| 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 | 33 | Very low | 48.1 | Very low | 238 Ų | 238 | 108.5 Ų | 108.5 | 100% | 1.172 | 58% | 0.584 | S | S | * | * | 0 | 16.8 | 0 | -132.4 | 160.5 | -174.8 | 0 | 0 | 113.6 | |||||
| 2 | S | 35 | Very low | 50.8 | Low | 101 Ų | 101 | 100.3 Ų | 100.3 | 71% | 0.706 | 55% | 0.545 | S | S | * | . | trans | -97.9 | -6.8 | -170.7 | 44.8 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 3 | V | 37.5 | Very low | 53.5 | Low | 108 Ų | 108 | 94.2 Ų | 94.2 | 66% | 0.655 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -83 | -20.4 | -174.3 | -175.8 | 0 | 0 | 0 | 0 | 112.7 | ||
| 4 | V | 38.4 | Very low | 55.8 | Low | 90 Ų | 90 | 97.1 Ų | 97.1 | 55% | 0.545 | 51% | 0.514 | S | S | . | . | S | Bend | trans | -80.1 | -29.5 | -177.2 | -177.3 | 0 | 0 | 0 | 0 | 112 | N6 | V4-N6 PolarHBondContact O-N 3.04Š|
| 5 | N | 36.7 | Very low | 57.9 | Low | 135 Ų | 135 | 96.9 Ų | 96.9 | 72% | 0.722 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -6.5 | -172.7 | -148.2 | 17.5 | 0 | 0 | 0 | 114.7 | ||
| 6 | N | 37.7 | Very low | 60 | Low | 84 Ų | 84 | 91.2 Ų | 91.2 | 45% | 0.449 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -3.8 | -179.8 | -133.5 | 10.3 | 0 | 0 | 0 | 113.3 | V4 S8 | V4-N6 PolarHBondContact O-N 3.04Å; N6-S8 VanDerWaalsContact C-N 3.34Å; N6-S8 PolarHBondContact O-N 3.18Å |
| 7 | R | 43.8 | Very low | 61.7 | Low | 99 Ų | 99 | 85.9 Ų | 85.9 | 37% | 0.374 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -35 | -178 | -72 | -174.3 | -178.4 | -175.9 | 3 | 112.9 | K9 D197 F280 | R7-K9 PolarHBondContact O-N 3.35Å; R7-D197 PolarHBondContact NH1-O 2.88Å; R7-F280 HydrophobicContact CG-CD2 4.5Å; R7-F280 HydrophobicContact CG-CE2 4.36Å |
| 8 | S | 52.6 | Low | 63.4 | Low | 92 Ų | 92 | 81.2 Ų | 81.2 | 64% | 0.643 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -6.3 | -171.8 | 58.9 | 0 | 0 | 0 | 0 | 115.1 | N6 | N6-S8 VanDerWaalsContact C-N 3.34Å; N6-S8 PolarHBondContact O-N 3.18Å |
| 9 | K | 62.6 | Low | 64.9 | Low | 130 Ų | 130 | 79.6 Ų | 79.6 | 57% | 0.565 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.6 | -17.2 | -171.6 | -73.7 | -169.6 | 177.8 | -174.7 | 0 | 115.1 | R7 L285 P286 | R7-K9 PolarHBondContact O-N 3.35Å; K9-L285 HydrophobicContact CB-CD2 3.98Å; K9-P286 WeakPolarHBondContact O-CD 3.36Å |
| 10 | K | 74.2 | Confident | 66.3 | Low | 65 Ų | 65 | 75.7 Ų | 75.7 | 28% | 0.283 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -77.7 | 130.6 | -177.5 | -70.9 | -173.3 | 176.4 | -170.4 | 0 | 110.9 | I279 F280 H284 L285 | K10-I279 HydrophobicContact CB-CG2 4.12Å; K10-I279 WeakPolarHBondContact CD-O 2.87Å; K10-I279 VanDerWaalsContact O-CG2 3.28Å; K10-I279 WeakPolarHBondContact O-CG2 3.37Å; K10-F280 WeakPolarHBondContact CD-O 3.46Å; K10-F280 PolarHBondContact NZ-O 3.35Å; K10-H284 CarbonylContact C-O 3.59Å; K10-H284 WeakPolarHBondContact CA-O 3.49Å; K10-L285 HydrophobicContact CG-CD2 4.33Å |
| 11 | V | 77.5 | Confident | 67.6 | Low | 51 Ų | 51 | 72 Ų | 72 | 31% | 0.309 | 38% | 0.377 | S | S | . | . | B | Isolated β-bridge | trans | -97.7 | 130.9 | 175.5 | -178.2 | 0 | 0 | 0 | 0 | 108.7 | Q91 G283 H284 P286 | V11-Q91 HydrophobicContact CG1-CG 3.77Å; V11-G283 WeakPolarHBondContact O-CA 3.41Å; V11-H284 PolarHBondContact N-O 3.1Å; V11-H284 PolarHBondContact O-N 2.81Å; V11-P286 HydrophobicContact CG2-CB 4.1Å; V11-P286 HydrophobicContact CG2-CG 4.2Å |
| 12 | G | 80.2 | Confident | 70.4 | Confident | 11 Ų | 11 | 61.3 Ų | 61.3 | 11% | 0.113 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -74.6 | 143.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q91 | G12-Q91 PolarHBondContact O-NE2 3.03Š|
| 13 | S | 86.4 | Confident | 73.2 | Confident | 21 Ų | 21 | 60.4 Ų | 60.4 | 15% | 0.147 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -68.5 | 149.3 | 169 | -70.9 | 0 | 0 | 0 | 0 | 110.9 | Y15 F16 | S13-Y15 PolarHBondContact O-N 3.5Å; S13-F16 WeakPolarHBondContact O-CB 3.4Å; S13-F16 PolarHBondContact O-N 3.46Å |
| 14 | W | 85.3 | Confident | 75.8 | Confident | 135 Ų | 135 | 55.2 Ų | 55.2 | 51% | 0.511 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -28.9 | -178.3 | 60.9 | -96 | 0 | 0 | 0 | 114 | M80 | W14-M80 HydrophobicContact CE3-CG 4.27Å; W14-M80 HydrophobicContact CH2-SD 4.39Å; W14-M80 HydrophobicContact CZ3-CG 3.8Å; W14-M80 HydrophobicContact CZ3-SD 3.79Å |
| 15 | Y | 88.4 | Confident | 78.2 | Confident | 93 Ų | 93 | 51 Ų | 51 | 37% | 0.365 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -13.1 | 179.6 | 61.8 | -94.7 | 0 | 0 | 0 | 114.2 | S13 G17 G18 V19 | S13-Y15 PolarHBondContact O-N 3.5Å; Y15-G17 VanDerWaalsContact C-N 3.26Å; Y15-G17 PolarHBondContact O-N 2.82Å; Y15-G18 PolarHBondContact O-N 3.02Å; Y15-V19 HydrophobicContact CD2-CG2 4.19Å; Y15-V19 PolarHBondContact O-N 2.79Å; Y15-V19 VanDerWaalsContact O-N 3.11Å |
| 16 | F | 91.2 | Very high | 80.8 | Confident | 6 Ų | 6 | 46.1 Ų | 46.1 | 3% | 0.026 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.7 | -37.6 | -177.1 | -74.7 | 2 | 0 | 0 | 0 | 112 | S13 G18 V19 A20 L275 L278 I279 F282 | S13-F16 WeakPolarHBondContact O-CB 3.4Å; S13-F16 PolarHBondContact O-N 3.46Å; F16-G18 VanDerWaalsContact C-N 3.31Å; F16-G18 PolarHBondContact O-N 3.41Å; F16-V19 PolarHBondContact O-N 3.25Å; F16-A20 WeakPolarHBondContact O-CB 3.15Å; F16-A20 PolarHBondContact O-N 3.17Å; F16-L275 HydrophobicContact CB-CD1 3.65Å; F16-L278 HydrophobicContact CB-CB 4.39Å; F16-L278 HydrophobicContact CB-CD1 4.36Å; F16-L278 HydrophobicContact CD2-CB 3.91Å; F16-L278 HydrophobicContact CE2-CB 4.33Å; F16-L278 WeakPolarHBondContact CE2-O 3.43Å; F16-L278 HydrophobicContact CG-CB 4.12Å; F16-I279 HydrophobicContact CD2-CG1 4Å; F16-F282 HydrophobicContact CE1-CB 4.5Å; F16-F282 HydrophobicContact CE2-CB 4.3Å; F16-F282 HydrophobicContact CZ-CB 3.71Å |
| 17 | G | 89 | Confident | 83.3 | Confident | 2 Ų | 2 | 45.7 Ų | 45.7 | 2% | 0.021 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.1 | -34.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y15 S21 | Y15-G17 VanDerWaalsContact C-N 3.26Å; Y15-G17 PolarHBondContact O-N 2.82Å; G17-S21 VanDerWaalsContact O-CB 3.28Å; G17-S21 WeakPolarHBondContact O-CB 3.17Å; G17-S21 PolarHBondContact O-N 2.85Å; G17-S21 PolarHBondContact O-OG 2.89Å |
| 18 | G | 91.1 | Very high | 85.3 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.3 | -47.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y15 F16 S21 A22 | Y15-G18 PolarHBondContact O-N 3.02Å; F16-G18 VanDerWaalsContact C-N 3.31Å; F16-G18 PolarHBondContact O-N 3.41Å; G18-S21 PolarHBondContact O-N 2.83Å; G18-A22 PolarHBondContact O-N 3.17Å |
| 19 | V | 93.3 | Very high | 86.9 | Confident | 52 Ų | 52 | 37 Ų | 37 | 32% | 0.315 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -63.8 | -47.5 | 178.1 | 178.1 | 0 | 0 | 0 | 0 | 111.1 | Y15 F16 S21 A22 M23 L278 | Y15-V19 HydrophobicContact CD2-CG2 4.19Å; Y15-V19 PolarHBondContact O-N 2.79Å; Y15-V19 VanDerWaalsContact O-N 3.11Å; F16-V19 PolarHBondContact O-N 3.25Å; V19-S21 VanDerWaalsContact C-N 3.29Å; V19-S21 PolarHBondContact O-N 2.83Å; V19-A22 WeakPolarHBondContact O-CB 3.42Å; V19-A22 PolarHBondContact O-N 3.05Å; V19-A22 VanDerWaalsContact O-N 3.1Å; V19-M23 HydrophobicContact CG1-SD 4.21Å; V19-M23 WeakPolarHBondContact O-CG 3.4Å; V19-M23 PolarHBondContact O-N 2.86Å; V19-L278 HydrophobicContact CB-CD1 4.17Å; V19-L278 HydrophobicContact CG1-CD1 4.06Å |
| 20 | A | 92.9 | Very high | 88 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -57.7 | -42.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | F16 M23 A24 T271 F274 L275 L278 | F16-A20 WeakPolarHBondContact O-CB 3.15Å; F16-A20 PolarHBondContact O-N 3.17Å; A20-M23 PolarHBondContact O-N 2.62Å; A20-A24 WeakPolarHBondContact O-CB 3.4Å; A20-A24 PolarHBondContact O-N 3.47Å; A20-T271 HydrophobicContact CB-CG2 4.49Å; A20-T271 WeakPolarHBondContact CB-O 3.47Å; A20-F274 HydrophobicContact CB-CB 3.9Å; A20-L275 HydrophobicContact CB-CB 3.91Å; A20-L278 HydrophobicContact CB-CD1 4.05Å |
| 21 | S | 92.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -68.3 | -34.4 | 177.2 | -59.7 | 0 | 0 | 0 | 0 | 112.4 | G17 G18 V19 A25 S79 T271 | G17-S21 VanDerWaalsContact O-CB 3.28Å; G17-S21 WeakPolarHBondContact O-CB 3.17Å; G17-S21 PolarHBondContact O-N 2.85Å; G17-S21 PolarHBondContact O-OG 2.89Å; G18-S21 PolarHBondContact O-N 2.83Å; V19-S21 VanDerWaalsContact C-N 3.29Å; V19-S21 PolarHBondContact O-N 2.83Å; S21-A25 VanDerWaalsContact O-CB 3.31Å; S21-A25 WeakPolarHBondContact O-CB 3.31Å; S21-A25 PolarHBondContact O-N 3.38Å; S21-S79 VanDerWaalsContact CB-CB 3.42Å; S21-S79 WeakPolarHBondContact CB-OG 3.31Å; S21-S79 VanDerWaalsContact OG-CB 3.25Å; S21-S79 WeakPolarHBondContact OG-CB 3.26Å; S21-S79 PolarHBondContact OG-OG 3.31Å; S21-T271 VanDerWaalsContact OG-CG2 3.28Å; S21-T271 WeakPolarHBondContact OG-CG2 3.47Å |
| 22 | A | 92.8 | Very high | 88.2 | Confident | 13 Ų | 13 | 32 Ų | 32 | 11% | 0.107 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -68.5 | -41.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | G18 V19 A25 A26 I72 Q75 L76 | G18-A22 PolarHBondContact O-N 3.17Å; V19-A22 WeakPolarHBondContact O-CB 3.42Å; V19-A22 PolarHBondContact O-N 3.05Å; V19-A22 VanDerWaalsContact O-N 3.1Å; A22-A25 PolarHBondContact O-N 2.72Å; A22-A26 PolarHBondContact O-N 3.44Å; A22-I72 HydrophobicContact CB-CG2 4.43Å; A22-Q75 HydrophobicContact CB-CB 4.17Å; A22-L76 HydrophobicContact CB-CD2 4.15Å; A22-L76 HydrophobicContact CB-CG 4.45Å |
| 23 | M | 93.4 | Very high | 88.1 | Confident | 81 Ų | 81 | 31.5 Ų | 31.5 | 40% | 0.399 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -62.1 | -46.4 | 172.8 | -68.2 | 174.4 | 67.3 | 0 | 0 | 111.3 | V19 A20 A25 A26 C27 F274 | V19-M23 HydrophobicContact CG1-SD 4.21Å; V19-M23 WeakPolarHBondContact O-CG 3.4Å; V19-M23 PolarHBondContact O-N 2.86Å; A20-M23 PolarHBondContact O-N 2.62Å; M23-A25 VanDerWaalsContact C-N 3.31Å; M23-A25 PolarHBondContact O-N 3.07Å; M23-A26 PolarHBondContact O-N 3.45Å; M23-C27 PolarHBondContact O-N 3.23Å; M23-C27 VanDerWaalsContact O-N 3.16Å; M23-C27 PolarHBondContact O-SG 2.99Å; M23-F274 HydrophobicContact CB-CD2 3.62Å; M23-F274 HydrophobicContact CB-CE2 3.84Å; M23-F274 HydrophobicContact CB-CG 4.3Å; M23-F274 HydrophobicContact CE-CD1 4.19Å; M23-F274 HydrophobicContact CE-CE1 4.41Å; M23-F274 HydrophobicContact CE-CG 4.27Å |
| 24 | A | 92.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58.2 | -45.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | A20 A26 C27 T28 L270 T271 F274 | A20-A24 WeakPolarHBondContact O-CB 3.4Å; A20-A24 PolarHBondContact O-N 3.47Å; A24-A26 VanDerWaalsContact C-N 3.35Å; A24-A26 PolarHBondContact O-N 3.05Å; A24-C27 PolarHBondContact O-N 3.46Å; A24-T28 WeakPolarHBondContact O-CG2 3.28Å; A24-T28 PolarHBondContact O-N 3.46Å; A24-T28 PolarHBondContact O-OG1 3.25Å; A24-T28 VanDerWaalsContact O-OG1 3.13Å; A24-L270 HydrophobicContact CB-CB 3.76Å; A24-T271 WeakPolarHBondContact CB-OG1 3.43Å; A24-F274 HydrophobicContact CB-CD2 4.18Å; A24-F274 HydrophobicContact CB-CE2 4.36Å |
| 25 | A | 89.1 | Confident | 87.1 | Confident | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.008 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.3 | -40 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | S21 A22 M23 C27 T28 H29 Q75 | S21-A25 VanDerWaalsContact O-CB 3.31Å; S21-A25 WeakPolarHBondContact O-CB 3.31Å; S21-A25 PolarHBondContact O-N 3.38Å; A22-A25 PolarHBondContact O-N 2.72Å; M23-A25 VanDerWaalsContact C-N 3.31Å; M23-A25 PolarHBondContact O-N 3.07Å; A25-C27 VanDerWaalsContact C-N 3.28Å; A25-C27 PolarHBondContact O-N 2.82Å; A25-T28 PolarHBondContact O-N 3.28Å; A25-H29 WeakPolarHBondContact O-CA 3.26Å; A25-H29 WeakPolarHBondContact O-CB 3.28Å; A25-H29 PolarHBondContact O-N 2.92Å; A25-Q75 HydrophobicContact CB-CG 3.6Å |
| 26 | A | 90.7 | Very high | 86.1 | Confident | 32 Ų | 32 | 23.3 Ų | 23.3 | 26% | 0.264 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -59.3 | -40.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | A22 M23 A24 I68 | A22-A26 PolarHBondContact O-N 3.44Å; M23-A26 PolarHBondContact O-N 3.45Å; A24-A26 VanDerWaalsContact C-N 3.35Å; A24-A26 PolarHBondContact O-N 3.05Å; A26-I68 HydrophobicContact CB-CD1 4.47Å |
| 27 | C | 90.4 | Very high | 85.2 | Confident | 76 Ų | 76 | 23.6 Ų | 23.6 | 51% | 0.514 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -71.5 | -36.4 | 176.2 | -62.2 | 0 | 0 | 0 | 0 | 113.3 | M23 A24 A25 L270 | M23-C27 PolarHBondContact O-N 3.23Å; M23-C27 VanDerWaalsContact O-N 3.16Å; M23-C27 PolarHBondContact O-SG 2.99Å; A24-C27 PolarHBondContact O-N 3.46Å; A25-C27 VanDerWaalsContact C-N 3.28Å; A25-C27 PolarHBondContact O-N 2.82Å; C27-L270 HydrophobicContact CB-CD1 3.96Å |
| 28 | T | 86.6 | Confident | 84.4 | Confident | 7 Ų | 7 | 25.8 Ų | 25.8 | 4% | 0.043 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -93.4 | -4.1 | -176.9 | 63.6 | 0 | 0 | 0 | 0 | 114.2 | A24 A25 P30 L31 D32 H267 L270 | A24-T28 WeakPolarHBondContact O-CG2 3.28Å; A24-T28 PolarHBondContact O-N 3.46Å; A24-T28 PolarHBondContact O-OG1 3.25Å; A24-T28 VanDerWaalsContact O-OG1 3.13Å; A25-T28 PolarHBondContact O-N 3.28Å; T28-P30 VanDerWaalsContact C-CD 3.45Å; T28-P30 VanDerWaalsContact C-N 3.35Å; T28-L31 WeakPolarHBondContact O-CB 3.48Å; T28-L31 PolarHBondContact O-N 3.11Å; T28-D32 PolarHBondContact O-N 3.26Å; T28-D32 VanDerWaalsContact O-N 3.08Å; T28-H267 HydrophobicContact CG2-CB 4.28Å; T28-L270 HydrophobicContact CG2-CD1 3.65Å |
| 29 | H | 85.1 | Confident | 83.2 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -55.7 | -39.9 | -174.3 | -164.8 | 78 | 0 | 0 | 0 | 113.6 | A25 L31 D32 L33 F64 Y65 N66 I68 S71 | A25-H29 WeakPolarHBondContact O-CA 3.26Å; A25-H29 WeakPolarHBondContact O-CB 3.28Å; A25-H29 PolarHBondContact O-N 2.92Å; H29-L31 VanDerWaalsContact C-N 3.3Å; H29-L31 PolarHBondContact O-N 3.04Å; H29-D32 PolarHBondContact O-N 2.94Å; H29-L33 WeakPolarHBondContact O-CB 3.25Å; H29-L33 PolarHBondContact O-N 3Å; H29-F64 PolarHBondContact CD2-O 3.14Å; H29-Y65 HydrophobicContact CB-CD1 4.49Å; H29-N66 PolarHBondContact NE2-O 3.35Å; H29-I68 PolarHBondContact NE2-N 2.71Å; H29-S71 PolarHBondContact CE1-OG 3.43Å; H29-S71 VanDerWaalsContact ND1-CB 3.34Å; H29-S71 WeakPolarHBondContact ND1-CB 3.25Å; H29-S71 PolarHBondContact ND1-OG 3.16Å |
| 30 | P | 84.9 | Confident | 81.8 | Confident | 29 Ų | 29 | 31 Ų | 31 | 19% | 0.188 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -57.6 | -40.3 | 174.5 | -27 | 36.4 | 0 | 0 | 0 | 113.4 | T28 L33 I34 F64 Y65 | T28-P30 VanDerWaalsContact C-CD 3.45Å; T28-P30 VanDerWaalsContact C-N 3.35Å; P30-L33 PolarHBondContact O-N 2.83Å; P30-I34 VanDerWaalsContact O-CG1 3.3Å; P30-I34 WeakPolarHBondContact O-CG1 3.46Å; P30-I34 PolarHBondContact O-N 3.18Å; P30-I34 VanDerWaalsContact O-N 3.1Å; P30-F64 HydrophobicContact CB-CB 4.02Å; P30-F64 HydrophobicContact CB-CD1 4.09Å; P30-F64 HydrophobicContact CB-CG 4.3Å; P30-F64 HydrophobicContact CG-CB 4.19Å; P30-Y65 HydrophobicContact CG-CE1 4.35Å; P30-Y65 HydrophobicContact CG-CE2 4.38Å |
| 31 | L | 81.3 | Confident | 80.5 | Confident | 90 Ų | 90 | 33.3 Ų | 33.3 | 47% | 0.471 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -69.1 | -41.2 | 177.8 | -65.5 | 173.5 | 0 | 0 | 0 | 111.3 | T28 H29 L33 I34 K35 | T28-L31 WeakPolarHBondContact O-CB 3.48Å; T28-L31 PolarHBondContact O-N 3.11Å; H29-L31 VanDerWaalsContact C-N 3.3Å; H29-L31 PolarHBondContact O-N 3.04Å; L31-L33 VanDerWaalsContact C-N 3.34Å; L31-I34 PolarHBondContact O-N 3.33Å; L31-K35 VanDerWaalsContact O-CB 3.28Å; L31-K35 WeakPolarHBondContact O-CB 3.13Å; L31-K35 PolarHBondContact O-N 2.87Å |
| 32 | D | 75.9 | Confident | 78.8 | Confident | 23 Ų | 23 | 43 Ų | 43 | 12% | 0.123 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.1 | -42.6 | 176.4 | -79.7 | -30.3 | 0 | 0 | 0 | 111.2 | T28 H29 K35 V36 | T28-D32 PolarHBondContact O-N 3.26Å; T28-D32 VanDerWaalsContact O-N 3.08Å; H29-D32 PolarHBondContact O-N 2.94Å; D32-K35 PolarHBondContact O-N 3.04Å; D32-V36 PolarHBondContact O-N 3.49Å |
| 33 | L | 77.4 | Confident | 77.2 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.8 | -49.3 | 177.9 | -174.1 | 144.6 | 0 | 0 | 0 | 111.8 | H29 P30 L31 K35 V36 H37 V55 A63 N66 M131 | H29-L33 WeakPolarHBondContact O-CB 3.25Å; H29-L33 PolarHBondContact O-N 3Å; P30-L33 PolarHBondContact O-N 2.83Å; L31-L33 VanDerWaalsContact C-N 3.34Å; L33-K35 PolarHBondContact O-N 3.1Å; L33-V36 PolarHBondContact O-N 3.35Å; L33-H37 WeakPolarHBondContact O-CB 2.93Å; L33-H37 PolarHBondContact O-N 2.91Å; L33-H37 PolarHBondContact O-ND1 2.97Å; L33-V55 HydrophobicContact CD2-CG1 4.26Å; L33-V55 HydrophobicContact CD2-CG2 4.37Å; L33-A63 WeakPolarHBondContact CD1-O 3.41Å; L33-N66 HydrophobicContact CD1-CB 4.33Å; L33-M131 HydrophobicContact CD1-CE 4.21Å |
| 34 | I | 77.7 | Confident | 75.8 | Confident | 17 Ų | 17 | 56.4 Ų | 56.4 | 9% | 0.087 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.2 | -39.4 | 176.9 | -66.6 | 166.8 | 0 | 0 | 0 | 110.2 | P30 L31 H37 L38 M48 M51 F64 | P30-I34 VanDerWaalsContact O-CG1 3.3Å; P30-I34 WeakPolarHBondContact O-CG1 3.46Å; P30-I34 PolarHBondContact O-N 3.18Å; P30-I34 VanDerWaalsContact O-N 3.1Å; L31-I34 PolarHBondContact O-N 3.33Å; I34-H37 CarbonylContact O-C 3.54Å; I34-H37 WeakPolarHBondContact O-CA 3.31Å; I34-H37 WeakPolarHBondContact O-CB 3.34Å; I34-H37 PolarHBondContact O-N 2.87Å; I34-L38 HydrophobicContact CG2-CD1 4.34Å; I34-L38 WeakPolarHBondContact O-CG 3.22Å; I34-L38 PolarHBondContact O-N 2.91Å; I34-M48 HydrophobicContact CG2-CG 3.77Å; I34-M51 HydrophobicContact CG2-CB 4.05Å; I34-M51 HydrophobicContact CG2-CG 4.02Å; I34-F64 HydrophobicContact CD1-CD1 4.44Å; I34-F64 HydrophobicContact CD1-CE1 3.87Å; I34-F64 HydrophobicContact CG1-CD1 4.36Å; I34-F64 HydrophobicContact CG1-CE1 3.94Å |
| 35 | K | 73.4 | Confident | 74.3 | Confident | 38 Ų | 38 | 63.2 Ų | 63.2 | 17% | 0.165 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -69 | -44.3 | -179.3 | -178.4 | -109.3 | -175.6 | -176.5 | 0 | 112.4 | L31 D32 L33 H37 L38 Q39 R263 | L31-K35 VanDerWaalsContact O-CB 3.28Å; L31-K35 WeakPolarHBondContact O-CB 3.13Å; L31-K35 PolarHBondContact O-N 2.87Å; D32-K35 PolarHBondContact O-N 3.04Å; L33-K35 PolarHBondContact O-N 3.1Å; K35-H37 PolarHBondContact O-N 3.46Å; K35-L38 PolarHBondContact O-N 3.32Å; K35-L38 VanDerWaalsContact O-N 3.15Å; K35-Q39 VanDerWaalsContact CE-NE2 3.25Å; K35-Q39 WeakPolarHBondContact O-CB 3.41Å; K35-Q39 WeakPolarHBondContact O-CG 3.49Å; K35-Q39 PolarHBondContact O-N 3.39Å; K35-R263 VanDerWaalsContact CD-CD 3.45Å |
| 36 | V | 68.4 | Low | 73.1 | Confident | 22 Ų | 22 | 66.1 Ų | 66.1 | 13% | 0.133 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.1 | -38.1 | 171.4 | 171.3 | 0 | 0 | 0 | 0 | 109.9 | D32 L33 L38 Q39 T40 Q128 N129 | D32-V36 PolarHBondContact O-N 3.49Å; L33-V36 PolarHBondContact O-N 3.35Å; V36-L38 PolarHBondContact O-N 3.33Å; V36-Q39 PolarHBondContact O-N 3.5Å; V36-T40 PolarHBondContact O-N 3.14Å; V36-T40 PolarHBondContact O-OG1 3.34Å; V36-Q128 HydrophobicContact CB-CB 4.47Å; V36-Q128 HydrophobicContact CG1-CB 4Å; V36-N129 WeakPolarHBondContact CG1-OD1 3.29Å |
| 37 | H | 71.3 | Confident | 72.4 | Confident | 12 Ų | 12 | 66.6 Ų | 66.6 | 6% | 0.056 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.7 | -39 | 174.6 | -78.3 | 64.1 | 0 | 0 | 0 | 113.4 | L33 I34 K35 Q41 M51 Q128 K132 | L33-H37 WeakPolarHBondContact O-CB 2.93Å; L33-H37 PolarHBondContact O-N 2.91Å; L33-H37 PolarHBondContact O-ND1 2.97Å; I34-H37 CarbonylContact O-C 3.54Å; I34-H37 WeakPolarHBondContact O-CA 3.31Å; I34-H37 WeakPolarHBondContact O-CB 3.34Å; I34-H37 PolarHBondContact O-N 2.87Å; K35-H37 PolarHBondContact O-N 3.46Å; H37-Q41 WeakPolarHBondContact O-CG 3.37Å; H37-M51 HydrophobicContact CB-CE 4.37Å; H37-M51 HydrophobicContact CB-CG 3.9Å; H37-M51 HydrophobicContact CB-SD 3.91Å; H37-Q128 PolarHBondContact CE1-O 2.91Å; H37-K132 VanDerWaalsContact CA-CE 3.47Å; H37-K132 VanDerWaalsContact CA-NZ 3.33Å; H37-K132 WeakPolarHBondContact CD2-CE 3.49Å; H37-K132 PolarHBondContact O-NZ 2.95Å |
| 38 | L | 71.8 | Confident | 71.6 | Confident | 48 Ų | 48 | 67.2 Ų | 67.2 | 25% | 0.251 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -70.1 | -41.8 | 174.3 | -72.9 | 170.7 | 0 | 0 | 0 | 112.5 | I34 K35 V36 T40 Q41 F46 M48 M51 | I34-L38 HydrophobicContact CG2-CD1 4.34Å; I34-L38 WeakPolarHBondContact O-CG 3.22Å; I34-L38 PolarHBondContact O-N 2.91Å; K35-L38 PolarHBondContact O-N 3.32Å; K35-L38 VanDerWaalsContact O-N 3.15Å; V36-L38 PolarHBondContact O-N 3.33Å; L38-T40 VanDerWaalsContact C-N 3.33Å; L38-T40 PolarHBondContact O-N 2.85Å; L38-Q41 PolarHBondContact O-N 2.77Å; L38-F46 WeakPolarHBondContact CD2-O 3.06Å; L38-M48 HydrophobicContact CD1-CB 3.93Å; L38-M48 HydrophobicContact CD1-CE 4.38Å; L38-M48 HydrophobicContact CD1-CG 4.31Å; L38-M51 HydrophobicContact CD2-CB 4.16Å; L38-M51 HydrophobicContact CD2-CE 4.19Å; L38-M51 HydrophobicContact CG-CB 4.46Å |
| 39 | Q | 65.4 | Low | 71.4 | Confident | 99 Ų | 99 | 72.4 Ų | 72.4 | 46% | 0.463 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -69.1 | -30.1 | -174.5 | -74.4 | -168.9 | -43.1 | 0 | 0 | 113.5 | K35 V36 | K35-Q39 VanDerWaalsContact CE-NE2 3.25Å; K35-Q39 WeakPolarHBondContact O-CB 3.41Å; K35-Q39 WeakPolarHBondContact O-CG 3.49Å; K35-Q39 PolarHBondContact O-N 3.39Å; V36-Q39 PolarHBondContact O-N 3.5Å |
