydrophobicContact CD1-CG 3.72Å; F178-F195 HydrophobicContact CD2-CD1 4.24Å; F178-F195 HydrophobicContact CD2-CD2 4.08Å; F178-F195 HydrophobicContact CD2-CE1 4.24Å; F178-F195 HydrophobicContact CD2-CE2 4.07Å; F178-F195 HydrophobicContact CD2-CG 4.17Å; F178-F195 HydrophobicContact CD2-CZ 4.17Å; F178-F195 HydrophobicContact CE1-CB 3.86Å; F178-F195 AromaticContact CE1-CD2 3.9Å; F178-F195 HydrophobicContact CE1-CD2 3.9Å; F178-F195 AromaticContact CE1-CG 3.92Å; F178-F195 HydrophobicContact CE1-CG 3.92Å; F178-F195 AromaticContact CE2-CD2 3.87Å; F178-F195 HydrophobicContact CE2-CD2 3.87Å; F178-F195 AromaticContact CE2-CE2 3.9Å; F178-F195 HydrophobicContact CE2-CE2 3.9Å; F178-F195 HydrophobicContact CE2-CG 4.35Å; F178-F195 HydrophobicContact CE2-CZ 4.42Å; F178-F195 HydrophobicContact CG-CB 4.3Å; F178-F195 AromaticContact CG-CD1 3.88Å; F178-F195 HydrophobicContact CG-CD1 3.88Å; F178-F195 HydrophobicContact CG-CD2 4.19Å; F178-F195 HydrophobicContact CG-CE1 4.27Å; F178-F195 AromaticContact CG-CG 3.84Å; F178-F195 HydrophobicContact CG-CG 3.84Å; F178-F195 AromaticContact CZ-CD2 3.76Å; F178-F195 HydrophobicContact CZ-CD2 3.76Å; F178-F195 HydrophobicContact CZ-CE2 4.23Å; F178-F195 HydrophobicContact CZ-CG 4.22Å; S191-F195 WeakPolarHBondContact O-CB 3Å; S191-F195 PolarHBondContact O-N 3.36Å; F192-F195 WeakPolarHBondContact O-CB 3.44Å; F192-F195 PolarHBondContact O-N 3.49Å; F195-G198 PolarHBondContact O-N 3.42Å; F195-I199 HydrophobicContact CD1-CD1 3.92Å; F195-I199 HydrophobicContact CE1-CD1 3.4Å; F195-I199 HydrophobicContact CE1-CG1 4.32Å; F195-I199 HydrophobicContact CZ-CD1 4.01Å; F195-I199 PolarHBondContact O-N 3.29Å |
| 196 | V | 96.9 | Very high | 94.8 | Very high | 60 Ų | 60 | 31 Ų | 31 | 36% | 0.364 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -68.5 | -44.7 | -178.7 | 175.6 | 0 | 0 | 0 | 0 | 111.8 | F192 S193 G198 I199 F200 | F192-V196 HydrophobicContact CD2-CG2 4.25Å; F192-V196 HydrophobicContact CE1-CG2 4.31Å; F192-V196 HydrophobicContact CE2-CG2 3.74Å; F192-V196 HydrophobicContact CZ-CG2 3.78Å; F192-V196 WeakPolarHBondContact O-CG2 3.43Å; F192-V196 PolarHBondContact O-N 2.67Å; S193-V196 PolarHBondContact O-N 3.4Å; V196-G198 VanDerWaalsContact C-N 3.28Å; V196-G198 PolarHBondContact O-N 3.32Å; V196-I199 WeakPolarHBondContact O-CB 3.39Å; V196-I199 PolarHBondContact O-N 3.3Å; V196-F200 PolarHBondContact O-N 2.74Å; V196-F200 VanDerWaalsContact O-N 3.09Å |
| 197 | T | 96.8 | Very high | 94.6 | Very high | 32 Ų | 32 | 26.2 Ų | 26.2 | 20% | 0.196 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.9 | -37.6 | 175.5 | 52.4 | 0 | 0 | 0 | 0 | 111.4 | V112 S193 L194 F200 I201 | V112-T197 HydrophobicContact CG2-CG2 4.03Å; S193-T197 WeakPolarHBondContact O-CB 3.45Å; S193-T197 VanDerWaalsContact O-CG2 3.26Å; S193-T197 WeakPolarHBondContact O-CG2 3.4Å; S193-T197 PolarHBondContact O-N 3.13Å; S193-T197 PolarHBondContact O-OG1 2.81Å; L194-T197 WeakPolarHBondContact CA-OG1 3.37Å; L194-T197 PolarHBondContact O-OG1 2.84Å; L194-T197 VanDerWaalsContact O-OG1 3.09Å; T197-F200 PolarHBondContact O-N 2.71Å; T197-I201 WeakPolarHBondContact O-CB 2.95Å; T197-I201 WeakPolarHBondContact O-CG1 3.25Å; T197-I201 PolarHBondContact O-N 2.65Å |
| 198 | G | 98 | Very high | 94.4 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -58.3 | -45.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | S108 A139 L194 F195 V196 A202 | S108-G198 WeakPolarHBondContact OG-CA 3.43Å; A139-G198 WeakPolarHBondContact O-CA 3.35Å; L194-G198 WeakPolarHBondContact O-CA 3.19Å; L194-G198 PolarHBondContact O-N 3.44Å; F195-G198 PolarHBondContact O-N 3.42Å; V196-G198 VanDerWaalsContact C-N 3.28Å; V196-G198 PolarHBondContact O-N 3.32Å; G198-A202 WeakPolarHBondContact O-CB 3.45Å; G198-A202 PolarHBondContact O-N 2.71Å |
| 199 | I | 97 | Very high | 94.1 | Very high | 11 Ų | 11 | 26.4 Ų | 26.4 | 6% | 0.056 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -58.6 | -48.9 | 173.2 | -72.6 | 172.4 | 0 | 0 | 0 | 110.6 | G142 V146 P171 A175 F195 V196 W203 F226 F229 | G142-I199 WeakPolarHBondContact O-CG1 3.47Å; V146-I199 HydrophobicContact CG2-CB 4.15Å; V146-I199 HydrophobicContact CG2-CG1 4.25Å; V146-I199 HydrophobicContact CG2-CG2 3.75Å; P171-I199 HydrophobicContact CB-CD1 4.45Å; P171-I199 HydrophobicContact CB-CG2 4.31Å; A175-I199 HydrophobicContact CB-CD1 4.01Å; F195-I199 HydrophobicContact CD1-CD1 3.92Å; F195-I199 HydrophobicContact CE1-CD1 3.4Å; F195-I199 HydrophobicContact CE1-CG1 4.32Å; F195-I199 HydrophobicContact CZ-CD1 4.01Å; F195-I199 PolarHBondContact O-N 3.29Å; V196-I199 WeakPolarHBondContact O-CB 3.39Å; V196-I199 PolarHBondContact O-N 3.3Å; I199-W203 WeakPolarHBondContact O-CB 3.46Å; I199-W203 PolarHBondContact O-N 3.18Å; I199-F226 HydrophobicContact CG2-CE2 4.31Å; I199-F229 HydrophobicContact CG2-CD2 4.41Å; I199-F229 HydrophobicContact CG2-CE2 4.04Å |
| 200 | F | 94.3 | Very high | 93.9 | Very high | 68 Ų | 68 | 25.5 Ų | 25.5 | 30% | 0.298 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -65.3 | -45.9 | -175.8 | -175.6 | -101.6 | 0 | 0 | 0 | 112.4 | V196 T197 W203 T204 F226 A245 L249 | V196-F200 PolarHBondContact O-N 2.74Å; V196-F200 VanDerWaalsContact O-N 3.09Å; T197-F200 PolarHBondContact O-N 2.71Å; F200-W203 PolarHBondContact O-N 2.97Å; F200-T204 WeakPolarHBondContact O-CB 3.45Å; F200-T204 PolarHBondContact O-N 2.9Å; F200-T204 PolarHBondContact O-OG1 3.31Å; F200-F226 HydrophobicContact CD2-CE2 4.28Å; F200-A245 HydrophobicContact CZ-CB 4.33Å; F200-L249 HydrophobicContact CE1-CD1 4.33Å; F200-L249 HydrophobicContact CZ-CD1 4.19Å |
| 201 | I | 95.4 | Very high | 93.4 | Very high | 28 Ų | 28 | 34.2 Ų | 34.2 | 14% | 0.144 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -68.2 | -42.9 | 179.7 | -71.7 | 165.4 | 0 | 0 | 0 | 110.7 | L103 V104 S108 T197 T204 Y205 | L103-I201 HydrophobicContact CD2-CG2 4.12Å; V104-I201 HydrophobicContact CG2-CG2 4.49Å; S108-I201 VanDerWaalsContact CA-CD1 3.45Å; S108-I201 VanDerWaalsContact OG-CD1 3.28Å; S108-I201 WeakPolarHBondContact OG-CD1 3.21Å; T197-I201 WeakPolarHBondContact O-CB 2.95Å; T197-I201 WeakPolarHBondContact O-CG1 3.25Å; T197-I201 PolarHBondContact O-N 2.65Å; I201-T204 PolarHBondContact O-N 3.4Å; I201-Y205 WeakPolarHBondContact O-CB 3.43Å; I201-Y205 PolarHBondContact O-N 3.07Å |
| 202 | A | 96 | Very high | 92.7 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.7 | -43.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | F100 V104 V146 G198 Y205 L206 | F100-A202 HydrophobicContact CE2-CB 3.92Å; F100-A202 HydrophobicContact CZ-CB 3.85Å; V104-A202 HydrophobicContact CG1-CB 4.32Å; V104-A202 HydrophobicContact CG2-CB 3.86Å; V146-A202 HydrophobicContact CB-CB 4.32Å; V146-A202 HydrophobicContact CG2-CB 4.45Å; G198-A202 WeakPolarHBondContact O-CB 3.45Å; G198-A202 PolarHBondContact O-N 2.71Å; A202-Y205 PolarHBondContact O-N 3.45Å; A202-L206 WeakPolarHBondContact O-CB 3.29Å; A202-L206 VanDerWaalsContact O-CG 3.24Å; A202-L206 WeakPolarHBondContact O-CG 3.45Å; A202-L206 PolarHBondContact O-N 3.49Å |
| 203 | W | 94.4 | Very high | 91.8 | Very high | 12 Ų | 12 | 40.2 Ų | 40.2 | 5% | 0.045 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.4 | -47.5 | 174.6 | 173.4 | 70 | 0 | 0 | 0 | 111.6 | V146 I199 F200 Y205 L206 R207 F208 F224 F226 F229 | V146-W203 HydrophobicContact CG1-CB 4Å; I199-W203 WeakPolarHBondContact O-CB 3.46Å; I199-W203 PolarHBondContact O-N 3.18Å; F200-W203 PolarHBondContact O-N 2.97Å; W203-Y205 VanDerWaalsContact C-N 3.31Å; W203-Y205 PolarHBondContact O-N 3.21Å; W203-L206 PolarHBondContact O-N 3.35Å; W203-R207 HydrophobicContact CZ2-CB 4.48Å; W203-R207 HydrophobicContact CZ2-CG 4.12Å; W203-R207 WeakPolarHBondContact O-CB 3.43Å; W203-R207 PolarHBondContact O-N 3.25Å; W203-F208 HydrophobicContact CH2-CE2 4.01Å; W203-F208 HydrophobicContact CH2-CZ 4.36Å; W203-F208 HydrophobicContact CZ2-CE2 4.42Å; W203-F208 HydrophobicContact CZ3-CE2 4.29Å; W203-F224 AromaticContact CD1-CE1 3.79Å; W203-F224 AromaticContact CD1-CZ 3.88Å; W203-F224 PolarHBondContact NE1-O 3.29Å; W203-F226 HydrophobicContact CB-CD2 4.33Å; W203-F226 HydrophobicContact CD2-CB 3.9Å; W203-F226 AromaticContact CD2-CD2 3.73Å; W203-F226 HydrophobicContact CD2-CD2 3.73Å; W203-F226 HydrophobicContact CD2-CG 4.27Å; W203-F226 HydrophobicContact CE3-CB 4.19Å; W203-F226 AromaticContact CE3-CD2 3.87Å; W203-F226 HydrophobicContact CE3-CD2 3.87Å; W203-F226 HydrophobicContact CE3-CG 4.36Å; W203-F226 AromaticContact CG-CD2 3.92Å; W203-F226 HydrophobicContact CG-CD2 3.92Å; W203-F226 HydrophobicContact CH2-CB 3.92Å; W203-F226 HydrophobicContact CZ2-CB 3.62Å; W203-F226 HydrophobicContact CZ3-CB 4.2Å; W203-F229 HydrophobicContact CB-CE2 4.18Å; W203-F229 HydrophobicContact CB-CZ 3.91Å; W203-F229 AromaticContact CD1-CE1 3.83Å; W203-F229 AromaticContact CD1-CZ 3.32Å; W203-F229 HydrophobicContact CG-CE2 4.24Å; W203-F229 AromaticContact CG-CZ 3.71Å; W203-F229 HydrophobicContact CG-CZ 3.71Å |