| 40 | T | 65.1 | Low | 71.3 | Confident | 64 Ų | 64 | 74.9 Ų | 74.9 | 39% | 0.393 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 13.7 | 178.3 | 58.4 | 0 | 0 | 0 | 0 | 112.6 | V36 L38 N129 K132 | V36-T40 PolarHBondContact O-N 3.14Å; V36-T40 PolarHBondContact O-OG1 3.34Å; L38-T40 VanDerWaalsContact C-N 3.33Å; L38-T40 PolarHBondContact O-N 2.85Å; T40-N129 WeakPolarHBondContact CB-OD1 3.34Å; T40-N129 VanDerWaalsContact CG2-OD1 3.28Å; T40-N129 WeakPolarHBondContact CG2-OD1 3.27Å; T40-N129 PolarHBondContact OG1-OD1 2.85Å; T40-K132 WeakPolarHBondContact OG1-CD 3.22Å; T40-K132 WeakPolarHBondContact OG1-CE 3.41Å; T40-K132 PolarHBondContact OG1-NZ 3.16Å |
| 41 | Q | 65.5 | Low | 71 | Confident | 47 Ų | 47 | 73.7 Ų | 73.7 | 22% | 0.22 | 37% | 0.374 | C | S | . | . | trans | -76 | 125.5 | 166.4 | -58.7 | -150.9 | -74 | 0 | 0 | 110.3 | H37 L38 K43 F46 M51 | H37-Q41 WeakPolarHBondContact O-CG 3.37Å; L38-Q41 PolarHBondContact O-N 2.77Å; Q41-K43 VanDerWaalsContact C-N 3.33Å; Q41-F46 VanDerWaalsContact NE2-CD2 3.3Å; Q41-M51 HydrophobicContact CG-CE 3.88Å | ||
| 42 | Q | 56.4 | Low | 71.1 | Confident | 203 Ų | 203 | 70 Ų | 70 | 95% | 0.949 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -70.4 | -28.6 | 175.2 | -69 | -175.7 | -10.1 | 0 | 0 | 112.9 | ||
| 43 | K | 58.9 | Low | 71.5 | Confident | 158 Ų | 158 | 72.7 Ų | 72.7 | 69% | 0.687 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -122.6 | 132.4 | 174.6 | -69.9 | -178 | 178.6 | 178.9 | 0 | 109.3 | Q41 Q45 | Q41-K43 VanDerWaalsContact C-N 3.33Å; K43-Q45 HydrophobicContact CB-CG 4.09Å; K43-Q45 PolarHBondContact O-N 2.95Å |
| 44 | K | 63.7 | Low | 71.8 | Confident | 219 Ų | 219 | 77.1 Ų | 77.1 | 95% | 0.952 | 39% | 0.387 | S | S | * | . | trans | -67.4 | 75.2 | 174.5 | -81.1 | -174.2 | 175.1 | -179.7 | 0 | 110.5 | ||||
| 45 | Q | 61.8 | Low | 71.9 | Confident | 143 Ų | 143 | 76.5 Ų | 76.5 | 67% | 0.668 | 38% | 0.384 | S | S | * | . | trans | -97.2 | -23.8 | 179.3 | -72.4 | -156.3 | -31.6 | 0 | 0 | 113.1 | K43 | K43-Q45 HydrophobicContact CB-CG 4.09Å; K43-Q45 PolarHBondContact O-N 2.95Å | ||
| 46 | F | 64.5 | Low | 72.5 | Confident | 62 Ų | 62 | 82 Ų | 82 | 27% | 0.272 | 40% | 0.404 | S | S | . | . | trans | -128.2 | 140.5 | -174.6 | -57.6 | -90 | 0 | 0 | 0 | 111 | L38 Q41 M51 R54 | L38-F46 WeakPolarHBondContact CD2-O 3.06Å; Q41-F46 VanDerWaalsContact NE2-CD2 3.3Å; F46-M51 HydrophobicContact CB-CB 4.36Å; F46-M51 HydrophobicContact CB-CE 3.81Å; F46-M51 HydrophobicContact CD2-CE 4.24Å; F46-M51 HydrophobicContact CG-CE 4.21Å; F46-R54 VanDerWaalsContact CZ-NH1 3.28Å | ||
| 47 | G | 74.8 | Confident | 73.3 | Confident | 42 Ų | 42 | 89.3 Ų | 89.3 | 43% | 0.433 | 43% | 0.434 | S | S | . | . | trans | -83.5 | 175.8 | 164.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | V49 S50 M51 | G47-V49 PolarHBondContact O-N 3.18Å; G47-S50 PolarHBondContact N-OG 3.27Å; G47-S50 PolarHBondContact O-N 3.22Å; G47-S50 PolarHBondContact O-OG 3.27Å; G47-M51 VanDerWaalsContact O-CB 3.3Å; G47-M51 WeakPolarHBondContact O-CB 3.21Å; G47-M51 PolarHBondContact O-N 2.94Å | ||
| 48 | M | 74.7 | Confident | 73.8 | Confident | 89 Ų | 89 | 94.6 Ų | 94.6 | 44% | 0.438 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -59.7 | -45 | -177.3 | -173.5 | 174.4 | -94.9 | 0 | 0 | 113.1 | I34 L38 M51 G52 | I34-M48 HydrophobicContact CG2-CG 3.77Å; L38-M48 HydrophobicContact CD1-CB 3.93Å; L38-M48 HydrophobicContact CD1-CE 4.38Å; L38-M48 HydrophobicContact CD1-CG 4.31Å; M48-M51 PolarHBondContact O-N 3.06Å; M48-G52 PolarHBondContact O-N 3.28Å |
| 49 | V | 82.2 | Confident | 74.1 | Confident | 115 Ų | 115 | 95.9 Ų | 95.9 | 70% | 0.697 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -67.5 | -45.7 | 179.4 | -179.5 | 0 | 0 | 0 | 0 | 111.1 | G47 M51 G52 I53 | G47-V49 PolarHBondContact O-N 3.18Å; V49-M51 VanDerWaalsContact C-N 3.3Å; V49-M51 PolarHBondContact O-N 2.74Å; V49-G52 PolarHBondContact O-N 2.75Å; V49-G52 VanDerWaalsContact O-N 3.16Å; V49-I53 HydrophobicContact CG1-CD1 3.96Å; V49-I53 WeakPolarHBondContact O-CG1 3.19Å; V49-I53 PolarHBondContact O-N 2.66Å |
| 50 | S | 82.6 | Confident | 75 | Confident | 52 Ų | 52 | 92.4 Ų | 92.4 | 36% | 0.364 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -68 | -31.1 | 179.7 | 55.6 | 0 | 0 | 0 | 0 | 112.5 | G47 R54 | G47-S50 PolarHBondContact N-OG 3.27Å; G47-S50 PolarHBondContact O-N 3.22Å; G47-S50 PolarHBondContact O-OG 3.27Å; S50-R54 VanDerWaalsContact O-CB 3.32Å; S50-R54 WeakPolarHBondContact O-CB 3.32Å; S50-R54 PolarHBondContact O-N 3.28Å |
| 51 | M | 78.7 | Confident | 75.9 | Confident | 5 Ų | 5 | 93.6 Ų | 93.6 | 3% | 0.025 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -65.2 | -45.2 | 169.7 | -173.9 | 60.3 | 70.9 | 0 | 0 | 111.7 | I34 H37 L38 Q41 F46 G47 M48 V49 I53 R54 V55 | I34-M51 HydrophobicContact CG2-CB 4.05Å; I34-M51 HydrophobicContact CG2-CG 4.02Å; H37-M51 HydrophobicContact CB-CE 4.37Å; H37-M51 HydrophobicContact CB-CG 3.9Å; H37-M51 HydrophobicContact CB-SD 3.91Å; L38-M51 HydrophobicContact CD2-CB 4.16Å; L38-M51 HydrophobicContact CD2-CE 4.19Å; L38-M51 HydrophobicContact CG-CB 4.46Å; Q41-M51 HydrophobicContact CG-CE 3.88Å; F46-M51 HydrophobicContact CB-CB 4.36Å; F46-M51 HydrophobicContact CB-CE 3.81Å; F46-M51 HydrophobicContact CD2-CE 4.24Å; F46-M51 HydrophobicContact CG-CE 4.21Å; G47-M51 VanDerWaalsContact O-CB 3.3Å; G47-M51 WeakPolarHBondContact O-CB 3.21Å; G47-M51 PolarHBondContact O-N 2.94Å; M48-M51 PolarHBondContact O-N 3.06Å; V49-M51 VanDerWaalsContact C-N 3.3Å; V49-M51 PolarHBondContact O-N 2.74Å; M51-I53 PolarHBondContact O-N 2.61Å; M51-R54 WeakPolarHBondContact O-CB 3.21Å; M51-R54 PolarHBondContact O-N 3.27Å; M51-V55 WeakPolarHBondContact O-CG2 3.49Å; M51-V55 PolarHBondContact O-N 3.48Å |
| 52 | G | 82.4 | Confident | 76.7 | Confident | 11 Ų | 11 | 98.3 Ų | 98.3 | 11% | 0.113 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -58.7 | -47.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | M48 V49 R54 V55 W56 F64 | M48-G52 PolarHBondContact O-N 3.28Å; V49-G52 PolarHBondContact O-N 2.75Å; V49-G52 VanDerWaalsContact O-N 3.16Å; G52-R54 VanDerWaalsContact C-N 3.29Å; G52-R54 PolarHBondContact O-N 2.93Å; G52-V55 PolarHBondContact O-N 3.41Å; G52-W56 PolarHBondContact O-N 2.96Å; G52-F64 WeakPolarHBondContact O-CZ 3.29Å |
| 53 | I | 85.1 | Confident | 77.8 | Confident | 81 Ų | 81 | 88.8 Ų | 88.8 | 42% | 0.415 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -60.5 | -40.6 | 176.3 | -66 | 167.2 | 0 | 0 | 0 | 111 | V49 M51 W56 K57 | V49-I53 HydrophobicContact CG1-CD1 3.96Å; V49-I53 WeakPolarHBondContact O-CG1 3.19Å; V49-I53 PolarHBondContact O-N 2.66Å; M51-I53 PolarHBondContact O-N 2.61Å; I53-W56 PolarHBondContact O-N 2.81Å; I53-K57 HydrophobicContact CG2-CD 4.08Å; I53-K57 HydrophobicContact CG2-CG 4.32Å; I53-K57 WeakPolarHBondContact O-CB 3.46Å; I53-K57 WeakPolarHBondContact O-CG 3.04Å; I53-K57 PolarHBondContact O-N 3.37Å |
| 54 | R | 83.3 | Confident | 78.9 | Confident | 93 Ų | 93 | 82.7 Ų | 82.7 | 35% | 0.351 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.6 | -48.7 | 177.9 | 178.5 | 178.3 | 174.4 | 169 | -0.3 | 111.9 | F46 S50 M51 G52 W56 K57 Q58 | F46-R54 VanDerWaalsContact CZ-NH1 3.28Å; S50-R54 VanDerWaalsContact O-CB 3.32Å; S50-R54 WeakPolarHBondContact O-CB 3.32Å; S50-R54 PolarHBondContact O-N 3.28Å; M51-R54 WeakPolarHBondContact O-CB 3.21Å; M51-R54 PolarHBondContact O-N 3.27Å; G52-R54 VanDerWaalsContact C-N 3.29Å; G52-R54 PolarHBondContact O-N 2.93Å; R54-W56 VanDerWaalsContact C-N 3.29Å; R54-W56 PolarHBondContact O-N 3.03Å; R54-K57 PolarHBondContact O-N 3.38Å; R54-Q58 HydrophobicContact CG-CG 4.23Å; R54-Q58 WeakPolarHBondContact O-CB 3.3Å; R54-Q58 WeakPolarHBondContact O-CG 3.19Å; R54-Q58 PolarHBondContact O-N 3.49Å |
| 55 | V | 80.6 | Confident | 79.9 | Confident | 4 Ų | 4 | 77.1 Ų | 77.1 | 2% | 0.024 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -59 | -45.3 | 177.9 | 172.2 | 0 | 0 | 0 | 0 | 110 | L33 M51 G52 K57 Q58 D59 G60 A63 F64 | L33-V55 HydrophobicContact CD2-CG1 4.26Å; L33-V55 HydrophobicContact CD2-CG2 4.37Å; M51-V55 WeakPolarHBondContact O-CG2 3.49Å; M51-V55 PolarHBondContact O-N 3.48Å; G52-V55 PolarHBondContact O-N 3.41Å; V55-K57 PolarHBondContact O-N 2.78Å; V55-Q58 PolarHBondContact O-N 3.46Å; V55-D59 PolarHBondContact O-N 2.89Å; V55-G60 PolarHBondContact O-N 3.44Å; V55-A63 HydrophobicContact CG1-CB 3.96Å; V55-F64 HydrophobicContact CB-CE1 4.08Å; V55-F64 HydrophobicContact CB-CZ 4.12Å; V55-F64 HydrophobicContact CG1-CD1 4.15Å; V55-F64 HydrophobicContact CG1-CE1 3.9Å; V55-F64 HydrophobicContact CG1-CE2 4.38Å; V55-F64 HydrophobicContact CG1-CG 4.49Å; V55-F64 HydrophobicContact CG1-CZ 4.03Å |
| 56 | W | 85.7 | Confident | 80.7 | Confident | 154 Ų | 154 | 73.5 Ų | 73.5 | 58% | 0.583 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -61.9 | -44 | 178 | -176.6 | 24.6 | 0 | 0 | 0 | 112.6 | G52 I53 R54 G60 F64 | G52-W56 PolarHBondContact O-N 2.96Å; I53-W56 PolarHBondContact O-N 2.81Å; R54-W56 VanDerWaalsContact C-N 3.29Å; R54-W56 PolarHBondContact O-N 3.03Å; W56-G60 VanDerWaalsContact O-CA 3.25Å; W56-G60 WeakPolarHBondContact O-CA 3.31Å; W56-G60 PolarHBondContact O-N 3.23Å; W56-G60 VanDerWaalsContact O-N 3.14Å; W56-F64 HydrophobicContact CB-CE2 3.93Å; W56-F64 HydrophobicContact CB-CZ 4.12Å |
| 57 | K | 85.3 | Confident | 81.5 | Confident | 174 Ų | 174 | 71 Ų | 71 | 76% | 0.757 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -72.3 | -34.3 | -179.5 | -75.7 | -170.8 | 175.7 | -170.5 | 0 | 113.9 | I53 R54 V55 | I53-K57 HydrophobicContact CG2-CD 4.08Å; I53-K57 HydrophobicContact CG2-CG 4.32Å; I53-K57 WeakPolarHBondContact O-CB 3.46Å; I53-K57 WeakPolarHBondContact O-CG 3.04Å; I53-K57 PolarHBondContact O-N 3.37Å; R54-K57 PolarHBondContact O-N 3.38Å; V55-K57 PolarHBondContact O-N 2.78Å |
| 58 | Q | 82.4 | Confident | 82.1 | Confident | 123 Ų | 123 | 71.5 Ų | 71.5 | 58% | 0.575 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -87.6 | -44.7 | -176.1 | -69.4 | -166.8 | -53 | 0 | 0 | 112.6 | R54 V55 | R54-Q58 HydrophobicContact CG-CG 4.23Å; R54-Q58 WeakPolarHBondContact O-CB 3.3Å; R54-Q58 WeakPolarHBondContact O-CG 3.19Å; R54-Q58 PolarHBondContact O-N 3.49Å; V55-Q58 PolarHBondContact O-N 3.46Å |
| 59 | D | 78 | Confident | 82.9 | Confident | 75 Ų | 75 | 69.2 Ų | 69.2 | 40% | 0.401 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -118.4 | -5.5 | -168.1 | -57.7 | -48.1 | 0 | 0 | 0 | 112.9 | V55 A63 | V55-D59 PolarHBondContact O-N 2.89Å; D59-A63 HydrophobicContact CB-CB 3.28Å |
| 60 | G | 83.4 | Confident | 83.1 | Confident | 27 Ų | 27 | 63.7 Ų | 63.7 | 28% | 0.278 | 32% | 0.321 | S | S | . | . | trans | 82.2 | -178.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | V55 W56 A63 | V55-G60 PolarHBondContact O-N 3.44Å; W56-G60 VanDerWaalsContact O-CA 3.25Å; W56-G60 WeakPolarHBondContact O-CA 3.31Å; W56-G60 PolarHBondContact O-N 3.23Å; W56-G60 VanDerWaalsContact O-N 3.14Å; G60-A63 WeakPolarHBondContact O-CB 3.33Å; G60-A63 PolarHBondContact O-N 2.85Å | ||
| 61 | V | 83.4 | Confident | 83.4 | Confident | 89 Ų | 89 | 61.2 Ų | 61.2 | 54% | 0.539 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -69.9 | -34 | -175 | -179.5 | 0 | 0 | 0 | 0 | 112.1 | A63 F64 | V61-A63 PolarHBondContact O-N 2.99Å; V61-F64 WeakPolarHBondContact O-CD2 3.39Å; V61-F64 PolarHBondContact O-N 3.4Å |
| 62 | L | 83.2 | Confident | 84 | Confident | 145 Ų | 145 | 63.7 Ų | 63.7 | 76% | 0.759 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -66.8 | -23.3 | 179.5 | -65.8 | 177.2 | 0 | 0 | 0 | 112.3 | F64 Y65 | L62-F64 PolarHBondContact O-N 2.87Å; L62-Y65 PolarHBondContact O-N 3.24Å |
| 63 | A | 79.8 | Confident | 84.6 | Confident | 3 Ų | 3 | 65.1 Ų | 65.1 | 3% | 0.025 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -62.2 | -27.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | L33 V55 D59 G60 V61 Y65 N66 M131 | L33-A63 WeakPolarHBondContact CD1-O 3.41Å; V55-A63 HydrophobicContact CG1-CB 3.96Å; D59-A63 HydrophobicContact CB-CB 3.28Å; G60-A63 WeakPolarHBondContact O-CB 3.33Å; G60-A63 PolarHBondContact O-N 2.85Å; V61-A63 PolarHBondContact O-N 2.99Å; A63-Y65 PolarHBondContact O-N 2.75Å; A63-Y65 VanDerWaalsContact O-N 3.16Å; A63-N66 WeakPolarHBondContact O-CB 3.46Å; A63-N66 PolarHBondContact O-N 2.9Å; A63-N66 VanDerWaalsContact O-N 3.14Å; A63-M131 HydrophobicContact CB-CE 4.32Å |
| 64 | F | 82.3 | Confident | 84.8 | Confident | 30 Ų | 30 | 63.1 Ų | 63.1 | 13% | 0.132 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -62.4 | -19.5 | 173.6 | -71.2 | -71 | 0 | 0 | 0 | 113.3 | H29 P30 I34 G52 V55 W56 V61 L62 | H29-F64 PolarHBondContact CD2-O 3.14Å; P30-F64 HydrophobicContact CB-CB 4.02Å; P30-F64 HydrophobicContact CB-CD1 4.09Å; P30-F64 HydrophobicContact CB-CG 4.3Å; P30-F64 HydrophobicContact CG-CB 4.19Å; I34-F64 HydrophobicContact CD1-CD1 4.44Å; I34-F64 HydrophobicContact CD1-CE1 3.87Å; I34-F64 HydrophobicContact CG1-CD1 4.36Å; I34-F64 HydrophobicContact CG1-CE1 3.94Å; G52-F64 WeakPolarHBondContact O-CZ 3.29Å; V55-F64 HydrophobicContact CB-CE1 4.08Å; V55-F64 HydrophobicContact CB-CZ 4.12Å; V55-F64 HydrophobicContact CG1-CD1 4.15Å; V55-F64 HydrophobicContact CG1-CE1 3.9Å; V55-F64 HydrophobicContact CG1-CE2 4.38Å; V55-F64 HydrophobicContact CG1-CG 4.49Å; V55-F64 HydrophobicContact CG1-CZ 4.03Å; W56-F64 HydrophobicContact CB-CE2 3.93Å; W56-F64 HydrophobicContact CB-CZ 4.12Å; V61-F64 WeakPolarHBondContact O-CD2 3.39Å; V61-F64 PolarHBondContact O-N 3.4Å; L62-F64 PolarHBondContact O-N 2.87Å |
| 65 | Y | 84.7 | Confident | 85.2 | Confident | 102 Ų | 102 | 58.8 Ų | 58.8 | 40% | 0.4 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -103.7 | 6.8 | 178.9 | -69 | -80.3 | 0 | 0 | 0 | 113.8 | H29 P30 L62 A63 G67 I68 | H29-Y65 HydrophobicContact CB-CD1 4.49Å; P30-Y65 HydrophobicContact CG-CE1 4.35Å; P30-Y65 HydrophobicContact CG-CE2 4.38Å; L62-Y65 PolarHBondContact O-N 3.24Å; A63-Y65 PolarHBondContact O-N 2.75Å; A63-Y65 VanDerWaalsContact O-N 3.16Å; Y65-G67 PolarHBondContact O-N 2.66Å; Y65-I68 HydrophobicContact CD1-CD1 3.87Å; Y65-I68 HydrophobicContact CE1-CD1 4.46Å; Y65-I68 VanDerWaalsContact O-CB 3.29Å; Y65-I68 WeakPolarHBondContact O-CB 3.5Å; Y65-I68 WeakPolarHBondContact O-CG2 3.34Å; Y65-I68 PolarHBondContact O-N 2.95Å |
| 66 | N | 78.6 | Confident | 85.8 | Confident | 68 Ų | 68 | 61.7 Ų | 61.7 | 36% | 0.364 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | 131.4 | 173.5 | -78.7 | -24.5 | 0 | 0 | 0 | 110.7 | H29 L33 A63 M131 | H29-N66 PolarHBondContact NE2-O 3.35Å; L33-N66 HydrophobicContact CD1-CB 4.33Å; A63-N66 WeakPolarHBondContact O-CB 3.46Å; A63-N66 PolarHBondContact O-N 2.9Å; A63-N66 VanDerWaalsContact O-N 3.14Å; N66-M131 HydrophobicContact CB-CE 3.82Å; N66-M131 HydrophobicContact CB-SD 3.57Å; N66-M131 VanDerWaalsContact CB-SD 3.57Å; N66-M131 WeakPolarHBondContact ND2-CE 3.26Å; N66-M131 PolarHBondContact ND2-SD 3.04Å |
| 67 | G | 79.9 | Confident | 86.2 | Confident | 8 Ų | 8 | 56 Ų | 56 | 8% | 0.082 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.3 | 7.9 | -174 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y65 S69 A70 S71 | Y65-G67 PolarHBondContact O-N 2.66Å; G67-S69 PolarHBondContact O-N 2.99Å; G67-A70 WeakPolarHBondContact O-CB 3.27Å; G67-A70 PolarHBondContact O-N 2.94Å; G67-S71 PolarHBondContact O-N 2.9Å |
| 68 | I | 87.2 | Confident | 86.5 | Confident | 54 Ų | 54 | 48.6 Ų | 48.6 | 28% | 0.277 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -55.8 | -37.7 | 178.3 | -164.6 | -174.6 | 0 | 0 | 0 | 112.2 | A26 H29 Y65 A70 S71 I72 | A26-I68 HydrophobicContact CB-CD1 4.47Å; H29-I68 PolarHBondContact NE2-N 2.71Å; Y65-I68 HydrophobicContact CD1-CD1 3.87Å; Y65-I68 HydrophobicContact CE1-CD1 4.46Å; Y65-I68 VanDerWaalsContact O-CB 3.29Å; Y65-I68 WeakPolarHBondContact O-CB 3.5Å; Y65-I68 WeakPolarHBondContact O-CG2 3.34Å; Y65-I68 PolarHBondContact O-N 2.95Å; I68-A70 VanDerWaalsContact C-N 3.25Å; I68-A70 PolarHBondContact O-N 3.45Å; I68-S71 PolarHBondContact O-N 3.41Å; I68-I72 HydrophobicContact CD1-CD1 4.14Å; I68-I72 HydrophobicContact CG1-CD1 3.92Å; I68-I72 HydrophobicContact CG1-CG1 4.25Å; I68-I72 WeakPolarHBondContact O-CG1 3.11Å; I68-I72 PolarHBondContact O-N 3.45Å |
| 69 | S | 91.3 | Very high | 86.9 | Confident | 40 Ų | 40 | 42.8 Ų | 42.8 | 28% | 0.28 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -60.5 | -36.2 | 177 | 59.8 | 0 | 0 | 0 | 0 | 112.2 | G67 L73 C144 | G67-S69 PolarHBondContact O-N 2.99Å; S69-L73 VanDerWaalsContact O-CB 3.31Å; S69-L73 WeakPolarHBondContact O-CB 3.38Å; S69-L73 PolarHBondContact O-N 2.9Å; S69-C144 PolarHBondContact O-SG 3.36Å; S69-C144 PolarHBondContact OG-N 3.49Å |
| 70 | A | 87.7 | Confident | 87.6 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -77.3 | -37.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | G67 I68 L73 R74 I123 N124 M127 C144 | G67-A70 WeakPolarHBondContact O-CB 3.27Å; G67-A70 PolarHBondContact O-N 2.94Å; I68-A70 VanDerWaalsContact C-N 3.25Å; I68-A70 PolarHBondContact O-N 3.45Å; A70-L73 PolarHBondContact O-N 3.2Å; A70-R74 VanDerWaalsContact O-CB 3.3Å; A70-R74 WeakPolarHBondContact O-CB 3.3Å; A70-R74 PolarHBondContact O-N 3.35Å; A70-I123 HydrophobicContact CB-CG2 4.2Å; A70-N124 HydrophobicContact CB-CB 3.78Å; A70-M127 HydrophobicContact CB-SD 3.73Å; A70-C144 HydrophobicContact CB-CB 3.83Å |
| 71 | S | 88 | Confident | 88.1 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61 | -45.8 | 171.7 | -85.9 | 0 | 0 | 0 | 0 | 112 | H29 G67 I68 R74 Q75 N124 Q128 | H29-S71 PolarHBondContact CE1-OG 3.43Å; H29-S71 VanDerWaalsContact ND1-CB 3.34Å; H29-S71 WeakPolarHBondContact ND1-CB 3.25Å; H29-S71 PolarHBondContact ND1-OG 3.16Å; G67-S71 PolarHBondContact O-N 2.9Å; I68-S71 PolarHBondContact O-N 3.41Å; S71-R74 WeakPolarHBondContact O-CB 2.89Å; S71-R74 PolarHBondContact O-N 3.28Å; S71-Q75 WeakPolarHBondContact O-CG 3.41Å; S71-Q75 PolarHBondContact O-N 2.88Å; S71-N124 PolarHBondContact N-OD1 3.47Å; S71-N124 PolarHBondContact OG-ND2 3.12Å; S71-N124 PolarHBondContact OG-OD1 2.8Å; S71-Q128 PolarHBondContact OG-NE2 3.19Å |
| 72 | I | 92.7 | Very high | 88.5 | Confident | 57 Ų | 57 | 37.8 Ų | 37.8 | 29% | 0.292 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -63.2 | -48.8 | 177 | -69.6 | 169.1 | 0 | 0 | 0 | 109.9 | A22 I68 R74 Q75 L76 | A22-I72 HydrophobicContact CB-CG2 4.43Å; I68-I72 HydrophobicContact CD1-CD1 4.14Å; I68-I72 HydrophobicContact CG1-CD1 3.92Å; I68-I72 HydrophobicContact CG1-CG1 4.25Å; I68-I72 WeakPolarHBondContact O-CG1 3.11Å; I68-I72 PolarHBondContact O-N 3.45Å; I72-R74 VanDerWaalsContact C-N 3.26Å; I72-R74 PolarHBondContact O-N 3.39Å; I72-Q75 PolarHBondContact O-N 3.02Å; I72-L76 HydrophobicContact CG2-CD1 3.75Å; I72-L76 HydrophobicContact CG2-CG 4.15Å; I72-L76 WeakPolarHBondContact O-CG 3.33Å; I72-L76 PolarHBondContact O-N 3.35Å |
| 73 | L | 93.1 | Very high | 88.9 | Confident | 41 Ų | 41 | 31 Ų | 31 | 22% | 0.215 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -56.1 | -44.7 | 177.3 | -178.4 | 63.5 | 0 | 0 | 0 | 111.1 | S69 A70 Q75 L76 T77 A120 C144 L148 | S69-L73 VanDerWaalsContact O-CB 3.31Å; S69-L73 WeakPolarHBondContact O-CB 3.38Å; S69-L73 PolarHBondContact O-N 2.9Å; A70-L73 PolarHBondContact O-N 3.2Å; L73-Q75 VanDerWaalsContact C-N 3.33Å; L73-Q75 PolarHBondContact O-N 3.33Å; L73-L76 PolarHBondContact O-N 3.45Å; L73-T77 HydrophobicContact CD1-CG2 4.13Å; L73-T77 HydrophobicContact CG-CG2 4.48Å; L73-T77 WeakPolarHBondContact O-CG2 3.48Å; L73-T77 PolarHBondContact O-N 2.9Å; L73-T77 PolarHBondContact O-OG1 3.47Å; L73-A120 HydrophobicContact CB-CB 4.42Å; L73-A120 HydrophobicContact CD2-CB 4.1Å; L73-A120 HydrophobicContact CG-CB 3.84Å; L73-C144 HydrophobicContact CB-CB 4.42Å; L73-C144 HydrophobicContact CD2-CB 3.94Å; L73-L148 HydrophobicContact CD2-CD1 3.62Å |
| 74 | R | 90 | Very high | 89.5 | Confident | 38 Ų | 38 | 31.2 Ų | 31.2 | 14% | 0.143 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -57.4 | -45.6 | 176.2 | -176 | -173.3 | 63.6 | 75 | -2.3 | 111.3 | A70 S71 I72 T77 Y78 A120 D121 | A70-R74 VanDerWaalsContact O-CB 3.3Å; A70-R74 WeakPolarHBondContact O-CB 3.3Å; A70-R74 PolarHBondContact O-N 3.35Å; S71-R74 WeakPolarHBondContact O-CB 2.89Å; S71-R74 PolarHBondContact O-N 3.28Å; I72-R74 VanDerWaalsContact C-N 3.26Å; I72-R74 PolarHBondContact O-N 3.39Å; R74-T77 PolarHBondContact O-N 3.45Å; R74-T77 PolarHBondContact O-OG1 2.86Å; R74-Y78 WeakPolarHBondContact O-CB 3.17Å; R74-Y78 PolarHBondContact O-N 3.49Å; R74-A120 HydrophobicContact CB-CB 4.04Å; R74-D121 WeakPolarHBondContact CD-OD1 3.46Å; R74-D121 HydrophobicContact CG-CB 4.32Å |
| 75 | Q | 92.4 | Very high | 90 | Very high | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.009 | 17% | 0.171 | C | C | . | . | I | π-helix | trans | -67.8 | -39.8 | 178.6 | -63.1 | -65.6 | 1.4 | 0 | 0 | 112.4 | A22 A25 S71 I72 L73 T77 S79 M80 H267 | A22-Q75 HydrophobicContact CB-CB 4.17Å; A25-Q75 HydrophobicContact CB-CG 3.6Å; S71-Q75 WeakPolarHBondContact O-CG 3.41Å; S71-Q75 PolarHBondContact O-N 2.88Å; I72-Q75 PolarHBondContact O-N 3.02Å; L73-Q75 VanDerWaalsContact C-N 3.33Å; L73-Q75 PolarHBondContact O-N 3.33Å; Q75-T77 VanDerWaalsContact C-N 3.31Å; Q75-T77 PolarHBondContact O-N 3.44Å; Q75-S79 VanDerWaalsContact O-CA 3.32Å; Q75-S79 WeakPolarHBondContact O-CA 3.32Å; Q75-S79 WeakPolarHBondContact O-CB 3.31Å; Q75-S79 PolarHBondContact O-N 2.9Å; Q75-S79 PolarHBondContact OE1-OG 3.26Å; Q75-M80 PolarHBondContact O-N 2.9Å; Q75-H267 PolarHBondContact NE2-NE2 2.99Å |