| 204 | T | 90.8 | Very high | 91 | Very high | 13 Ų | 13 | 43.5 Ų | 43.5 | 8% | 0.08 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.2 | -44.3 | 178.4 | -56.8 | 0 | 0 | 0 | 0 | 111.1 | F200 I201 F208 F209 L249 | F200-T204 WeakPolarHBondContact O-CB 3.45Å; F200-T204 PolarHBondContact O-N 2.9Å; F200-T204 PolarHBondContact O-OG1 3.31Å; I201-T204 PolarHBondContact O-N 3.4Å; T204-F208 HydrophobicContact CG2-CD2 4.09Å; T204-F208 WeakPolarHBondContact O-CB 3.42Å; T204-F208 WeakPolarHBondContact O-CD2 3.44Å; T204-F208 PolarHBondContact O-N 3.01Å; T204-F209 HydrophobicContact CG2-CE2 4.09Å; T204-L249 HydrophobicContact CG2-CD1 4.12Å |
| 205 | Y | 91.9 | Very high | 90.2 | Very high | 32 Ų | 32 | 46.6 Ų | 46.6 | 13% | 0.125 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.1 | -51.9 | 176.4 | 173.6 | -97.5 | 0 | 0 | 0 | 112.4 | F100 L103 I201 A202 W203 R207 F208 F209 Q210 | F100-Y205 HydrophobicContact CB-CE1 4.27Å; F100-Y205 AromaticContact CD2-CD1 3.47Å; F100-Y205 HydrophobicContact CD2-CD1 3.47Å; F100-Y205 VanDerWaalsContact CD2-CD1 3.47Å; F100-Y205 AromaticContact CD2-CE1 3.59Å; F100-Y205 HydrophobicContact CD2-CE1 3.59Å; F100-Y205 HydrophobicContact CD2-CG 4.48Å; F100-Y205 AromaticContact CE2-CD1 3.95Å; F100-Y205 HydrophobicContact CE2-CD1 3.95Å; F100-Y205 HydrophobicContact CE2-CE1 4.45Å; F100-Y205 HydrophobicContact CG-CE1 4.42Å; L103-Y205 HydrophobicContact CD1-CD2 3.52Å; L103-Y205 HydrophobicContact CD1-CE2 3.74Å; L103-Y205 HydrophobicContact CD1-CG 4.5Å; L103-Y205 HydrophobicContact CD2-CD2 3.64Å; L103-Y205 HydrophobicContact CD2-CE2 4.45Å; L103-Y205 HydrophobicContact CD2-CG 3.82Å; L103-Y205 HydrophobicContact CG-CD2 4.18Å; I201-Y205 WeakPolarHBondContact O-CB 3.43Å; I201-Y205 PolarHBondContact O-N 3.07Å; A202-Y205 PolarHBondContact O-N 3.45Å; W203-Y205 VanDerWaalsContact C-N 3.31Å; W203-Y205 PolarHBondContact O-N 3.21Å; Y205-R207 VanDerWaalsContact C-N 3.33Å; Y205-R207 PolarHBondContact O-N 2.88Å; Y205-F208 PolarHBondContact O-N 3.03Å; Y205-F209 HydrophobicContact CD2-CB 3.69Å; Y205-F209 HydrophobicContact CE2-CB 4.08Å; Y205-F209 HydrophobicContact CG-CB 4.48Å; Y205-F209 CarbonylContact O-C 3.5Å; Y205-F209 WeakPolarHBondContact O-CA 3.44Å; Y205-F209 PolarHBondContact O-N 2.98Å; Y205-Q210 HydrophobicContact CE1-CB 4.26Å; Y205-Q210 PolarHBondContact O-N 3.04Å |
| 206 | L | 91.4 | Very high | 89.4 | Confident | 2 Ų | 2 | 50.8 Ų | 50.8 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.5 | -38.2 | -177.4 | -66.3 | 170.7 | 0 | 0 | 0 | 111.6 | F100 V146 L147 A202 W203 Q210 G218 D219 F224 | F100-L206 HydrophobicContact CD2-CD2 4.26Å; F100-L206 HydrophobicContact CE2-CD1 4.1Å; F100-L206 HydrophobicContact CE2-CD2 4.02Å; F100-L206 HydrophobicContact CE2-CG 3.97Å; F100-L206 HydrophobicContact CZ-CD1 4.39Å; V146-L206 HydrophobicContact CG1-CD1 3.94Å; L147-L206 HydrophobicContact CB-CD1 4.34Å; L147-L206 HydrophobicContact CD1-CD1 4.15Å; L147-L206 HydrophobicContact CD1-CD2 4.18Å; A202-L206 WeakPolarHBondContact O-CB 3.29Å; A202-L206 VanDerWaalsContact O-CG 3.24Å; A202-L206 WeakPolarHBondContact O-CG 3.45Å; A202-L206 PolarHBondContact O-N 3.49Å; W203-L206 PolarHBondContact O-N 3.35Å; L206-Q210 HydrophobicContact CD2-CG 4.48Å; L206-Q210 VanDerWaalsContact CD2-OE1 3.27Å; L206-Q210 PolarHBondContact O-OE1 2.89Å; L206-G218 CarbonylContact O-C 3.56Å; L206-G218 WeakPolarHBondContact O-CA 3.47Å; L206-D219 PolarHBondContact O-N 2.99Å; L206-F224 HydrophobicContact CB-CE1 3.86Å; L206-F224 HydrophobicContact CB-CZ 3.94Å; L206-F224 HydrophobicContact CD1-CZ 4.32Å |
| 207 | R | 87.6 | Confident | 88.7 | Confident | 37 Ų | 37 | 51 Ų | 51 | 14% | 0.14 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -72.2 | -35.2 | -180 | -174.8 | 70.6 | -172.8 | 161.9 | -9.7 | 113.2 | W203 Y205 G218 D219 D221 F224 | W203-R207 HydrophobicContact CZ2-CB 4.48Å; W203-R207 HydrophobicContact CZ2-CG 4.12Å; W203-R207 WeakPolarHBondContact O-CB 3.43Å; W203-R207 PolarHBondContact O-N 3.25Å; Y205-R207 VanDerWaalsContact C-N 3.33Å; Y205-R207 PolarHBondContact O-N 2.88Å; R207-G218 VanDerWaalsContact O-CA 3.27Å; R207-G218 WeakPolarHBondContact O-CA 3.42Å; R207-D219 WeakPolarHBondContact CD-O 3.22Å; R207-D219 VanDerWaalsContact CZ-O 3.27Å; R207-D219 PolarHBondContact NE-O 3.33Å; R207-D219 PolarHBondContact NH1-O 2.95Å; R207-D219 IonicContact NH1-OD1 3.84Å; R207-D219 PolarHBondContact O-N 2.88Å; R207-D221 PolarHBondContact NH1-O 2.98Å; R207-D221 PolarHBondContact NH2-O 3.11Å; R207-F224 HydrophobicContact CB-CD1 4.29Å; R207-F224 HydrophobicContact CB-CE1 4.11Å; R207-F224 WeakPolarHBondContact CD-O 3.4Å |
| 208 | F | 86.6 | Confident | 88.2 | Confident | 30 Ų | 30 | 49.6 Ų | 49.6 | 13% | 0.132 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -127 | -18.7 | -167.6 | -56.5 | -65.9 | 0 | 0 | 0 | 116.4 | W203 T204 Y205 L217 F246 | W203-F208 HydrophobicContact CH2-CE2 4.01Å; W203-F208 HydrophobicContact CH2-CZ 4.36Å; W203-F208 HydrophobicContact CZ2-CE2 4.42Å; W203-F208 HydrophobicContact CZ3-CE2 4.29Å; T204-F208 HydrophobicContact CG2-CD2 4.09Å; T204-F208 WeakPolarHBondContact O-CB 3.42Å; T204-F208 WeakPolarHBondContact O-CD2 3.44Å; T204-F208 PolarHBondContact O-N 3.01Å; Y205-F208 PolarHBondContact O-N 3.03Å; F208-L217 WeakPolarHBondContact O-CD2 3.21Å; F208-L217 VanDerWaalsContact O-CG 3.23Å; F208-L217 WeakPolarHBondContact O-CG 3.42Å; F208-F246 AromaticContact CD1-CE2 3.58Å; F208-F246 HydrophobicContact CD1-CE2 3.58Å; F208-F246 AromaticContact CD1-CZ 3.92Å; F208-F246 HydrophobicContact CD1-CZ 3.92Å; F208-F246 HydrophobicContact CD2-CD2 4.03Å; F208-F246 AromaticContact CD2-CE2 3.72Å; F208-F246 HydrophobicContact CD2-CE2 3.72Å; F208-F246 AromaticContact CE1-CD2 3.87Å; F208-F246 HydrophobicContact CE1-CD2 3.87Å; F208-F246 HydrophobicContact CE1-CE1 4.23Å; F208-F246 AromaticContact CE1-CE2 3.14Å; F208-F246 HydrophobicContact CE1-CE2 3.14Å; F208-F246 AromaticContact CE1-CZ 3.35Å; F208-F246 HydrophobicContact CE1-CZ 3.35Å; F208-F246 AromaticContact CE2-CD2 3.28Å; F208-F246 HydrophobicContact CE2-CD2 3.28Å; F208-F246 AromaticContact CE2-CE2 3.3Å; F208-F246 HydrophobicContact CE2-CE2 3.3Å; F208-F246 HydrophobicContact CE2-CG 4.31Å; F208-F246 HydrophobicContact CE2-CZ 4.32Å; F208-F246 AromaticContact CG-CE2 3.85Å; F208-F246 HydrophobicContact CG-CE2 3.85Å; F208-F246 HydrophobicContact CZ-CD1 4.44Å; F208-F246 AromaticContact CZ-CD2 3.19Å; F208-F246 HydrophobicContact CZ-CD2 3.19Å; F208-F246 HydrophobicContact CZ-CE1 4.28Å; F208-F246 AromaticContact CZ-CE2 2.99Å; F208-F246 HydrophobicContact CZ-CE2 2.99Å; F208-F246 AromaticContact CZ-CG 3.93Å; F208-F246 HydrophobicContact CZ-CG 3.93Å; F208-F246 AromaticContact CZ-CZ 3.59Å; F208-F246 HydrophobicContact CZ-CZ 3.59Å |
| 209 | F | 87.4 | Confident | 87.4 | Confident | 71 Ų | 71 | 50.6 Ų | 50.6 | 31% | 0.311 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.9 | -16.7 | -172 | -64.4 | -82.6 | 0 | 0 | 0 | 114.2 | T204 Y205 R211 L217 I254 C255 | T204-F209 HydrophobicContact CG2-CE2 4.09Å; Y205-F209 HydrophobicContact CD2-CB 3.69Å; Y205-F209 HydrophobicContact CE2-CB 4.08Å; Y205-F209 HydrophobicContact CG-CB 4.48Å; Y205-F209 CarbonylContact O-C 3.5Å; Y205-F209 WeakPolarHBondContact O-CA 3.44Å; Y205-F209 PolarHBondContact O-N 2.98Å; F209-R211 PolarHBondContact O-N 3.28Å; F209-R211 VanDerWaalsContact O-N 3.17Å; F209-L217 WeakPolarHBondContact O-CD1 3.41Å; F209-I254 WeakPolarHBondContact CE1-O 3.38Å; F209-I254 HydrophobicContact CZ-CG2 4.28Å; F209-I254 WeakPolarHBondContact CZ-O 3.42Å; F209-C255 HydrophobicContact CZ-CB 4.48Å |
| 210 | Q | 87.7 | Confident | 86.6 | Confident | 10 Ų | 10 | 52.3 Ų | 52.3 | 5% | 0.047 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 118.4 | 179.2 | 180 | 175.8 | 21.3 | 0 | 0 | 110.4 | Y92 Q150 Y205 L206 G218 | Y92-Q210 PolarHBondContact OH-NE2 3.38Å; Q150-Q210 VanDerWaalsContact NE2-OE1 3.09Å; Y205-Q210 HydrophobicContact CE1-CB 4.26Å; Y205-Q210 PolarHBondContact O-N 3.04Å; L206-Q210 HydrophobicContact CD2-CG 4.48Å; L206-Q210 VanDerWaalsContact CD2-OE1 3.27Å; L206-Q210 PolarHBondContact O-OE1 2.89Å; Q210-G218 WeakPolarHBondContact O-CA 3.33Å; Q210-G218 PolarHBondContact O-N 2.92Å |
| 211 | R | 84 | Confident | 86 | Confident | 204 Ų | 204 | 53.3 Ų | 53.3 | 77% | 0.77 | 29% | 0.286 | S | S | * | . | B | Isolated β-bridge | trans | -85 | 124.1 | 175.9 | -68.1 | -177.1 | 179.1 | 135.6 | -0.3 | 109.7 | F209 L217 | F209-R211 PolarHBondContact O-N 3.28Å; F209-R211 VanDerWaalsContact O-N 3.17Å; R211-L217 HydrophobicContact CG-CD1 3.91Å |
| 212 | H | 81.7 | Confident | 85.2 | Confident | 53 Ų | 53 | 57.7 Ų | 57.7 | 25% | 0.245 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -94.9 | 153.6 | 171.2 | -65.7 | 95 | 0 | 0 | 0 | 110.2 | N214 G215 L216 G218 | H212-N214 WeakPolarHBondContact CB-OD1 3.27Å; H212-N214 PolarHBondContact O-N 3.45Å; H212-G215 PolarHBondContact O-N 2.71Å; H212-G215 VanDerWaalsContact O-N 3.09Å; H212-L216 HydrophobicContact CB-CB 4.5Å; H212-L216 PolarHBondContact N-O 2.97Å; H212-G218 PolarHBondContact CE1-O 3.38Å; H212-G218 PolarHBondContact ND1-O 3.13Å |
| 213 | S | 77.9 | Confident | 84.6 | Confident | 137 Ų | 137 | 61.2 Ų | 61.2 | 96% | 0.958 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -21.4 | 179.2 | 50.9 | 0 | 0 | 0 | 0 | 113.6 | G215 | S213-G215 PolarHBondContact O-N 2.86Š|
| 214 | N | 80.2 | Confident | 84.2 | Confident | 108 Ų | 108 | 60.9 Ų | 60.9 | 58% | 0.578 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | 3.7 | 175.3 | 62.5 | 5 | 0 | 0 | 0 | 113.7 | H212 L216 | H212-N214 WeakPolarHBondContact CB-OD1 3.27Å; H212-N214 PolarHBondContact O-N 3.45Å; N214-L216 VanDerWaalsContact C-N 3.26Å; N214-L216 WeakPolarHBondContact ND2-CD1 3.36Å; N214-L216 PolarHBondContact O-N 3.45Å; N214-L216 VanDerWaalsContact OD1-CB 3.29Å; N214-L216 WeakPolarHBondContact OD1-CB 3.42Å; N214-L216 PolarHBondContact OD1-N 2.95Å |
| 215 | G | 79.5 | Confident | 84.1 | Confident | 69 Ų | 69 | 62.8 Ų | 62.8 | 71% | 0.711 | 34% | 0.344 | S | S | * | . | S | Bend | trans | 81.7 | -4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | H212 S213 | H212-G215 PolarHBondContact O-N 2.71Å; H212-G215 VanDerWaalsContact O-N 3.09Å; S213-G215 PolarHBondContact O-N 2.86Å |
| 216 | L | 80.8 | Confident | 83.8 | Confident | 89 Ų | 89 | 63 Ų | 63 | 47% | 0.466 | 35% | 0.346 | S | S | . | . | trans | -71.6 | 141.2 | 173.9 | -62.7 | -179.5 | 0 | 0 | 0 | 110.8 | H212 N214 | H212-L216 HydrophobicContact CB-CB 4.5Å; H212-L216 PolarHBondContact N-O 2.97Å; N214-L216 VanDerWaalsContact C-N 3.26Å; N214-L216 WeakPolarHBondContact ND2-CD1 3.36Å; N214-L216 PolarHBondContact O-N 3.45Å; N214-L216 VanDerWaalsContact OD1-CB 3.29Å; N214-L216 WeakPolarHBondContact OD1-CB 3.42Å; N214-L216 PolarHBondContact OD1-N 2.95Å | ||
| 217 | L | 83.9 | Confident | 83.6 | Confident | 66 Ų | 66 | 63.3 Ų | 63.3 | 35% | 0.346 | 35% | 0.349 | S | S | . | . | B | Isolated β-bridge | trans | -105.9 | 120.6 | 177.1 | -172 | 71.5 | 0 | 0 | 0 | 109.6 | F208 F209 R211 | F208-L217 WeakPolarHBondContact O-CD2 3.21Å; F208-L217 VanDerWaalsContact O-CG 3.23Å; F208-L217 WeakPolarHBondContact O-CG 3.42Å; F209-L217 WeakPolarHBondContact O-CD1 3.41Å; R211-L217 HydrophobicContact CG-CD1 3.91Å |
| 218 | G | 85.1 | Confident | 83.6 | Confident | 2 Ų | 2 | 62.4 Ų | 62.4 | 2% | 0.021 | 35% | 0.351 | C | S | . | . | S | Bend | trans | 73.4 | 172 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | L206 R207 Q210 H212 | L206-G218 CarbonylContact O-C 3.56Å; L206-G218 WeakPolarHBondContact O-CA 3.47Å; R207-G218 VanDerWaalsContact O-CA 3.27Å; R207-G218 WeakPolarHBondContact O-CA 3.42Å; Q210-G218 WeakPolarHBondContact O-CA 3.33Å; Q210-G218 PolarHBondContact O-N 2.92Å; H212-G218 PolarHBondContact CE1-O 3.38Å; H212-G218 PolarHBondContact ND1-O 3.13Å |
| 219 | D | 82.5 | Confident | 83.7 | Confident | 20 Ų | 20 | 61 Ų | 61 | 11% | 0.107 | 35% | 0.345 | C | S | . | . | trans | -81.1 | 120.2 | 164.5 | -172.9 | -32.1 | 0 | 0 | 0 | 108.2 | Q150 L206 R207 D221 F224 | Q150-D219 PolarHBondContact NE2-OD2 2.99Å; Q150-D219 VanDerWaalsContact NE2-OD2 3.11Å; L206-D219 PolarHBondContact O-N 2.99Å; R207-D219 WeakPolarHBondContact CD-O 3.22Å; R207-D219 VanDerWaalsContact CZ-O 3.27Å; R207-D219 PolarHBondContact NE-O 3.33Å; R207-D219 PolarHBondContact NH1-O 2.95Å; R207-D219 IonicContact NH1-OD1 3.84Å; R207-D219 PolarHBondContact O-N 2.88Å; D219-D221 VanDerWaalsContact OD1-CB 3.29Å; D219-D221 WeakPolarHBondContact OD1-CB 3.17Å; D219-D221 PolarHBondContact OD1-N 3.39Å; D219-F224 HydrophobicContact CB-CD1 3.66Å; D219-F224 HydrophobicContact CB-CE1 4.21Å; D219-F224 HydrophobicContact CB-CG 4.28Å; D219-F224 WeakPolarHBondContact OD2-CG 3.3Å | ||
| 220 | V | 79.3 | Confident | 83.7 | Confident | 47 Ų | 47 | 59.6 Ų | 59.6 | 29% | 0.285 | 34% | 0.339 | S | S | . | . | trans | -101.6 | 6.1 | -178.2 | -66.6 | 0 | 0 | 0 | 0 | 113.1 | R261 | V220-R261 PolarHBondContact O-NH2 2.74Š| ||
| 221 | D | 82.1 | Confident | 83.6 | Confident | 89 Ų | 89 | 61.1 Ų | 61.1 | 48% | 0.476 | 35% | 0.349 | S | S | . | . | trans | -72.4 | 136.5 | -175.1 | -67.1 | -15.2 | 0 | 0 | 0 | 111.4 | R207 D219 S223 F224 | R207-D221 PolarHBondContact NH1-O 2.98Å; R207-D221 PolarHBondContact NH2-O 3.11Å; D219-D221 VanDerWaalsContact OD1-CB 3.29Å; D219-D221 WeakPolarHBondContact OD1-CB 3.17Å; D219-D221 PolarHBondContact OD1-N 3.39Å; D221-S223 PolarHBondContact O-N 3.41Å; D221-S223 VanDerWaalsContact O-N 3.15Å; D221-F224 PolarHBondContact O-N 3.44Å | ||
| 222 | D | 79.2 | Confident | 83.6 | Confident | 121 Ų | 121 | 57.3 Ų | 57.3 | 65% | 0.647 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -17.2 | 179.4 | -61.2 | -40.8 | 0 | 0 | 0 | 112.2 | F224 T225 | D222-F224 VanDerWaalsContact C-N 3.34Å; D222-T225 WeakPolarHBondContact O-CG2 3.49Å |
| 223 | S | 82.6 | Confident | 83.6 | Confident | 73 Ų | 73 | 63 Ų | 63 | 51% | 0.51 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -24 | 172.9 | 69.9 | 0 | 0 | 0 | 0 | 112.8 | R149 D221 T225 | R149-S223 PolarHBondContact NH2-O 2.82Å; D221-S223 PolarHBondContact O-N 3.41Å; D221-S223 VanDerWaalsContact O-N 3.15Å; S223-T225 VanDerWaalsContact C-N 3.33Å; S223-T225 PolarHBondContact O-N 3.38Å |
| 224 | F | 86.3 | Confident | 83.8 | Confident | 5 Ų | 5 | 60.3 Ų | 60.3 | 2% | 0.022 | 35% | 0.345 | C | S | . | . | trans | -95.2 | 41.1 | -176.5 | -165.7 | -111.3 | 0 | 0 | 0 | 113.4 | V146 R149 Q150 W203 L206 R207 D219 D221 D222 | V146-F224 HydrophobicContact CG1-CE2 4.24Å; V146-F224 HydrophobicContact CG1-CZ 3.87Å; R149-F224 HydrophobicContact CG-CE2 4.34Å; Q150-F224 HydrophobicContact CB-CD2 4.4Å; Q150-F224 HydrophobicContact CB-CE2 3.86Å; Q150-F224 HydrophobicContact CB-CZ 4.35Å; Q150-F224 HydrophobicContact CG-CD2 4.35Å; Q150-F224 HydrophobicContact CG-CE2 4.11Å; Q150-F224 HydrophobicContact CG-CZ 4.41Å; W203-F224 AromaticContact CD1-CE1 3.79Å; W203-F224 AromaticContact CD1-CZ 3.88Å; W203-F224 PolarHBondContact NE1-O 3.29Å; L206-F224 HydrophobicContact CB-CE1 3.86Å; L206-F224 HydrophobicContact CB-CZ 3.94Å; L206-F224 HydrophobicContact CD1-CZ 4.32Å; R207-F224 HydrophobicContact CB-CD1 4.29Å; R207-F224 HydrophobicContact CB-CE1 4.11Å; R207-F224 WeakPolarHBondContact CD-O 3.4Å; D219-F224 HydrophobicContact CB-CD1 3.66Å; D219-F224 HydrophobicContact CB-CE1 4.21Å; D219-F224 HydrophobicContact CB-CG 4.28Å; D219-F224 WeakPolarHBondContact OD2-CG 3.3Å; D221-F224 PolarHBondContact O-N 3.44Å; D222-F224 VanDerWaalsContact C-N 3.34Å | ||
| 225 | T | 87.7 | Confident | 83.9 | Confident | 53 Ų | 53 | 55.8 Ų | 55.8 | 33% | 0.325 | 32% | 0.324 | S | S | . | . | trans | -85 | 149.9 | 172.6 | 55.1 | 0 | 0 | 0 | 0 | 111.5 | R149 D222 S223 A227 G228 F229 | R149-T225 PolarHBondContact NH2-O 2.79Å; D222-T225 WeakPolarHBondContact O-CG2 3.49Å; S223-T225 VanDerWaalsContact C-N 3.33Å; S223-T225 PolarHBondContact O-N 3.38Å; T225-A227 VanDerWaalsContact C-N 3.29Å; T225-A227 PolarHBondContact O-N 2.71Å; T225-G228 PolarHBondContact O-N 3.36Å; T225-G228 PolarHBondContact OG1-N 2.72Å; T225-F229 WeakPolarHBondContact O-CD1 3.43Å | ||
| 226 | F | 86.5 | Confident | 84.2 | Confident | 37 Ų | 37 | 56.7 Ų | 56.7 | 16% | 0.162 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -59.9 | -40.9 | 175 | -169.9 | -99.2 | 0 | 0 | 0 | 111.6 | I199 F200 W203 G228 F229 F230 V238 | I199-F226 HydrophobicContact CG2-CE2 4.31Å; F200-F226 HydrophobicContact CD2-CE2 4.28Å; W203-F226 HydrophobicContact CB-CD2 4.33Å; W203-F226 HydrophobicContact CD2-CB 3.9Å; W203-F226 AromaticContact CD2-CD2 3.73Å; W203-F226 HydrophobicContact CD2-CD2 3.73Å; W203-F226 HydrophobicContact CD2-CG 4.27Å; W203-F226 HydrophobicContact CE3-CB 4.19Å; W203-F226 AromaticContact CE3-CD2 3.87Å; W203-F226 HydrophobicContact CE3-CD2 3.87Å; W203-F226 HydrophobicContact CE3-CG 4.36Å; W203-F226 AromaticContact CG-CD2 3.92Å; W203-F226 HydrophobicContact CG-CD2 3.92Å; W203-F226 HydrophobicContact CH2-CB 3.92Å; W203-F226 HydrophobicContact CZ2-CB 3.62Å; W203-F226 HydrophobicContact CZ3-CB 4.2Å; F226-G228 PolarHBondContact O-N 2.97Å; F226-F229 AromaticContact CD2-CD2 3.88Å; F226-F229 HydrophobicContact CD2-CD2 3.88Å; F226-F229 AromaticContact CD2-CE2 3.6Å; F226-F229 HydrophobicContact CD2-CE2 3.6Å; F226-F229 HydrophobicContact CD2-CZ 4.2Å; F226-F229 AromaticContact CE2-CD2 3.96Å; F226-F229 HydrophobicContact CE2-CD2 3.96Å; F226-F229 AromaticContact CE2-CE2 3.81Å; F226-F229 HydrophobicContact CE2-CE2 3.81Å; F226-F229 HydrophobicContact CG-CD2 4.48Å; F226-F229 HydrophobicContact CG-CE2 4.49Å; F226-F229 WeakPolarHBondContact O-CB 3.48Å; F226-F229 WeakPolarHBondContact O-CD1 3.48Å; F226-F229 WeakPolarHBondContact O-CG 3.2Å; F226-F229 PolarHBondContact O-N 2.83Å; F226-F230 HydrophobicContact CD1-CE2 4.17Å; F226-F230 AromaticContact CE1-CE2 3.82Å; F226-F230 HydrophobicContact CE1-CE2 3.82Å; F226-F230 HydrophobicContact CE1-CZ 4.29Å; F226-F230 HydrophobicContact CZ-CE2 4.46Å; F226-V238 HydrophobicContact CD1-CG1 3.69Å; F226-V238 HydrophobicContact CE1-CG1 4.04Å |