| 76 | L | 93.2 | Very high | 90.4 | Very high | 65 Ų | 65 | 28.2 Ų | 28.2 | 34% | 0.34 | 15% | 0.152 | S | C | . | . | I | π-helix | trans | -68.1 | -29.5 | 178.1 | -67.1 | 177.7 | 0 | 0 | 0 | 112.4 | A22 I72 L73 M80 | A22-L76 HydrophobicContact CB-CD2 4.15Å; A22-L76 HydrophobicContact CB-CG 4.45Å; I72-L76 HydrophobicContact CG2-CD1 3.75Å; I72-L76 HydrophobicContact CG2-CG 4.15Å; I72-L76 WeakPolarHBondContact O-CG 3.33Å; I72-L76 PolarHBondContact O-N 3.35Å; L73-L76 PolarHBondContact O-N 3.45Å; L76-M80 HydrophobicContact CD2-CE 3.84Å; L76-M80 WeakPolarHBondContact O-CB 3.28Å |
| 77 | T | 93.2 | Very high | 90.8 | Very high | 34 Ų | 34 | 26.4 Ų | 26.4 | 21% | 0.209 | 14% | 0.142 | C | C | . | . | I | π-helix | trans | -85.1 | -55 | 174.6 | 54.7 | 0 | 0 | 0 | 0 | 111.1 | L73 R74 Q75 T81 | L73-T77 HydrophobicContact CD1-CG2 4.13Å; L73-T77 HydrophobicContact CG-CG2 4.48Å; L73-T77 WeakPolarHBondContact O-CG2 3.48Å; L73-T77 PolarHBondContact O-N 2.9Å; L73-T77 PolarHBondContact O-OG1 3.47Å; R74-T77 PolarHBondContact O-N 3.45Å; R74-T77 PolarHBondContact O-OG1 2.86Å; Q75-T77 VanDerWaalsContact C-N 3.31Å; Q75-T77 PolarHBondContact O-N 3.44Å; T77-T81 VanDerWaalsContact O-CB 3.27Å; T77-T81 WeakPolarHBondContact O-CB 3.28Å; T77-T81 PolarHBondContact O-N 3.2Å; T77-T81 PolarHBondContact O-OG1 2.87Å |
| 78 | Y | 91.2 | Very high | 91.3 | Very high | 20 Ų | 20 | 29.6 Ų | 29.6 | 8% | 0.078 | 16% | 0.16 | C | C | . | . | I | π-helix | trans | -68.9 | -57.7 | -175.8 | 167.2 | -117.5 | 0 | 0 | 0 | 112.3 | R74 T81 R82 G113 A171 T175 | R74-Y78 WeakPolarHBondContact O-CB 3.17Å; R74-Y78 PolarHBondContact O-N 3.49Å; Y78-T81 PolarHBondContact O-N 2.6Å; Y78-R82 VanDerWaalsContact CZ-CD 3.42Å; Y78-R82 PolarHBondContact O-N 3.4Å; Y78-G113 VanDerWaalsContact CD2-C 3.47Å; Y78-G113 WeakPolarHBondContact CD2-O 3.47Å; Y78-A171 HydrophobicContact CE2-CB 3.65Å; Y78-T175 PolarHBondContact OH-OG1 3.17Å |
| 79 | S | 91.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | I | π-helix | trans | -74.3 | -35.3 | -171.9 | -67.4 | 0 | 0 | 0 | 0 | 111.8 | S21 Q75 T81 R82 F83 | S21-S79 VanDerWaalsContact CB-CB 3.42Å; S21-S79 WeakPolarHBondContact CB-OG 3.31Å; S21-S79 VanDerWaalsContact OG-CB 3.25Å; S21-S79 WeakPolarHBondContact OG-CB 3.26Å; S21-S79 PolarHBondContact OG-OG 3.31Å; Q75-S79 VanDerWaalsContact O-CA 3.32Å; Q75-S79 WeakPolarHBondContact O-CA 3.32Å; Q75-S79 WeakPolarHBondContact O-CB 3.31Å; Q75-S79 PolarHBondContact O-N 2.9Å; Q75-S79 PolarHBondContact OE1-OG 3.26Å; S79-T81 VanDerWaalsContact C-N 3.33Å; S79-T81 PolarHBondContact O-N 3.36Å; S79-R82 WeakPolarHBondContact O-CG 3.36Å; S79-R82 PolarHBondContact OG-NE 3.46Å; S79-F83 WeakPolarHBondContact O-CB 3.27Å; S79-F83 VanDerWaalsContact O-CD2 3.31Å; S79-F83 WeakPolarHBondContact O-CD2 3.44Å; S79-F83 PolarHBondContact O-N 2.62Å |
| 80 | M | 92.6 | Very high | 91.2 | Very high | 48 Ų | 48 | 31.9 Ų | 31.9 | 24% | 0.236 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.7 | -41.9 | 173 | -165.7 | 177.6 | -70.6 | 0 | 0 | 111.7 | W14 Q75 L76 G84 | W14-M80 HydrophobicContact CE3-CG 4.27Å; W14-M80 HydrophobicContact CH2-SD 4.39Å; W14-M80 HydrophobicContact CZ3-CG 3.8Å; W14-M80 HydrophobicContact CZ3-SD 3.79Å; Q75-M80 PolarHBondContact O-N 2.9Å; L76-M80 HydrophobicContact CD2-CE 3.84Å; L76-M80 WeakPolarHBondContact O-CB 3.28Å; M80-G84 VanDerWaalsContact O-CA 3.3Å; M80-G84 WeakPolarHBondContact O-CA 3.12Å; M80-G84 PolarHBondContact O-N 3.19Å |
| 81 | T | 93.7 | Very high | 91 | Very high | 35 Ų | 35 | 35.8 Ų | 35.8 | 22% | 0.215 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65 | -48.7 | 178.8 | -58.8 | 0 | 0 | 0 | 0 | 111.3 | T77 Y78 S79 G84 I85 C112 V116 | T77-T81 VanDerWaalsContact O-CB 3.27Å; T77-T81 WeakPolarHBondContact O-CB 3.28Å; T77-T81 PolarHBondContact O-N 3.2Å; T77-T81 PolarHBondContact O-OG1 2.87Å; Y78-T81 PolarHBondContact O-N 2.6Å; S79-T81 VanDerWaalsContact C-N 3.33Å; S79-T81 PolarHBondContact O-N 3.36Å; T81-G84 PolarHBondContact O-N 3.1Å; T81-I85 HydrophobicContact CG2-CD1 3.77Å; T81-I85 VanDerWaalsContact O-CG1 3.29Å; T81-I85 WeakPolarHBondContact O-CG1 3.36Å; T81-I85 PolarHBondContact O-N 3.5Å; T81-C112 HydrophobicContact CG2-CB 4.39Å; T81-V116 HydrophobicContact CG2-CB 4.49Å; T81-V116 HydrophobicContact CG2-CG2 4.29Å |
| 82 | R | 93.2 | Very high | 90.9 | Very high | 4 Ų | 4 | 40.1 Ų | 40.1 | 2% | 0.015 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.4 | -45.6 | -177.2 | 80.6 | -165 | 177.3 | 116.7 | 0.3 | 112.3 | Y78 S79 Y86 S109 T175 L179 | Y78-R82 VanDerWaalsContact CZ-CD 3.42Å; Y78-R82 PolarHBondContact O-N 3.4Å; S79-R82 WeakPolarHBondContact O-CG 3.36Å; S79-R82 PolarHBondContact OG-NE 3.46Å; R82-Y86 VanDerWaalsContact O-CB 3.25Å; R82-Y86 WeakPolarHBondContact O-CB 3.4Å; R82-Y86 PolarHBondContact O-N 3.24Å; R82-S109 WeakPolarHBondContact O-CB 3.46Å; R82-T175 HydrophobicContact CB-CG2 4.19Å; R82-T175 HydrophobicContact CG-CG2 4.41Å; R82-L179 VanDerWaalsContact NH1-CD1 3.33Å |
| 83 | F | 91.2 | Very high | 90.6 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 0% | 0.004 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -68.9 | -38.9 | 176.9 | -84 | -76.5 | 0 | 0 | 0 | 110.8 | S79 I85 Y86 E87 L179 T271 F272 L275 | S79-F83 WeakPolarHBondContact O-CB 3.27Å; S79-F83 VanDerWaalsContact O-CD2 3.31Å; S79-F83 WeakPolarHBondContact O-CD2 3.44Å; S79-F83 PolarHBondContact O-N 2.62Å; F83-I85 PolarHBondContact O-N 2.96Å; F83-Y86 PolarHBondContact O-N 3.39Å; F83-E87 HydrophobicContact CD1-CG 4.45Å; F83-E87 VanDerWaalsContact O-CB 3.22Å; F83-E87 WeakPolarHBondContact O-CB 3.33Å; F83-E87 WeakPolarHBondContact O-CG 3.46Å; F83-E87 PolarHBondContact O-N 3.36Å; F83-L179 HydrophobicContact CD1-CD2 3.9Å; F83-L179 HydrophobicContact CE1-CD1 4.38Å; F83-L179 HydrophobicContact CE1-CD2 3.97Å; F83-L179 HydrophobicContact CE1-CG 4.07Å; F83-L179 HydrophobicContact CG-CD2 4.46Å; F83-L179 HydrophobicContact CZ-CD1 4.29Å; F83-L179 HydrophobicContact CZ-CG 4.46Å; F83-T271 HydrophobicContact CE2-CG2 4.09Å; F83-T271 HydrophobicContact CZ-CG2 4.11Å; F83-F272 HydrophobicContact CE1-CE1 4.25Å; F83-F272 HydrophobicContact CZ-CE1 4.28Å; F83-F272 HydrophobicContact CZ-CZ 4.47Å; F83-L275 HydrophobicContact CD1-CD2 4.36Å; F83-L275 HydrophobicContact CE1-CD2 3.74Å; F83-L275 HydrophobicContact CZ-CD2 4.29Å |
| 84 | G | 92.2 | Very high | 89.8 | Confident | 9 Ų | 9 | 46.4 Ų | 46.4 | 9% | 0.093 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.3 | -48.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | M80 T81 T88 | M80-G84 VanDerWaalsContact O-CA 3.3Å; M80-G84 WeakPolarHBondContact O-CA 3.12Å; M80-G84 PolarHBondContact O-N 3.19Å; T81-G84 PolarHBondContact O-N 3.1Å; G84-T88 WeakPolarHBondContact O-CB 3.24Å; G84-T88 PolarHBondContact O-N 3.27Å; G84-T88 VanDerWaalsContact O-N 3.07Å; G84-T88 PolarHBondContact O-OG1 3.33Å |
| 85 | I | 93.5 | Very high | 89.3 | Confident | 67 Ų | 67 | 47.6 Ų | 47.6 | 34% | 0.344 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64.6 | -49.1 | 176.5 | -64.8 | 167 | 0 | 0 | 0 | 110.6 | T81 F83 Y89 C112 | T81-I85 HydrophobicContact CG2-CD1 3.77Å; T81-I85 VanDerWaalsContact O-CG1 3.29Å; T81-I85 WeakPolarHBondContact O-CG1 3.36Å; T81-I85 PolarHBondContact O-N 3.5Å; F83-I85 PolarHBondContact O-N 2.96Å; I85-Y89 WeakPolarHBondContact O-CB 3.39Å; I85-Y89 PolarHBondContact O-N 3.48Å; I85-C112 HydrophobicContact CD1-CB 3.71Å |
| 86 | Y | 91.6 | Very high | 88.6 | Confident | 1 Ų | 1 | 52.9 Ų | 52.9 | 0% | 0.004 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65 | -49.1 | -175 | -174.4 | -92.6 | 0 | 0 | 0 | 112.7 | R82 F83 Y89 K90 S102 V105 A106 L179 D183 | R82-Y86 VanDerWaalsContact O-CB 3.25Å; R82-Y86 WeakPolarHBondContact O-CB 3.4Å; R82-Y86 PolarHBondContact O-N 3.24Å; F83-Y86 PolarHBondContact O-N 3.39Å; Y86-Y89 PolarHBondContact O-N 2.95Å; Y86-K90 HydrophobicContact CE1-CD 4.12Å; Y86-K90 VanDerWaalsContact O-CB 3.31Å; Y86-K90 WeakPolarHBondContact O-CB 3.38Å; Y86-K90 PolarHBondContact O-N 3.43Å; Y86-S102 WeakPolarHBondContact CE2-O 3.31Å; Y86-V105 HydrophobicContact CD2-CB 4.28Å; Y86-V105 HydrophobicContact CD2-CG1 3.84Å; Y86-V105 HydrophobicContact CG-CG1 4.5Å; Y86-A106 HydrophobicContact CD2-CB 4.06Å; Y86-A106 HydrophobicContact CE2-CB 3.92Å; Y86-L179 HydrophobicContact CD1-CB 4.38Å; Y86-L179 HydrophobicContact CD1-CD2 3.62Å; Y86-L179 HydrophobicContact CD1-CG 4.5Å; Y86-L179 HydrophobicContact CD2-CB 4.48Å; Y86-L179 HydrophobicContact CD2-CD2 4.2Å; Y86-L179 HydrophobicContact CE1-CB 4.19Å; Y86-L179 HydrophobicContact CE1-CD2 4.25Å; Y86-L179 HydrophobicContact CE2-CB 4.32Å; Y86-L179 HydrophobicContact CG-CD2 3.58Å; Y86-D183 VanDerWaalsContact CE1-OD2 3.26Å; Y86-D183 WeakPolarHBondContact CE1-OD2 3.43Å; Y86-D183 PolarHBondContact OH-OD2 3.21Å |
| 87 | E | 88.1 | Confident | 88.2 | Confident | 30 Ų | 30 | 50.8 Ų | 50.8 | 14% | 0.14 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -69.6 | -40 | -179.2 | -68.2 | -59.6 | 140.1 | 0 | 0 | 112 | F83 Y89 K90 Q91 | F83-E87 HydrophobicContact CD1-CG 4.45Å; F83-E87 VanDerWaalsContact O-CB 3.22Å; F83-E87 WeakPolarHBondContact O-CB 3.33Å; F83-E87 WeakPolarHBondContact O-CG 3.46Å; F83-E87 PolarHBondContact O-N 3.36Å; E87-Y89 VanDerWaalsContact C-N 3.32Å; E87-Y89 PolarHBondContact O-N 2.94Å; E87-K90 VanDerWaalsContact CD-NZ 3.26Å; E87-K90 PolarHBondContact O-N 2.92Å; E87-K90 IonicContact OE1-NZ 3.18Å; E87-K90 PolarHBondContact OE1-NZ 3.44Å; E87-K90 WeakPolarHBondContact OE2-CE 3.4Å; E87-K90 IonicContact OE2-NZ 3.55Å; E87-K90 PolarHBondContact OE2-NZ 2.93Å; E87-Q91 VanDerWaalsContact O-CB 3.31Å; E87-Q91 WeakPolarHBondContact O-CB 3.37Å; E87-Q91 WeakPolarHBondContact O-CG 3.47Å; E87-Q91 PolarHBondContact O-N 3.23Å |
| 88 | T | 89.6 | Confident | 88.1 | Confident | 75 Ų | 75 | 52.6 Ų | 52.6 | 46% | 0.46 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.6 | -42.3 | 176.5 | -55.9 | 0 | 0 | 0 | 0 | 110.9 | G84 Q91 S92 | G84-T88 WeakPolarHBondContact O-CB 3.24Å; G84-T88 PolarHBondContact O-N 3.27Å; G84-T88 VanDerWaalsContact O-N 3.07Å; G84-T88 PolarHBondContact O-OG1 3.33Å; T88-Q91 PolarHBondContact O-N 2.91Å; T88-S92 PolarHBondContact O-N 2.78Å |
| 89 | Y | 91.1 | Very high | 88 | Confident | 86 Ų | 86 | 55.4 Ų | 55.4 | 34% | 0.337 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65 | -44.4 | 176.2 | -169.7 | -90.1 | 0 | 0 | 0 | 111.8 | I85 Y86 E87 Q91 S92 L97 E101 V105 | I85-Y89 WeakPolarHBondContact O-CB 3.39Å; I85-Y89 PolarHBondContact O-N 3.48Å; Y86-Y89 PolarHBondContact O-N 2.95Å; E87-Y89 VanDerWaalsContact C-N 3.32Å; E87-Y89 PolarHBondContact O-N 2.94Å; Y89-Q91 VanDerWaalsContact C-N 3.34Å; Y89-Q91 PolarHBondContact O-N 3.44Å; Y89-S92 WeakPolarHBondContact O-CB 3.36Å; Y89-S92 PolarHBondContact O-N 2.86Å; Y89-L97 HydrophobicContact CD1-CD1 4.13Å; Y89-L97 HydrophobicContact CD1-CD2 4.33Å; Y89-L97 HydrophobicContact CE1-CD2 3.98Å; Y89-E101 HydrophobicContact CE1-CG 4.11Å; Y89-E101 WeakPolarHBondContact CE1-OE1 3.24Å; Y89-E101 PolarHBondContact OH-OE1 2.83Å; Y89-V105 HydrophobicContact CD1-CB 4.31Å; Y89-V105 HydrophobicContact CD1-CG1 4.03Å; Y89-V105 HydrophobicContact CD1-CG2 3.4Å; Y89-V105 HydrophobicContact CD2-CG2 4.46Å; Y89-V105 HydrophobicContact CE1-CG2 3.47Å; Y89-V105 VanDerWaalsContact CE1-CG2 3.47Å; Y89-V105 HydrophobicContact CG-CG1 4.01Å; Y89-V105 HydrophobicContact CG-CG2 3.92Å |
| 90 | K | 86.3 | Confident | 88 | Confident | 56 Ų | 56 | 59.5 Ų | 59.5 | 24% | 0.243 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60 | -43.8 | 177.1 | -168.8 | 172.1 | 78.9 | -166.5 | 0 | 111.7 | Y86 E87 S92 K93 L97 D183 | Y86-K90 HydrophobicContact CE1-CD 4.12Å; Y86-K90 VanDerWaalsContact O-CB 3.31Å; Y86-K90 WeakPolarHBondContact O-CB 3.38Å; Y86-K90 PolarHBondContact O-N 3.43Å; E87-K90 VanDerWaalsContact CD-NZ 3.26Å; E87-K90 PolarHBondContact O-N 2.92Å; E87-K90 IonicContact OE1-NZ 3.18Å; E87-K90 PolarHBondContact OE1-NZ 3.44Å; E87-K90 WeakPolarHBondContact OE2-CE 3.4Å; E87-K90 IonicContact OE2-NZ 3.55Å; E87-K90 PolarHBondContact OE2-NZ 2.93Å; K90-S92 VanDerWaalsContact C-N 3.32Å; K90-S92 PolarHBondContact O-N 3.45Å; K90-K93 PolarHBondContact O-N 3.05Å; K90-K93 VanDerWaalsContact O-O 3.09Å; K90-L97 HydrophobicContact CB-CD1 4Å; K90-L97 HydrophobicContact CG-CD1 3.98Å; K90-L97 HydrophobicContact CG-CG 4.48Å; K90-D183 IonicContact NZ-OD1 3.6Å; K90-D183 IonicContact NZ-OD2 3.63Å |
| 91 | Q | 83.1 | Confident | 88 | Confident | 82 Ų | 82 | 59.6 Ų | 59.6 | 38% | 0.383 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -69.8 | -27.4 | 178.4 | -70.7 | 172.2 | 22.3 | 0 | 0 | 113.1 | V11 G12 E87 T88 Y89 K93 | V11-Q91 HydrophobicContact CG1-CG 3.77Å; G12-Q91 PolarHBondContact O-NE2 3.03Å; E87-Q91 VanDerWaalsContact O-CB 3.31Å; E87-Q91 WeakPolarHBondContact O-CB 3.37Å; E87-Q91 WeakPolarHBondContact O-CG 3.47Å; E87-Q91 PolarHBondContact O-N 3.23Å; T88-Q91 PolarHBondContact O-N 2.91Å; Y89-Q91 VanDerWaalsContact C-N 3.34Å; Y89-Q91 PolarHBondContact O-N 3.44Å; Q91-K93 PolarHBondContact O-N 3.15Å |
| 92 | S | 86.8 | Confident | 87.9 | Confident | 92 Ų | 92 | 58.2 Ų | 58.2 | 64% | 0.643 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -17.1 | 172.9 | -177.2 | 0 | 0 | 0 | 0 | 112.8 | T88 Y89 K90 | T88-S92 PolarHBondContact O-N 2.78Å; Y89-S92 WeakPolarHBondContact O-CB 3.36Å; Y89-S92 PolarHBondContact O-N 2.86Å; K90-S92 VanDerWaalsContact C-N 3.32Å; K90-S92 PolarHBondContact O-N 3.45Å |
| 93 | K | 84.9 | Confident | 88 | Confident | 82 Ų | 82 | 58.8 Ų | 58.8 | 36% | 0.357 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -102.7 | 127.5 | 178.3 | -58.2 | -73.5 | -174.5 | 143.3 | 0 | 108.9 | K90 Q91 A95 L97 E101 | K90-K93 PolarHBondContact O-N 3.05Å; K90-K93 VanDerWaalsContact O-O 3.09Å; Q91-K93 PolarHBondContact O-N 3.15Å; K93-A95 PolarHBondContact O-N 3.41Å; K93-A95 VanDerWaalsContact O-N 3.14Å; K93-L97 HydrophobicContact CB-CD2 4.3Å; K93-L97 HydrophobicContact CG-CD2 3.79Å; K93-E101 VanDerWaalsContact CE-OE1 3.26Å; K93-E101 WeakPolarHBondContact CE-OE1 3.24Å; K93-E101 IonicContact NZ-OE1 2.7Å; K93-E101 PolarHBondContact NZ-OE1 3.36Å |
| 94 | N | 75.9 | Confident | 88.2 | Confident | 148 Ų | 148 | 64.5 Ų | 64.5 | 79% | 0.791 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -77.5 | 9.2 | 178.3 | -59.4 | -49.9 | 0 | 0 | 0 | 113.4 | ||
| 95 | A | 79.6 | Confident | 88.3 | Confident | 62 Ų | 62 | 64.8 Ų | 64.8 | 51% | 0.512 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -138.9 | 153.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | K93 L97 | K93-A95 PolarHBondContact O-N 3.41Å; K93-A95 VanDerWaalsContact O-N 3.14Å; A95-L97 PolarHBondContact O-N 2.93Å |
| 96 | P | 79 | Confident | 88.3 | Confident | 113 Ų | 113 | 61.6 Ų | 61.6 | 73% | 0.734 | 35% | 0.345 | S | S | * | . | P | Polyproline II helix | trans | -53.8 | 127.2 | 171.7 | -22.7 | 32.7 | 0 | 0 | 0 | 110.5 | ||
| 97 | L | 85.2 | Confident | 88.5 | Confident | 22 Ų | 22 | 64 Ų | 64 | 12% | 0.115 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 134.9 | 178.9 | -76.1 | 171.9 | 0 | 0 | 0 | 110.7 | Y89 K90 K93 A95 E101 S102 | Y89-L97 HydrophobicContact CD1-CD1 4.13Å; Y89-L97 HydrophobicContact CD1-CD2 4.33Å; Y89-L97 HydrophobicContact CE1-CD2 3.98Å; K90-L97 HydrophobicContact CB-CD1 4Å; K90-L97 HydrophobicContact CG-CD1 3.98Å; K90-L97 HydrophobicContact CG-CG 4.48Å; K93-L97 HydrophobicContact CB-CD2 4.3Å; K93-L97 HydrophobicContact CG-CD2 3.79Å; A95-L97 PolarHBondContact O-N 2.93Å; L97-E101 HydrophobicContact CD2-CB 4.31Å; L97-E101 HydrophobicContact CD2-CG 3.89Å; L97-S102 WeakPolarHBondContact CB-OG 3.49Å |
| 98 | P | 89.7 | Confident | 88.9 | Confident | 72 Ų | 72 | 65 Ų | 65 | 47% | 0.468 | 37% | 0.371 | S | S | . | . | P | Polyproline II helix | trans | -55 | 145.3 | 164.5 | -20.8 | 31.2 | 0 | 0 | 0 | 110.3 | S100 E101 S102 | P98-S100 PolarHBondContact O-N 2.73Å; P98-S100 VanDerWaalsContact O-N 3.15Å; P98-E101 HydrophobicContact CB-CB 4.5Å; P98-E101 WeakPolarHBondContact CD-OE2 3.32Å; P98-E101 PolarHBondContact O-N 2.84Å; P98-S102 PolarHBondContact O-N 3.49Å |
| 99 | F | 89.6 | Confident | 89.2 | Confident | 78 Ų | 78 | 61.5 Ų | 61.5 | 34% | 0.342 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -58.4 | -33.9 | -176.1 | 178.5 | -103.4 | 0 | 0 | 0 | 113.3 | S103 A180 F181 K184 | F99-S103 WeakPolarHBondContact CE1-OG 3.41Å; F99-S103 WeakPolarHBondContact CZ-OG 3.47Å; F99-S103 WeakPolarHBondContact O-CB 3.45Å; F99-S103 PolarHBondContact O-N 2.99Å; F99-S103 PolarHBondContact O-OG 3.05Å; F99-A180 HydrophobicContact CE2-CB 4.22Å; F99-F181 HydrophobicContact CE2-CD1 4.5Å; F99-F181 HydrophobicContact CE2-CD2 4.3Å; F99-F181 HydrophobicContact CE2-CE1 4.5Å; F99-F181 HydrophobicContact CE2-CE2 4.32Å; F99-F181 HydrophobicContact CE2-CG 4.41Å; F99-F181 HydrophobicContact CE2-CZ 4.42Å; F99-F181 HydrophobicContact CZ-CD2 4.16Å; F99-F181 HydrophobicContact CZ-CE1 4.09Å; F99-F181 AromaticContact CZ-CE2 3.73Å; F99-F181 HydrophobicContact CZ-CE2 3.73Å; F99-F181 AromaticContact CZ-CZ 3.69Å; F99-F181 HydrophobicContact CZ-CZ 3.69Å; F99-K184 HydrophobicContact CD2-CB 4.11Å; F99-K184 HydrophobicContact CD2-CD 4.44Å; F99-K184 HydrophobicContact CD2-CG 4.23Å; F99-K184 HydrophobicContact CE2-CB 4.33Å |
| 100 | S | 91.2 | Very high | 89.4 | Confident | 86 Ų | 86 | 57.4 Ų | 57.4 | 60% | 0.601 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -62.8 | -44.4 | 175.1 | 48.6 | 0 | 0 | 0 | 0 | 112.1 | P98 S103 L104 | P98-S100 PolarHBondContact O-N 2.73Å; P98-S100 VanDerWaalsContact O-N 3.15Å; S100-S103 PolarHBondContact O-N 3.3Å; S100-L104 PolarHBondContact O-N 3.36Å |
| 101 | E | 92.7 | Very high | 89.8 | Confident | 50 Ų | 50 | 59.1 Ų | 59.1 | 23% | 0.234 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -68.5 | -46.8 | 178.4 | -163.2 | 174.1 | 174.4 | 0 | 0 | 110.6 | Y89 K93 L97 P98 S103 L104 V105 | Y89-E101 HydrophobicContact CE1-CG 4.11Å; Y89-E101 WeakPolarHBondContact CE1-OE1 3.24Å; Y89-E101 PolarHBondContact OH-OE1 2.83Å; K93-E101 VanDerWaalsContact CE-OE1 3.26Å; K93-E101 WeakPolarHBondContact CE-OE1 3.24Å; K93-E101 IonicContact NZ-OE1 2.7Å; K93-E101 PolarHBondContact NZ-OE1 3.36Å; L97-E101 HydrophobicContact CD2-CB 4.31Å; L97-E101 HydrophobicContact CD2-CG 3.89Å; P98-E101 HydrophobicContact CB-CB 4.5Å; P98-E101 WeakPolarHBondContact CD-OE2 3.32Å; P98-E101 PolarHBondContact O-N 2.84Å; E101-S103 VanDerWaalsContact C-N 3.26Å; E101-S103 PolarHBondContact O-N 2.86Å; E101-L104 PolarHBondContact O-N 3.49Å; E101-V105 VanDerWaalsContact O-CG2 3.24Å; E101-V105 WeakPolarHBondContact O-CG2 3.47Å; E101-V105 PolarHBondContact O-N 2.69Å |
| 102 | S | 91.6 | Very high | 90.4 | Very high | 7 Ų | 7 | 57.9 Ų | 57.9 | 5% | 0.049 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -56 | -41.3 | 172.2 | -65.6 | 0 | 0 | 0 | 0 | 112 | Y86 L97 P98 V105 A106 | Y86-S102 WeakPolarHBondContact CE2-O 3.31Å; L97-S102 WeakPolarHBondContact CB-OG 3.49Å; P98-S102 PolarHBondContact O-N 3.49Å; S102-V105 PolarHBondContact O-N 3.15Å; S102-A106 WeakPolarHBondContact O-CB 3.39Å; S102-A106 PolarHBondContact O-N 2.82Å |
| 103 | S | 93.9 | Very high | 90.8 | Very high | 16 Ų | 16 | 53.5 Ų | 53.5 | 11% | 0.112 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.7 | -44.1 | 179.9 | -65.7 | 0 | 0 | 0 | 0 | 111.8 | F99 S100 E101 A106 L107 L176 | F99-S103 WeakPolarHBondContact CE1-OG 3.41Å; F99-S103 WeakPolarHBondContact CZ-OG 3.47Å; F99-S103 WeakPolarHBondContact O-CB 3.45Å; F99-S103 PolarHBondContact O-N 2.99Å; F99-S103 PolarHBondContact O-OG 3.05Å; S100-S103 PolarHBondContact O-N 3.3Å; E101-S103 VanDerWaalsContact C-N 3.26Å; E101-S103 PolarHBondContact O-N 2.86Å; S103-A106 PolarHBondContact O-N 3.34Å; S103-L107 WeakPolarHBondContact O-CB 3.15Å; S103-L107 WeakPolarHBondContact O-CG 3.15Å; S103-L107 PolarHBondContact O-N 3.35Å; S103-L176 VanDerWaalsContact CB-CD1 3.41Å; S103-L176 WeakPolarHBondContact OG-CD1 3.22Å |
| 104 | L | 95.4 | Very high | 91.2 | Very high | 121 Ų | 121 | 49.7 Ų | 49.7 | 63% | 0.634 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -63.9 | -45.7 | 178.3 | -173.7 | 68.2 | 0 | 0 | 0 | 111.4 | S100 E101 A106 L107 A108 | S100-L104 PolarHBondContact O-N 3.36Å; E101-L104 PolarHBondContact O-N 3.49Å; L104-A106 VanDerWaalsContact C-N 3.33Å; L104-A106 PolarHBondContact O-N 2.94Å; L104-L107 PolarHBondContact O-N 3.22Å; L104-A108 WeakPolarHBondContact O-CB 3.48Å; L104-A108 PolarHBondContact O-N 3.01Å |
| 105 | V | 94.9 | Very high | 92.1 | Very high | 15 Ų | 15 | 45 Ų | 45 | 9% | 0.091 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.5 | -38.8 | 177.8 | 178.9 | 0 | 0 | 0 | 0 | 110.6 | Y86 Y89 E101 S102 A108 S109 | Y86-V105 HydrophobicContact CD2-CB 4.28Å; Y86-V105 HydrophobicContact CD2-CG1 3.84Å; Y86-V105 HydrophobicContact CG-CG1 4.5Å; Y89-V105 HydrophobicContact CD1-CB 4.31Å; Y89-V105 HydrophobicContact CD1-CG1 4.03Å; Y89-V105 HydrophobicContact CD1-CG2 3.4Å; Y89-V105 HydrophobicContact CD2-CG2 4.46Å; Y89-V105 HydrophobicContact CE1-CG2 3.47Å; Y89-V105 VanDerWaalsContact CE1-CG2 3.47Å; Y89-V105 HydrophobicContact CG-CG1 4.01Å; Y89-V105 HydrophobicContact CG-CG2 3.92Å; E101-V105 VanDerWaalsContact O-CG2 3.24Å; E101-V105 WeakPolarHBondContact O-CG2 3.47Å; E101-V105 PolarHBondContact O-N 2.69Å; S102-V105 PolarHBondContact O-N 3.15Å; V105-A108 PolarHBondContact O-N 2.92Å; V105-S109 WeakPolarHBondContact O-CB 3.21Å; V105-S109 PolarHBondContact O-N 3.26Å; V105-S109 PolarHBondContact O-OG 3.28Å |