| 227 | A | 87.4 | Confident | 84.3 | Confident | 9 Ų | 9 | 56.2 Ų | 56.2 | 7% | 0.074 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -57.4 | -33.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | T225 F229 F230 V238 | T225-A227 VanDerWaalsContact C-N 3.29Å; T225-A227 PolarHBondContact O-N 2.71Å; A227-F229 PolarHBondContact O-N 3.31Å; A227-F229 VanDerWaalsContact O-N 3.08Å; A227-F230 PolarHBondContact O-N 3.42Å; A227-F230 VanDerWaalsContact O-N 3.11Å; A227-V238 HydrophobicContact CB-CB 4.4Å; A227-V238 HydrophobicContact CB-CG1 4.25Å |
| 228 | G | 87.2 | Confident | 84.3 | Confident | 17 Ų | 17 | 54.2 Ų | 54.2 | 18% | 0.175 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -63.7 | -12.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114 | R149 T225 F226 | R149-G228 PolarHBondContact NH1-O 3.22Å; R149-G228 PolarHBondContact NH2-O 3.47Å; T225-G228 PolarHBondContact O-N 3.36Å; T225-G228 PolarHBondContact OG1-N 2.72Å; F226-G228 PolarHBondContact O-N 2.97Å |
| 229 | F | 89 | Confident | 84.3 | Confident | 2 Ų | 2 | 56.7 Ų | 56.7 | 1% | 0.009 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -68.5 | -30.3 | 176.6 | -64 | 10.6 | 0 | 0 | 0 | 110.1 | V146 R149 H169 P171 F172 I199 W203 T225 F226 A227 | V146-F229 HydrophobicContact CG1-CE2 4.46Å; V146-F229 HydrophobicContact CG1-CZ 3.86Å; V146-F229 HydrophobicContact CG2-CE2 4.08Å; V146-F229 HydrophobicContact CG2-CZ 4.28Å; R149-F229 VanDerWaalsContact CD-CD1 3.48Å; R149-F229 VanDerWaalsContact NE-CD1 3.35Å; R149-F229 VanDerWaalsContact NH1-N 3.2Å; H169-F229 WeakPolarHBondContact CA-O 3.38Å; H169-F229 PolarHBondContact ND1-O 3.01Å; P171-F229 HydrophobicContact CB-CD2 3.65Å; P171-F229 HydrophobicContact CB-CE2 4.01Å; P171-F229 HydrophobicContact CB-CG 4.16Å; P171-F229 HydrophobicContact CG-CD2 4.09Å; P171-F229 HydrophobicContact CG-CE2 4.23Å; P171-F229 HydrophobicContact CG-CG 4.28Å; F172-F229 VanDerWaalsContact CB-O 3.24Å; F172-F229 WeakPolarHBondContact CB-O 3.44Å; I199-F229 HydrophobicContact CG2-CD2 4.41Å; I199-F229 HydrophobicContact CG2-CE2 4.04Å; W203-F229 HydrophobicContact CB-CE2 4.18Å; W203-F229 HydrophobicContact CB-CZ 3.91Å; W203-F229 AromaticContact CD1-CE1 3.83Å; W203-F229 AromaticContact CD1-CZ 3.32Å; W203-F229 HydrophobicContact CG-CE2 4.24Å; W203-F229 AromaticContact CG-CZ 3.71Å; W203-F229 HydrophobicContact CG-CZ 3.71Å; T225-F229 WeakPolarHBondContact O-CD1 3.43Å; F226-F229 AromaticContact CD2-CD2 3.88Å; F226-F229 HydrophobicContact CD2-CD2 3.88Å; F226-F229 AromaticContact CD2-CE2 3.6Å; F226-F229 HydrophobicContact CD2-CE2 3.6Å; F226-F229 HydrophobicContact CD2-CZ 4.2Å; F226-F229 AromaticContact CE2-CD2 3.96Å; F226-F229 HydrophobicContact CE2-CD2 3.96Å; F226-F229 AromaticContact CE2-CE2 3.81Å; F226-F229 HydrophobicContact CE2-CE2 3.81Å; F226-F229 HydrophobicContact CG-CD2 4.48Å; F226-F229 HydrophobicContact CG-CE2 4.49Å; F226-F229 WeakPolarHBondContact O-CB 3.48Å; F226-F229 WeakPolarHBondContact O-CD1 3.48Å; F226-F229 WeakPolarHBondContact O-CG 3.2Å; F226-F229 PolarHBondContact O-N 2.83Å; A227-F229 PolarHBondContact O-N 3.31Å; A227-F229 VanDerWaalsContact O-N 3.08Å |
| 230 | F | 87.8 | Confident | 84.2 | Confident | 40 Ų | 40 | 60.7 Ų | 60.7 | 18% | 0.175 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -88.7 | 154.8 | -173.7 | -64.7 | -102.5 | 0 | 0 | 0 | 111.1 | H169 F172 F226 A227 L234 V238 | H169-F230 PolarHBondContact CE1-O 3.41Å; H169-F230 PolarHBondContact ND1-O 2.88Å; F172-F230 AromaticContact CD2-CD1 3.32Å; F172-F230 HydrophobicContact CD2-CD1 3.32Å; F172-F230 AromaticContact CD2-CE1 3.34Å; F172-F230 HydrophobicContact CD2-CE1 3.34Å; F172-F230 HydrophobicContact CD2-CG 4.08Å; F172-F230 HydrophobicContact CD2-CZ 4.08Å; F172-F230 AromaticContact CE2-CD1 3.43Å; F172-F230 HydrophobicContact CE2-CD1 3.43Å; F172-F230 VanDerWaalsContact CE2-CD1 3.43Å; F172-F230 AromaticContact CE2-CE1 3.5Å; F172-F230 HydrophobicContact CE2-CE1 3.5Å; F172-F230 VanDerWaalsContact CE2-CE1 3.5Å; F172-F230 HydrophobicContact CG-CD1 4.14Å; F172-F230 HydrophobicContact CG-CE1 4.45Å; F172-F230 HydrophobicContact CZ-CD1 4.32Å; F226-F230 HydrophobicContact CD1-CE2 4.17Å; F226-F230 AromaticContact CE1-CE2 3.82Å; F226-F230 HydrophobicContact CE1-CE2 3.82Å; F226-F230 HydrophobicContact CE1-CZ 4.29Å; F226-F230 HydrophobicContact CZ-CE2 4.46Å; A227-F230 PolarHBondContact O-N 3.42Å; A227-F230 VanDerWaalsContact O-N 3.11Å; F230-L234 HydrophobicContact CB-CB 3.85Å; F230-L234 HydrophobicContact CD1-CB 4.16Å; F230-L234 HydrophobicContact CD1-CD1 4.26Å; F230-L234 HydrophobicContact CG-CB 4.4Å; F230-V238 HydrophobicContact CD1-CG2 3.91Å; F230-V238 HydrophobicContact CD2-CB 4.15Å; F230-V238 HydrophobicContact CD2-CG1 3.68Å; F230-V238 HydrophobicContact CD2-CG2 3.94Å; F230-V238 HydrophobicContact CE1-CG2 3.94Å; F230-V238 HydrophobicContact CE2-CB 4.33Å; F230-V238 HydrophobicContact CE2-CG1 3.53Å; F230-V238 HydrophobicContact CE2-CG2 4.02Å; F230-V238 HydrophobicContact CG-CB 4.48Å; F230-V238 HydrophobicContact CG-CG1 4.46Å; F230-V238 HydrophobicContact CG-CG2 3.9Å; F230-V238 HydrophobicContact CZ-CG1 4.16Å; F230-V238 HydrophobicContact CZ-CG2 4.01Å |
| 231 | P | 85.3 | Confident | 84.4 | Confident | 42 Ų | 42 | 63.3 Ų | 63.3 | 27% | 0.273 | 37% | 0.368 | S | S | . | . | trans | -53.5 | 154.5 | 167.2 | -23.4 | 33.3 | 0 | 0 | 0 | 111.3 | F172 H233 L234 G235 | F172-P231 HydrophobicContact CD1-CG 4.26Å; F172-P231 HydrophobicContact CE1-CG 3.96Å; P231-H233 PolarHBondContact O-N 3.32Å; P231-L234 PolarHBondContact O-N 2.86Å; P231-G235 PolarHBondContact O-N 3.23Å | ||
| 232 | N | 83.1 | Confident | 84.3 | Confident | 124 Ų | 124 | 59.7 Ų | 59.7 | 66% | 0.663 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | -31.9 | -173.7 | -64.7 | -14.3 | 0 | 0 | 0 | 113.6 | L234 G235 | N232-L234 VanDerWaalsContact C-N 3.34Å; N232-L234 PolarHBondContact O-N 2.83Å; N232-G235 PolarHBondContact O-N 3.37Å |
| 233 | H | 81.9 | Confident | 84.4 | Confident | 172 Ų | 172 | 56.6 Ų | 56.6 | 80% | 0.796 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -30.8 | 178.7 | -46.5 | -61.1 | 0 | 0 | 0 | 113.7 | P231 | P231-H233 PolarHBondContact O-N 3.32Š|
| 234 | L | 82.8 | Confident | 84.2 | Confident | 81 Ų | 81 | 55.5 Ų | 55.5 | 42% | 0.424 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | -5 | -178.8 | -68.8 | 176.2 | 0 | 0 | 0 | 112.5 | F172 F230 P231 N232 P237 V238 | F172-L234 HydrophobicContact CE2-CD1 4.4Å; F172-L234 HydrophobicContact CZ-CD1 4.03Å; F230-L234 HydrophobicContact CB-CB 3.85Å; F230-L234 HydrophobicContact CD1-CB 4.16Å; F230-L234 HydrophobicContact CD1-CD1 4.26Å; F230-L234 HydrophobicContact CG-CB 4.4Å; P231-L234 PolarHBondContact O-N 2.86Å; N232-L234 VanDerWaalsContact C-N 3.34Å; N232-L234 PolarHBondContact O-N 2.83Å; L234-P237 WeakPolarHBondContact O-CD 3.19Å; L234-V238 WeakPolarHBondContact O-CB 3.43Å; L234-V238 WeakPolarHBondContact O-CG2 3.24Å; L234-V238 PolarHBondContact O-N 3.08Å |
| 235 | G | 82.3 | Confident | 83.9 | Confident | 14 Ų | 14 | 56.9 Ų | 56.9 | 14% | 0.144 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -58.3 | -55 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | P231 N232 V238 S239 | P231-G235 PolarHBondContact O-N 3.23Å; N232-G235 PolarHBondContact O-N 3.37Å; G235-V238 PolarHBondContact O-N 3.11Å; G235-S239 WeakPolarHBondContact O-CB 3.46Å; G235-S239 PolarHBondContact O-N 3.42Å |
| 236 | P | 84.7 | Confident | 83.4 | Confident | 88 Ų | 88 | 55.6 Ų | 55.6 | 57% | 0.571 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -61.3 | -47.5 | -174.1 | -20.5 | 30 | 0 | 0 | 0 | 114.5 | V238 S239 V240 | P236-V238 VanDerWaalsContact C-N 3.32Å; P236-V238 PolarHBondContact O-N 3.31Å; P236-S239 WeakPolarHBondContact O-CB 3.19Å; P236-S239 PolarHBondContact O-N 3.23Å; P236-V240 PolarHBondContact O-N 3.15Å |
| 237 | P | 83.8 | Confident | 83 | Confident | 79 Ų | 79 | 58.1 Ų | 58.1 | 51% | 0.513 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60 | -41.9 | 177.1 | -24.2 | 34.4 | 0 | 0 | 0 | 112.7 | L234 S239 V240 V241 | L234-P237 WeakPolarHBondContact O-CD 3.19Å; P237-S239 VanDerWaalsContact C-N 3.32Å; P237-S239 PolarHBondContact O-N 3.06Å; P237-V240 PolarHBondContact O-N 3.01Å; P237-V241 PolarHBondContact O-N 3.5Å |
| 238 | V | 84.3 | Confident | 82.7 | Confident | 24 Ų | 24 | 61.6 Ų | 61.6 | 15% | 0.145 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -68.7 | -33.2 | 178.9 | 176.2 | 0 | 0 | 0 | 0 | 111.4 | F226 A227 F230 L234 G235 P236 V240 V241 S242 | F226-V238 HydrophobicContact CD1-CG1 3.69Å; F226-V238 HydrophobicContact CE1-CG1 4.04Å; A227-V238 HydrophobicContact CB-CB 4.4Å; A227-V238 HydrophobicContact CB-CG1 4.25Å; F230-V238 HydrophobicContact CD1-CG2 3.91Å; F230-V238 HydrophobicContact CD2-CB 4.15Å; F230-V238 HydrophobicContact CD2-CG1 3.68Å; F230-V238 HydrophobicContact CD2-CG2 3.94Å; F230-V238 HydrophobicContact CE1-CG2 3.94Å; F230-V238 HydrophobicContact CE2-CB 4.33Å; F230-V238 HydrophobicContact CE2-CG1 3.53Å; F230-V238 HydrophobicContact CE2-CG2 4.02Å; F230-V238 HydrophobicContact CG-CB 4.48Å; F230-V238 HydrophobicContact CG-CG1 4.46Å; F230-V238 HydrophobicContact CG-CG2 3.9Å; F230-V238 HydrophobicContact CZ-CG1 4.16Å; F230-V238 HydrophobicContact CZ-CG2 4.01Å; L234-V238 WeakPolarHBondContact O-CB 3.43Å; L234-V238 WeakPolarHBondContact O-CG2 3.24Å; L234-V238 PolarHBondContact O-N 3.08Å; G235-V238 PolarHBondContact O-N 3.11Å; P236-V238 VanDerWaalsContact C-N 3.32Å; P236-V238 PolarHBondContact O-N 3.31Å; V238-V240 VanDerWaalsContact C-N 3.3Å; V238-V240 PolarHBondContact O-N 2.77Å; V238-V241 PolarHBondContact O-N 2.73Å; V238-S242 VanDerWaalsContact O-CB 3.25Å; V238-S242 WeakPolarHBondContact O-CB 3.39Å; V238-S242 PolarHBondContact O-N 3Å; V238-S242 PolarHBondContact O-OG 2.96Å |
| 239 | S | 83.7 | Confident | 82.2 | Confident | 53 Ų | 53 | 62.2 Ų | 62.2 | 37% | 0.371 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -59.9 | -42.2 | 176.2 | -169.7 | 0 | 0 | 0 | 0 | 111.6 | G235 P236 P237 S242 S243 | G235-S239 WeakPolarHBondContact O-CB 3.46Å; G235-S239 PolarHBondContact O-N 3.42Å; P236-S239 WeakPolarHBondContact O-CB 3.19Å; P236-S239 PolarHBondContact O-N 3.23Å; P237-S239 VanDerWaalsContact C-N 3.32Å; P237-S239 PolarHBondContact O-N 3.06Å; S239-S242 WeakPolarHBondContact CA-OG 3.45Å; S239-S242 PolarHBondContact O-OG 3Å; S239-S243 WeakPolarHBondContact O-CB 3.21Å; S239-S243 PolarHBondContact O-N 3.41Å; S239-S243 PolarHBondContact O-OG 3.45Å |
| 240 | V | 82.4 | Confident | 81.7 | Confident | 105 Ų | 105 | 63.7 Ų | 63.7 | 64% | 0.636 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -63 | -49 | 176.5 | 179.3 | 0 | 0 | 0 | 0 | 111 | P236 P237 V238 A244 | P236-V240 PolarHBondContact O-N 3.15Å; P237-V240 PolarHBondContact O-N 3.01Å; V238-V240 VanDerWaalsContact C-N 3.3Å; V238-V240 PolarHBondContact O-N 2.77Å; V240-A244 WeakPolarHBondContact O-CB 3.23Å; V240-A244 PolarHBondContact O-N 3.01Å |
| 241 | V | 81.6 | Confident | 81.2 | Confident | 102 Ų | 102 | 71.9 Ų | 71.9 | 62% | 0.618 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -65.3 | -46.2 | -178.8 | 176.6 | 0 | 0 | 0 | 0 | 111.8 | P237 V238 S243 A244 A245 | P237-V241 PolarHBondContact O-N 3.5Å; V238-V241 PolarHBondContact O-N 2.73Å; V241-S243 PolarHBondContact O-N 2.66Å; V241-A244 PolarHBondContact O-N 2.89Å; V241-A245 PolarHBondContact O-N 3.32Å |
| 242 | S | 81 | Confident | 81 | Confident | 13 Ų | 13 | 75.1 Ų | 75.1 | 9% | 0.091 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -67.1 | -37 | -178.4 | 57.8 | 0 | 0 | 0 | 0 | 112.2 | V238 S239 A245 F246 | V238-S242 VanDerWaalsContact O-CB 3.25Å; V238-S242 WeakPolarHBondContact O-CB 3.39Å; V238-S242 PolarHBondContact O-N 3Å; V238-S242 PolarHBondContact O-OG 2.96Å; S239-S242 WeakPolarHBondContact CA-OG 3.45Å; S239-S242 PolarHBondContact O-OG 3Å; S242-A245 PolarHBondContact O-N 3.17Å; S242-F246 WeakPolarHBondContact O-CB 3.49Å; S242-F246 PolarHBondContact O-N 3.13Å |
| 243 | S | 81.2 | Confident | 80.7 | Confident | 55 Ų | 55 | 76.4 Ų | 76.4 | 39% | 0.385 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -66.3 | -40.3 | 172.7 | -58.8 | 0 | 0 | 0 | 0 | 111.9 | S239 V241 F246 N247 | S239-S243 WeakPolarHBondContact O-CB 3.21Å; S239-S243 PolarHBondContact O-N 3.41Å; S239-S243 PolarHBondContact O-OG 3.45Å; V241-S243 PolarHBondContact O-N 2.66Å; S243-F246 PolarHBondContact O-N 3.31Å; S243-N247 WeakPolarHBondContact O-CB 3.39Å; S243-N247 PolarHBondContact O-N 2.92Å; S243-N247 PolarHBondContact O-ND2 2.98Å |
| 244 | A | 78.9 | Confident | 80.4 | Confident | 50 Ų | 50 | 72.5 Ų | 72.5 | 41% | 0.413 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -62.5 | -46.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | V240 V241 F246 N247 V248 | V240-A244 WeakPolarHBondContact O-CB 3.23Å; V240-A244 PolarHBondContact O-N 3.01Å; V241-A244 PolarHBondContact O-N 2.89Å; A244-F246 VanDerWaalsContact C-N 3.33Å; A244-F246 PolarHBondContact O-N 3.4Å; A244-N247 PolarHBondContact O-N 2.95Å; A244-V248 WeakPolarHBondContact O-CG2 3.26Å; A244-V248 PolarHBondContact O-N 3.12Å |
| 245 | A | 78.8 | Confident | 79.8 | Confident | 34 Ų | 34 | 68.9 Ų | 68.9 | 28% | 0.281 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -59.6 | -43.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | F200 V241 S242 V248 L249 | F200-A245 HydrophobicContact CZ-CB 4.33Å; V241-A245 PolarHBondContact O-N 3.32Å; S242-A245 PolarHBondContact O-N 3.17Å; A245-V248 PolarHBondContact O-N 3.3Å; A245-L249 WeakPolarHBondContact O-CG 3.17Å; A245-L249 PolarHBondContact O-N 2.84Å |
| 246 | F | 77.8 | Confident | 79.3 | Confident | 27 Ų | 27 | 75.6 Ų | 75.6 | 12% | 0.118 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -62 | -45 | 175.6 | 177.6 | -109.7 | 0 | 0 | 0 | 112.4 | F208 S242 S243 A244 V248 L249 V250 C255 P258 | F208-F246 AromaticContact CD1-CE2 3.58Å; F208-F246 HydrophobicContact CD1-CE2 3.58Å; F208-F246 AromaticContact CD1-CZ 3.92Å; F208-F246 HydrophobicContact CD1-CZ 3.92Å; F208-F246 HydrophobicContact CD2-CD2 4.03Å; F208-F246 AromaticContact CD2-CE2 3.72Å; F208-F246 HydrophobicContact CD2-CE2 3.72Å; F208-F246 AromaticContact CE1-CD2 3.87Å; F208-F246 HydrophobicContact CE1-CD2 3.87Å; F208-F246 HydrophobicContact CE1-CE1 4.23Å; F208-F246 AromaticContact CE1-CE2 3.14Å; F208-F246 HydrophobicContact CE1-CE2 3.14Å; F208-F246 AromaticContact CE1-CZ 3.35Å; F208-F246 HydrophobicContact CE1-CZ 3.35Å; F208-F246 AromaticContact CE2-CD2 3.28Å; F208-F246 HydrophobicContact CE2-CD2 3.28Å; F208-F246 AromaticContact CE2-CE2 3.3Å; F208-F246 HydrophobicContact CE2-CE2 3.3Å; F208-F246 HydrophobicContact CE2-CG 4.31Å; F208-F246 HydrophobicContact CE2-CZ 4.32Å; F208-F246 AromaticContact CG-CE2 3.85Å; F208-F246 HydrophobicContact CG-CE2 3.85Å; F208-F246 HydrophobicContact CZ-CD1 4.44Å; F208-F246 AromaticContact CZ-CD2 3.19Å; F208-F246 HydrophobicContact CZ-CD2 3.19Å; F208-F246 HydrophobicContact CZ-CE1 4.28Å; F208-F246 AromaticContact CZ-CE2 2.99Å; F208-F246 HydrophobicContact CZ-CE2 2.99Å; F208-F246 AromaticContact CZ-CG 3.93Å; F208-F246 HydrophobicContact CZ-CG 3.93Å; F208-F246 AromaticContact CZ-CZ 3.59Å; F208-F246 HydrophobicContact CZ-CZ 3.59Å; S242-F246 WeakPolarHBondContact O-CB 3.49Å; S242-F246 PolarHBondContact O-N 3.13Å; S243-F246 PolarHBondContact O-N 3.31Å; A244-F246 VanDerWaalsContact C-N 3.33Å; A244-F246 PolarHBondContact O-N 3.4Å; F246-V248 VanDerWaalsContact C-N 3.26Å; F246-V248 PolarHBondContact O-N 2.86Å; F246-L249 WeakPolarHBondContact O-CB 3.33Å; F246-L249 PolarHBondContact O-N 3.22Å; F246-V250 HydrophobicContact CD1-CG2 4.11Å; F246-V250 HydrophobicContact CD2-CG2 4.2Å; F246-V250 HydrophobicContact CE1-CG2 3.57Å; F246-V250 HydrophobicContact CE2-CG2 3.65Å; F246-V250 HydrophobicContact CG-CG2 4.41Å; F246-V250 HydrophobicContact CZ-CG2 3.32Å; F246-V250 WeakPolarHBondContact O-CG2 3.2Å; F246-V250 PolarHBondContact O-N 2.94Å; F246-C255 HydrophobicContact CE2-CB 3.85Å; F246-P258 HydrophobicContact CE1-CG 4.49Å; F246-P258 HydrophobicContact CZ-CG 4.49Å |
| 247 | N | 78.7 | Confident | 78.4 | Confident | 90 Ų | 90 | 75.9 Ų | 75.9 | 48% | 0.481 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -61.3 | -35.8 | 177.7 | -72.9 | -26 | 0 | 0 | 0 | 112 | S243 A244 R251 | S243-N247 WeakPolarHBondContact O-CB 3.39Å; S243-N247 PolarHBondContact O-N 2.92Å; S243-N247 PolarHBondContact O-ND2 2.98Å; A244-N247 PolarHBondContact O-N 2.95Å; N247-R251 WeakPolarHBondContact O-CB 3.49Å; N247-R251 VanDerWaalsContact O-CG 3.23Å; N247-R251 WeakPolarHBondContact O-CG 3.4Å; N247-R251 PolarHBondContact O-N 3.18Å |
| 248 | V | 79.8 | Confident | 77.5 | Confident | 81 Ų | 81 | 76 Ų | 76 | 49% | 0.491 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -63.8 | -46.5 | 171.8 | 173.1 | 0 | 0 | 0 | 0 | 110.7 | A244 A245 F246 V250 R251 L252 | A244-V248 WeakPolarHBondContact O-CG2 3.26Å; A244-V248 PolarHBondContact O-N 3.12Å; A245-V248 PolarHBondContact O-N 3.3Å; F246-V248 VanDerWaalsContact C-N 3.26Å; F246-V248 PolarHBondContact O-N 2.86Å; V248-V250 VanDerWaalsContact C-N 3.33Å; V248-V250 PolarHBondContact O-N 3.37Å; V248-R251 PolarHBondContact O-N 3.38Å; V248-L252 HydrophobicContact CG1-CD1 4.06Å; V248-L252 HydrophobicContact CG1-CG 4.43Å; V248-L252 WeakPolarHBondContact O-CG 3.48Å; V248-L252 PolarHBondContact O-N 3.45Å |
| 249 | L | 77.9 | Confident | 76.4 | Confident | 30 Ų | 30 | 79.1 Ų | 79.1 | 16% | 0.157 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -62.5 | -37.3 | 178.4 | -68.2 | 172.3 | 0 | 0 | 0 | 113.2 | F200 T204 A245 F246 L252 I254 C255 | F200-L249 HydrophobicContact CE1-CD1 4.33Å; F200-L249 HydrophobicContact CZ-CD1 4.19Å; T204-L249 HydrophobicContact CG2-CD1 4.12Å; A245-L249 WeakPolarHBondContact O-CG 3.17Å; A245-L249 PolarHBondContact O-N 2.84Å; F246-L249 WeakPolarHBondContact O-CB 3.33Å; F246-L249 PolarHBondContact O-N 3.22Å; L249-L252 PolarHBondContact O-N 3.22Å; L249-I254 HydrophobicContact CD2-CD1 4Å; L249-I254 WeakPolarHBondContact O-CB 3.29Å; L249-I254 PolarHBondContact O-N 3.4Å; L249-I254 VanDerWaalsContact O-N 3.07Å; L249-C255 HydrophobicContact CB-CB 4.37Å; L249-C255 PolarHBondContact O-N 3.49Å |