| 106 | A | 94.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.1 | -41.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y86 S102 S103 L104 S109 G110 T175 A180 | Y86-A106 HydrophobicContact CD2-CB 4.06Å; Y86-A106 HydrophobicContact CE2-CB 3.92Å; S102-A106 WeakPolarHBondContact O-CB 3.39Å; S102-A106 PolarHBondContact O-N 2.82Å; S103-A106 PolarHBondContact O-N 3.34Å; L104-A106 VanDerWaalsContact C-N 3.33Å; L104-A106 PolarHBondContact O-N 2.94Å; A106-S109 WeakPolarHBondContact CA-OG 3.31Å; A106-S109 PolarHBondContact O-OG 3.28Å; A106-S109 VanDerWaalsContact O-OG 3.05Å; A106-G110 PolarHBondContact O-N 2.86Å; A106-T175 HydrophobicContact CB-CG2 4.32Å; A106-T175 WeakPolarHBondContact O-CB 3.48Å; A106-T175 WeakPolarHBondContact O-CG2 3.36Å; A106-A180 HydrophobicContact CB-CB 4.04Å |
| 107 | L | 95.6 | Very high | 93.4 | Very high | 52 Ų | 52 | 40.4 Ų | 40.4 | 27% | 0.272 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63.1 | -49.8 | 174.7 | -76.3 | 168 | 0 | 0 | 0 | 111.4 | S103 L104 G110 F111 A172 F173 L176 | S103-L107 WeakPolarHBondContact O-CB 3.15Å; S103-L107 WeakPolarHBondContact O-CG 3.15Å; S103-L107 PolarHBondContact O-N 3.35Å; L104-L107 PolarHBondContact O-N 3.22Å; L107-G110 PolarHBondContact O-N 3.46Å; L107-F111 WeakPolarHBondContact O-CB 3.11Å; L107-F111 PolarHBondContact O-N 3.4Å; L107-A172 HydrophobicContact CD2-CB 3.99Å; L107-A172 WeakPolarHBondContact O-CB 3.11Å; L107-F173 HydrophobicContact CD2-CD1 4.26Å; L107-F173 HydrophobicContact CD2-CE1 4.44Å; L107-L176 HydrophobicContact CD1-CD2 4.38Å; L107-L176 HydrophobicContact CD2-CB 3.98Å; L107-L176 HydrophobicContact CD2-CD2 3.99Å; L107-L176 HydrophobicContact CG-CB 4.16Å; L107-L176 HydrophobicContact CG-CD2 4.18Å |
| 108 | A | 96.3 | Very high | 93.7 | Very high | 51 Ų | 51 | 39.6 Ų | 39.6 | 42% | 0.421 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63.2 | -48 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L104 V105 G110 F111 C112 | L104-A108 WeakPolarHBondContact O-CB 3.48Å; L104-A108 PolarHBondContact O-N 3.01Å; V105-A108 PolarHBondContact O-N 2.92Å; A108-G110 VanDerWaalsContact C-N 3.34Å; A108-G110 PolarHBondContact O-N 3.39Å; A108-F111 PolarHBondContact O-N 2.94Å; A108-C112 WeakPolarHBondContact O-CB 3.48Å; A108-C112 PolarHBondContact O-N 3.19Å; A108-C112 PolarHBondContact O-SG 3.03Å; A108-C112 VanDerWaalsContact O-SG 3.36Å |
| 109 | S | 95.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.4 | -40.3 | 177.9 | 61.1 | 0 | 0 | 0 | 0 | 112.4 | R82 V105 A106 G113 | R82-S109 WeakPolarHBondContact O-CB 3.46Å; V105-S109 WeakPolarHBondContact O-CB 3.21Å; V105-S109 PolarHBondContact O-N 3.26Å; V105-S109 PolarHBondContact O-OG 3.28Å; A106-S109 WeakPolarHBondContact CA-OG 3.31Å; A106-S109 PolarHBondContact O-OG 3.28Å; A106-S109 VanDerWaalsContact O-OG 3.05Å; S109-G113 PolarHBondContact O-N 2.77Å |
| 110 | G | 95.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.2 | -42.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A106 L107 A108 G113 G114 A171 T175 | A106-G110 PolarHBondContact O-N 2.86Å; L107-G110 PolarHBondContact O-N 3.46Å; A108-G110 VanDerWaalsContact C-N 3.34Å; A108-G110 PolarHBondContact O-N 3.39Å; G110-G113 PolarHBondContact O-N 3.33Å; G110-G114 PolarHBondContact O-N 3.33Å; G110-A171 WeakPolarHBondContact O-CB 3.48Å; G110-T175 VanDerWaalsContact CA-OG1 3.25Å; G110-T175 WeakPolarHBondContact CA-OG1 3.3Å |
| 111 | F | 95.2 | Very high | 93.6 | Very high | 93 Ų | 93 | 31.5 Ų | 31.5 | 41% | 0.408 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -62.1 | -52.8 | 176.1 | -171.2 | -90.5 | 0 | 0 | 0 | 111.3 | L107 A108 G113 G114 V115 A168 A172 | L107-F111 WeakPolarHBondContact O-CB 3.11Å; L107-F111 PolarHBondContact O-N 3.4Å; A108-F111 PolarHBondContact O-N 2.94Å; F111-G113 VanDerWaalsContact C-N 3.31Å; F111-G113 PolarHBondContact O-N 3.02Å; F111-G114 PolarHBondContact O-N 3.06Å; F111-V115 HydrophobicContact CD1-CG2 4.16Å; F111-V115 HydrophobicContact CE1-CG2 3.86Å; F111-V115 HydrophobicContact CZ-CG2 4.43Å; F111-V115 WeakPolarHBondContact O-CG2 3.25Å; F111-V115 PolarHBondContact O-N 2.84Å; F111-A168 HydrophobicContact CD1-CB 4.5Å; F111-A168 HydrophobicContact CD2-CB 3.67Å; F111-A168 HydrophobicContact CE1-CB 4.43Å; F111-A168 HydrophobicContact CE2-CB 3.59Å; F111-A168 HydrophobicContact CG-CB 4.15Å; F111-A168 HydrophobicContact CZ-CB 3.99Å; F111-A172 HydrophobicContact CB-CB 4.09Å |
| 112 | C | 95.9 | Very high | 93.2 | Very high | 56 Ų | 56 | 30.4 Ų | 30.4 | 38% | 0.378 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -57.6 | -45 | 176.7 | -69.4 | 0 | 0 | 0 | 0 | 111.5 | T81 I85 A108 G114 V115 V116 | T81-C112 HydrophobicContact CG2-CB 4.39Å; I85-C112 HydrophobicContact CD1-CB 3.71Å; A108-C112 WeakPolarHBondContact O-CB 3.48Å; A108-C112 PolarHBondContact O-N 3.19Å; A108-C112 PolarHBondContact O-SG 3.03Å; A108-C112 VanDerWaalsContact O-SG 3.36Å; C112-G114 VanDerWaalsContact C-N 3.29Å; C112-G114 PolarHBondContact O-N 3.34Å; C112-V115 PolarHBondContact O-N 3.31Å; C112-V116 WeakPolarHBondContact O-CG2 3.4Å; C112-V116 PolarHBondContact O-N 2.98Å |
| 113 | G | 94.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.4 | -40.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y78 S109 G110 F111 G117 | Y78-G113 VanDerWaalsContact CD2-C 3.47Å; Y78-G113 WeakPolarHBondContact CD2-O 3.47Å; S109-G113 PolarHBondContact O-N 2.77Å; G110-G113 PolarHBondContact O-N 3.33Å; F111-G113 VanDerWaalsContact C-N 3.31Å; F111-G113 PolarHBondContact O-N 3.02Å; G113-G117 WeakPolarHBondContact O-CA 3.49Å; G113-G117 PolarHBondContact O-N 3.34Å |
| 114 | G | 92.7 | Very high | 92.7 | Very high | 2 Ų | 2 | 29.7 Ų | 29.7 | 2% | 0.021 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.9 | -37.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | G110 F111 C112 N118 | G110-G114 PolarHBondContact O-N 3.33Å; F111-G114 PolarHBondContact O-N 3.06Å; C112-G114 VanDerWaalsContact C-N 3.29Å; C112-G114 PolarHBondContact O-N 3.34Å; G114-N118 WeakPolarHBondContact O-CB 3.37Å; G114-N118 PolarHBondContact O-N 2.97Å |
| 115 | V | 94.5 | Very high | 91.9 | Very high | 49 Ų | 49 | 27 Ų | 27 | 30% | 0.297 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -64.8 | -51.9 | 174 | 176.2 | 0 | 0 | 0 | 0 | 110.8 | F111 C112 G117 N118 V164 A168 | F111-V115 HydrophobicContact CD1-CG2 4.16Å; F111-V115 HydrophobicContact CE1-CG2 3.86Å; F111-V115 HydrophobicContact CZ-CG2 4.43Å; F111-V115 WeakPolarHBondContact O-CG2 3.25Å; F111-V115 PolarHBondContact O-N 2.84Å; C112-V115 PolarHBondContact O-N 3.31Å; V115-G117 VanDerWaalsContact C-N 3.28Å; V115-G117 PolarHBondContact O-N 3.25Å; V115-N118 PolarHBondContact O-N 3.19Å; V115-V164 HydrophobicContact CB-CG2 4.27Å; V115-V164 HydrophobicContact CG1-CG2 4.31Å; V115-V164 HydrophobicContact CG2-CG2 4.03Å; V115-A168 HydrophobicContact CG2-CB 3.84Å |
| 116 | V | 94.3 | Very high | 91.4 | Very high | 76 Ų | 76 | 27.6 Ų | 27.6 | 46% | 0.461 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -64.5 | -34.7 | 179.7 | 175 | 0 | 0 | 0 | 0 | 111.5 | T81 C112 P119 | T81-V116 HydrophobicContact CG2-CB 4.49Å; T81-V116 HydrophobicContact CG2-CG2 4.29Å; C112-V116 WeakPolarHBondContact O-CG2 3.4Å; C112-V116 PolarHBondContact O-N 2.98Å; V116-P119 WeakPolarHBondContact O-CD 3.47Å |
| 117 | G | 92.5 | Very high | 90.9 | Very high | 3 Ų | 3 | 28.6 Ų | 28.6 | 3% | 0.031 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -81.5 | -14 | -179 | 0 | 0 | 0 | 0 | 0 | 115.3 | G113 V115 A120 D121 | G113-G117 WeakPolarHBondContact O-CA 3.49Å; G113-G117 PolarHBondContact O-N 3.34Å; V115-G117 VanDerWaalsContact C-N 3.28Å; V115-G117 PolarHBondContact O-N 3.25Å; G117-A120 PolarHBondContact O-N 3.45Å; G117-D121 PolarHBondContact O-N 3.3Å |
| 118 | N | 90.6 | Very high | 89.9 | Confident | 4 Ų | 4 | 26.3 Ų | 26.3 | 2% | 0.021 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.2 | -42 | -173.5 | -158.8 | 76.3 | 0 | 0 | 0 | 114 | G114 V115 A120 D121 M122 L160 F161 N162 V164 T167 | G114-N118 WeakPolarHBondContact O-CB 3.37Å; G114-N118 PolarHBondContact O-N 2.97Å; V115-N118 PolarHBondContact O-N 3.19Å; N118-A120 VanDerWaalsContact C-N 3.33Å; N118-A120 PolarHBondContact O-N 3.39Å; N118-D121 PolarHBondContact O-N 3.21Å; N118-M122 WeakPolarHBondContact O-CB 3.34Å; N118-M122 PolarHBondContact O-N 2.82Å; N118-L160 PolarHBondContact ND2-O 2.94Å; N118-F161 WeakPolarHBondContact ND2-CA 3.17Å; N118-N162 PolarHBondContact ND2-O 2.9Å; N118-V164 HydrophobicContact CB-CB 4.4Å; N118-V164 HydrophobicContact CB-CG2 4.04Å; N118-T167 WeakPolarHBondContact OD1-CB 3.38Å; N118-T167 PolarHBondContact OD1-OG1 2.85Å |
| 119 | P | 91.7 | Very high | 88.9 | Confident | 22 Ų | 22 | 25.2 Ų | 25.2 | 14% | 0.143 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -57.7 | -45 | 176.1 | -26.8 | 36.4 | 0 | 0 | 0 | 112.7 | V116 M122 I123 L148 L160 F161 | V116-P119 WeakPolarHBondContact O-CD 3.47Å; P119-M122 PolarHBondContact O-N 2.98Å; P119-I123 WeakPolarHBondContact O-CG1 3.3Å; P119-I123 PolarHBondContact O-N 3.19Å; P119-L148 HydrophobicContact CB-CD2 3.84Å; P119-L160 HydrophobicContact CB-CB 4.07Å; P119-L160 HydrophobicContact CB-CD1 4.22Å; P119-L160 HydrophobicContact CB-CD2 4.17Å; P119-L160 HydrophobicContact CB-CG 4.41Å; P119-L160 HydrophobicContact CG-CB 4.14Å; P119-F161 HydrophobicContact CG-CE1 4.3Å; P119-F161 HydrophobicContact CG-CZ 4.16Å |
| 120 | A | 91.7 | Very high | 88.1 | Confident | 2 Ų | 2 | 25.9 Ų | 25.9 | 2% | 0.017 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -69.7 | -38.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112 | L73 R74 G117 N118 I123 N124 | L73-A120 HydrophobicContact CB-CB 4.42Å; L73-A120 HydrophobicContact CD2-CB 4.1Å; L73-A120 HydrophobicContact CG-CB 3.84Å; R74-A120 HydrophobicContact CB-CB 4.04Å; G117-A120 PolarHBondContact O-N 3.45Å; N118-A120 VanDerWaalsContact C-N 3.33Å; N118-A120 PolarHBondContact O-N 3.39Å; A120-I123 PolarHBondContact O-N 2.82Å; A120-N124 VanDerWaalsContact O-CB 3.27Å; A120-N124 WeakPolarHBondContact O-CB 3.31Å; A120-N124 PolarHBondContact O-N 2.79Å |
| 121 | D | 85.8 | Confident | 86.8 | Confident | 42 Ų | 42 | 27.3 Ų | 27.3 | 23% | 0.225 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.6 | -44.1 | 175.1 | -167.2 | 55.1 | 0 | 0 | 0 | 111.7 | R74 G117 N118 I123 N124 V125 | R74-D121 WeakPolarHBondContact CD-OD1 3.46Å; R74-D121 HydrophobicContact CG-CB 4.32Å; G117-D121 PolarHBondContact O-N 3.3Å; N118-D121 PolarHBondContact O-N 3.21Å; D121-I123 PolarHBondContact O-N 2.96Å; D121-N124 WeakPolarHBondContact O-CB 2.91Å; D121-N124 PolarHBondContact O-N 3.33Å; D121-V125 WeakPolarHBondContact O-CG2 3.33Å; D121-V125 PolarHBondContact O-N 3.28Å |
| 122 | M | 85.4 | Confident | 85.4 | Confident | 27 Ų | 27 | 26.4 Ų | 26.4 | 13% | 0.133 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.8 | -46.5 | 178.4 | -164.4 | -155.4 | 72 | 0 | 0 | 111.6 | N118 P119 N124 V125 R126 V151 L160 | N118-M122 WeakPolarHBondContact O-CB 3.34Å; N118-M122 PolarHBondContact O-N 2.82Å; P119-M122 PolarHBondContact O-N 2.98Å; M122-N124 VanDerWaalsContact C-N 3.33Å; M122-V125 PolarHBondContact O-N 3.24Å; M122-R126 WeakPolarHBondContact O-CG 3.22Å; M122-R126 PolarHBondContact O-N 3.21Å; M122-R126 VanDerWaalsContact O-N 3.07Å; M122-V151 HydrophobicContact CE-CB 4.28Å; M122-V151 HydrophobicContact CE-CG1 3.76Å; M122-V151 HydrophobicContact CE-CG2 3.77Å; M122-L160 HydrophobicContact CE-CD2 3.78Å |
| 123 | I | 88.6 | Confident | 84.2 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.5 | -40.2 | 176.9 | -65.3 | -57.4 | 0 | 0 | 0 | 111.1 | A70 P119 A120 D121 V125 R126 M127 Y141 C144 G147 L148 V151 | A70-I123 HydrophobicContact CB-CG2 4.2Å; P119-I123 WeakPolarHBondContact O-CG1 3.3Å; P119-I123 PolarHBondContact O-N 3.19Å; A120-I123 PolarHBondContact O-N 2.82Å; D121-I123 PolarHBondContact O-N 2.96Å; I123-V125 PolarHBondContact O-N 3.35Å; I123-R126 PolarHBondContact O-N 3.35Å; I123-M127 HydrophobicContact CG2-CG 4.11Å; I123-M127 HydrophobicContact CG2-SD 3.86Å; I123-M127 WeakPolarHBondContact O-CB 3.26Å; I123-M127 WeakPolarHBondContact O-CG 3.06Å; I123-M127 PolarHBondContact O-N 3.1Å; I123-Y141 HydrophobicContact CD1-CE2 4.4Å; I123-C144 HydrophobicContact CG2-CB 4.36Å; I123-G147 VanDerWaalsContact CD1-C 3.43Å; I123-G147 WeakPolarHBondContact CD1-O 3.45Å; I123-L148 HydrophobicContact CG1-CD2 3.81Å; I123-L148 HydrophobicContact CG1-CG 3.95Å; I123-V151 HydrophobicContact CD1-CB 4.38Å; I123-V151 HydrophobicContact CD1-CG2 3.62Å |
| 124 | N | 85.1 | Confident | 83.1 | Confident | 9 Ų | 9 | 29 Ų | 29 | 5% | 0.048 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.5 | -48.2 | 177.6 | -170.4 | 34.9 | 0 | 0 | 0 | 111.8 | A70 S71 A120 D121 M122 R126 M127 Q128 | A70-N124 HydrophobicContact CB-CB 3.78Å; S71-N124 PolarHBondContact N-OD1 3.47Å; S71-N124 PolarHBondContact OG-ND2 3.12Å; S71-N124 PolarHBondContact OG-OD1 2.8Å; A120-N124 VanDerWaalsContact O-CB 3.27Å; A120-N124 WeakPolarHBondContact O-CB 3.31Å; A120-N124 PolarHBondContact O-N 2.79Å; D121-N124 WeakPolarHBondContact O-CB 2.91Å; D121-N124 PolarHBondContact O-N 3.33Å; M122-N124 VanDerWaalsContact C-N 3.33Å; N124-R126 VanDerWaalsContact C-N 3.29Å; N124-R126 PolarHBondContact O-N 3.13Å; N124-M127 PolarHBondContact O-N 3.03Å; N124-Q128 VanDerWaalsContact CG-NE2 3.27Å; N124-Q128 PolarHBondContact ND2-NE2 3.23Å; N124-Q128 VanDerWaalsContact ND2-NE2 3.16Å; N124-Q128 WeakPolarHBondContact O-CB 3.35Å; N124-Q128 VanDerWaalsContact O-CG 3.29Å; N124-Q128 WeakPolarHBondContact O-CG 3.39Å; N124-Q128 PolarHBondContact O-N 3.48Å; N124-Q128 PolarHBondContact OD1-NE2 2.7Å |
| 125 | V | 79.6 | Confident | 82.1 | Confident | 64 Ų | 64 | 35.3 Ų | 35.3 | 39% | 0.388 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -61.8 | -38.2 | 176.7 | 173.8 | 0 | 0 | 0 | 0 | 111.5 | D121 M122 I123 N129 | D121-V125 WeakPolarHBondContact O-CG2 3.33Å; D121-V125 PolarHBondContact O-N 3.28Å; M122-V125 PolarHBondContact O-N 3.24Å; I123-V125 PolarHBondContact O-N 3.35Å; V125-N129 WeakPolarHBondContact CG1-ND2 3.29Å; V125-N129 WeakPolarHBondContact O-CB 3.4Å; V125-N129 PolarHBondContact O-N 2.98Å; V125-N129 VanDerWaalsContact O-N 3.14Å; V125-N129 PolarHBondContact O-ND2 3.37Å |
| 126 | R | 83.9 | Confident | 81.3 | Confident | 28 Ų | 28 | 39.4 Ų | 39.4 | 11% | 0.106 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -67.9 | -46.6 | 177.4 | -72.1 | -179.7 | -178.2 | -150.2 | 3.4 | 112.3 | M122 I123 N124 N129 D130 Y141 E155 | M122-R126 WeakPolarHBondContact O-CG 3.22Å; M122-R126 PolarHBondContact O-N 3.21Å; M122-R126 VanDerWaalsContact O-N 3.07Å; I123-R126 PolarHBondContact O-N 3.35Å; N124-R126 VanDerWaalsContact C-N 3.29Å; N124-R126 PolarHBondContact O-N 3.13Å; R126-N129 PolarHBondContact O-N 3.11Å; R126-D130 WeakPolarHBondContact O-CB 3.11Å; R126-D130 PolarHBondContact O-N 3.4Å; R126-Y141 HydrophobicContact CB-CE2 3.91Å; R126-Y141 PolarHBondContact NH1-OH 2.91Å; R126-E155 IonicContact CZ-OE1 3.07Å; R126-E155 IonicContact CZ-OE2 2.6Å; R126-E155 VanDerWaalsContact NH1-CD 3.31Å; R126-E155 IonicContact NH1-OE1 3.53Å; R126-E155 PolarHBondContact NH1-OE1 2.91Å; R126-E155 IonicContact NH1-OE2 3.17Å; R126-E155 PolarHBondContact NH1-OE2 3.02Å; R126-E155 IonicContact NH2-OE1 2.9Å; R126-E155 IonicContact NH2-OE2 3.88Å; R126-E155 PolarHBondContact NH2-OE2 3.28Å |
| 127 | M | 83.7 | Confident | 80.5 | Confident | 20 Ų | 20 | 41.5 Ų | 41.5 | 10% | 0.099 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.6 | -42.5 | 179.2 | -72 | -174.3 | 76.6 | 0 | 0 | 111.7 | A70 I123 N124 N129 D130 Y141 C144 | A70-M127 HydrophobicContact CB-SD 3.73Å; I123-M127 HydrophobicContact CG2-CG 4.11Å; I123-M127 HydrophobicContact CG2-SD 3.86Å; I123-M127 WeakPolarHBondContact O-CB 3.26Å; I123-M127 WeakPolarHBondContact O-CG 3.06Å; I123-M127 PolarHBondContact O-N 3.1Å; N124-M127 PolarHBondContact O-N 3.03Å; M127-N129 VanDerWaalsContact C-N 3.33Å; M127-N129 PolarHBondContact O-N 3.45Å; M127-D130 WeakPolarHBondContact O-CB 3.26Å; M127-D130 PolarHBondContact O-N 2.84Å; M127-Y141 HydrophobicContact CG-CD2 3.75Å; M127-Y141 HydrophobicContact CG-CG 4.47Å; M127-C144 HydrophobicContact SD-CB 4.46Å |
| 128 | Q | 75.2 | Confident | 79.9 | Confident | 5 Ų | 5 | 45.1 Ų | 45.1 | 2% | 0.023 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -69.9 | -29.4 | 179.2 | -68.6 | -175.5 | 26.4 | 0 | 0 | 113.2 | V36 H37 S71 N124 | V36-Q128 HydrophobicContact CB-CB 4.47Å; V36-Q128 HydrophobicContact CG1-CB 4Å; H37-Q128 PolarHBondContact CE1-O 2.91Å; S71-Q128 PolarHBondContact OG-NE2 3.19Å; N124-Q128 VanDerWaalsContact CG-NE2 3.27Å; N124-Q128 PolarHBondContact ND2-NE2 3.23Å; N124-Q128 VanDerWaalsContact ND2-NE2 3.16Å; N124-Q128 WeakPolarHBondContact O-CB 3.35Å; N124-Q128 VanDerWaalsContact O-CG 3.29Å; N124-Q128 WeakPolarHBondContact O-CG 3.39Å; N124-Q128 PolarHBondContact O-N 3.48Å; N124-Q128 PolarHBondContact OD1-NE2 2.7Å |
| 129 | N | 74.8 | Confident | 79.4 | Confident | 27 Ų | 27 | 49.5 Ų | 49.5 | 14% | 0.144 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -84.5 | -14.4 | 175.3 | -76.5 | -50.4 | 0 | 0 | 0 | 113.4 | V36 T40 V125 R126 M127 M131 K132 | V36-N129 WeakPolarHBondContact CG1-OD1 3.29Å; T40-N129 WeakPolarHBondContact CB-OD1 3.34Å; T40-N129 VanDerWaalsContact CG2-OD1 3.28Å; T40-N129 WeakPolarHBondContact CG2-OD1 3.27Å; T40-N129 PolarHBondContact OG1-OD1 2.85Å; V125-N129 WeakPolarHBondContact CG1-ND2 3.29Å; V125-N129 WeakPolarHBondContact O-CB 3.4Å; V125-N129 PolarHBondContact O-N 2.98Å; V125-N129 VanDerWaalsContact O-N 3.14Å; V125-N129 PolarHBondContact O-ND2 3.37Å; R126-N129 PolarHBondContact O-N 3.11Å; M127-N129 VanDerWaalsContact C-N 3.33Å; M127-N129 PolarHBondContact O-N 3.45Å; N129-M131 VanDerWaalsContact C-N 3.31Å; N129-M131 PolarHBondContact O-N 2.85Å; N129-K132 WeakPolarHBondContact O-CB 3.46Å; N129-K132 PolarHBondContact O-N 3.48Å |
| 130 | D | 78.3 | Confident | 78.9 | Confident | 14 Ų | 14 | 53 Ų | 53 | 8% | 0.075 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.3 | -35.8 | -171 | -145.6 | 47.1 | 0 | 0 | 0 | 112.6 | R126 M127 K132 L133 R138 R139 N140 | R126-D130 WeakPolarHBondContact O-CB 3.11Å; R126-D130 PolarHBondContact O-N 3.4Å; M127-D130 WeakPolarHBondContact O-CB 3.26Å; M127-D130 PolarHBondContact O-N 2.84Å; D130-K132 PolarHBondContact O-N 2.9Å; D130-K132 VanDerWaalsContact O-N 3.09Å; D130-L133 PolarHBondContact O-N 3.22Å; D130-L133 VanDerWaalsContact O-N 3.09Å; D130-R138 WeakPolarHBondContact O-CG 3.27Å; D130-R139 VanDerWaalsContact CG-N 3.31Å; D130-R139 VanDerWaalsContact OD1-CB 3.31Å; D130-R139 WeakPolarHBondContact OD1-CB 3.38Å; D130-R139 WeakPolarHBondContact OD1-CG 3.43Å; D130-R139 PolarHBondContact OD1-N 3.18Å; D130-R139 PolarHBondContact OD2-N 2.94Å; D130-R139 VanDerWaalsContact OD2-N 3.07Å; D130-N140 PolarHBondContact OD2-N 3.22Å |
| 131 | M | 68.2 | Low | 78.4 | Confident | 31 Ų | 31 | 54 Ų | 54 | 15% | 0.153 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -26.3 | 175.6 | -95.6 | 115.2 | 75.3 | 0 | 0 | 114.1 | L33 A63 N66 N129 L133 R138 | L33-M131 HydrophobicContact CD1-CE 4.21Å; A63-M131 HydrophobicContact CB-CE 4.32Å; N66-M131 HydrophobicContact CB-CE 3.82Å; N66-M131 HydrophobicContact CB-SD 3.57Å; N66-M131 VanDerWaalsContact CB-SD 3.57Å; N66-M131 WeakPolarHBondContact ND2-CE 3.26Å; N66-M131 PolarHBondContact ND2-SD 3.04Å; N129-M131 VanDerWaalsContact C-N 3.31Å; N129-M131 PolarHBondContact O-N 2.85Å; M131-L133 VanDerWaalsContact C-N 3.35Å; M131-R138 PolarHBondContact O-NH2 2.91Å |
| 132 | K | 66.8 | Low | 78.3 | Confident | 73 Ų | 73 | 60 Ų | 60 | 32% | 0.317 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -21.8 | -178 | -61.5 | -179.7 | 156.1 | -156.5 | 0 | 113.3 | H37 T40 N129 D130 | H37-K132 VanDerWaalsContact CA-CE 3.47Å; H37-K132 VanDerWaalsContact CA-NZ 3.33Å; H37-K132 WeakPolarHBondContact CD2-CE 3.49Å; H37-K132 PolarHBondContact O-NZ 2.95Å; T40-K132 WeakPolarHBondContact OG1-CD 3.22Å; T40-K132 WeakPolarHBondContact OG1-CE 3.41Å; T40-K132 PolarHBondContact OG1-NZ 3.16Å; N129-K132 WeakPolarHBondContact O-CB 3.46Å; N129-K132 PolarHBondContact O-N 3.48Å; D130-K132 PolarHBondContact O-N 2.9Å; D130-K132 VanDerWaalsContact O-N 3.09Å |
| 133 | L | 70.4 | Confident | 78.3 | Confident | 44 Ų | 44 | 63.2 Ų | 63.2 | 23% | 0.23 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -71.2 | 141.2 | 178.4 | -68.2 | 168.5 | 0 | 0 | 0 | 108.4 | D130 M131 E137 R138 | D130-L133 PolarHBondContact O-N 3.22Å; D130-L133 VanDerWaalsContact O-N 3.09Å; M131-L133 VanDerWaalsContact C-N 3.35Å; L133-E137 HydrophobicContact CB-CB 4.11Å; L133-E137 WeakPolarHBondContact CD1-O 3.43Å; L133-E137 HydrophobicContact CD2-CB 4.39Å; L133-R138 HydrophobicContact CB-CG 4.04Å; L133-R138 WeakPolarHBondContact O-CG 3.49Å; L133-R138 PolarHBondContact O-NE 2.95Å |
| 134 | P | 70.5 | Confident | 78.4 | Confident | 67 Ų | 67 | 63.8 Ų | 63.8 | 44% | 0.435 | 31% | 0.313 | S | S | . | . | trans | -56.8 | 149.6 | 170.8 | 27.6 | -33.6 | 0 | 0 | 0 | 108.7 | N136 E137 R138 | P134-N136 VanDerWaalsContact CB-OD1 3.23Å; P134-N136 WeakPolarHBondContact CB-OD1 3.38Å; P134-N136 WeakPolarHBondContact CG-OD1 3.31Å; P134-N136 PolarHBondContact O-N 2.95Å; P134-N136 PolarHBondContact O-OD1 3.35Å; P134-E137 HydrophobicContact CG-CB 4.11Å; P134-E137 HydrophobicContact CG-CG 4.02Å; P134-E137 PolarHBondContact O-N 2.71Å; P134-R138 WeakPolarHBondContact O-CG 3.22Å; P134-R138 PolarHBondContact O-N 3.14Å | ||
| 135 | I | 73.4 | Confident | 78.7 | Confident | 135 Ų | 135 | 68.4 Ų | 68.4 | 69% | 0.692 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | -32.9 | -165.1 | -67.1 | 165.9 | 0 | 0 | 0 | 112.7 | ||