| 250 | V | 77.2 | Confident | 75.2 | Confident | 33 Ų | 33 | 83.8 Ų | 83.8 | 20% | 0.2 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -67.7 | -42.4 | 174.2 | 174.4 | 0 | 0 | 0 | 0 | 110.7 | F246 V248 L252 N253 C255 | F246-V250 HydrophobicContact CD1-CG2 4.11Å; F246-V250 HydrophobicContact CD2-CG2 4.2Å; F246-V250 HydrophobicContact CE1-CG2 3.57Å; F246-V250 HydrophobicContact CE2-CG2 3.65Å; F246-V250 HydrophobicContact CG-CG2 4.41Å; F246-V250 HydrophobicContact CZ-CG2 3.32Å; F246-V250 WeakPolarHBondContact O-CG2 3.2Å; F246-V250 PolarHBondContact O-N 2.94Å; V248-V250 VanDerWaalsContact C-N 3.33Å; V248-V250 PolarHBondContact O-N 3.37Å; V250-L252 VanDerWaalsContact C-N 3.27Å; V250-L252 PolarHBondContact O-N 3.48Å; V250-N253 WeakPolarHBondContact O-CA 3.4Å; V250-N253 PolarHBondContact O-N 2.99Å; V250-C255 HydrophobicContact CG2-CB 3.76Å |
| 251 | R | 78.5 | Confident | 74 | Confident | 212 Ų | 212 | 86.6 Ų | 86.6 | 80% | 0.8 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -63.2 | -32.7 | 176.1 | -76.9 | 177.4 | 178.5 | -164.8 | 0.3 | 112.9 | N247 V248 N253 | N247-R251 WeakPolarHBondContact O-CB 3.49Å; N247-R251 VanDerWaalsContact O-CG 3.23Å; N247-R251 WeakPolarHBondContact O-CG 3.4Å; N247-R251 PolarHBondContact O-N 3.18Å; V248-R251 PolarHBondContact O-N 3.38Å; R251-N253 PolarHBondContact O-N 3.13Å |
| 252 | L | 80.7 | Confident | 72.2 | Confident | 111 Ų | 111 | 89.5 Ų | 89.5 | 58% | 0.581 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | 3.8 | 173.1 | -66.6 | 175.5 | 0 | 0 | 0 | 113 | V248 L249 V250 I254 | V248-L252 HydrophobicContact CG1-CD1 4.06Å; V248-L252 HydrophobicContact CG1-CG 4.43Å; V248-L252 WeakPolarHBondContact O-CG 3.48Å; V248-L252 PolarHBondContact O-N 3.45Å; L249-L252 PolarHBondContact O-N 3.22Å; V250-L252 VanDerWaalsContact C-N 3.27Å; V250-L252 PolarHBondContact O-N 3.48Å; L252-I254 HydrophobicContact CB-CD1 3.89Å; L252-I254 HydrophobicContact CB-CG1 3.91Å; L252-I254 HydrophobicContact CD1-CD1 4.06Å; L252-I254 PolarHBondContact O-N 2.9Å |
| 253 | N | 76.9 | Confident | 70.7 | Confident | 151 Ų | 151 | 93.9 Ų | 93.9 | 81% | 0.807 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 18.1 | -173.3 | -65.7 | -51 | 0 | 0 | 0 | 114 | V250 R251 | V250-N253 WeakPolarHBondContact O-CA 3.4Å; V250-N253 PolarHBondContact O-N 2.99Å; R251-N253 PolarHBondContact O-N 3.13Å |
| 254 | I | 75.6 | Confident | 69 | Low | 90 Ų | 90 | 96.8 Ų | 96.8 | 46% | 0.462 | 52% | 0.515 | S | S | . | . | S | Bend | trans | -72.8 | -52.7 | 174.3 | -62 | 173 | 0 | 0 | 0 | 107.4 | F209 L249 L252 | F209-I254 WeakPolarHBondContact CE1-O 3.38Å; F209-I254 HydrophobicContact CZ-CG2 4.28Å; F209-I254 WeakPolarHBondContact CZ-O 3.42Å; L249-I254 HydrophobicContact CD2-CD1 4Å; L249-I254 WeakPolarHBondContact O-CB 3.29Å; L249-I254 PolarHBondContact O-N 3.4Å; L249-I254 VanDerWaalsContact O-N 3.07Å; L252-I254 HydrophobicContact CB-CD1 3.89Å; L252-I254 HydrophobicContact CB-CG1 3.91Å; L252-I254 HydrophobicContact CD1-CD1 4.06Å; L252-I254 PolarHBondContact O-N 2.9Å |
| 255 | C | 70.7 | Confident | 67.6 | Low | 4 Ų | 4 | 96 Ų | 96 | 3% | 0.027 | 51% | 0.511 | C | S | . | . | S | Bend | trans | -95.5 | 139.6 | 178 | -65.5 | 0 | 0 | 0 | 0 | 111.4 | F209 F246 L249 V250 | F209-C255 HydrophobicContact CZ-CB 4.48Å; F246-C255 HydrophobicContact CE2-CB 3.85Å; L249-C255 HydrophobicContact CB-CB 4.37Å; L249-C255 PolarHBondContact O-N 3.49Å; V250-C255 HydrophobicContact CG2-CB 3.76Å |
| 256 | K | 70.1 | Confident | 66 | Low | 155 Ų | 155 | 98.7 Ų | 98.7 | 67% | 0.674 | 53% | 0.526 | S | S | * | . | P | Polyproline II helix | trans | -78 | 145.4 | 167.5 | -65.3 | -175.1 | -179.6 | -173 | 0 | 109.5 | ||
| 257 | P | 66 | Low | 64.7 | Low | 94 Ų | 94 | 103.2 Ų | 103.2 | 61% | 0.61 | 56% | 0.559 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 147.7 | 170.5 | 24.2 | -31.9 | 0 | 0 | 0 | 109.7 | ||
| 258 | P | 64.8 | Low | 63.6 | Low | 81 Ų | 81 | 104.4 Ų | 104.4 | 53% | 0.526 | 57% | 0.574 | S | S | . | * | P | Polyproline II helix | trans | -53.8 | 142.5 | 177.5 | -20.5 | 29.7 | 0 | 0 | 0 | 110.6 | F246 I260 | F246-P258 HydrophobicContact CE1-CG 4.49Å; F246-P258 HydrophobicContact CZ-CG 4.49Å; P258-I260 PolarHBondContact O-N 3.05Å |
| 259 | P | 61.5 | Low | 62 | Low | 90 Ų | 90 | 105.9 Ų | 105.9 | 58% | 0.584 | 58% | 0.583 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 129.6 | 171.9 | 21.8 | -29 | 0 | 0 | 0 | 109.3 | R261 | P259-R261 PolarHBondContact O-N 2.85Å; P259-R261 VanDerWaalsContact O-N 3.13Å |
| 260 | I | 59.6 | Low | 60.5 | Low | 151 Ų | 151 | 107.7 Ų | 107.7 | 77% | 0.774 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 118.3 | 172.4 | -59.3 | 172.1 | 0 | 0 | 0 | 106.2 | P258 Q262 | P258-I260 PolarHBondContact O-N 3.05Å; I260-Q262 VanDerWaalsContact C-N 3.26Å; I260-Q262 PolarHBondContact O-N 3.26Å |
| 261 | R | 56.1 | Low | 58.8 | Low | 164 Ų | 164 | 110.7 Ų | 110.7 | 62% | 0.619 | 62% | 0.617 | S | S | * | * | trans | -64.7 | 95.1 | 167.4 | -67.4 | -172.9 | -169.8 | -172.9 | 7.2 | 106.7 | V220 P259 V263 | V220-R261 PolarHBondContact O-NH2 2.74Å; P259-R261 PolarHBondContact O-N 2.85Å; P259-R261 VanDerWaalsContact O-N 3.13Å; R261-V263 VanDerWaalsContact C-N 3.33Å; R261-V263 PolarHBondContact O-N 3.25Å | ||
| 262 | Q | 43.8 | Very low | 57.2 | Low | 163 Ų | 163 | 108.3 Ų | 108.3 | 76% | 0.762 | 61% | 0.613 | S | S | * | * | trans | -65.8 | 103.5 | 161.5 | -68.9 | -169.2 | -17.6 | 0 | 0 | 105.4 | I260 S264 | I260-Q262 VanDerWaalsContact C-N 3.26Å; I260-Q262 PolarHBondContact O-N 3.26Å; Q262-S264 PolarHBondContact O-N 2.97Å | ||
| 263 | V | 50.5 | Low | 55.4 | Low | 106 Ų | 106 | 108.9 Ų | 108.9 | 64% | 0.642 | 62% | 0.621 | S | S | * | * | trans | -67.6 | 86.8 | 166.3 | -179.7 | 0 | 0 | 0 | 0 | 105.2 | R261 G265 V270 | R261-V263 VanDerWaalsContact C-N 3.33Å; R261-V263 PolarHBondContact O-N 3.25Å; V263-G265 PolarHBondContact O-N 2.91Å; V263-V270 HydrophobicContact CG1-CG2 4.36Å | ||
| 264 | S | 45 | Very low | 53.7 | Low | 116 Ų | 116 | 107.5 Ų | 107.5 | 81% | 0.811 | 61% | 0.612 | S | S | * | * | trans | -75 | 57.9 | 168.7 | -52.8 | 0 | 0 | 0 | 0 | 108.6 | Q262 | Q262-S264 PolarHBondContact O-N 2.97Š| ||
| 265 | G | 49.1 | Very low | 51.8 | Low | 32 Ų | 32 | 109.2 Ų | 109.2 | 33% | 0.33 | 62% | 0.623 | S | S | . | * | S | Bend | trans | -114.8 | 143 | 164.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | V263 | V263-G265 PolarHBondContact O-N 2.91Š|
| 266 | P | 46.2 | Very low | 50.9 | Low | 92 Ų | 92 | 115.4 Ų | 115.4 | 60% | 0.597 | 65% | 0.654 | S | S | * | * | trans | -52.9 | 143.5 | 176.5 | 21.3 | -30.2 | 0 | 0 | 0 | 109.4 | S268 V269 | P266-S268 PolarHBondContact O-N 3.13Å; P266-V269 PolarHBondContact O-N 3.33Å | ||
| 267 | P | 50.9 | Low | 49.6 | Very low | 122 Ų | 122 | 116 Ų | 116 | 79% | 0.792 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.4 | -4.2 | -169 | 19.5 | -31.3 | 0 | 0 | 0 | 115.2 | ||
| 268 | S | 55.2 | Low | 48.6 | Very low | 114 Ų | 114 | 116.9 Ų | 116.9 | 80% | 0.797 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | -8.8 | 179.1 | -48.1 | 0 | 0 | 0 | 0 | 115.6 | P266 | P266-S268 PolarHBondContact O-N 3.13Š|
| 269 | V | 45.3 | Very low | 47.3 | Very low | 113 Ų | 113 | 117.7 Ų | 117.7 | 69% | 0.685 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -109.9 | 3.2 | 179.5 | -155.7 | 0 | 0 | 0 | 0 | 113.2 | P266 S271 | P266-V269 PolarHBondContact O-N 3.33Å; V269-S271 PolarHBondContact O-N 2.82Å |
| 270 | V | 46.2 | Very low | 46.5 | Very low | 67 Ų | 67 | 115.9 Ų | 115.9 | 41% | 0.406 | 65% | 0.651 | S | S | . | * | trans | -83.9 | 67.9 | 166.6 | -162.8 | 0 | 0 | 0 | 0 | 108.3 | V263 F272 | V263-V270 HydrophobicContact CG1-CG2 4.36Å; V270-F272 HydrophobicContact CB-CE2 4.21Å; V270-F272 HydrophobicContact CG1-CD2 3.75Å; V270-F272 HydrophobicContact CG1-CE1 4.15Å; V270-F272 HydrophobicContact CG1-CE2 3.22Å; V270-F272 HydrophobicContact CG1-CG 4.41Å; V270-F272 HydrophobicContact CG1-CZ 3.45Å; V270-F272 VanDerWaalsContact CG1-CZ 3.45Å; V270-F272 PolarHBondContact O-N 3.4Å | ||
| 271 | S | 42.4 | Very low | 46 | Very low | 96 Ų | 96 | 115.9 Ų | 115.9 | 67% | 0.671 | 65% | 0.648 | S | S | * | * | trans | -68.5 | 88.7 | 167.5 | 53.2 | 0 | 0 | 0 | 0 | 108 | V269 T273 | V269-S271 PolarHBondContact O-N 2.82Å; S271-T273 PolarHBondContact O-N 3.04Å | ||
| 272 | F | 43.7 | Very low | 45.4 | Very low | 162 Ų | 162 | 112.5 Ų | 112.5 | 71% | 0.711 | 64% | 0.642 | S | S | * | * | trans | -68.6 | 94.2 | 154.4 | -60.3 | -79.7 | 0 | 0 | 0 | 106.1 | V270 I274 | V270-F272 HydrophobicContact CB-CE2 4.21Å; V270-F272 HydrophobicContact CG1-CD2 3.75Å; V270-F272 HydrophobicContact CG1-CE1 4.15Å; V270-F272 HydrophobicContact CG1-CE2 3.22Å; V270-F272 HydrophobicContact CG1-CG 4.41Å; V270-F272 HydrophobicContact CG1-CZ 3.45Å; V270-F272 VanDerWaalsContact CG1-CZ 3.45Å; V270-F272 PolarHBondContact O-N 3.4Å; F272-I274 HydrophobicContact CB-CD1 4.42Å; F272-I274 HydrophobicContact CB-CG1 4.24Å; F272-I274 PolarHBondContact O-N 3.12Å | ||
| 273 | T | 43.8 | Very low | 45.5 | Very low | 123 Ų | 123 | 107.2 Ų | 107.2 | 76% | 0.755 | 63% | 0.625 | S | S | * | * | trans | -67 | 80.5 | 154.4 | 47.3 | 0 | 0 | 0 | 0 | 106.4 | S271 D275 | S271-T273 PolarHBondContact O-N 3.04Å; T273-D275 PolarHBondContact O-N 3.06Å | ||
| 274 | I | 40.2 | Very low | 45.1 | Very low | 122 Ų | 122 | 108.3 Ų | 108.3 | 63% | 0.626 | 63% | 0.628 | S | S | * | * | trans | -65.9 | 119.3 | 153 | -67.9 | 160.7 | 0 | 0 | 0 | 103.7 | F272 I276 | F272-I274 HydrophobicContact CB-CD1 4.42Å; F272-I274 HydrophobicContact CB-CG1 4.24Å; F272-I274 PolarHBondContact O-N 3.12Å; I274-I276 VanDerWaalsContact C-N 3.29Å; I274-I276 PolarHBondContact O-N 3.2Å | ||
| 275 | D | 37.7 | Very low | 45.2 | Very low | 127 Ų | 127 | 112.5 Ų | 112.5 | 68% | 0.679 | 63% | 0.626 | S | S | * | * | trans | -59 | 91.1 | 175.1 | -83.9 | -42.2 | 0 | 0 | 0 | 110 | T273 H277 N278 | T273-D275 PolarHBondContact O-N 3.06Å; D275-H277 PolarHBondContact O-N 3.13Å; D275-H277 VanDerWaalsContact O-N 3.16Å; D275-N278 PolarHBondContact O-N 3.49Å | ||
| 276 | I | 50.3 | Low | 44.7 | Very low | 133 Ų | 133 | 119.4 Ų | 119.4 | 68% | 0.682 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -63.6 | -17.8 | 175.8 | -67 | 167.6 | 0 | 0 | 0 | 110.7 | I274 N278 N279 A280 | I274-I276 VanDerWaalsContact C-N 3.29Å; I274-I276 PolarHBondContact O-N 3.2Å; I276-N278 VanDerWaalsContact C-N 3.29Å; I276-N278 PolarHBondContact O-N 3.34Å; I276-N279 PolarHBondContact O-N 2.88Å; I276-A280 PolarHBondContact O-N 3.19Å |
| 277 | H | 43.8 | Very low | 44.8 | Very low | 167 Ų | 167 | 119.6 Ų | 119.6 | 77% | 0.773 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -67.1 | -24.8 | -178.6 | -116.4 | 79.2 | 0 | 0 | 0 | 114.3 | D275 | D275-H277 PolarHBondContact O-N 3.13Å; D275-H277 VanDerWaalsContact O-N 3.16Å |
| 278 | N | 43.9 | Very low | 44.4 | Very low | 113 Ų | 113 | 119.4 Ų | 119.4 | 60% | 0.604 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -88.9 | -27.1 | 179.8 | -147 | 7.1 | 0 | 0 | 0 | 112.8 | D275 I276 | D275-N278 PolarHBondContact O-N 3.49Å; I276-N278 VanDerWaalsContact C-N 3.29Å; I276-N278 PolarHBondContact O-N 3.34Å |
| 279 | N | 37.6 | Very low | 43.9 | Very low | 99 Ų | 99 | 117.5 Ų | 117.5 | 53% | 0.529 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -88.6 | -21.8 | -179.2 | -72 | -7.2 | 0 | 0 | 0 | 113.5 | I276 Q281 L282 A283 | I276-N279 PolarHBondContact O-N 2.88Å; N279-Q281 VanDerWaalsContact C-N 3.29Å; N279-Q281 PolarHBondContact O-N 3.15Å; N279-L282 PolarHBondContact O-N 3.42Å; N279-A283 WeakPolarHBondContact O-CB 3.42Å; N279-A283 PolarHBondContact O-N 3.29Å |
| 280 | A | 45.8 | Very low | 43.8 | Very low | 51 Ų | 51 | 118.4 Ų | 118.4 | 42% | 0.421 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -64.4 | -33.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | I276 L282 A283 N284 | I276-A280 PolarHBondContact O-N 3.19Å; A280-L282 VanDerWaalsContact C-N 3.34Å; A280-A283 PolarHBondContact O-N 2.77Å; A280-N284 PolarHBondContact O-N 3.16Å |
| 281 | Q | 47.7 | Very low | 43.5 | Very low | 152 Ų | 152 | 122.3 Ų | 122.3 | 71% | 0.71 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -70.5 | -30.5 | 175.3 | -66.4 | -166.5 | -24.2 | 0 | 0 | 112.6 | N279 | N279-Q281 VanDerWaalsContact C-N 3.29Å; N279-Q281 PolarHBondContact O-N 3.15Å |
| 282 | L | 43.9 | Very low | 43.7 | Very low | 93 Ų | 93 | 126 Ų | 126 | 49% | 0.487 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -78.8 | -36.2 | 174.1 | -80.5 | 157.9 | 0 | 0 | 0 | 112.3 | N279 A280 R285 Y286 | N279-L282 PolarHBondContact O-N 3.42Å; A280-L282 VanDerWaalsContact C-N 3.34Å; L282-R285 WeakPolarHBondContact O-CB 3.44Å; L282-R285 PolarHBondContact O-N 3.42Å; L282-R285 VanDerWaalsContact O-N 3.15Å; L282-Y286 WeakPolarHBondContact O-CD2 3.35Å |
| 283 | A | 46.4 | Very low | 43.9 | Very low | 51 Ų | 51 | 123 Ų | 123 | 42% | 0.421 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -66.5 | -38.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | N279 A280 R285 Y286 I287 | N279-A283 WeakPolarHBondContact O-CB 3.42Å; N279-A283 PolarHBondContact O-N 3.29Å; A280-A283 PolarHBondContact O-N 2.77Å; A283-R285 PolarHBondContact O-N 3.44Å; A283-R285 VanDerWaalsContact O-N 3.12Å; A283-Y286 PolarHBondContact O-N 3.33Å; A283-I287 PolarHBondContact O-N 3.16Å |
| 284 | N | 42 | Very low | 43.5 | Very low | 129 Ų | 129 | 124.3 Ų | 124.3 | 69% | 0.69 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64 | -15.8 | 174.3 | -92.7 | -6.6 | 0 | 0 | 0 | 113.7 | A280 Y286 | A280-N284 PolarHBondContact O-N 3.16Å; N284-Y286 VanDerWaalsContact C-N 3.35Å |
| 285 | R | 46.1 | Very low | 43.3 | Very low | 204 Ų | 204 | 124.6 Ų | 124.6 | 77% | 0.77 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | -16.4 | 174 | -119.2 | 178.6 | -175.1 | 162.6 | 2.4 | 113.8 | L282 A283 | L282-R285 WeakPolarHBondContact O-CB 3.44Å; L282-R285 PolarHBondContact O-N 3.42Å; L282-R285 VanDerWaalsContact O-N 3.15Å; A283-R285 PolarHBondContact O-N 3.44Å; A283-R285 VanDerWaalsContact O-N 3.12Å |
| 286 | Y | 40 | Very low | 42.9 | Very low | 178 Ų | 178 | 124.7 Ų | 124.7 | 70% | 0.698 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.9 | -6.2 | -175.1 | -71.1 | -77.6 | 0 | 0 | 0 | 115.1 | L282 A283 N284 A289 | L282-Y286 WeakPolarHBondContact O-CD2 3.35Å; A283-Y286 PolarHBondContact O-N 3.33Å; N284-Y286 VanDerWaalsContact C-N 3.35Å; Y286-A289 PolarHBondContact O-N 3.5Å |
| 287 | I | 47.1 | Very low | 42.2 | Very low | 96 Ų | 96 | 124.5 Ų | 124.5 | 49% | 0.492 | 67% | 0.674 | S | S | . | * | G | 310 helix | trans | -70.8 | -14.1 | -179.2 | -66.2 | 171.5 | 0 | 0 | 0 | 115.5 | A283 A289 | A283-I287 PolarHBondContact O-N 3.16Å; I287-A289 PolarHBondContact O-N 3.04Å; I287-A289 VanDerWaalsContact O-N 3.16Å |
| 288 | P | 43.6 | Very low | 41.6 | Very low | 118 Ų | 118 | 123.3 Ų | 123.3 | 77% | 0.766 | 67% | 0.671 | S | S | * | * | G | 310 helix | trans | -69.3 | -8.5 | 170.8 | -18 | 31.7 | 0 | 0 | 0 | 114.8 | ||
| 289 | A | 44.6 | Very low | 40.7 | Very low | 74 Ų | 74 | 126.3 Ų | 126.3 | 61% | 0.612 | 68% | 0.682 | S | S | * | * | G | 310 helix | trans | -96.1 | -18.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y286 I287 | Y286-A289 PolarHBondContact O-N 3.5Å; I287-A289 PolarHBondContact O-N 3.04Å; I287-A289 VanDerWaalsContact O-N 3.16Å |
| 290 | L | 43.4 | Very low | 40.2 | Very low | 131 Ų | 131 | 127.2 Ų | 127.2 | 69% | 0.686 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95 | -16.5 | -170.3 | -153.8 | 73.8 | 0 | 0 | 0 | 114.9 | H292 | L290-H292 PolarHBondContact O-N 3.23Å; L290-H292 VanDerWaalsContact O-N 3.13Å |
| 291 | N | 40.6 | Very low | 39.5 | Very low | 149 Ų | 149 | 130 Ų | 130 | 80% | 0.797 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | -5.1 | 178.9 | -74.2 | -7.7 | 0 | 0 | 0 | 113.7 | ||
| 292 | H | 45.3 | Very low | 38.3 | Very low | 173 Ų | 173 | 126.3 Ų | 126.3 | 80% | 0.801 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.5 | 6.7 | -174.6 | -133.9 | -65 | 0 | 0 | 0 | 115.6 | L290 | L290-H292 PolarHBondContact O-N 3.23Å; L290-H292 VanDerWaalsContact O-N 3.13Å |
| 293 | V | 48.8 | Very low | 37.5 | Very low | 101 Ų | 101 | 130.8 Ų | 130.8 | 61% | 0.612 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.1 | -18.6 | -173.9 | -176.3 | 0 | 0 | 0 | 0 | 116.3 | T295 | V293-T295 PolarHBondContact O-N 3.12Š|
| 294 | N | 34 | Very low | 36.4 | Very low | 149 Ų | 149 | 138 Ų | 138 | 80% | 0.797 | 76% | 0.755 | S | S | * | * | trans | -89.7 | 13.6 | -173.2 | -88.4 | 5.5 | 0 | 0 | 0 | 117.3 | T296 | N294-T296 VanDerWaalsContact C-N 3.31Å; N294-T296 PolarHBondContact O-N 3.21Å | ||
| 295 | T | 36.8 | Very low | 35.6 | Very low | 129 Ų | 129 | 139 Ų | 139 | 79% | 0.791 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -83.5 | 75.5 | 159 | 31 | 0 | 0 | 0 | 0 | 109.6 | V293 | V293-T295 PolarHBondContact O-N 3.12Š|
| 296 | T | 30.3 | Very low | 34.7 | Very low | 129 Ų | 129 | 135 Ų | 135 | 79% | 0.791 | 76% | 0.759 | S | S | * | * | trans | 167.8 | 96.9 | 152.7 | 32.2 | 0 | 0 | 0 | 0 | 111.8 | N294 | N294-T296 VanDerWaalsContact C-N 3.31Å; N294-T296 PolarHBondContact O-N 3.21Å | ||
| 297 | S | 35 | Very low | 33.9 | Very low | 128 Ų | 128 | 131.3 Ų | 131.3 | 90% | 0.895 | 76% | 0.76 | S | S | * | * | trans | 179.6 | 138.7 | 133.8 | 42.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 298 | I | 30.2 | Very low | 33 | Very low | 142 Ų | 142 | 134.8 Ų | 134.8 | 73% | 0.728 | 78% | 0.778 | S | S | * | * | trans | -120.4 | 141.1 | -160.9 | -77.9 | 173.1 | 0 | 0 | 0 | 107.7 | ||||
| 299 | Q | 25.9 | Very low | 32.4 | Very low | 177 Ų | 177 | 137.1 Ų | 137.1 | 83% | 0.827 | 78% | 0.778 | S | S | * | * | trans | 64 | 142.7 | 150.3 | -69.8 | 162.8 | -2.3 | 0 | 0 | 123.5 | ||||