| 136 | N | 76.7 | Confident | 79.2 | Confident | 135 Ų | 135 | 67.1 Ų | 67.1 | 72% | 0.722 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -21.9 | 177.5 | 58.1 | -27.1 | 0 | 0 | 0 | 115.2 | P134 | P134-N136 VanDerWaalsContact CB-OD1 3.23Å; P134-N136 WeakPolarHBondContact CB-OD1 3.38Å; P134-N136 WeakPolarHBondContact CG-OD1 3.31Å; P134-N136 PolarHBondContact O-N 2.95Å; P134-N136 PolarHBondContact O-OD1 3.35Å |
| 137 | E | 77.9 | Confident | 79.5 | Confident | 119 Ų | 119 | 65.8 Ų | 65.8 | 56% | 0.556 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.1 | -3.9 | -180 | -67.4 | -177.2 | -177.6 | 0 | 0 | 113.2 | L133 P134 R139 | L133-E137 HydrophobicContact CB-CB 4.11Å; L133-E137 WeakPolarHBondContact CD1-O 3.43Å; L133-E137 HydrophobicContact CD2-CB 4.39Å; P134-E137 HydrophobicContact CG-CB 4.11Å; P134-E137 HydrophobicContact CG-CG 4.02Å; P134-E137 PolarHBondContact O-N 2.71Å; E137-R139 PolarHBondContact O-N 3.44Å |
| 138 | R | 79.1 | Confident | 79.8 | Confident | 80 Ų | 80 | 66.8 Ų | 66.8 | 30% | 0.302 | 33% | 0.328 | S | S | . | . | trans | -65 | 130.3 | 178.6 | -64 | -171.7 | 176.5 | 178.6 | -6.3 | 110.5 | D130 M131 L133 P134 N140 | D130-R138 WeakPolarHBondContact O-CG 3.27Å; M131-R138 PolarHBondContact O-NH2 2.91Å; L133-R138 HydrophobicContact CB-CG 4.04Å; L133-R138 WeakPolarHBondContact O-CG 3.49Å; L133-R138 PolarHBondContact O-NE 2.95Å; P134-R138 WeakPolarHBondContact O-CG 3.22Å; P134-R138 PolarHBondContact O-N 3.14Å; R138-N140 VanDerWaalsContact C-N 3.26Å; R138-N140 WeakPolarHBondContact CB-ND2 3.28Å; R138-N140 PolarHBondContact O-N 3.23Å; R138-N140 PolarHBondContact O-ND2 2.85Å | ||
| 139 | R | 79.4 | Confident | 80.7 | Confident | 95 Ų | 95 | 70.8 Ų | 70.8 | 36% | 0.358 | 35% | 0.348 | S | S | . | . | trans | -70 | -27.8 | 177.7 | -60.2 | 173.5 | 178 | 112.2 | 1.8 | 111.7 | D130 E137 Y141 | D130-R139 VanDerWaalsContact CG-N 3.31Å; D130-R139 VanDerWaalsContact OD1-CB 3.31Å; D130-R139 WeakPolarHBondContact OD1-CB 3.38Å; D130-R139 WeakPolarHBondContact OD1-CG 3.43Å; D130-R139 PolarHBondContact OD1-N 3.18Å; D130-R139 PolarHBondContact OD2-N 2.94Å; D130-R139 VanDerWaalsContact OD2-N 3.07Å; E137-R139 PolarHBondContact O-N 3.44Å; R139-Y141 VanDerWaalsContact C-N 3.3Å; R139-Y141 HydrophobicContact CB-CD1 4.29Å; R139-Y141 HydrophobicContact CB-CD2 4.4Å; R139-Y141 HydrophobicContact CB-CE1 4.01Å; R139-Y141 HydrophobicContact CB-CE2 4.14Å; R139-Y141 HydrophobicContact CB-CG 4.48Å; R139-Y141 PolarHBondContact O-N 3.39Å | ||
| 140 | N | 82.1 | Confident | 81.5 | Confident | 95 Ų | 95 | 73.3 Ų | 73.3 | 51% | 0.508 | 36% | 0.356 | S | S | . | . | trans | 47.5 | 51.7 | 177.7 | -67 | -49.8 | 0 | 0 | 0 | 112.1 | D130 R138 K142 | D130-N140 PolarHBondContact OD2-N 3.22Å; R138-N140 VanDerWaalsContact C-N 3.26Å; R138-N140 WeakPolarHBondContact CB-ND2 3.28Å; R138-N140 PolarHBondContact O-N 3.23Å; R138-N140 PolarHBondContact O-ND2 2.85Å; N140-K142 PolarHBondContact O-N 3.35Å | ||
| 141 | Y | 81.7 | Confident | 82 | Confident | 25 Ų | 25 | 72.7 Ų | 72.7 | 10% | 0.098 | 35% | 0.352 | C | S | . | . | trans | -64.7 | 125.3 | 169.4 | -60.2 | -38.6 | 0 | 0 | 0 | 108.6 | I123 R126 M127 R139 R150 | I123-Y141 HydrophobicContact CD1-CE2 4.4Å; R126-Y141 HydrophobicContact CB-CE2 3.91Å; R126-Y141 PolarHBondContact NH1-OH 2.91Å; M127-Y141 HydrophobicContact CG-CD2 3.75Å; M127-Y141 HydrophobicContact CG-CG 4.47Å; R139-Y141 VanDerWaalsContact C-N 3.3Å; R139-Y141 HydrophobicContact CB-CD1 4.29Å; R139-Y141 HydrophobicContact CB-CD2 4.4Å; R139-Y141 HydrophobicContact CB-CE1 4.01Å; R139-Y141 HydrophobicContact CB-CE2 4.14Å; R139-Y141 HydrophobicContact CB-CG 4.48Å; R139-Y141 PolarHBondContact O-N 3.39Å; Y141-R150 HydrophobicContact CE1-CB 4.18Å | ||
| 142 | K | 82.6 | Confident | 83.1 | Confident | 168 Ų | 168 | 74.7 Ų | 74.7 | 73% | 0.73 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -62.2 | -52.1 | 177.1 | -70.3 | -175.9 | 176.2 | -176.7 | 0 | 110 | N140 D146 | N140-K142 PolarHBondContact O-N 3.35Å; K142-D146 HydrophobicContact CB-CB 4.29Å; K142-D146 PolarHBondContact N-OD2 3.39Å |
| 143 | N | 87 | Confident | 84.4 | Confident | 94 Ų | 94 | 80.5 Ų | 80.5 | 50% | 0.503 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -140.8 | 169.2 | -174.5 | -48.9 | -10 | 0 | 0 | 0 | 109.4 | I145 D146 G147 | N143-I145 VanDerWaalsContact C-N 3.25Å; N143-I145 PolarHBondContact O-N 3Å; N143-D146 PolarHBondContact O-N 2.88Å; N143-G147 PolarHBondContact O-N 3.38Å |
| 144 | C | 89 | Confident | 85.4 | Confident | 11 Ų | 11 | 85.2 Ų | 85.2 | 7% | 0.074 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -56.8 | -36.3 | 174 | 59.9 | 0 | 0 | 0 | 0 | 113.9 | S69 A70 L73 I123 M127 G147 L148 | S69-C144 PolarHBondContact O-SG 3.36Å; S69-C144 PolarHBondContact OG-N 3.49Å; A70-C144 HydrophobicContact CB-CB 3.83Å; L73-C144 HydrophobicContact CB-CB 4.42Å; L73-C144 HydrophobicContact CD2-CB 3.94Å; I123-C144 HydrophobicContact CG2-CB 4.36Å; M127-C144 HydrophobicContact SD-CB 4.46Å; C144-G147 PolarHBondContact O-N 2.99Å; C144-L148 PolarHBondContact O-N 3.05Å |
| 145 | I | 91.6 | Very high | 86.2 | Confident | 106 Ų | 106 | 86.1 Ų | 86.1 | 54% | 0.544 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -67.4 | -45 | 177.7 | -58.3 | 176.2 | 0 | 0 | 0 | 110.9 | N143 G147 L148 I149 | N143-I145 VanDerWaalsContact C-N 3.25Å; N143-I145 PolarHBondContact O-N 3Å; I145-G147 VanDerWaalsContact C-N 3.29Å; I145-G147 PolarHBondContact O-N 3.09Å; I145-L148 PolarHBondContact O-N 3.29Å; I145-I149 HydrophobicContact CG2-CD1 3.8Å; I145-I149 HydrophobicContact CG2-CG1 4.39Å; I145-I149 WeakPolarHBondContact O-CG1 3.43Å; I145-I149 PolarHBondContact O-N 2.87Å |
| 146 | D | 91.3 | Very high | 86.8 | Confident | 37 Ų | 37 | 81.1 Ų | 81.1 | 20% | 0.198 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -61 | -41.9 | 175.2 | 179.1 | 45 | 0 | 0 | 0 | 110.6 | K142 N143 I149 R150 | K142-D146 HydrophobicContact CB-CB 4.29Å; K142-D146 PolarHBondContact N-OD2 3.39Å; N143-D146 PolarHBondContact O-N 2.88Å; D146-I149 PolarHBondContact O-N 3.15Å; D146-R150 WeakPolarHBondContact O-CB 3.33Å; D146-R150 VanDerWaalsContact O-CG 3.31Å; D146-R150 WeakPolarHBondContact O-CG 3.33Å; D146-R150 PolarHBondContact O-N 3.25Å; D146-R150 IonicContact OD1-CZ 3.7Å; D146-R150 IonicContact OD1-NE 3.77Å; D146-R150 PolarHBondContact OD1-NE 3.18Å; D146-R150 IonicContact OD1-NH2 2.74Å; D146-R150 PolarHBondContact OD1-NH2 2.76Å; D146-R150 IonicContact OD2-CZ 3.73Å; D146-R150 VanDerWaalsContact OD2-CZ 3.27Å; D146-R150 IonicContact OD2-NE 3Å; D146-R150 PolarHBondContact OD2-NE 3.48Å; D146-R150 IonicContact OD2-NH2 2.65Å; D146-R150 PolarHBondContact OD2-NH2 3.34Å |
| 147 | G | 89.3 | Confident | 87.4 | Confident | 0 Ų | 0 | 76.1 Ų | 76.1 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -57.6 | -49.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | I123 N143 C144 I145 R150 V151 | I123-G147 VanDerWaalsContact CD1-C 3.43Å; I123-G147 WeakPolarHBondContact CD1-O 3.45Å; N143-G147 PolarHBondContact O-N 3.38Å; C144-G147 PolarHBondContact O-N 2.99Å; I145-G147 VanDerWaalsContact C-N 3.29Å; I145-G147 PolarHBondContact O-N 3.09Å; G147-R150 PolarHBondContact O-N 3.32Å; G147-V151 VanDerWaalsContact O-CG2 3.31Å; G147-V151 WeakPolarHBondContact O-CG2 3.31Å; G147-V151 PolarHBondContact O-N 3.38Å |
| 148 | L | 91.2 | Very high | 87.9 | Confident | 42 Ų | 42 | 77.4 Ų | 77.4 | 22% | 0.22 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -59 | -50.6 | 177.2 | -81.1 | 172.2 | 0 | 0 | 0 | 111.8 | L73 P119 I123 C144 I145 R150 V151 V152 L160 | L73-L148 HydrophobicContact CD2-CD1 3.62Å; P119-L148 HydrophobicContact CB-CD2 3.84Å; I123-L148 HydrophobicContact CG1-CD2 3.81Å; I123-L148 HydrophobicContact CG1-CG 3.95Å; C144-L148 PolarHBondContact O-N 3.05Å; I145-L148 PolarHBondContact O-N 3.29Å; L148-R150 PolarHBondContact O-N 3.04Å; L148-V151 PolarHBondContact O-N 3.19Å; L148-V152 WeakPolarHBondContact O-CG2 3.43Å; L148-V152 PolarHBondContact O-N 3.05Å; L148-L160 HydrophobicContact CD2-CD1 4.23Å; L148-L160 HydrophobicContact CD2-CD2 3.81Å |
| 149 | I | 92.9 | Very high | 88.3 | Confident | 88 Ų | 88 | 77.5 Ų | 77.5 | 45% | 0.451 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60.6 | -45.9 | -178.2 | -68.3 | 169.7 | 0 | 0 | 0 | 110.6 | I145 D146 V151 V152 R153 | I145-I149 HydrophobicContact CG2-CD1 3.8Å; I145-I149 HydrophobicContact CG2-CG1 4.39Å; I145-I149 WeakPolarHBondContact O-CG1 3.43Å; I145-I149 PolarHBondContact O-N 2.87Å; D146-I149 PolarHBondContact O-N 3.15Å; I149-V151 PolarHBondContact O-N 3.43Å; I149-V152 PolarHBondContact O-N 3.48Å; I149-R153 VanDerWaalsContact O-CB 3.28Å; I149-R153 WeakPolarHBondContact O-CB 3.49Å; I149-R153 PolarHBondContact O-N 2.87Å |
| 150 | R | 91.2 | Very high | 88.6 | Confident | 81 Ų | 81 | 73.6 Ų | 73.6 | 31% | 0.306 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.8 | -40.4 | -179.9 | -73.7 | -174.2 | -161.9 | -170.1 | 9.5 | 112.4 | Y141 D146 G147 L148 R153 H154 | Y141-R150 HydrophobicContact CE1-CB 4.18Å; D146-R150 WeakPolarHBondContact O-CB 3.33Å; D146-R150 VanDerWaalsContact O-CG 3.31Å; D146-R150 WeakPolarHBondContact O-CG 3.33Å; D146-R150 PolarHBondContact O-N 3.25Å; D146-R150 IonicContact OD1-CZ 3.7Å; D146-R150 IonicContact OD1-NE 3.77Å; D146-R150 PolarHBondContact OD1-NE 3.18Å; D146-R150 IonicContact OD1-NH2 2.74Å; D146-R150 PolarHBondContact OD1-NH2 2.76Å; D146-R150 IonicContact OD2-CZ 3.73Å; D146-R150 VanDerWaalsContact OD2-CZ 3.27Å; D146-R150 IonicContact OD2-NE 3Å; D146-R150 PolarHBondContact OD2-NE 3.48Å; D146-R150 IonicContact OD2-NH2 2.65Å; D146-R150 PolarHBondContact OD2-NH2 3.34Å; G147-R150 PolarHBondContact O-N 3.32Å; L148-R150 PolarHBondContact O-N 3.04Å; R150-R153 PolarHBondContact O-N 3.25Å; R150-H154 WeakPolarHBondContact O-CB 3.33Å; R150-H154 PolarHBondContact O-CD2 2.9Å; R150-H154 PolarHBondContact O-N 3.47Å |
| 151 | V | 89.6 | Confident | 88.9 | Confident | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.3 | -47.6 | 176.1 | 170.7 | 0 | 0 | 0 | 0 | 110.5 | M122 I123 G147 L148 I149 R153 E155 G156 K159 L160 | M122-V151 HydrophobicContact CE-CB 4.28Å; M122-V151 HydrophobicContact CE-CG1 3.76Å; M122-V151 HydrophobicContact CE-CG2 3.77Å; I123-V151 HydrophobicContact CD1-CB 4.38Å; I123-V151 HydrophobicContact CD1-CG2 3.62Å; G147-V151 VanDerWaalsContact O-CG2 3.31Å; G147-V151 WeakPolarHBondContact O-CG2 3.31Å; G147-V151 PolarHBondContact O-N 3.38Å; L148-V151 PolarHBondContact O-N 3.19Å; I149-V151 PolarHBondContact O-N 3.43Å; V151-R153 VanDerWaalsContact C-N 3.27Å; V151-R153 PolarHBondContact O-N 2.89Å; V151-E155 HydrophobicContact CG1-CB 4.31Å; V151-E155 CarbonylContact O-C 3.58Å; V151-E155 WeakPolarHBondContact O-CA 3.48Å; V151-E155 WeakPolarHBondContact O-CB 3.41Å; V151-E155 PolarHBondContact O-N 2.91Å; V151-G156 PolarHBondContact O-N 3.28Å; V151-G156 VanDerWaalsContact O-N 3.09Å; V151-K159 HydrophobicContact CG1-CB 4.34Å; V151-L160 HydrophobicContact CB-CD2 4.11Å; V151-L160 HydrophobicContact CG1-CD2 3.62Å; V151-L160 HydrophobicContact CG1-CG 3.99Å |
| 152 | V | 92.4 | Very high | 88.9 | Confident | 74 Ų | 74 | 76.5 Ų | 76.5 | 45% | 0.448 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -59.6 | -42.3 | 178.8 | 174.4 | 0 | 0 | 0 | 0 | 110.9 | L148 I149 G156 L160 | L148-V152 WeakPolarHBondContact O-CG2 3.43Å; L148-V152 PolarHBondContact O-N 3.05Å; I149-V152 PolarHBondContact O-N 3.48Å; V152-G156 WeakPolarHBondContact O-CA 3.41Å; V152-G156 PolarHBondContact O-N 2.94Å; V152-L160 HydrophobicContact CG2-CD1 3.52Å; V152-L160 HydrophobicContact CG2-CG 4.43Å |
| 153 | R | 92.5 | Very high | 88.7 | Confident | 195 Ų | 195 | 70.5 Ų | 70.5 | 74% | 0.736 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -74.2 | -39.8 | -176.8 | -175.3 | 175.7 | -80 | 179.7 | -5.5 | 113.8 | I149 R150 V151 | I149-R153 VanDerWaalsContact O-CB 3.28Å; I149-R153 WeakPolarHBondContact O-CB 3.49Å; I149-R153 PolarHBondContact O-N 2.87Å; R150-R153 PolarHBondContact O-N 3.25Å; V151-R153 VanDerWaalsContact C-N 3.27Å; V151-R153 PolarHBondContact O-N 2.89Å |
| 154 | H | 91.5 | Very high | 88.7 | Confident | 142 Ų | 142 | 67.8 Ų | 67.8 | 66% | 0.657 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -103.6 | -28.5 | -171.3 | -63 | -65.4 | 0 | 0 | 0 | 114.4 | R150 | R150-H154 WeakPolarHBondContact O-CB 3.33Å; R150-H154 PolarHBondContact O-CD2 2.9Å; R150-H154 PolarHBondContact O-N 3.47Å |
| 155 | E | 88.3 | Confident | 88.6 | Confident | 86 Ų | 86 | 71.1 Ų | 71.1 | 40% | 0.402 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.2 | -11 | -176.6 | -63.9 | 175.7 | -130.2 | 0 | 0 | 113.1 | R126 V151 K159 | R126-E155 IonicContact CZ-OE1 3.07Å; R126-E155 IonicContact CZ-OE2 2.6Å; R126-E155 VanDerWaalsContact NH1-CD 3.31Å; R126-E155 IonicContact NH1-OE1 3.53Å; R126-E155 PolarHBondContact NH1-OE1 2.91Å; R126-E155 IonicContact NH1-OE2 3.17Å; R126-E155 PolarHBondContact NH1-OE2 3.02Å; R126-E155 IonicContact NH2-OE1 2.9Å; R126-E155 IonicContact NH2-OE2 3.88Å; R126-E155 PolarHBondContact NH2-OE2 3.28Å; V151-E155 HydrophobicContact CG1-CB 4.31Å; V151-E155 CarbonylContact O-C 3.58Å; V151-E155 WeakPolarHBondContact O-CA 3.48Å; V151-E155 WeakPolarHBondContact O-CB 3.41Å; V151-E155 PolarHBondContact O-N 2.91Å; E155-K159 HydrophobicContact CB-CB 4.16Å; E155-K159 HydrophobicContact CB-CG 4.09Å |
| 156 | G | 86.1 | Confident | 88.1 | Confident | 30 Ų | 30 | 67.2 Ų | 67.2 | 31% | 0.309 | 35% | 0.354 | S | S | . | . | trans | 88.7 | 144 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | V151 V152 I158 K159 | V151-G156 PolarHBondContact O-N 3.28Å; V151-G156 VanDerWaalsContact O-N 3.09Å; V152-G156 WeakPolarHBondContact O-CA 3.41Å; V152-G156 PolarHBondContact O-N 2.94Å; G156-I158 PolarHBondContact O-N 3.47Å; G156-K159 WeakPolarHBondContact O-CB 3.48Å; G156-K159 PolarHBondContact O-N 2.92Å | ||
| 157 | G | 87.9 | Confident | 87.7 | Confident | 31 Ų | 31 | 66.5 Ų | 66.5 | 32% | 0.32 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -59.7 | -29.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | K159 L160 | G157-K159 PolarHBondContact O-N 3.21Å; G157-L160 WeakPolarHBondContact O-CB 3.45Å; G157-L160 PolarHBondContact O-N 3.19Å; G157-L160 VanDerWaalsContact O-N 3.15Å |
| 158 | I | 88.6 | Confident | 87.8 | Confident | 146 Ų | 146 | 66.5 Ų | 66.5 | 75% | 0.749 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -61 | -31.9 | 176.4 | -64.3 | 170.7 | 0 | 0 | 0 | 111 | G156 L160 F161 | G156-I158 PolarHBondContact O-N 3.47Å; I158-L160 PolarHBondContact O-N 3.44Å; I158-L160 VanDerWaalsContact O-N 3.16Å; I158-F161 PolarHBondContact O-N 2.74Å |
| 159 | K | 87.5 | Confident | 87.7 | Confident | 81 Ų | 81 | 66.4 Ų | 66.4 | 35% | 0.352 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -60.1 | -29.1 | 179.5 | -163.4 | 73.2 | 176.7 | -173.1 | 0 | 112.6 | V151 E155 G156 G157 F161 N162 | V151-K159 HydrophobicContact CG1-CB 4.34Å; E155-K159 HydrophobicContact CB-CB 4.16Å; E155-K159 HydrophobicContact CB-CG 4.09Å; G156-K159 WeakPolarHBondContact O-CB 3.48Å; G156-K159 PolarHBondContact O-N 2.92Å; G157-K159 PolarHBondContact O-N 3.21Å; K159-F161 PolarHBondContact O-N 2.91Å; K159-N162 PolarHBondContact NZ-ND2 3.46Å; K159-N162 WeakPolarHBondContact O-CB 3.19Å; K159-N162 PolarHBondContact O-N 2.85Å; K159-N162 VanDerWaalsContact O-N 3.13Å |
| 160 | L | 87.4 | Confident | 87.5 | Confident | 14 Ų | 14 | 64.3 Ų | 64.3 | 7% | 0.073 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -63.8 | -19.5 | 176.2 | -66.7 | 173.1 | 0 | 0 | 0 | 113.3 | N118 P119 M122 L148 V151 V152 G157 I158 | N118-L160 PolarHBondContact ND2-O 2.94Å; P119-L160 HydrophobicContact CB-CB 4.07Å; P119-L160 HydrophobicContact CB-CD1 4.22Å; P119-L160 HydrophobicContact CB-CD2 4.17Å; P119-L160 HydrophobicContact CB-CG 4.41Å; P119-L160 HydrophobicContact CG-CB 4.14Å; M122-L160 HydrophobicContact CE-CD2 3.78Å; L148-L160 HydrophobicContact CD2-CD1 4.23Å; L148-L160 HydrophobicContact CD2-CD2 3.81Å; V151-L160 HydrophobicContact CB-CD2 4.11Å; V151-L160 HydrophobicContact CG1-CD2 3.62Å; V151-L160 HydrophobicContact CG1-CG 3.99Å; V152-L160 HydrophobicContact CG2-CD1 3.52Å; V152-L160 HydrophobicContact CG2-CG 4.43Å; G157-L160 WeakPolarHBondContact O-CB 3.45Å; G157-L160 PolarHBondContact O-N 3.19Å; G157-L160 VanDerWaalsContact O-N 3.15Å; I158-L160 PolarHBondContact O-N 3.44Å; I158-L160 VanDerWaalsContact O-N 3.16Å |
| 161 | F | 88.2 | Confident | 87.5 | Confident | 92 Ų | 92 | 60.7 Ų | 60.7 | 40% | 0.404 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -102 | 8.3 | 178.8 | -63.7 | -83.4 | 0 | 0 | 0 | 112.8 | N118 P119 I158 K159 G163 V164 | N118-F161 WeakPolarHBondContact ND2-CA 3.17Å; P119-F161 HydrophobicContact CG-CE1 4.3Å; P119-F161 HydrophobicContact CG-CZ 4.16Å; I158-F161 PolarHBondContact O-N 2.74Å; K159-F161 PolarHBondContact O-N 2.91Å; F161-G163 PolarHBondContact O-N 3.23Å; F161-V164 HydrophobicContact CB-CB 4.38Å; F161-V164 HydrophobicContact CB-CG1 4.34Å; F161-V164 HydrophobicContact CD1-CG2 4.33Å; F161-V164 VanDerWaalsContact O-CB 3.24Å; F161-V164 WeakPolarHBondContact O-CB 3.25Å; F161-V164 VanDerWaalsContact O-CG1 3.25Å; F161-V164 WeakPolarHBondContact O-CG1 3.34Å; F161-V164 PolarHBondContact O-N 2.81Å |
| 162 | N | 80.9 | Confident | 87.7 | Confident | 89 Ų | 89 | 61.1 Ų | 61.1 | 48% | 0.476 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | 128.6 | 172.4 | -88.6 | 16.5 | 0 | 0 | 0 | 110.4 | N118 K159 V164 | N118-N162 PolarHBondContact ND2-O 2.9Å; K159-N162 PolarHBondContact NZ-ND2 3.46Å; K159-N162 WeakPolarHBondContact O-CB 3.19Å; K159-N162 PolarHBondContact O-N 2.85Å; K159-N162 VanDerWaalsContact O-N 3.13Å; N162-V164 VanDerWaalsContact C-N 3.26Å; N162-V164 PolarHBondContact O-N 3.19Å |
| 163 | G | 79 | Confident | 87.8 | Confident | 42 Ų | 42 | 60.8 Ų | 60.8 | 43% | 0.433 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.5 | 9 | -178 | 0 | 0 | 0 | 0 | 0 | 114.8 | F161 S165 M166 T167 | F161-G163 PolarHBondContact O-N 3.23Å; G163-S165 PolarHBondContact O-N 3.42Å; G163-M166 PolarHBondContact O-N 3.35Å; G163-M166 VanDerWaalsContact O-N 3.11Å; G163-T167 PolarHBondContact O-N 3.4Å; G163-T167 PolarHBondContact O-OG1 3.16Å; G163-T167 VanDerWaalsContact O-OG1 3.14Å |
| 164 | V | 87 | Confident | 87.7 | Confident | 37 Ų | 37 | 52.6 Ų | 52.6 | 22% | 0.224 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -56.7 | -36.4 | -177.5 | 68.5 | 0 | 0 | 0 | 0 | 112.8 | V115 N118 F161 N162 M166 T167 A168 | V115-V164 HydrophobicContact CB-CG2 4.27Å; V115-V164 HydrophobicContact CG1-CG2 4.31Å; V115-V164 HydrophobicContact CG2-CG2 4.03Å; N118-V164 HydrophobicContact CB-CB 4.4Å; N118-V164 HydrophobicContact CB-CG2 4.04Å; F161-V164 HydrophobicContact CB-CB 4.38Å; F161-V164 HydrophobicContact CB-CG1 4.34Å; F161-V164 HydrophobicContact CD1-CG2 4.33Å; F161-V164 VanDerWaalsContact O-CB 3.24Å; F161-V164 WeakPolarHBondContact O-CB 3.25Å; F161-V164 VanDerWaalsContact O-CG1 3.25Å; F161-V164 WeakPolarHBondContact O-CG1 3.34Å; F161-V164 PolarHBondContact O-N 2.81Å; N162-V164 VanDerWaalsContact C-N 3.26Å; N162-V164 PolarHBondContact O-N 3.19Å; V164-M166 PolarHBondContact O-N 3.4Å; V164-T167 PolarHBondContact O-N 3.03Å; V164-A168 WeakPolarHBondContact O-CB 3.44Å; V164-A168 PolarHBondContact O-N 3.44Å |
| 165 | S | 85.3 | Confident | 87.8 | Confident | 80 Ų | 80 | 45.9 Ų | 45.9 | 56% | 0.559 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -59.8 | -46.5 | 177.9 | 55.6 | 0 | 0 | 0 | 0 | 111.8 | G163 S169 | G163-S165 PolarHBondContact O-N 3.42Å; S165-S169 VanDerWaalsContact O-CB 3.29Å; S165-S169 WeakPolarHBondContact O-CB 3.2Å; S165-S169 PolarHBondContact O-N 3.28Å; S165-S169 PolarHBondContact O-OG 3.45Å |
| 166 | M | 81.1 | Confident | 88.1 | Confident | 24 Ų | 24 | 42.8 Ų | 42.8 | 12% | 0.118 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67.2 | -43.6 | 177.4 | -178.3 | 96.4 | -77.5 | 0 | 0 | 111.2 | G163 V164 R170 F220 K224 L238 | G163-M166 PolarHBondContact O-N 3.35Å; G163-M166 VanDerWaalsContact O-N 3.11Å; V164-M166 PolarHBondContact O-N 3.4Å; M166-R170 VanDerWaalsContact O-CB 3.31Å; M166-R170 WeakPolarHBondContact O-CB 3.4Å; M166-R170 PolarHBondContact O-N 3.11Å; M166-F220 HydrophobicContact CE-CD1 3.97Å; M166-K224 HydrophobicContact CG-CB 4.49Å; M166-K224 HydrophobicContact CG-CD 3.91Å; M166-K224 HydrophobicContact CG-CG 4.21Å; M166-K224 HydrophobicContact SD-CB 3.84Å; M166-K224 HydrophobicContact SD-CD 4.38Å; M166-K224 HydrophobicContact SD-CG 4.11Å; M166-L238 HydrophobicContact CE-CD1 3.63Å; M166-L238 HydrophobicContact CE-CD2 3.99Å; M166-L238 HydrophobicContact CE-CG 4.49Å; M166-L238 HydrophobicContact SD-CD1 3.69Å; M166-L238 HydrophobicContact SD-CD2 3.69Å; M166-L238 HydrophobicContact SD-CG 4.3Å |
| 167 | T | 84.2 | Confident | 88.4 | Confident | 22 Ų | 22 | 41.4 Ų | 41.4 | 14% | 0.135 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.9 | -45.2 | -179.2 | -52.5 | 0 | 0 | 0 | 0 | 111.5 | N118 G163 V164 A171 | N118-T167 WeakPolarHBondContact OD1-CB 3.38Å; N118-T167 PolarHBondContact OD1-OG1 2.85Å; G163-T167 PolarHBondContact O-N 3.4Å; G163-T167 PolarHBondContact O-OG1 3.16Å; G163-T167 VanDerWaalsContact O-OG1 3.14Å; V164-T167 PolarHBondContact O-N 3.03Å; T167-A171 WeakPolarHBondContact O-CB 3.39Å; T167-A171 PolarHBondContact O-N 2.79Å |