| 300 | S | 27.4 | Very low | 31.6 | Very low | 117 Ų | 117 | 139 Ų | 139 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | 98.5 | 96.8 | 143.9 | -61.9 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 301 | A | 30.5 | Very low | 30.6 | Very low | 109 Ų | 109 | 141 Ų | 141 | 90% | 0.901 | 79% | 0.792 | S | S | * | * | -173 | 106.5 | 125.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 302 | G | 23.5 | Very low | 30 | Very low | 76 Ų | 76 | 138.5 Ų | 138.5 | 78% | 0.784 | 79% | 0.786 | S | S | * | * | trans | -102.3 | 138.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 303 | K | 25.9 | Very low | 28.9 | Very low | 187 Ų | 187 | 137.4 Ų | 137.4 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | trans | -164.6 | 125.5 | 153.6 | -113.2 | -168.7 | 170.8 | 162.8 | 0 | 112.3 | ||||
| 304 | Y | 24.2 | Very low | 27.8 | Very low | 203 Ų | 203 | 143 Ų | 143 | 80% | 0.796 | 80% | 0.802 | S | S | * | * | trans | 69.3 | 104.4 | 156.9 | -73.3 | -89.3 | 0 | 0 | 0 | 121.7 | ||||
| 305 | I | 24.7 | Very low | 27.5 | Very low | 148 Ų | 148 | 141 Ų | 141 | 76% | 0.759 | 80% | 0.8 | S | S | * | * | trans | -114.7 | 129.4 | 157.1 | -62 | 163.7 | 0 | 0 | 0 | 106.6 | ||||
| 306 | P | 26.3 | Very low | 26.7 | Very low | 120 Ų | 120 | 141.7 Ų | 141.7 | 78% | 0.779 | 81% | 0.805 | S | S | * | * | trans | -99.8 | 115.4 | 159 | 10.1 | 9.3 | 0 | 0 | 0 | 110 | ||||
| 307 | S | 23.7 | Very low | 26.4 | Very low | 102 Ų | 102 | 143.8 Ų | 143.8 | 71% | 0.713 | 81% | 0.805 | S | S | * | * | trans | -94 | 119.8 | 167.5 | -49.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 308 | I | 29.4 | Very low | 25.8 | Very low | 169 Ų | 169 | 145.6 Ų | 145.6 | 87% | 0.867 | 80% | 0.8 | S | S | * | * | trans | -121.3 | 135.4 | 161.6 | -64.6 | -178.9 | 0 | 0 | 0 | 109.3 | ||||
| 309 | H | 30.2 | Very low | 25.5 | Very low | 166 Ų | 166 | 145.5 Ų | 145.5 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | trans | -65.9 | 149.1 | -164.9 | -90.4 | -89.2 | 0 | 0 | 0 | 117.3 | ||||
| 310 | T | 26.9 | Very low | 25.2 | Very low | 115 Ų | 115 | 146.1 Ų | 146.1 | 71% | 0.706 | 81% | 0.809 | S | S | * | * | trans | 72 | 109.9 | 135.3 | -51.4 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 311 | I | 23.7 | Very low | 25.1 | Very low | 173 Ų | 173 | 146.3 Ų | 146.3 | 89% | 0.887 | 81% | 0.807 | S | S | * | * | trans | -79.3 | 122 | 165.1 | -62.6 | 159.6 | 0 | 0 | 0 | 108.6 | ||||
| 312 | S | 26.4 | Very low | 24.9 | Very low | 95 Ų | 95 | 148.6 Ų | 148.6 | 66% | 0.664 | 80% | 0.802 | S | S | * | * | trans | -156.1 | 114.8 | 155.9 | 60.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 313 | N | 22.7 | Very low | 24.8 | Very low | 151 Ų | 151 | 154 Ų | 154 | 81% | 0.807 | 81% | 0.808 | S | S | * | * | trans | 46.6 | 106.2 | 150 | -58.7 | -10 | 0 | 0 | 0 | 119.2 | ||||
| 314 | F | 26.8 | Very low | 25 | Very low | 217 Ų | 217 | 151.4 Ų | 151.4 | 95% | 0.952 | 81% | 0.808 | S | S | * | * | trans | -131.2 | 133.5 | 143.3 | -122.3 | -89.3 | 0 | 0 | 0 | 110.7 | ||||
| 315 | S | 26.3 | Very low | 25.1 | Very low | 109 Ų | 109 | 150 Ų | 150 | 76% | 0.762 | 81% | 0.814 | S | S | * | * | trans | -73.9 | 154.6 | -164 | -46.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 316 | T | 21.5 | Very low | 25.4 | Very low | 143 Ų | 143 | 146.4 Ų | 146.4 | 88% | 0.877 | 81% | 0.813 | S | S | * | * | trans | -47.4 | 120.3 | 167.8 | -36.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 317 | E | 23.4 | Very low | 25.6 | Very low | 172 Ų | 172 | 147.4 Ų | 147.4 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | trans | -155.9 | 113.4 | 150.3 | -120.1 | 172.3 | 179.4 | 0 | 0 | 112.5 | ||||
| 318 | Q | 21.3 | Very low | 26.1 | Very low | 167 Ų | 167 | 148.2 Ų | 148.2 | 78% | 0.78 | 82% | 0.82 | S | S | * | * | trans | 51.2 | 109.7 | 145 | -61.7 | 179 | 13 | 0 | 0 | 120.7 | ||||
| 319 | T | 25.1 | Very low | 26.3 | Very low | 140 Ų | 140 | 148.3 Ų | 148.3 | 86% | 0.859 | 82% | 0.821 | S | S | * | * | -150.5 | 124.1 | 129.8 | -32.2 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 320 | Q | 19.7 | Very low | 26.5 | Very low | 189 Ų | 189 | 145.5 Ų | 145.5 | 88% | 0.883 | 82% | 0.818 | S | S | * | * | trans | -67.9 | 138.7 | 179 | -68.2 | 174.6 | -13.7 | 0 | 0 | 112.8 | ||||
| 321 | P | 25.4 | Very low | 26.9 | Very low | 121 Ų | 121 | 146.2 Ų | 146.2 | 79% | 0.786 | 82% | 0.824 | S | S | * | * | trans | -106.8 | 118 | 161.5 | 4.9 | 16.2 | 0 | 0 | 0 | 112.6 | ||||
| 322 | I | 26 | Very low | 27.6 | Very low | 157 Ų | 157 | 145.7 Ų | 145.7 | 81% | 0.805 | 82% | 0.822 | S | S | * | * | trans | 10.3 | 121.5 | 149.5 | -62.4 | 161.7 | 0 | 0 | 0 | 118.3 | ||||
| 323 | Q | 21.4 | Very low | 27.9 | Very low | 191 Ų | 191 | 146.3 Ų | 146.3 | 89% | 0.893 | 82% | 0.824 | S | S | * | * | trans | -68 | 128.8 | 164.4 | -71.4 | 171.6 | -15.6 | 0 | 0 | 111.9 | ||||
| 324 | T | 30 | Very low | 28.3 | Very low | 132 Ų | 132 | 144.6 Ų | 144.6 | 81% | 0.81 | 82% | 0.82 | S | S | * | * | trans | -132.7 | 113.9 | 152.9 | 51.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 325 | N | 26.7 | Very low | 28.7 | Very low | 174 Ų | 174 | 140.3 Ų | 140.3 | 93% | 0.93 | 81% | 0.814 | S | S | * | * | trans | -55.2 | 128 | 170.6 | -85 | -25.1 | 0 | 0 | 0 | 111.8 | ||||
| 326 | G | 31 | Very low | 29 | Very low | 72 Ų | 72 | 142.8 Ų | 142.8 | 74% | 0.742 | 82% | 0.818 | S | S | * | * | trans | -150.7 | 102.8 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 327 | T | 31 | Very low | 29.7 | Very low | 140 Ų | 140 | 141.1 Ų | 141.1 | 86% | 0.859 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 142.8 | -177 | -6.5 | 0 | 0 | 0 | 0 | 111.9 | ||
| 328 | P | 33.1 | Very low | 30 | Very low | 120 Ų | 120 | 139.3 Ų | 139.3 | 78% | 0.779 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 137.2 | -173.4 | -7.7 | 25.8 | 0 | 0 | 0 | 112.5 | ||
| 329 | L | 33 | Very low | 30.7 | Very low | 170 Ų | 170 | 136.4 Ų | 136.4 | 89% | 0.89 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -66 | 140.8 | 169.7 | -85.6 | 149 | 0 | 0 | 0 | 111.1 | ||
| 330 | P | 34.4 | Very low | 30.9 | Very low | 108 Ų | 108 | 136.5 Ų | 136.5 | 70% | 0.701 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 156.5 | -175.2 | 28.6 | -33.5 | 0 | 0 | 0 | 113.7 | ||
| 331 | P | 37.1 | Very low | 31.5 | Very low | 129 Ų | 129 | 134.1 Ų | 134.1 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 140.9 | -171.2 | -8.5 | 26.2 | 0 | 0 | 0 | 113 | ||
| 332 | I | 36.6 | Very low | 32 | Very low | 162 Ų | 162 | 135.8 Ų | 135.8 | 83% | 0.831 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -74 | 129.6 | 177 | -63.5 | 164.9 | 0 | 0 | 0 | 109.5 | ||
| 333 | P | 32.7 | Very low | 32.3 | Very low | 109 Ų | 109 | 136.6 Ų | 136.6 | 71% | 0.708 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 152.4 | -178 | 23.4 | -23.8 | 0 | 0 | 0 | 113.2 | ||
| 334 | P | 32.7 | Very low | 33.4 | Very low | 114 Ų | 114 | 136.6 Ų | 136.6 | 74% | 0.74 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 160.8 | -170.2 | 31.1 | -34.9 | 0 | 0 | 0 | 114.1 | ||
| 335 | P | 34.2 | Very low | 33.5 | Very low | 127 Ų | 127 | 136.9 Ų | 136.9 | 83% | 0.825 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 137.4 | -173.7 | -10.4 | 26.8 | 0 | 0 | 0 | 112.8 | S337 | P335-S337 PolarHBondContact O-N 3.32Š|
| 336 | I | 33.3 | Very low | 33.9 | Very low | 162 Ų | 162 | 134.9 Ų | 134.9 | 83% | 0.831 | 82% | 0.823 | S | S | * | * | trans | -73.7 | 111 | 177.7 | -61.7 | 162.9 | 0 | 0 | 0 | 109 | ||||
| 337 | S | 35.3 | Very low | 34.1 | Very low | 107 Ų | 107 | 138.4 Ų | 138.4 | 75% | 0.748 | 83% | 0.828 | S | S | * | * | trans | -78.1 | 117.7 | 170.4 | 52.8 | 0 | 0 | 0 | 0 | 110.3 | P335 | P335-S337 PolarHBondContact O-N 3.32Š| ||
| 338 | V | 30.9 | Very low | 34.3 | Very low | 134 Ų | 134 | 138.3 Ų | 138.3 | 81% | 0.812 | 83% | 0.826 | S | S | * | * | trans | -89.8 | 112.2 | 170.9 | -179.5 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 339 | S | 34.7 | Very low | 34.3 | Very low | 107 Ų | 107 | 139.4 Ų | 139.4 | 75% | 0.748 | 83% | 0.829 | S | S | * | * | trans | -129.2 | 123.3 | 168 | 57 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 340 | N | 28.9 | Very low | 34.4 | Very low | 141 Ų | 141 | 137.4 Ų | 137.4 | 75% | 0.754 | 82% | 0.824 | S | S | * | * | trans | -60.9 | 166.3 | 172.1 | -76.7 | -22.7 | 0 | 0 | 0 | 112.7 | ||||
| 341 | D | 32.2 | Very low | 34.4 | Very low | 140 Ų | 140 | 139.5 Ų | 139.5 | 75% | 0.749 | 83% | 0.833 | S | S | * | * | trans | 111 | 99.7 | 155.4 | -59 | -18.2 | 0 | 0 | 0 | 115 | ||||
| 342 | N | 37.2 | Very low | 34.2 | Very low | 155 Ų | 155 | 140.3 Ų | 140.3 | 83% | 0.829 | 83% | 0.833 | S | S | * | * | 178.8 | 136 | 85.2 | -91.8 | -43.5 | 0 | 0 | 0 | 112.7 | |||||
| 343 | L | 32.2 | Very low | 34 | Very low | 174 Ų | 174 | 138.5 Ų | 138.5 | 91% | 0.911 | 83% | 0.833 | S | S | * | * | trans | -58.1 | 142.3 | 162.9 | -73.7 | 101.4 | 0 | 0 | 0 | 110.8 | ||||
| 344 | S | 43.7 | Very low | 34.1 | Very low | 192 Ų | 192 | 141.2 Ų | 141.2 | 100% | 1.343 | 85% | 0.845 | S | S | * | * | trans | -119.2 | 0 | 150.3 | 62.2 | 0 | 0 | 0 | 0 | 108.4 |
Retrieved 344 of 344 residues in 139.2 ms
(Link to these results)