| 168 | A | 90.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67.9 | -43.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | F111 V115 V164 A171 A172 | F111-A168 HydrophobicContact CD1-CB 4.5Å; F111-A168 HydrophobicContact CD2-CB 3.67Å; F111-A168 HydrophobicContact CE1-CB 4.43Å; F111-A168 HydrophobicContact CE2-CB 3.59Å; F111-A168 HydrophobicContact CG-CB 4.15Å; F111-A168 HydrophobicContact CZ-CB 3.99Å; V115-A168 HydrophobicContact CG2-CB 3.84Å; V164-A168 WeakPolarHBondContact O-CB 3.44Å; V164-A168 PolarHBondContact O-N 3.44Å; A168-A171 WeakPolarHBondContact O-CB 3.5Å; A168-A171 PolarHBondContact O-N 3.48Å; A168-A172 PolarHBondContact O-N 2.89Å |
| 169 | S | 89.2 | Confident | 88.5 | Confident | 40 Ų | 40 | 33.2 Ų | 33.2 | 28% | 0.28 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -61.7 | -47.5 | 175 | -66.2 | 0 | 0 | 0 | 0 | 111.5 | S165 A171 A172 F173 | S165-S169 VanDerWaalsContact O-CB 3.29Å; S165-S169 WeakPolarHBondContact O-CB 3.2Å; S165-S169 PolarHBondContact O-N 3.28Å; S165-S169 PolarHBondContact O-OG 3.45Å; S169-A171 VanDerWaalsContact C-N 3.28Å; S169-A171 PolarHBondContact O-N 2.95Å; S169-A172 WeakPolarHBondContact O-CB 3.4Å; S169-A172 PolarHBondContact O-N 2.67Å; S169-F173 WeakPolarHBondContact O-CD2 3.35Å; S169-F173 PolarHBondContact O-N 3.36Å |
| 170 | R | 88.5 | Confident | 88.7 | Confident | 45 Ų | 45 | 29.4 Ų | 29.4 | 17% | 0.17 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -57.5 | -44.9 | 174.6 | -177 | -161.8 | 159.2 | 111.6 | 29.2 | 111 | M166 A172 F173 M174 D221 | M166-R170 VanDerWaalsContact O-CB 3.31Å; M166-R170 WeakPolarHBondContact O-CB 3.4Å; M166-R170 PolarHBondContact O-N 3.11Å; R170-A172 VanDerWaalsContact C-N 3.33Å; R170-A172 PolarHBondContact O-N 3.3Å; R170-F173 PolarHBondContact O-N 2.9Å; R170-M174 WeakPolarHBondContact O-CB 3.45Å; R170-M174 PolarHBondContact O-N 2.81Å; R170-D221 IonicContact CZ-OD1 3.51Å; R170-D221 IonicContact CZ-OD2 2.95Å; R170-D221 IonicContact NE-OD1 3.69Å; R170-D221 IonicContact NH1-OD1 2.85Å; R170-D221 PolarHBondContact NH1-OD1 2.89Å; R170-D221 IonicContact NH1-OD2 3.14Å; R170-D221 PolarHBondContact NH1-OD2 3.01Å; R170-D221 IonicContact NH2-OD1 3.27Å; R170-D221 IonicContact NH2-OD2 3.22Å; R170-D221 PolarHBondContact NH2-OD2 3.14Å |
| 171 | A | 91.5 | Very high | 88.9 | Confident | 5 Ų | 5 | 31 Ų | 31 | 4% | 0.041 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.8 | -37.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y78 G110 T167 A168 S169 T175 | Y78-A171 HydrophobicContact CE2-CB 3.65Å; G110-A171 WeakPolarHBondContact O-CB 3.48Å; T167-A171 WeakPolarHBondContact O-CB 3.39Å; T167-A171 PolarHBondContact O-N 2.79Å; A168-A171 WeakPolarHBondContact O-CB 3.5Å; A168-A171 PolarHBondContact O-N 3.48Å; S169-A171 VanDerWaalsContact C-N 3.28Å; S169-A171 PolarHBondContact O-N 2.95Å; A171-T175 VanDerWaalsContact O-CB 3.26Å; A171-T175 WeakPolarHBondContact O-CB 3.27Å; A171-T175 PolarHBondContact O-N 2.87Å; A171-T175 PolarHBondContact O-OG1 3.5Å |
| 172 | A | 94.1 | Very high | 88.9 | Confident | 8 Ų | 8 | 26.9 Ų | 26.9 | 7% | 0.066 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59 | -56.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | L107 F111 A168 S169 R170 M174 T175 L176 | L107-A172 HydrophobicContact CD2-CB 3.99Å; L107-A172 WeakPolarHBondContact O-CB 3.11Å; F111-A172 HydrophobicContact CB-CB 4.09Å; A168-A172 PolarHBondContact O-N 2.89Å; S169-A172 WeakPolarHBondContact O-CB 3.4Å; S169-A172 PolarHBondContact O-N 2.67Å; R170-A172 VanDerWaalsContact C-N 3.33Å; R170-A172 PolarHBondContact O-N 3.3Å; A172-M174 VanDerWaalsContact C-N 3.32Å; A172-M174 PolarHBondContact O-N 3.48Å; A172-T175 PolarHBondContact O-N 3.37Å; A172-L176 PolarHBondContact O-N 3.32Å |
| 173 | F | 93.4 | Very high | 89.2 | Confident | 67 Ų | 67 | 24 Ų | 24 | 29% | 0.294 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -64.8 | -36.3 | -179.5 | -74.9 | -69.1 | 0 | 0 | 0 | 113.1 | L107 S169 R170 G177 I216 T217 F220 | L107-F173 HydrophobicContact CD2-CD1 4.26Å; L107-F173 HydrophobicContact CD2-CE1 4.44Å; S169-F173 WeakPolarHBondContact O-CD2 3.35Å; S169-F173 PolarHBondContact O-N 3.36Å; R170-F173 PolarHBondContact O-N 2.9Å; F173-G177 PolarHBondContact O-N 3.37Å; F173-I216 HydrophobicContact CB-CG2 3.85Å; F173-I216 HydrophobicContact CD1-CG2 3.55Å; F173-I216 HydrophobicContact CG-CG2 4.04Å; F173-T217 HydrophobicContact CB-CG2 3.93Å; F173-F220 HydrophobicContact CD2-CD2 4.19Å; F173-F220 HydrophobicContact CD2-CE1 4.42Å; F173-F220 AromaticContact CD2-CE2 3.49Å; F173-F220 HydrophobicContact CD2-CE2 3.49Å; F173-F220 VanDerWaalsContact CD2-CE2 3.49Å; F173-F220 AromaticContact CD2-CZ 3.63Å; F173-F220 HydrophobicContact CD2-CZ 3.63Å; F173-F220 HydrophobicContact CE2-CE1 4.16Å; F173-F220 AromaticContact CE2-CE2 3.61Å; F173-F220 HydrophobicContact CE2-CE2 3.61Å; F173-F220 AromaticContact CE2-CZ 3.3Å; F173-F220 HydrophobicContact CE2-CZ 3.3Å; F173-F220 HydrophobicContact CG-CE2 4.03Å; F173-F220 HydrophobicContact CZ-CE2 4.19Å; F173-F220 AromaticContact CZ-CZ 3.98Å; F173-F220 HydrophobicContact CZ-CZ 3.98Å |
| 174 | M | 91.3 | Very high | 89.7 | Confident | 24 Ų | 24 | 27 Ų | 27 | 12% | 0.118 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64.8 | -41.8 | 175.1 | -173.9 | 162.6 | 164.1 | 0 | 0 | 111.4 | R170 A172 G177 Q178 T217 L264 | R170-M174 WeakPolarHBondContact O-CB 3.45Å; R170-M174 PolarHBondContact O-N 2.81Å; A172-M174 VanDerWaalsContact C-N 3.32Å; A172-M174 PolarHBondContact O-N 3.48Å; M174-G177 PolarHBondContact O-N 3.27Å; M174-Q178 HydrophobicContact CG-CG 4.5Å; M174-Q178 VanDerWaalsContact O-CB 3.31Å; M174-Q178 WeakPolarHBondContact O-CB 3.26Å; M174-Q178 WeakPolarHBondContact O-CG 3.44Å; M174-Q178 PolarHBondContact O-N 3.19Å; M174-T217 HydrophobicContact CB-CG2 3.85Å; M174-L264 HydrophobicContact CE-CD1 3.31Å; M174-L264 HydrophobicContact SD-CD1 4.48Å |
| 175 | T | 93.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -70.3 | -38.5 | 178.9 | -58.2 | 0 | 0 | 0 | 0 | 111.3 | Y78 R82 A106 G110 A171 A172 Q178 L179 | Y78-T175 PolarHBondContact OH-OG1 3.17Å; R82-T175 HydrophobicContact CB-CG2 4.19Å; R82-T175 HydrophobicContact CG-CG2 4.41Å; A106-T175 HydrophobicContact CB-CG2 4.32Å; A106-T175 WeakPolarHBondContact O-CB 3.48Å; A106-T175 WeakPolarHBondContact O-CG2 3.36Å; G110-T175 VanDerWaalsContact CA-OG1 3.25Å; G110-T175 WeakPolarHBondContact CA-OG1 3.3Å; A171-T175 VanDerWaalsContact O-CB 3.26Å; A171-T175 WeakPolarHBondContact O-CB 3.27Å; A171-T175 PolarHBondContact O-N 2.87Å; A171-T175 PolarHBondContact O-OG1 3.5Å; A172-T175 PolarHBondContact O-N 3.37Å; T175-Q178 PolarHBondContact O-N 3.14Å; T175-L179 HydrophobicContact CG2-CD1 3.76Å; T175-L179 HydrophobicContact CG2-CD2 4.15Å; T175-L179 HydrophobicContact CG2-CG 4.35Å; T175-L179 WeakPolarHBondContact O-CB 3.43Å; T175-L179 PolarHBondContact O-N 2.92Å |
| 176 | L | 94.3 | Very high | 89.8 | Confident | 22 Ų | 22 | 25 Ų | 25 | 12% | 0.115 | 12% | 0.121 | C | C | . | . | I | π-helix | trans | -54.2 | -55.2 | 169.7 | 173.4 | 64.4 | 0 | 0 | 0 | 111.3 | S103 L107 A172 Q178 A180 F181 | S103-L176 VanDerWaalsContact CB-CD1 3.41Å; S103-L176 WeakPolarHBondContact OG-CD1 3.22Å; L107-L176 HydrophobicContact CD1-CD2 4.38Å; L107-L176 HydrophobicContact CD2-CB 3.98Å; L107-L176 HydrophobicContact CD2-CD2 3.99Å; L107-L176 HydrophobicContact CG-CB 4.16Å; L107-L176 HydrophobicContact CG-CD2 4.18Å; A172-L176 PolarHBondContact O-N 3.32Å; L176-Q178 VanDerWaalsContact C-N 3.32Å; L176-Q178 PolarHBondContact O-N 3.01Å; L176-A180 HydrophobicContact CD1-CB 3.99Å; L176-A180 WeakPolarHBondContact O-CB 3.44Å; L176-A180 PolarHBondContact O-N 3.32Å; L176-F181 PolarHBondContact O-N 3.29Å |
| 177 | G | 92.1 | Very high | 90 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 13% | 0.134 | C | C | . | . | I | π-helix | trans | -65.3 | -32 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | F173 M174 F181 A209 | F173-G177 PolarHBondContact O-N 3.37Å; M174-G177 PolarHBondContact O-N 3.27Å; G177-F181 WeakPolarHBondContact O-CB 3.29Å; G177-A209 VanDerWaalsContact O-O 3.07Å |
| 178 | Q | 90.4 | Very high | 90.1 | Very high | 2 Ų | 2 | 31.8 Ų | 31.8 | 1% | 0.009 | 15% | 0.154 | C | C | . | . | I | π-helix | trans | -86.1 | -47.1 | -178.6 | -76.2 | -174.3 | -46 | 0 | 0 | 113.5 | M174 T175 L176 Y182 A213 T268 F272 | M174-Q178 HydrophobicContact CG-CG 4.5Å; M174-Q178 VanDerWaalsContact O-CB 3.31Å; M174-Q178 WeakPolarHBondContact O-CB 3.26Å; M174-Q178 WeakPolarHBondContact O-CG 3.44Å; M174-Q178 PolarHBondContact O-N 3.19Å; T175-Q178 PolarHBondContact O-N 3.14Å; L176-Q178 VanDerWaalsContact C-N 3.32Å; L176-Q178 PolarHBondContact O-N 3.01Å; Q178-Y182 WeakPolarHBondContact O-CB 3.37Å; Q178-Y182 PolarHBondContact O-N 3.1Å; Q178-A213 HydrophobicContact CG-CB 3.88Å; Q178-T268 HydrophobicContact CG-CG2 4.3Å; Q178-T268 PolarHBondContact NE2-OG1 3.08Å; Q178-F272 WeakPolarHBondContact O-CZ 3.36Å |
| 179 | L | 89 | Confident | 90 | Very high | 3 Ų | 3 | 32.9 Ų | 32.9 | 2% | 0.016 | 16% | 0.159 | C | C | . | . | I | π-helix | trans | -89.1 | -57 | -172.9 | -78.8 | 72 | 0 | 0 | 0 | 111.2 | R82 F83 Y86 T175 F181 Y182 D183 | R82-L179 VanDerWaalsContact NH1-CD1 3.33Å; F83-L179 HydrophobicContact CD1-CD2 3.9Å; F83-L179 HydrophobicContact CE1-CD1 4.38Å; F83-L179 HydrophobicContact CE1-CD2 3.97Å; F83-L179 HydrophobicContact CE1-CG 4.07Å; F83-L179 HydrophobicContact CG-CD2 4.46Å; F83-L179 HydrophobicContact CZ-CD1 4.29Å; F83-L179 HydrophobicContact CZ-CG 4.46Å; Y86-L179 HydrophobicContact CD1-CB 4.38Å; Y86-L179 HydrophobicContact CD1-CD2 3.62Å; Y86-L179 HydrophobicContact CD1-CG 4.5Å; Y86-L179 HydrophobicContact CD2-CB 4.48Å; Y86-L179 HydrophobicContact CD2-CD2 4.2Å; Y86-L179 HydrophobicContact CE1-CB 4.19Å; Y86-L179 HydrophobicContact CE1-CD2 4.25Å; Y86-L179 HydrophobicContact CE2-CB 4.32Å; Y86-L179 HydrophobicContact CG-CD2 3.58Å; T175-L179 HydrophobicContact CG2-CD1 3.76Å; T175-L179 HydrophobicContact CG2-CD2 4.15Å; T175-L179 HydrophobicContact CG2-CG 4.35Å; T175-L179 WeakPolarHBondContact O-CB 3.43Å; T175-L179 PolarHBondContact O-N 2.92Å; L179-F181 PolarHBondContact O-N 3Å; L179-Y182 PolarHBondContact O-N 2.82Å; L179-D183 PolarHBondContact O-N 3.14Å |
| 180 | A | 91.1 | Very high | 89.7 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.008 | 16% | 0.161 | C | C | . | . | I | π-helix | trans | -64.2 | -41.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112 | F99 A106 L176 K184 | F99-A180 HydrophobicContact CE2-CB 4.22Å; A106-A180 HydrophobicContact CB-CB 4.04Å; L176-A180 HydrophobicContact CD1-CB 3.99Å; L176-A180 WeakPolarHBondContact O-CB 3.44Å; L176-A180 PolarHBondContact O-N 3.32Å; A180-K184 WeakPolarHBondContact O-CB 3.1Å; A180-K184 PolarHBondContact O-N 2.95Å; A180-K184 VanDerWaalsContact O-N 3.1Å |
| 181 | F | 91.4 | Very high | 89.5 | Confident | 48 Ų | 48 | 37.8 Ų | 37.8 | 21% | 0.211 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -73.8 | -31.8 | 175.1 | -81.4 | -90 | 0 | 0 | 0 | 113.2 | F99 L176 G177 L179 K184 F185 V212 I216 | F99-F181 HydrophobicContact CE2-CD1 4.5Å; F99-F181 HydrophobicContact CE2-CD2 4.3Å; F99-F181 HydrophobicContact CE2-CE1 4.5Å; F99-F181 HydrophobicContact CE2-CE2 4.32Å; F99-F181 HydrophobicContact CE2-CG 4.41Å; F99-F181 HydrophobicContact CE2-CZ 4.42Å; F99-F181 HydrophobicContact CZ-CD2 4.16Å; F99-F181 HydrophobicContact CZ-CE1 4.09Å; F99-F181 AromaticContact CZ-CE2 3.73Å; F99-F181 HydrophobicContact CZ-CE2 3.73Å; F99-F181 AromaticContact CZ-CZ 3.69Å; F99-F181 HydrophobicContact CZ-CZ 3.69Å; L176-F181 PolarHBondContact O-N 3.29Å; G177-F181 WeakPolarHBondContact O-CB 3.29Å; L179-F181 PolarHBondContact O-N 3Å; F181-K184 PolarHBondContact O-N 3.16Å; F181-F185 HydrophobicContact CB-CD2 4.18Å; F181-F185 HydrophobicContact CB-CE2 3.97Å; F181-F185 AromaticContact CD1-CE2 3.98Å; F181-F185 HydrophobicContact CD1-CE2 3.98Å; F181-F185 HydrophobicContact CD1-CZ 4.02Å; F181-F185 HydrophobicContact CG-CE2 4.44Å; F181-F185 WeakPolarHBondContact O-CB 3.43Å; F181-F185 WeakPolarHBondContact O-CD2 3.35Å; F181-F185 VanDerWaalsContact O-CG 3.3Å; F181-F185 WeakPolarHBondContact O-CG 3.26Å; F181-F185 PolarHBondContact O-N 3.44Å; F181-V212 HydrophobicContact CD1-CB 4.35Å; F181-V212 HydrophobicContact CD1-CG1 3.86Å; F181-V212 HydrophobicContact CD1-CG2 4.18Å; F181-V212 HydrophobicContact CD2-CG1 3.72Å; F181-V212 HydrophobicContact CE1-CG1 3.83Å; F181-V212 HydrophobicContact CE1-CG2 4.46Å; F181-V212 HydrophobicContact CE2-CG1 3.67Å; F181-V212 HydrophobicContact CG-CB 4.31Å; F181-V212 HydrophobicContact CG-CG1 3.79Å; F181-V212 HydrophobicContact CZ-CG1 3.73Å; F181-I216 HydrophobicContact CE2-CD1 4.05Å |
| 182 | Y | 89.6 | Confident | 89.2 | Confident | 5 Ų | 5 | 41.2 Ų | 41.2 | 2% | 0.02 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61 | -49.5 | 172.4 | 169.6 | -97.1 | 0 | 0 | 0 | 111.1 | Q178 L179 K184 F185 K186 H202 A205 F272 E276 | Q178-Y182 WeakPolarHBondContact O-CB 3.37Å; Q178-Y182 PolarHBondContact O-N 3.1Å; L179-Y182 PolarHBondContact O-N 2.82Å; Y182-K184 VanDerWaalsContact C-N 3.27Å; Y182-K184 PolarHBondContact O-N 3.13Å; Y182-F185 PolarHBondContact O-N 3.25Å; Y182-K186 HydrophobicContact CE1-CD 4.13Å; Y182-K186 VanDerWaalsContact O-CB 3.26Å; Y182-K186 WeakPolarHBondContact O-CB 3.42Å; Y182-K186 PolarHBondContact O-N 3.36Å; Y182-H202 PolarHBondContact OH-ND1 2.75Å; Y182-A205 HydrophobicContact CD2-CB 3.96Å; Y182-A205 HydrophobicContact CE2-CB 3.93Å; Y182-F272 AromaticContact CD1-CD1 3.83Å; Y182-F272 HydrophobicContact CD1-CD1 3.83Å; Y182-F272 AromaticContact CD1-CE1 3.46Å; Y182-F272 HydrophobicContact CD1-CE1 3.46Å; Y182-F272 VanDerWaalsContact CD1-CE1 3.46Å; Y182-F272 AromaticContact CD1-CZ 3.94Å; Y182-F272 HydrophobicContact CD1-CZ 3.94Å; Y182-F272 HydrophobicContact CD2-CD1 4.04Å; Y182-F272 HydrophobicContact CD2-CD2 4.02Å; Y182-F272 HydrophobicContact CD2-CE1 4.14Å; Y182-F272 HydrophobicContact CD2-CE2 4.11Å; Y182-F272 AromaticContact CD2-CG 3.99Å; Y182-F272 HydrophobicContact CD2-CG 3.99Å; Y182-F272 HydrophobicContact CD2-CZ 4.17Å; Y182-F272 AromaticContact CE1-CD1 3.63Å; Y182-F272 HydrophobicContact CE1-CD1 3.63Å; Y182-F272 AromaticContact CE1-CE1 3.73Å; Y182-F272 HydrophobicContact CE1-CE1 3.73Å; Y182-F272 HydrophobicContact CE1-CG 4.42Å; Y182-F272 HydrophobicContact CE2-CB 4.06Å; Y182-F272 AromaticContact CE2-CD1 3.86Å; Y182-F272 HydrophobicContact CE2-CD1 3.86Å; Y182-F272 HydrophobicContact CE2-CD2 4.27Å; Y182-F272 HydrophobicContact CE2-CE1 4.37Å; Y182-F272 AromaticContact CE2-CG 3.81Å; Y182-F272 HydrophobicContact CE2-CG 3.81Å; Y182-F272 HydrophobicContact CG-CD1 4.02Å; Y182-F272 HydrophobicContact CG-CD2 4.39Å; Y182-F272 AromaticContact CG-CE1 3.68Å; Y182-F272 HydrophobicContact CG-CE1 3.68Å; Y182-F272 HydrophobicContact CG-CE2 4.06Å; Y182-F272 HydrophobicContact CG-CG 4.37Å; Y182-F272 AromaticContact CG-CZ 3.7Å; Y182-F272 HydrophobicContact CG-CZ 3.7Å; Y182-F272 AromaticContact CZ-CD1 3.64Å; Y182-E276 PolarHBondContact OH-OE1 2.78Å |
| 183 | D | 86.4 | Confident | 88.2 | Confident | 28 Ų | 28 | 44.3 Ų | 44.3 | 15% | 0.15 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.6 | -43.5 | 177.4 | -79.8 | -14.5 | 0 | 0 | 0 | 110.5 | Y86 K90 L179 K186 I187 | Y86-D183 VanDerWaalsContact CE1-OD2 3.26Å; Y86-D183 WeakPolarHBondContact CE1-OD2 3.43Å; Y86-D183 PolarHBondContact OH-OD2 3.21Å; K90-D183 IonicContact NZ-OD1 3.6Å; K90-D183 IonicContact NZ-OD2 3.63Å; L179-D183 PolarHBondContact O-N 3.14Å; D183-K186 PolarHBondContact O-N 3.19Å; D183-I187 VanDerWaalsContact O-CG1 3.27Å; D183-I187 WeakPolarHBondContact O-CG1 2.91Å; D183-I187 PolarHBondContact O-N 3.01Å |
| 184 | K | 89.2 | Confident | 87.3 | Confident | 107 Ų | 107 | 44.1 Ų | 44.1 | 47% | 0.465 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64.1 | -46 | 178.6 | -171 | 61.7 | 177.2 | 179.3 | 0 | 112.6 | F99 A180 F181 Y182 M188 | F99-K184 HydrophobicContact CD2-CB 4.11Å; F99-K184 HydrophobicContact CD2-CD 4.44Å; F99-K184 HydrophobicContact CD2-CG 4.23Å; F99-K184 HydrophobicContact CE2-CB 4.33Å; A180-K184 WeakPolarHBondContact O-CB 3.1Å; A180-K184 PolarHBondContact O-N 2.95Å; A180-K184 VanDerWaalsContact O-N 3.1Å; F181-K184 PolarHBondContact O-N 3.16Å; Y182-K184 VanDerWaalsContact C-N 3.27Å; Y182-K184 PolarHBondContact O-N 3.13Å; K184-M188 WeakPolarHBondContact O-CB 3.43Å; K184-M188 PolarHBondContact O-N 3.05Å |
| 185 | F | 90 | Very high | 86.6 | Confident | 40 Ų | 40 | 46.1 Ų | 46.1 | 18% | 0.175 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67.7 | -39 | 178.1 | -71.1 | -45.6 | 0 | 0 | 0 | 111.9 | F181 Y182 M188 L189 A205 A209 V212 | F181-F185 HydrophobicContact CB-CD2 4.18Å; F181-F185 HydrophobicContact CB-CE2 3.97Å; F181-F185 AromaticContact CD1-CE2 3.98Å; F181-F185 HydrophobicContact CD1-CE2 3.98Å; F181-F185 HydrophobicContact CD1-CZ 4.02Å; F181-F185 HydrophobicContact CG-CE2 4.44Å; F181-F185 WeakPolarHBondContact O-CB 3.43Å; F181-F185 WeakPolarHBondContact O-CD2 3.35Å; F181-F185 VanDerWaalsContact O-CG 3.3Å; F181-F185 WeakPolarHBondContact O-CG 3.26Å; F181-F185 PolarHBondContact O-N 3.44Å; Y182-F185 PolarHBondContact O-N 3.25Å; F185-M188 HydrophobicContact CD1-CE 3.9Å; F185-M188 HydrophobicContact CE1-CE 4.37Å; F185-M188 PolarHBondContact O-N 3.31Å; F185-L189 WeakPolarHBondContact O-CB 3.36Å; F185-L189 WeakPolarHBondContact O-CD1 3.42Å; F185-L189 WeakPolarHBondContact O-CG 3.49Å; F185-L189 PolarHBondContact O-N 3.18Å; F185-A205 HydrophobicContact CB-CB 4.23Å; F185-A209 HydrophobicContact CD2-CB 4.28Å; F185-V212 HydrophobicContact CE2-CG2 3.82Å; F185-V212 HydrophobicContact CZ-CG2 3.84Å |
| 186 | K | 85.3 | Confident | 85.8 | Confident | 34 Ų | 34 | 51 Ų | 51 | 15% | 0.148 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.6 | -51 | 175 | -177.2 | 177.9 | -179.1 | 176.4 | 0 | 110.3 | Y182 D183 M188 L189 I190 D197 A205 E276 | Y182-K186 HydrophobicContact CE1-CD 4.13Å; Y182-K186 VanDerWaalsContact O-CB 3.26Å; Y182-K186 WeakPolarHBondContact O-CB 3.42Å; Y182-K186 PolarHBondContact O-N 3.36Å; D183-K186 PolarHBondContact O-N 3.19Å; K186-M188 VanDerWaalsContact C-N 3.35Å; K186-M188 PolarHBondContact O-N 3.21Å; K186-L189 PolarHBondContact O-N 3.44Å; K186-I190 HydrophobicContact CG-CD1 3.81Å; K186-I190 VanDerWaalsContact O-CG1 3.3Å; K186-I190 WeakPolarHBondContact O-CG1 3.25Å; K186-I190 PolarHBondContact O-N 2.77Å; K186-D197 WeakPolarHBondContact CE-OD1 3.38Å; K186-D197 IonicContact NZ-OD1 2.87Å; K186-D197 PolarHBondContact NZ-OD1 3.22Å; K186-D197 IonicContact NZ-OD2 3.29Å; K186-A205 HydrophobicContact CB-CB 4.43Å; K186-E276 IonicContact NZ-OE1 3.53Å; K186-E276 PolarHBondContact NZ-OE1 3.19Å; K186-E276 IonicContact NZ-OE2 3.27Å |
| 187 | I | 84.9 | Confident | 84.9 | Confident | 75 Ų | 75 | 52 Ų | 52 | 39% | 0.385 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.3 | -44.3 | 177.8 | -67.4 | 165.7 | 0 | 0 | 0 | 110.9 | D183 L189 I190 N191 | D183-I187 VanDerWaalsContact O-CG1 3.27Å; D183-I187 WeakPolarHBondContact O-CG1 2.91Å; D183-I187 PolarHBondContact O-N 3.01Å; I187-L189 PolarHBondContact O-N 2.65Å; I187-I190 PolarHBondContact O-N 3.32Å; I187-N191 WeakPolarHBondContact CG2-ND2 3.2Å; I187-N191 VanDerWaalsContact O-CB 3.24Å; I187-N191 WeakPolarHBondContact O-CB 3.3Å; I187-N191 PolarHBondContact O-N 3.02Å |
| 188 | M | 87.3 | Confident | 84.3 | Confident | 114 Ų | 114 | 56.2 Ų | 56.2 | 56% | 0.562 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -62.8 | -41.5 | 179.6 | -172.2 | 179.9 | 79.6 | 0 | 0 | 112.5 | K184 F185 K186 S192 | K184-M188 WeakPolarHBondContact O-CB 3.43Å; K184-M188 PolarHBondContact O-N 3.05Å; F185-M188 HydrophobicContact CD1-CE 3.9Å; F185-M188 HydrophobicContact CE1-CE 4.37Å; F185-M188 PolarHBondContact O-N 3.31Å; K186-M188 VanDerWaalsContact C-N 3.35Å; K186-M188 PolarHBondContact O-N 3.21Å; M188-S192 PolarHBondContact O-N 2.7Å; M188-S192 VanDerWaalsContact O-N 3.17Å |
| 189 | L | 87.8 | Confident | 83.8 | Confident | 22 Ų | 22 | 60 Ų | 60 | 12% | 0.115 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -66.3 | -47.9 | 177.4 | -80.8 | 158.7 | 0 | 0 | 0 | 111 | F185 K186 I187 N191 S192 F195 T201 I204 A205 | F185-L189 WeakPolarHBondContact O-CB 3.36Å; F185-L189 WeakPolarHBondContact O-CD1 3.42Å; F185-L189 WeakPolarHBondContact O-CG 3.49Å; F185-L189 PolarHBondContact O-N 3.18Å; K186-L189 PolarHBondContact O-N 3.44Å; I187-L189 PolarHBondContact O-N 2.65Å; L189-N191 VanDerWaalsContact C-N 3.34Å; L189-N191 PolarHBondContact O-N 3.11Å; L189-S192 PolarHBondContact O-N 3.2Å; L189-S192 PolarHBondContact O-OG 3.36Å; L189-F195 HydrophobicContact CB-CB 4.27Å; L189-F195 HydrophobicContact CB-CD2 4.47Å; L189-F195 HydrophobicContact CB-CG 4.43Å; L189-F195 HydrophobicContact CD2-CD1 4.41Å; L189-F195 HydrophobicContact CD2-CD2 3.62Å; L189-F195 HydrophobicContact CD2-CE1 4.48Å; L189-F195 HydrophobicContact CD2-CE2 3.7Å; L189-F195 HydrophobicContact CD2-CG 4Å; L189-F195 HydrophobicContact CD2-CZ 4.15Å; L189-T201 HydrophobicContact CB-CG2 3.95Å; L189-T201 HydrophobicContact CD1-CG2 4.32Å; L189-I204 HydrophobicContact CD1-CB 4.24Å; L189-I204 HydrophobicContact CD1-CG2 3.93Å; L189-I204 HydrophobicContact CD2-CG2 4.28Å; L189-A205 HydrophobicContact CD1-CB 3.89Å |
| 190 | I | 83.5 | Confident | 83.5 | Confident | 63 Ų | 63 | 65.1 Ų | 65.1 | 32% | 0.323 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.5 | -43.1 | 179.6 | -66.5 | 170.6 | 0 | 0 | 0 | 110.8 | K186 I187 S192 G193 F195 T201 | K186-I190 HydrophobicContact CG-CD1 3.81Å; K186-I190 VanDerWaalsContact O-CG1 3.3Å; K186-I190 WeakPolarHBondContact O-CG1 3.25Å; K186-I190 PolarHBondContact O-N 2.77Å; I187-I190 PolarHBondContact O-N 3.32Å; I190-S192 PolarHBondContact O-N 2.99Å; I190-G193 PolarHBondContact O-N 3.14Å; I190-F195 WeakPolarHBondContact CA-O 3.32Å; I190-T201 HydrophobicContact CG1-CG2 4.38Å |
| 191 | N | 84.5 | Confident | 83.2 | Confident | 126 Ų | 126 | 65.1 Ų | 65.1 | 67% | 0.674 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -70.5 | -16 | 179.5 | -71 | -5.8 | 0 | 0 | 0 | 113.8 | I187 L189 G193 | I187-N191 WeakPolarHBondContact CG2-ND2 3.2Å; I187-N191 VanDerWaalsContact O-CB 3.24Å; I187-N191 WeakPolarHBondContact O-CB 3.3Å; I187-N191 PolarHBondContact O-N 3.02Å; L189-N191 VanDerWaalsContact C-N 3.34Å; L189-N191 PolarHBondContact O-N 3.11Å; N191-G193 PolarHBondContact O-N 3.04Å |
| 192 | S | 84.6 | Confident | 82.9 | Confident | 77 Ų | 77 | 63.5 Ų | 63.5 | 54% | 0.538 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -5.4 | 175.7 | 71.8 | 0 | 0 | 0 | 0 | 113.2 | M188 L189 I190 G194 | M188-S192 PolarHBondContact O-N 2.7Å; M188-S192 VanDerWaalsContact O-N 3.17Å; L189-S192 PolarHBondContact O-N 3.2Å; L189-S192 PolarHBondContact O-OG 3.36Å; I190-S192 PolarHBondContact O-N 2.99Å; S192-G194 PolarHBondContact O-N 2.97Å; S192-G194 VanDerWaalsContact O-N 3.1Å |
| 193 | G | 73.5 | Confident | 82.9 | Confident | 72 Ų | 72 | 67.2 Ų | 67.2 | 74% | 0.742 | 38% | 0.377 | S | S | * | . | S | Bend | trans | 76 | -12.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | I190 N191 | I190-G193 PolarHBondContact O-N 3.14Å; N191-G193 PolarHBondContact O-N 3.04Å |
| 194 | G | 74.9 | Confident | 83 | Confident | 63 Ų | 63 | 68.5 Ų | 68.5 | 65% | 0.649 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -90.2 | -14.2 | 179 | 0 | 0 | 0 | 0 | 0 | 115 | S192 | S192-G194 PolarHBondContact O-N 2.97Å; S192-G194 VanDerWaalsContact O-N 3.1Å |
| 195 | F | 75.2 | Confident | 83.1 | Confident | 66 Ų | 66 | 63.4 Ų | 63.4 | 29% | 0.289 | 36% | 0.361 | S | S | . | . | trans | -125.9 | 123.5 | -172.6 | -67.3 | -88.5 | 0 | 0 | 0 | 111.4 | L189 I190 L200 T201 I204 | L189-F195 HydrophobicContact CB-CB 4.27Å; L189-F195 HydrophobicContact CB-CD2 4.47Å; L189-F195 HydrophobicContact CB-CG 4.43Å; L189-F195 HydrophobicContact CD2-CD1 4.41Å; L189-F195 HydrophobicContact CD2-CD2 3.62Å; L189-F195 HydrophobicContact CD2-CE1 4.48Å; L189-F195 HydrophobicContact CD2-CE2 3.7Å; L189-F195 HydrophobicContact CD2-CG 4Å; L189-F195 HydrophobicContact CD2-CZ 4.15Å; I190-F195 WeakPolarHBondContact CA-O 3.32Å; F195-L200 HydrophobicContact CD1-CD2 4.43Å; F195-L200 HydrophobicContact CE1-CD2 3.97Å; F195-T201 HydrophobicContact CB-CG2 4.03Å; F195-I204 HydrophobicContact CD1-CD1 4.39Å; F195-I204 HydrophobicContact CE1-CD1 3.53Å; F195-I204 HydrophobicContact CZ-CD1 4.02Å | ||
| 196 | E | 76.9 | Confident | 83 | Confident | 104 Ų | 104 | 61.5 Ų | 61.5 | 49% | 0.486 | 35% | 0.353 | S | S | . | . | trans | -91.3 | 171.4 | 169.8 | -69.8 | 173.4 | -160.4 | 0 | 0 | 110.7 | K198 T201 | E196-K198 HydrophobicContact CB-CD 4.12Å; E196-K198 HydrophobicContact CB-CG 4.1Å; E196-K198 VanDerWaalsContact CD-NZ 3.29Å; E196-K198 PolarHBondContact O-N 3.42Å; E196-K198 IonicContact OE1-NZ 2.75Å; E196-K198 WeakPolarHBondContact OE2-CE 3.18Å; E196-K198 IonicContact OE2-NZ 2.75Å; E196-K198 PolarHBondContact OE2-NZ 3.03Å; E196-T201 WeakPolarHBondContact O-CB 3.38Å; E196-T201 PolarHBondContact O-OG1 3.23Å | ||
| 197 | D | 75.3 | Confident | 83.2 | Confident | 41 Ų | 41 | 61.5 Ų | 61.5 | 22% | 0.219 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -70.8 | 76.2 | 172.8 | -142 | 15.3 | 0 | 0 | 0 | 110.1 | R7 K186 H202 | R7-D197 PolarHBondContact NH1-O 2.88Å; K186-D197 WeakPolarHBondContact CE-OD1 3.38Å; K186-D197 IonicContact NZ-OD1 2.87Å; K186-D197 PolarHBondContact NZ-OD1 3.22Å; K186-D197 IonicContact NZ-OD2 3.29Å; D197-H202 IonicContact OD1-CE1 2.72Å; D197-H202 PolarHBondContact OD1-CE1 3.09Å; D197-H202 IonicContact OD1-NE2 3.39Å; D197-H202 PolarHBondContact OD1-NE2 2.9Å |
| 198 | K | 79.9 | Confident | 83.6 | Confident | 90 Ų | 90 | 60.4 Ų | 60.4 | 39% | 0.391 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -124.2 | 156 | -175.6 | -77.2 | 177.1 | 179.3 | 151.5 | 0 | 109.5 | E196 L200 T201 H202 | E196-K198 HydrophobicContact CB-CD 4.12Å; E196-K198 HydrophobicContact CB-CG 4.1Å; E196-K198 VanDerWaalsContact CD-NZ 3.29Å; E196-K198 PolarHBondContact O-N 3.42Å; E196-K198 IonicContact OE1-NZ 2.75Å; E196-K198 WeakPolarHBondContact OE2-CE 3.18Å; E196-K198 IonicContact OE2-NZ 2.75Å; E196-K198 PolarHBondContact OE2-NZ 3.03Å; K198-L200 PolarHBondContact O-N 3.07Å; K198-T201 WeakPolarHBondContact O-CB 3.25Å; K198-T201 PolarHBondContact O-N 2.8Å; K198-H202 PolarHBondContact O-CD2 3.45Å; K198-H202 PolarHBondContact O-N 3.07Å |
| 199 | P | 78.8 | Confident | 83.8 | Confident | 81 Ų | 81 | 55 Ų | 55 | 53% | 0.526 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -50.3 | -36.1 | 177.9 | -28.9 | 35.4 | 0 | 0 | 0 | 114.4 | H202 L203 | P199-H202 PolarHBondContact O-N 2.89Å; P199-L203 WeakPolarHBondContact O-CB 3.24Å; P199-L203 PolarHBondContact O-N 3.09Å |
| 200 | L | 83.7 | Confident | 83.9 | Confident | 110 Ų | 110 | 53.9 Ų | 53.9 | 58% | 0.576 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -61 | -44.5 | 177.3 | -168.3 | 87.2 | 0 | 0 | 0 | 112 | F195 K198 H202 L203 I204 | F195-L200 HydrophobicContact CD1-CD2 4.43Å; F195-L200 HydrophobicContact CE1-CD2 3.97Å; K198-L200 PolarHBondContact O-N 3.07Å; L200-H202 VanDerWaalsContact C-N 3.35Å; L200-H202 PolarHBondContact O-N 3.41Å; L200-L203 WeakPolarHBondContact O-CB 3.46Å; L200-L203 PolarHBondContact O-N 3.3Å; L200-I204 HydrophobicContact CD2-CD1 4.29Å; L200-I204 HydrophobicContact CG-CD1 4.12Å; L200-I204 WeakPolarHBondContact O-CG1 3.13Å; L200-I204 PolarHBondContact O-N 3.46Å |
| 201 | T | 85 | Confident | 84.3 | Confident | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.012 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.9 | -43.9 | 178.6 | -51.2 | 0 | 0 | 0 | 0 | 110.7 | L189 I190 F195 E196 K198 L203 I204 A205 | L189-T201 HydrophobicContact CB-CG2 3.95Å; L189-T201 HydrophobicContact CD1-CG2 4.32Å; I190-T201 HydrophobicContact CG1-CG2 4.38Å; F195-T201 HydrophobicContact CB-CG2 4.03Å; E196-T201 WeakPolarHBondContact O-CB 3.38Å; E196-T201 PolarHBondContact O-OG1 3.23Å; K198-T201 WeakPolarHBondContact O-CB 3.25Å; K198-T201 PolarHBondContact O-N 2.8Å; T201-L203 VanDerWaalsContact C-N 3.32Å; T201-L203 PolarHBondContact O-N 3.02Å; T201-I204 PolarHBondContact O-N 3.37Å; T201-A205 VanDerWaalsContact O-CB 3.22Å; T201-A205 WeakPolarHBondContact O-CB 3.2Å; T201-A205 PolarHBondContact O-N 3.45Å |
| 202 | H | 85.1 | Confident | 84.7 | Confident | 13 Ų | 13 | 47.9 Ų | 47.9 | 6% | 0.06 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.5 | -38.9 | 174.9 | -58.7 | -62.2 | 0 | 0 | 0 | 112 | Y182 D197 K198 P199 L200 S206 E276 | Y182-H202 PolarHBondContact OH-ND1 2.75Å; D197-H202 IonicContact OD1-CE1 2.72Å; D197-H202 PolarHBondContact OD1-CE1 3.09Å; D197-H202 IonicContact OD1-NE2 3.39Å; D197-H202 PolarHBondContact OD1-NE2 2.9Å; K198-H202 PolarHBondContact O-CD2 3.45Å; K198-H202 PolarHBondContact O-N 3.07Å; P199-H202 PolarHBondContact O-N 2.89Å; L200-H202 VanDerWaalsContact C-N 3.35Å; L200-H202 PolarHBondContact O-N 3.41Å; H202-S206 WeakPolarHBondContact O-CB 3.31Å; H202-S206 PolarHBondContact O-N 2.74Å; H202-S206 PolarHBondContact O-OG 3.33Å; H202-E276 VanDerWaalsContact CE1-CG 3.49Å; H202-E276 WeakPolarHBondContact CE1-CG 3.49Å; H202-E276 IonicContact CE1-OE1 2.82Å; H202-E276 PolarHBondContact CE1-OE1 3.06Å; H202-E276 IonicContact CE1-OE2 3.75Å; H202-E276 IonicContact ND1-OE1 3.34Å; H202-E276 PolarHBondContact ND1-OE1 3.23Å |
| 203 | L | 88.2 | Confident | 85.1 | Confident | 83 Ų | 83 | 44.2 Ų | 44.2 | 44% | 0.435 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.5 | -46.2 | 177.5 | -173.4 | 151.3 | 0 | 0 | 0 | 111.4 | P199 L200 T201 S206 S207 V269 | P199-L203 WeakPolarHBondContact O-CB 3.24Å; P199-L203 PolarHBondContact O-N 3.09Å; L200-L203 WeakPolarHBondContact O-CB 3.46Å; L200-L203 PolarHBondContact O-N 3.3Å; T201-L203 VanDerWaalsContact C-N 3.32Å; T201-L203 PolarHBondContact O-N 3.02Å; L203-S206 PolarHBondContact O-OG 2.67Å; L203-S207 VanDerWaalsContact O-CB 3.22Å; L203-S207 WeakPolarHBondContact O-CB 3.22Å; L203-S207 PolarHBondContact O-N 3.43Å; L203-S207 PolarHBondContact O-OG 3.12Å; L203-V269 HydrophobicContact CG-CG1 4.29Å |
| 204 | I | 90 | Very high | 85.9 | Confident | 55 Ų | 55 | 40.9 Ų | 40.9 | 28% | 0.282 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -66.9 | -50.4 | 178.6 | -63.4 | 167.1 | 0 | 0 | 0 | 109.9 | L189 F195 L200 T201 S206 S207 S208 | L189-I204 HydrophobicContact CD1-CB 4.24Å; L189-I204 HydrophobicContact CD1-CG2 3.93Å; L189-I204 HydrophobicContact CD2-CG2 4.28Å; F195-I204 HydrophobicContact CD1-CD1 4.39Å; F195-I204 HydrophobicContact CE1-CD1 3.53Å; F195-I204 HydrophobicContact CZ-CD1 4.02Å; L200-I204 HydrophobicContact CD2-CD1 4.29Å; L200-I204 HydrophobicContact CG-CD1 4.12Å; L200-I204 WeakPolarHBondContact O-CG1 3.13Å; L200-I204 PolarHBondContact O-N 3.46Å; T201-I204 PolarHBondContact O-N 3.37Å; I204-S206 PolarHBondContact O-N 2.6Å; I204-S207 PolarHBondContact O-N 2.95Å; I204-S208 PolarHBondContact O-N 3.37Å; I204-S208 PolarHBondContact O-OG 3.14Å |
| 205 | A | 89.8 | Confident | 86.7 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.7 | -45.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112 | Y182 F185 K186 L189 T201 A209 | Y182-A205 HydrophobicContact CD2-CB 3.96Å; Y182-A205 HydrophobicContact CE2-CB 3.93Å; F185-A205 HydrophobicContact CB-CB 4.23Å; K186-A205 HydrophobicContact CB-CB 4.43Å; L189-A205 HydrophobicContact CD1-CB 3.89Å; T201-A205 VanDerWaalsContact O-CB 3.22Å; T201-A205 WeakPolarHBondContact O-CB 3.2Å; T201-A205 PolarHBondContact O-N 3.45Å; A205-A209 VanDerWaalsContact O-CB 3.26Å; A205-A209 WeakPolarHBondContact O-CB 3.29Å; A205-A209 PolarHBondContact O-N 2.85Å |
| 206 | S | 88.2 | Confident | 87.4 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -69.2 | -34.3 | 178.8 | 61 | 0 | 0 | 0 | 0 | 112.9 | H202 L203 I204 A210 V269 | H202-S206 WeakPolarHBondContact O-CB 3.31Å; H202-S206 PolarHBondContact O-N 2.74Å; H202-S206 PolarHBondContact O-OG 3.33Å; L203-S206 PolarHBondContact O-OG 2.67Å; I204-S206 PolarHBondContact O-N 2.6Å; S206-A210 VanDerWaalsContact O-CB 3.27Å; S206-A210 WeakPolarHBondContact O-CB 3.4Å; S206-A210 PolarHBondContact O-N 2.9Å; S206-V269 WeakPolarHBondContact OG-CG2 3.42Å |
| 207 | S | 90.7 | Very high | 88 | Confident | 35 Ų | 35 | 37.5 Ų | 37.5 | 25% | 0.245 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -68.5 | -44.5 | 174.9 | -61.6 | 0 | 0 | 0 | 0 | 111.7 | L203 I204 A210 G211 | L203-S207 VanDerWaalsContact O-CB 3.22Å; L203-S207 WeakPolarHBondContact O-CB 3.22Å; L203-S207 PolarHBondContact O-N 3.43Å; L203-S207 PolarHBondContact O-OG 3.12Å; I204-S207 PolarHBondContact O-N 2.95Å; S207-A210 PolarHBondContact O-N 3.35Å; S207-G211 PolarHBondContact O-N 2.82Å |
| 208 | S | 92.2 | Very high | 88.6 | Confident | 51 Ų | 51 | 35.7 Ų | 35.7 | 36% | 0.357 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -62.7 | -44.3 | 174.6 | -62.9 | 0 | 0 | 0 | 0 | 111.4 | I204 A210 G211 V212 | I204-S208 PolarHBondContact O-N 3.37Å; I204-S208 PolarHBondContact O-OG 3.14Å; S208-A210 PolarHBondContact O-N 3.02Å; S208-G211 PolarHBondContact O-N 2.94Å; S208-G211 VanDerWaalsContact O-N 3.14Å; S208-V212 PolarHBondContact O-N 2.88Å |
| 209 | A | 91.5 | Very high | 89 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.2 | -43 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | G177 F185 A205 G211 V212 A213 | G177-A209 VanDerWaalsContact O-O 3.07Å; F185-A209 HydrophobicContact CD2-CB 4.28Å; A205-A209 VanDerWaalsContact O-CB 3.26Å; A205-A209 WeakPolarHBondContact O-CB 3.29Å; A205-A209 PolarHBondContact O-N 2.85Å; A209-G211 VanDerWaalsContact C-N 3.28Å; A209-G211 PolarHBondContact O-N 2.87Å; A209-V212 PolarHBondContact O-N 3.26Å; A209-A213 VanDerWaalsContact O-CB 3.26Å; A209-A213 WeakPolarHBondContact O-CB 3.31Å; A209-A213 PolarHBondContact O-N 3.34Å |
| 210 | A | 90.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.3 | -37 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | S206 S207 S208 T214 F261 L264 A265 T268 | S206-A210 VanDerWaalsContact O-CB 3.27Å; S206-A210 WeakPolarHBondContact O-CB 3.4Å; S206-A210 PolarHBondContact O-N 2.9Å; S207-A210 PolarHBondContact O-N 3.35Å; S208-A210 PolarHBondContact O-N 3.02Å; A210-T214 WeakPolarHBondContact O-CB 3.36Å; A210-T214 PolarHBondContact O-N 2.9Å; A210-T214 PolarHBondContact O-OG1 3.25Å; A210-F261 HydrophobicContact CB-CE2 4.31Å; A210-L264 HydrophobicContact CB-CG 4.41Å; A210-A265 HydrophobicContact CB-CB 4.11Å; A210-T268 HydrophobicContact CB-CG2 4.09Å |
| 211 | G | 92.5 | Very high | 89.2 | Confident | 26 Ų | 26 | 26.8 Ų | 26.8 | 27% | 0.268 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -60.8 | -52.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | S207 S208 A209 T214 F215 | S207-G211 PolarHBondContact O-N 2.82Å; S208-G211 PolarHBondContact O-N 2.94Å; S208-G211 VanDerWaalsContact O-N 3.14Å; A209-G211 VanDerWaalsContact C-N 3.28Å; A209-G211 PolarHBondContact O-N 2.87Å; G211-T214 WeakPolarHBondContact O-CB 3.4Å; G211-T214 PolarHBondContact O-N 3.29Å; G211-F215 PolarHBondContact O-N 2.99Å |
| 212 | V | 93.1 | Very high | 89.1 | Confident | 36 Ų | 36 | 27.3 Ų | 27.3 | 22% | 0.218 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.8 | -45.7 | 177.7 | 176.8 | 0 | 0 | 0 | 0 | 111.4 | F181 F185 S208 A209 T214 F215 I216 | F181-V212 HydrophobicContact CD1-CB 4.35Å; F181-V212 HydrophobicContact CD1-CG1 3.86Å; F181-V212 HydrophobicContact CD1-CG2 4.18Å; F181-V212 HydrophobicContact CD2-CG1 3.72Å; F181-V212 HydrophobicContact CE1-CG1 3.83Å; F181-V212 HydrophobicContact CE1-CG2 4.46Å; F181-V212 HydrophobicContact CE2-CG1 3.67Å; F181-V212 HydrophobicContact CG-CB 4.31Å; F181-V212 HydrophobicContact CG-CG1 3.79Å; F181-V212 HydrophobicContact CZ-CG1 3.73Å; F185-V212 HydrophobicContact CE2-CG2 3.82Å; F185-V212 HydrophobicContact CZ-CG2 3.84Å; S208-V212 PolarHBondContact O-N 2.88Å; A209-V212 PolarHBondContact O-N 3.26Å; V212-T214 VanDerWaalsContact C-N 3.28Å; V212-T214 PolarHBondContact O-N 3.32Å; V212-F215 PolarHBondContact O-N 2.99Å; V212-F215 VanDerWaalsContact O-N 3.12Å; V212-I216 HydrophobicContact CG1-CD1 3.67Å; V212-I216 HydrophobicContact CG1-CG1 4.24Å; V212-I216 WeakPolarHBondContact O-CG1 3.3Å; V212-I216 PolarHBondContact O-N 2.94Å |
| 213 | A | 92.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58.1 | -41.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | Q178 A209 T217 L264 | Q178-A213 HydrophobicContact CG-CB 3.88Å; A209-A213 VanDerWaalsContact O-CB 3.26Å; A209-A213 WeakPolarHBondContact O-CB 3.31Å; A209-A213 PolarHBondContact O-N 3.34Å; A213-T217 WeakPolarHBondContact O-CB 3.48Å; A213-T217 VanDerWaalsContact O-CG2 3.3Å; A213-T217 WeakPolarHBondContact O-CG2 3.42Å; A213-T217 PolarHBondContact O-N 2.83Å; A213-T217 PolarHBondContact O-OG1 2.88Å; A213-L264 HydrophobicContact CB-CD2 3.8Å |
| 214 | T | 89.4 | Confident | 88.7 | Confident | 2 Ų | 2 | 26.6 Ų | 26.6 | 1% | 0.012 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.6 | -47.1 | 176 | -54.1 | 0 | 0 | 0 | 0 | 110 | A210 G211 V212 I216 T217 Q218 L257 F261 L264 | A210-T214 WeakPolarHBondContact O-CB 3.36Å; A210-T214 PolarHBondContact O-N 2.9Å; A210-T214 PolarHBondContact O-OG1 3.25Å; G211-T214 WeakPolarHBondContact O-CB 3.4Å; G211-T214 PolarHBondContact O-N 3.29Å; V212-T214 VanDerWaalsContact C-N 3.28Å; V212-T214 PolarHBondContact O-N 3.32Å; T214-I216 PolarHBondContact O-N 2.89Å; T214-T217 PolarHBondContact O-N 3.14Å; T214-T217 PolarHBondContact O-OG1 3.45Å; T214-Q218 VanDerWaalsContact O-CB 3.27Å; T214-Q218 WeakPolarHBondContact O-CB 3.4Å; T214-Q218 PolarHBondContact O-N 2.65Å; T214-L257 HydrophobicContact CG2-CD1 3.79Å; T214-F261 HydrophobicContact CG2-CB 4.14Å; T214-L264 WeakPolarHBondContact OG1-CD2 3.16Å |
| 215 | F | 91.7 | Very high | 88 | Confident | 116 Ų | 116 | 26.7 Ų | 26.7 | 51% | 0.509 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -60.6 | -45.4 | -178.7 | -165.9 | -94.8 | 0 | 0 | 0 | 112.7 | G211 V212 F254 L257 | G211-F215 PolarHBondContact O-N 2.99Å; V212-F215 PolarHBondContact O-N 2.99Å; V212-F215 VanDerWaalsContact O-N 3.12Å; F215-F254 HydrophobicContact CD1-CE1 4.2Å; F215-F254 HydrophobicContact CD2-CD1 4.14Å; F215-F254 AromaticContact CD2-CE1 3.75Å; F215-F254 HydrophobicContact CD2-CE1 3.75Å; F215-F254 AromaticContact CE1-CE1 3.89Å; F215-F254 HydrophobicContact CE1-CE1 3.89Å; F215-F254 HydrophobicContact CE1-CZ 4.03Å; F215-F254 AromaticContact CE2-CD1 3.86Å; F215-F254 HydrophobicContact CE2-CD1 3.86Å; F215-F254 AromaticContact CE2-CE1 3.4Å; F215-F254 HydrophobicContact CE2-CE1 3.4Å; F215-F254 VanDerWaalsContact CE2-CE1 3.4Å; F215-F254 HydrophobicContact CE2-CZ 4.02Å; F215-F254 HydrophobicContact CG-CE1 4.14Å; F215-F254 HydrophobicContact CZ-CD1 4.34Å; F215-F254 AromaticContact CZ-CE1 3.48Å; F215-F254 HydrophobicContact CZ-CE1 3.48Å; F215-F254 VanDerWaalsContact CZ-CE1 3.48Å; F215-F254 AromaticContact CZ-CZ 3.64Å; F215-F254 HydrophobicContact CZ-CZ 3.64Å; F215-L257 HydrophobicContact CD2-CD2 4.42Å |
| 216 | I | 91.8 | Very high | 87.5 | Confident | 44 Ų | 44 | 30.1 Ų | 30.1 | 23% | 0.226 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -67 | -38.4 | 178.9 | -62.7 | 172 | 0 | 0 | 0 | 111.3 | F173 F181 V212 T214 | F173-I216 HydrophobicContact CB-CG2 3.85Å; F173-I216 HydrophobicContact CD1-CG2 3.55Å; F173-I216 HydrophobicContact CG-CG2 4.04Å; F181-I216 HydrophobicContact CE2-CD1 4.05Å; V212-I216 HydrophobicContact CG1-CD1 3.67Å; V212-I216 HydrophobicContact CG1-CG1 4.24Å; V212-I216 WeakPolarHBondContact O-CG1 3.3Å; V212-I216 PolarHBondContact O-N 2.94Å; T214-I216 PolarHBondContact O-N 2.89Å |
| 217 | T | 89.4 | Confident | 87 | Confident | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.012 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -87.4 | -16.6 | -174.8 | 57.7 | 0 | 0 | 0 | 0 | 114 | F173 M174 A213 T214 F220 D221 | F173-T217 HydrophobicContact CB-CG2 3.93Å; M174-T217 HydrophobicContact CB-CG2 3.85Å; A213-T217 WeakPolarHBondContact O-CB 3.48Å; A213-T217 VanDerWaalsContact O-CG2 3.3Å; A213-T217 WeakPolarHBondContact O-CG2 3.42Å; A213-T217 PolarHBondContact O-N 2.83Å; A213-T217 PolarHBondContact O-OG1 2.88Å; T214-T217 PolarHBondContact O-N 3.14Å; T214-T217 PolarHBondContact O-OG1 3.45Å; T217-F220 WeakPolarHBondContact O-CB 3.46Å; T217-F220 PolarHBondContact O-N 3Å; T217-F220 VanDerWaalsContact O-N 3.14Å; T217-D221 PolarHBondContact O-N 2.91Å; T217-D221 VanDerWaalsContact O-N 3.1Å |
| 218 | Q | 88.2 | Confident | 86.1 | Confident | 4 Ų | 4 | 37.9 Ų | 37.9 | 2% | 0.019 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -56.6 | -43.5 | -175.7 | -170.1 | 65.1 | 16.5 | 0 | 0 | 114.1 | T214 F220 D221 V222 F253 F254 K255 G256 L257 S260 | T214-Q218 VanDerWaalsContact O-CB 3.27Å; T214-Q218 WeakPolarHBondContact O-CB 3.4Å; T214-Q218 PolarHBondContact O-N 2.65Å; Q218-F220 VanDerWaalsContact C-N 3.3Å; Q218-F220 PolarHBondContact O-N 3.1Å; Q218-D221 PolarHBondContact O-N 2.92Å; Q218-D221 VanDerWaalsContact O-N 3.11Å; Q218-V222 HydrophobicContact CG-CG2 4.46Å; Q218-V222 PolarHBondContact O-N 2.87Å; Q218-F253 WeakPolarHBondContact CG-O 3.5Å; Q218-F254 HydrophobicContact CB-CD1 4.36Å; Q218-F254 HydrophobicContact CG-CD1 4.35Å; Q218-K255 PolarHBondContact NE2-O 3.4Å; Q218-G256 VanDerWaalsContact NE2-C 3.31Å; Q218-L257 HydrophobicContact CB-CD1 3.92Å; Q218-L257 HydrophobicContact CG-CD1 3.88Å; Q218-S260 PolarHBondContact OE1-OG 3.03Å |
| 219 | P | 87.7 | Confident | 85.1 | Confident | 29 Ų | 29 | 41.4 Ų | 41.4 | 19% | 0.188 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.3 | -42.1 | 177.4 | -25.9 | 36 | 0 | 0 | 0 | 112.5 | D221 V222 M223 F253 | P219-D221 VanDerWaalsContact C-N 3.33Å; P219-D221 PolarHBondContact O-N 3.47Å; P219-V222 PolarHBondContact O-N 3.48Å; P219-M223 HydrophobicContact CB-CE 4.3Å; P219-M223 WeakPolarHBondContact O-CB 3.34Å; P219-M223 WeakPolarHBondContact O-CE 3.46Å; P219-M223 VanDerWaalsContact O-CG 3.3Å; P219-M223 WeakPolarHBondContact O-CG 3.48Å; P219-M223 PolarHBondContact O-N 3.43Å; P219-F253 HydrophobicContact CB-CB 4.25Å; P219-F253 HydrophobicContact CB-CD1 3.87Å; P219-F253 HydrophobicContact CB-CG 4.42Å; P219-F253 HydrophobicContact CG-CB 4.36Å |
| 220 | F | 84.4 | Confident | 84.4 | Confident | 48 Ų | 48 | 42.6 Ų | 42.6 | 21% | 0.211 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.5 | -38.8 | 176.9 | -66 | -84 | 0 | 0 | 0 | 111.9 | M166 F173 T217 Q218 M223 K224 | M166-F220 HydrophobicContact CE-CD1 3.97Å; F173-F220 HydrophobicContact CD2-CD2 4.19Å; F173-F220 HydrophobicContact CD2-CE1 4.42Å; F173-F220 AromaticContact CD2-CE2 3.49Å; F173-F220 HydrophobicContact CD2-CE2 3.49Å; F173-F220 VanDerWaalsContact CD2-CE2 3.49Å; F173-F220 AromaticContact CD2-CZ 3.63Å; F173-F220 HydrophobicContact CD2-CZ 3.63Å; F173-F220 HydrophobicContact CE2-CE1 4.16Å; F173-F220 AromaticContact CE2-CE2 3.61Å; F173-F220 HydrophobicContact CE2-CE2 3.61Å; F173-F220 AromaticContact CE2-CZ 3.3Å; F173-F220 HydrophobicContact CE2-CZ 3.3Å; F173-F220 HydrophobicContact CG-CE2 4.03Å; F173-F220 HydrophobicContact CZ-CE2 4.19Å; F173-F220 AromaticContact CZ-CZ 3.98Å; F173-F220 HydrophobicContact CZ-CZ 3.98Å; T217-F220 WeakPolarHBondContact O-CB 3.46Å; T217-F220 PolarHBondContact O-N 3Å; T217-F220 VanDerWaalsContact O-N 3.14Å; Q218-F220 VanDerWaalsContact C-N 3.3Å; Q218-F220 PolarHBondContact O-N 3.1Å; F220-M223 HydrophobicContact CD1-CE 4.11Å; F220-M223 HydrophobicContact CG-CE 4.39Å; F220-K224 VanDerWaalsContact O-CB 3.24Å; F220-K224 WeakPolarHBondContact O-CB 3.28Å; F220-K224 PolarHBondContact O-N 3.18Å |
| 221 | D | 82.3 | Confident | 83.8 | Confident | 17 Ų | 17 | 46.6 Ų | 46.6 | 9% | 0.091 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67.1 | -41.4 | 179.1 | -74.3 | 7.3 | 0 | 0 | 0 | 111.6 | R170 T217 Q218 P219 T225 R263 | R170-D221 IonicContact CZ-OD1 3.51Å; R170-D221 IonicContact CZ-OD2 2.95Å; R170-D221 IonicContact NE-OD1 3.69Å; R170-D221 IonicContact NH1-OD1 2.85Å; R170-D221 PolarHBondContact NH1-OD1 2.89Å; R170-D221 IonicContact NH1-OD2 3.14Å; R170-D221 PolarHBondContact NH1-OD2 3.01Å; R170-D221 IonicContact NH2-OD1 3.27Å; R170-D221 IonicContact NH2-OD2 3.22Å; R170-D221 PolarHBondContact NH2-OD2 3.14Å; T217-D221 PolarHBondContact O-N 2.91Å; T217-D221 VanDerWaalsContact O-N 3.1Å; Q218-D221 PolarHBondContact O-N 2.92Å; Q218-D221 VanDerWaalsContact O-N 3.11Å; P219-D221 VanDerWaalsContact C-N 3.33Å; P219-D221 PolarHBondContact O-N 3.47Å; D221-T225 WeakPolarHBondContact O-CB 3.46Å; D221-T225 VanDerWaalsContact O-CG2 3.32Å; D221-T225 WeakPolarHBondContact O-CG2 3.34Å; D221-T225 PolarHBondContact O-N 3.26Å; D221-T225 PolarHBondContact O-OG1 2.99Å; D221-R263 IonicContact OD2-NH2 3.34Å |
| 222 | V | 83.4 | Confident | 82.9 | Confident | 13 Ų | 13 | 52 Ų | 52 | 8% | 0.079 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67.2 | -46.8 | 176 | 174.4 | 0 | 0 | 0 | 0 | 111.1 | Q218 P219 K224 T225 R226 L245 F253 K255 | Q218-V222 HydrophobicContact CG-CG2 4.46Å; Q218-V222 PolarHBondContact O-N 2.87Å; P219-V222 PolarHBondContact O-N 3.48Å; V222-K224 PolarHBondContact O-N 3.32Å; V222-T225 WeakPolarHBondContact CA-OG1 3.5Å; V222-T225 PolarHBondContact O-N 3.37Å; V222-T225 PolarHBondContact O-OG1 3.49Å; V222-R226 WeakPolarHBondContact O-CB 3.41Å; V222-R226 PolarHBondContact O-N 3.43Å; V222-L245 HydrophobicContact CG1-CD1 4.02Å; V222-L245 HydrophobicContact CG1-CD2 4.01Å; V222-F253 VanDerWaalsContact CG2-O 3.27Å; V222-F253 WeakPolarHBondContact CG2-O 3.32Å; V222-K255 WeakPolarHBondContact CG2-O 3.36Å |
| 223 | M | 84 | Confident | 82.2 | Confident | 21 Ų | 21 | 54.2 Ų | 54.2 | 10% | 0.103 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.8 | -46.9 | 177.6 | -73.7 | -175.9 | -70.6 | 0 | 0 | 111.4 | P219 F220 T225 R226 L227 L238 A242 L245 F253 | P219-M223 HydrophobicContact CB-CE 4.3Å; P219-M223 WeakPolarHBondContact O-CB 3.34Å; P219-M223 WeakPolarHBondContact O-CE 3.46Å; P219-M223 VanDerWaalsContact O-CG 3.3Å; P219-M223 WeakPolarHBondContact O-CG 3.48Å; P219-M223 PolarHBondContact O-N 3.43Å; F220-M223 HydrophobicContact CD1-CE 4.11Å; F220-M223 HydrophobicContact CG-CE 4.39Å; M223-T225 PolarHBondContact O-N 3.16Å; M223-R226 PolarHBondContact O-N 3Å; M223-L227 WeakPolarHBondContact O-CB 3.38Å; M223-L227 PolarHBondContact O-N 3.45Å; M223-L238 HydrophobicContact CB-CD2 3.95Å; M223-A242 HydrophobicContact SD-CB 3.63Å; M223-L245 HydrophobicContact CG-CD1 3.6Å; M223-F253 HydrophobicContact CG-CD1 4.46Å; M223-F253 HydrophobicContact CG-CE1 4.06Å; M223-F253 HydrophobicContact SD-CE1 4.03Å |
| 224 | K | 79.3 | Confident | 81.6 | Confident | 60 Ų | 60 | 60.1 Ų | 60.1 | 26% | 0.261 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -58.3 | -49.6 | 177.4 | -177.4 | 177.8 | -179.2 | 173.7 | 0 | 111.4 | M166 F220 V222 L227 M228 | M166-K224 HydrophobicContact CG-CB 4.49Å; M166-K224 HydrophobicContact CG-CD 3.91Å; M166-K224 HydrophobicContact CG-CG 4.21Å; M166-K224 HydrophobicContact SD-CB 3.84Å; M166-K224 HydrophobicContact SD-CD 4.38Å; M166-K224 HydrophobicContact SD-CG 4.11Å; F220-K224 VanDerWaalsContact O-CB 3.24Å; F220-K224 WeakPolarHBondContact O-CB 3.28Å; F220-K224 PolarHBondContact O-N 3.18Å; V222-K224 PolarHBondContact O-N 3.32Å; K224-L227 PolarHBondContact O-N 2.94Å; K224-M228 HydrophobicContact CD-SD 4.42Å; K224-M228 HydrophobicContact CG-CG 4.47Å; K224-M228 HydrophobicContact CG-SD 3.85Å; K224-M228 WeakPolarHBondContact O-CB 3.43Å; K224-M228 VanDerWaalsContact O-CG 3.22Å; K224-M228 WeakPolarHBondContact O-CG 3.47Å; K224-M228 PolarHBondContact O-N 3.2Å |
| 225 | T | 76.7 | Confident | 81.2 | Confident | 57 Ų | 57 | 61.3 Ų | 61.3 | 35% | 0.35 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -68.3 | -34.3 | -178 | 50.5 | 0 | 0 | 0 | 0 | 112.8 | D221 V222 M223 N229 | D221-T225 WeakPolarHBondContact O-CB 3.46Å; D221-T225 VanDerWaalsContact O-CG2 3.32Å; D221-T225 WeakPolarHBondContact O-CG2 3.34Å; D221-T225 PolarHBondContact O-N 3.26Å; D221-T225 PolarHBondContact O-OG1 2.99Å; V222-T225 WeakPolarHBondContact CA-OG1 3.5Å; V222-T225 PolarHBondContact O-N 3.37Å; V222-T225 PolarHBondContact O-OG1 3.49Å; M223-T225 PolarHBondContact O-N 3.16Å; T225-N229 WeakPolarHBondContact O-CB 3.41Å; T225-N229 PolarHBondContact O-N 2.92Å; T225-N229 PolarHBondContact O-ND2 3.11Å |
| 226 | R | 78.7 | Confident | 80.6 | Confident | 71 Ų | 71 | 61 Ų | 61 | 27% | 0.268 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -66.4 | -47.8 | 171.9 | -91.2 | -153.3 | 176.4 | -168.5 | 6.5 | 111.8 | V222 M223 M228 N229 A230 Y235 D244 | V222-R226 WeakPolarHBondContact O-CB 3.41Å; V222-R226 PolarHBondContact O-N 3.43Å; M223-R226 PolarHBondContact O-N 3Å; R226-M228 VanDerWaalsContact C-N 3.29Å; R226-M228 PolarHBondContact O-N 2.91Å; R226-N229 PolarHBondContact O-N 3.46Å; R226-A230 VanDerWaalsContact O-CB 3.3Å; R226-A230 WeakPolarHBondContact O-CB 3.4Å; R226-A230 PolarHBondContact O-N 3.1Å; R226-Y235 HydrophobicContact CB-CE2 4.36Å; R226-Y235 PolarHBondContact NH1-OH 3.14Å; R226-D244 IonicContact CZ-OD2 3.95Å; R226-D244 IonicContact NH1-OD2 2.65Å; R226-D244 PolarHBondContact NH1-OD2 3.19Å |
| 227 | L | 78.3 | Confident | 80 | Confident | 61 Ų | 61 | 62 Ų | 62 | 32% | 0.319 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -58.1 | -43.9 | 178.8 | -174 | 68.3 | 0 | 0 | 0 | 111.2 | M223 K224 N229 Y235 L238 | M223-L227 WeakPolarHBondContact O-CB 3.38Å; M223-L227 PolarHBondContact O-N 3.45Å; K224-L227 PolarHBondContact O-N 2.94Å; L227-N229 PolarHBondContact O-N 3.48Å; L227-Y235 HydrophobicContact CD1-CD2 4.41Å; L227-Y235 HydrophobicContact CD1-CG 4.44Å; L227-L238 HydrophobicContact CD2-CD2 4.17Å; L227-L238 HydrophobicContact CD2-CG 4.15Å |
| 228 | M | 71.5 | Confident | 79.6 | Confident | 137 Ų | 137 | 64.5 Ų | 64.5 | 68% | 0.675 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -70.3 | -27 | -179.9 | -70.2 | 179 | 75.3 | 0 | 0 | 114.3 | K224 R226 | K224-M228 HydrophobicContact CD-SD 4.42Å; K224-M228 HydrophobicContact CG-CG 4.47Å; K224-M228 HydrophobicContact CG-SD 3.85Å; K224-M228 WeakPolarHBondContact O-CB 3.43Å; K224-M228 VanDerWaalsContact O-CG 3.22Å; K224-M228 WeakPolarHBondContact O-CG 3.47Å; K224-M228 PolarHBondContact O-N 3.2Å; R226-M228 VanDerWaalsContact C-N 3.29Å; R226-M228 PolarHBondContact O-N 2.91Å |
| 229 | N | 72 | Confident | 79.4 | Confident | 126 Ų | 126 | 70 Ų | 70 | 67% | 0.674 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -101.5 | -2.9 | -178.8 | -69.8 | -48.9 | 0 | 0 | 0 | 113.3 | T225 R226 L227 | T225-N229 WeakPolarHBondContact O-CB 3.41Å; T225-N229 PolarHBondContact O-N 2.92Å; T225-N229 PolarHBondContact O-ND2 3.11Å; R226-N229 PolarHBondContact O-N 3.46Å; L227-N229 PolarHBondContact O-N 3.48Å |
| 230 | A | 75 | Confident | 79.4 | Confident | 25 Ų | 25 | 70.2 Ų | 70.2 | 21% | 0.207 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -72.7 | 147.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | R226 K234 Y235 | R226-A230 VanDerWaalsContact O-CB 3.3Å; R226-A230 WeakPolarHBondContact O-CB 3.4Å; R226-A230 PolarHBondContact O-N 3.1Å; A230-K234 HydrophobicContact CB-CB 4.15Å; A230-K234 HydrophobicContact CB-CD 4.39Å; A230-K234 HydrophobicContact CB-CG 4.49Å; A230-Y235 HydrophobicContact CB-CD2 3.4Å; A230-Y235 HydrophobicContact CB-CE2 3.55Å |
| 231 | P | 77.4 | Confident | 79.3 | Confident | 84 Ų | 84 | 67.9 Ų | 67.9 | 55% | 0.545 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -54.2 | 146.8 | 169.1 | -21.7 | 31.7 | 0 | 0 | 0 | 110.9 | G233 K234 | P231-G233 PolarHBondContact O-N 2.91Å; P231-K234 WeakPolarHBondContact O-CB 3.4Å; P231-K234 PolarHBondContact O-N 3.33Å |
| 232 | P | 75.7 | Confident | 79.6 | Confident | 140 Ų | 140 | 68.4 Ų | 68.4 | 91% | 0.909 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.6 | 126.8 | 175.5 | -23.1 | 31.7 | 0 | 0 | 0 | 110.7 | ||
| 233 | G | 76.9 | Confident | 79.8 | Confident | 81 Ų | 81 | 71.9 Ų | 71.9 | 84% | 0.835 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.2 | -5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | P231 | P231-G233 PolarHBondContact O-N 2.91Š|
| 234 | K | 81 | Confident | 79.9 | Confident | 124 Ų | 124 | 73.4 Ų | 73.4 | 54% | 0.539 | 43% | 0.427 | S | S | . | . | S | Bend | trans | -68.9 | -38.4 | 178.2 | 177 | 168.8 | -176.2 | 165.1 | 0 | 113.6 | A230 P231 | A230-K234 HydrophobicContact CB-CB 4.15Å; A230-K234 HydrophobicContact CB-CD 4.39Å; A230-K234 HydrophobicContact CB-CG 4.49Å; P231-K234 WeakPolarHBondContact O-CB 3.4Å; P231-K234 PolarHBondContact O-N 3.33Å |
| 235 | Y | 79.7 | Confident | 80.2 | Confident | 27 Ų | 27 | 70.6 Ų | 70.6 | 11% | 0.106 | 42% | 0.415 | C | S | . | . | trans | -123.8 | 128.6 | 175 | -57.6 | -62.4 | 0 | 0 | 0 | 108.3 | R226 L227 A230 D237 C241 D244 | R226-Y235 HydrophobicContact CB-CE2 4.36Å; R226-Y235 PolarHBondContact NH1-OH 3.14Å; L227-Y235 HydrophobicContact CD1-CD2 4.41Å; L227-Y235 HydrophobicContact CD1-CG 4.44Å; A230-Y235 HydrophobicContact CB-CD2 3.4Å; A230-Y235 HydrophobicContact CB-CE2 3.55Å; Y235-D237 VanDerWaalsContact C-N 3.33Å; Y235-C241 HydrophobicContact CD1-CB 4.01Å; Y235-C241 HydrophobicContact CD2-CB 4.39Å; Y235-C241 HydrophobicContact CE1-CB 4.32Å; Y235-C241 HydrophobicContact CG-CB 4.06Å; Y235-D244 HydrophobicContact CE1-CB 3.81Å; Y235-D244 PolarHBondContact OH-OD2 3.32Å | ||
| 236 | S | 78.8 | Confident | 80.7 | Confident | 111 Ų | 111 | 70.7 Ų | 70.7 | 78% | 0.776 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -74 | -29.9 | 174.4 | 41.9 | 0 | 0 | 0 | 0 | 111.8 | S240 | S236-S240 PolarHBondContact N-OG 2.79Å; S236-S240 PolarHBondContact OG-OG 3.42Å |
| 237 | D | 80.3 | Confident | 81.2 | Confident | 63 Ų | 63 | 73 Ų | 73 | 34% | 0.337 | 44% | 0.443 | S | S | . | . | S | Bend | trans | -167.2 | 176.2 | -165.8 | 64.3 | -27.9 | 0 | 0 | 0 | 111.6 | Y235 I239 S240 C241 | Y235-D237 VanDerWaalsContact C-N 3.33Å; D237-I239 VanDerWaalsContact C-N 3.27Å; D237-I239 PolarHBondContact O-N 3.05Å; D237-I239 WeakPolarHBondContact OD2-CB 3.24Å; D237-S240 PolarHBondContact N-OG 2.94Å; D237-S240 PolarHBondContact O-OG 3.31Å; D237-S240 WeakPolarHBondContact OD1-CB 3.39Å; D237-S240 PolarHBondContact OD1-N 2.88Å; D237-S240 PolarHBondContact OD1-OG 3.29Å; D237-C241 PolarHBondContact O-N 2.76Å |
| 238 | L | 79.9 | Confident | 81.5 | Confident | 56 Ų | 56 | 73.7 Ų | 73.7 | 29% | 0.293 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -65.1 | -31.1 | 176.9 | -81.4 | 159.7 | 0 | 0 | 0 | 112.6 | M166 M223 L227 C241 A242 | M166-L238 HydrophobicContact CE-CD1 3.63Å; M166-L238 HydrophobicContact CE-CD2 3.99Å; M166-L238 HydrophobicContact CE-CG 4.49Å; M166-L238 HydrophobicContact SD-CD1 3.69Å; M166-L238 HydrophobicContact SD-CD2 3.69Å; M166-L238 HydrophobicContact SD-CG 4.3Å; M223-L238 HydrophobicContact CB-CD2 3.95Å; L227-L238 HydrophobicContact CD2-CD2 4.17Å; L227-L238 HydrophobicContact CD2-CG 4.15Å; L238-C241 PolarHBondContact O-N 2.63Å; L238-A242 WeakPolarHBondContact O-CB 3.47Å; L238-A242 PolarHBondContact O-N 3.42Å |
| 239 | I | 85.3 | Confident | 82.1 | Confident | 120 Ų | 120 | 68.2 Ų | 68.2 | 62% | 0.615 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -72.8 | -44.6 | -177.5 | -56.1 | 174.4 | 0 | 0 | 0 | 109.9 | D237 C241 A242 V243 | D237-I239 VanDerWaalsContact C-N 3.27Å; D237-I239 PolarHBondContact O-N 3.05Å; D237-I239 WeakPolarHBondContact OD2-CB 3.24Å; I239-C241 VanDerWaalsContact C-N 3.25Å; I239-C241 PolarHBondContact O-N 2.95Å; I239-A242 WeakPolarHBondContact O-CA 3.48Å; I239-A242 WeakPolarHBondContact O-CB 3.42Å; I239-A242 PolarHBondContact O-N 3.22Å; I239-V243 HydrophobicContact CG2-CG2 4.37Å; I239-V243 WeakPolarHBondContact O-CG2 3.23Å; I239-V243 PolarHBondContact O-N 3.44Å |
| 240 | S | 86.4 | Confident | 82.6 | Confident | 32 Ų | 32 | 66.8 Ų | 66.8 | 22% | 0.224 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -57.6 | -39.6 | 172.2 | 53.4 | 0 | 0 | 0 | 0 | 112.2 | S236 D237 V243 D244 | S236-S240 PolarHBondContact N-OG 2.79Å; S236-S240 PolarHBondContact OG-OG 3.42Å; D237-S240 PolarHBondContact N-OG 2.94Å; D237-S240 PolarHBondContact O-OG 3.31Å; D237-S240 WeakPolarHBondContact OD1-CB 3.39Å; D237-S240 PolarHBondContact OD1-N 2.88Å; D237-S240 PolarHBondContact OD1-OG 3.29Å; S240-V243 PolarHBondContact O-N 3.28Å; S240-D244 WeakPolarHBondContact O-CB 3.35Å; S240-D244 PolarHBondContact O-N 2.66Å |
| 241 | C | 84 | Confident | 83.1 | Confident | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -64.9 | -38.4 | 173.1 | -174.5 | 0 | 0 | 0 | 0 | 112.7 | Y235 D237 L238 I239 L245 | Y235-C241 HydrophobicContact CD1-CB 4.01Å; Y235-C241 HydrophobicContact CD2-CB 4.39Å; Y235-C241 HydrophobicContact CE1-CB 4.32Å; Y235-C241 HydrophobicContact CG-CB 4.06Å; D237-C241 PolarHBondContact O-N 2.76Å; L238-C241 PolarHBondContact O-N 2.63Å; I239-C241 VanDerWaalsContact C-N 3.25Å; I239-C241 PolarHBondContact O-N 2.95Å; C241-L245 WeakPolarHBondContact O-CB 3.28Å; C241-L245 WeakPolarHBondContact O-CD1 3.47Å; C241-L245 WeakPolarHBondContact O-CG 3.27Å; C241-L245 PolarHBondContact O-N 3.07Å |
| 242 | A | 87 | Confident | 83.3 | Confident | 27 Ų | 27 | 68.9 Ų | 68.9 | 22% | 0.223 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -65.7 | -44.4 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | M223 L238 I239 L245 A246 F253 | M223-A242 HydrophobicContact SD-CB 3.63Å; L238-A242 WeakPolarHBondContact O-CB 3.47Å; L238-A242 PolarHBondContact O-N 3.42Å; I239-A242 WeakPolarHBondContact O-CA 3.48Å; I239-A242 WeakPolarHBondContact O-CB 3.42Å; I239-A242 PolarHBondContact O-N 3.22Å; A242-L245 PolarHBondContact O-N 3.37Å; A242-A246 WeakPolarHBondContact O-CB 3.47Å; A242-A246 PolarHBondContact O-N 3.42Å; A242-F253 WeakPolarHBondContact O-CZ 3.46Å |
| 243 | V | 88.1 | Confident | 83.7 | Confident | 86 Ų | 86 | 63.8 Ų | 63.8 | 52% | 0.521 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62.6 | -47.3 | 177.7 | 174.3 | 0 | 0 | 0 | 0 | 110.3 | I239 S240 L245 A246 V247 | I239-V243 HydrophobicContact CG2-CG2 4.37Å; I239-V243 WeakPolarHBondContact O-CG2 3.23Å; I239-V243 PolarHBondContact O-N 3.44Å; S240-V243 PolarHBondContact O-N 3.28Å; V243-L245 VanDerWaalsContact C-N 3.3Å; V243-L245 PolarHBondContact O-N 2.71Å; V243-A246 WeakPolarHBondContact O-CB 3.42Å; V243-A246 PolarHBondContact O-N 3.02Å; V243-A246 VanDerWaalsContact O-N 3.13Å; V243-V247 WeakPolarHBondContact O-CG2 3.43Å; V243-V247 PolarHBondContact O-N 3.22Å |
| 244 | D | 86.6 | Confident | 84.2 | Confident | 54 Ų | 54 | 63 Ų | 63 | 29% | 0.289 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -59.1 | -40.2 | 176.5 | 179.3 | 73.3 | 0 | 0 | 0 | 112.6 | R226 Y235 S240 V247 T248 | R226-D244 IonicContact CZ-OD2 3.95Å; R226-D244 IonicContact NH1-OD2 2.65Å; R226-D244 PolarHBondContact NH1-OD2 3.19Å; Y235-D244 HydrophobicContact CE1-CB 3.81Å; Y235-D244 PolarHBondContact OH-OD2 3.32Å; S240-D244 WeakPolarHBondContact O-CB 3.35Å; S240-D244 PolarHBondContact O-N 2.66Å; D244-V247 PolarHBondContact O-N 3.38Å; D244-T248 WeakPolarHBondContact O-CB 3.36Å; D244-T248 PolarHBondContact O-N 2.89Å; D244-T248 PolarHBondContact O-OG1 3.15Å |
| 245 | L | 85.5 | Confident | 84 | Confident | 1 Ų | 1 | 63.4 Ų | 63.4 | 1% | 0.005 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -65.9 | -40.7 | 174.9 | -80.8 | 164.9 | 0 | 0 | 0 | 112.4 | V222 M223 C241 A242 V243 V247 T248 G249 F253 | V222-L245 HydrophobicContact CG1-CD1 4.02Å; V222-L245 HydrophobicContact CG1-CD2 4.01Å; M223-L245 HydrophobicContact CG-CD1 3.6Å; C241-L245 WeakPolarHBondContact O-CB 3.28Å; C241-L245 WeakPolarHBondContact O-CD1 3.47Å; C241-L245 WeakPolarHBondContact O-CG 3.27Å; C241-L245 PolarHBondContact O-N 3.07Å; A242-L245 PolarHBondContact O-N 3.37Å; V243-L245 VanDerWaalsContact C-N 3.3Å; V243-L245 PolarHBondContact O-N 2.71Å; L245-V247 VanDerWaalsContact C-N 3.32Å; L245-T248 PolarHBondContact O-N 2.85Å; L245-G249 CarbonylContact O-C 3.53Å; L245-G249 PolarHBondContact O-N 2.97Å; L245-G249 VanDerWaalsContact O-N 3.1Å; L245-F253 HydrophobicContact CB-CD1 4.27Å; L245-F253 HydrophobicContact CB-CD2 4.29Å; L245-F253 HydrophobicContact CB-CE1 3.69Å; L245-F253 HydrophobicContact CB-CE2 3.7Å; L245-F253 HydrophobicContact CB-CZ 3.38Å; L245-F253 HydrophobicContact CD1-CD1 3.94Å; L245-F253 HydrophobicContact CD1-CE1 3.65Å; L245-F253 HydrophobicContact CD1-CZ 4.25Å; L245-F253 HydrophobicContact CG-CE1 4.31Å; L245-F253 HydrophobicContact CG-CZ 4.45Å |
| 246 | A | 87.3 | Confident | 83.9 | Confident | 58 Ų | 58 | 63.9 Ų | 63.9 | 48% | 0.479 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.6 | -41.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | A242 V243 G249 F253 | A242-A246 WeakPolarHBondContact O-CB 3.47Å; A242-A246 PolarHBondContact O-N 3.42Å; V243-A246 WeakPolarHBondContact O-CB 3.42Å; V243-A246 PolarHBondContact O-N 3.02Å; V243-A246 VanDerWaalsContact O-N 3.13Å; A246-G249 PolarHBondContact O-N 3.3Å; A246-F253 HydrophobicContact CB-CE2 4.3Å |
| 247 | V | 88.4 | Confident | 84.1 | Confident | 119 Ų | 119 | 61.3 Ų | 61.3 | 72% | 0.721 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -68.1 | -40.6 | 176.6 | 174.5 | 0 | 0 | 0 | 0 | 112 | V243 D244 L245 G249 | V243-V247 WeakPolarHBondContact O-CG2 3.43Å; V243-V247 PolarHBondContact O-N 3.22Å; D244-V247 PolarHBondContact O-N 3.38Å; L245-V247 VanDerWaalsContact C-N 3.32Å; V247-G249 PolarHBondContact O-N 3.4Å |
| 248 | T | 84 | Confident | 84.2 | Confident | 77 Ų | 77 | 64.2 Ų | 64.2 | 47% | 0.472 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64.7 | -23.1 | 175.4 | -51.2 | 0 | 0 | 0 | 0 | 112 | D244 L245 | D244-T248 WeakPolarHBondContact O-CB 3.36Å; D244-T248 PolarHBondContact O-N 2.89Å; D244-T248 PolarHBondContact O-OG1 3.15Å; L245-T248 PolarHBondContact O-N 2.85Å |
| 249 | G | 85.5 | Confident | 84 | Confident | 21 Ų | 21 | 65.7 Ų | 65.7 | 22% | 0.216 | 39% | 0.385 | C | S | . | . | trans | 125.5 | 140.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | L245 A246 V247 L251 S252 | L245-G249 CarbonylContact O-C 3.53Å; L245-G249 PolarHBondContact O-N 2.97Å; L245-G249 VanDerWaalsContact O-N 3.1Å; A246-G249 PolarHBondContact O-N 3.3Å; V247-G249 PolarHBondContact O-N 3.4Å; G249-L251 PolarHBondContact O-N 3.47Å; G249-L251 VanDerWaalsContact O-N 3.12Å; G249-S252 WeakPolarHBondContact O-CB 3.38Å; G249-S252 PolarHBondContact O-N 2.88Å; G249-S252 PolarHBondContact O-OG 3.39Å | ||
| 250 | P | 82 | Confident | 83.8 | Confident | 96 Ų | 96 | 60.9 Ų | 60.9 | 62% | 0.623 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -62.5 | -26.6 | -170.2 | 23 | -33.7 | 0 | 0 | 0 | 114 | S252 F253 | P250-S252 PolarHBondContact O-N 3.41Å; P250-F253 WeakPolarHBondContact O-CD2 3.02Å; P250-F253 PolarHBondContact O-N 3.39Å |
| 251 | L | 85.9 | Confident | 83.8 | Confident | 145 Ų | 145 | 62.9 Ų | 62.9 | 76% | 0.759 | 37% | 0.368 | S | S | * | . | G | 310 helix | trans | -63.7 | -19 | 173.9 | -72.6 | 164.3 | 0 | 0 | 0 | 112.9 | G249 F253 F254 K255 | G249-L251 PolarHBondContact O-N 3.47Å; G249-L251 VanDerWaalsContact O-N 3.12Å; L251-F253 PolarHBondContact O-N 2.97Å; L251-F254 PolarHBondContact O-N 3.45Å; L251-F254 VanDerWaalsContact O-N 3.08Å; L251-K255 PolarHBondContact O-N 3.35Å |
| 252 | S | 81.1 | Confident | 83.8 | Confident | 8 Ų | 8 | 67.7 Ų | 67.7 | 6% | 0.056 | 39% | 0.392 | C | S | . | . | G | 310 helix | trans | -62.2 | -31.1 | 175.8 | -65.5 | 0 | 0 | 0 | 0 | 112.4 | G249 P250 F254 K255 | G249-S252 WeakPolarHBondContact O-CB 3.38Å; G249-S252 PolarHBondContact O-N 2.88Å; G249-S252 PolarHBondContact O-OG 3.39Å; P250-S252 PolarHBondContact O-N 3.41Å; S252-F254 PolarHBondContact O-N 3.02Å; S252-K255 PolarHBondContact O-N 3.23Å |
| 253 | F | 84.8 | Confident | 83.3 | Confident | 34 Ų | 34 | 69.3 Ų | 69.3 | 15% | 0.149 | 39% | 0.392 | C | S | . | . | G | 310 helix | trans | -66.6 | -21 | 175.5 | -70.8 | -79.9 | 0 | 0 | 0 | 113.4 | Q218 P219 V222 M223 A242 L245 A246 P250 L251 | Q218-F253 WeakPolarHBondContact CG-O 3.5Å; P219-F253 HydrophobicContact CB-CB 4.25Å; P219-F253 HydrophobicContact CB-CD1 3.87Å; P219-F253 HydrophobicContact CB-CG 4.42Å; P219-F253 HydrophobicContact CG-CB 4.36Å; V222-F253 VanDerWaalsContact CG2-O 3.27Å; V222-F253 WeakPolarHBondContact CG2-O 3.32Å; M223-F253 HydrophobicContact CG-CD1 4.46Å; M223-F253 HydrophobicContact CG-CE1 4.06Å; M223-F253 HydrophobicContact SD-CE1 4.03Å; A242-F253 WeakPolarHBondContact O-CZ 3.46Å; L245-F253 HydrophobicContact CB-CD1 4.27Å; L245-F253 HydrophobicContact CB-CD2 4.29Å; L245-F253 HydrophobicContact CB-CE1 3.69Å; L245-F253 HydrophobicContact CB-CE2 3.7Å; L245-F253 HydrophobicContact CB-CZ 3.38Å; L245-F253 HydrophobicContact CD1-CD1 3.94Å; L245-F253 HydrophobicContact CD1-CE1 3.65Å; L245-F253 HydrophobicContact CD1-CZ 4.25Å; L245-F253 HydrophobicContact CG-CE1 4.31Å; L245-F253 HydrophobicContact CG-CZ 4.45Å; A246-F253 HydrophobicContact CB-CE2 4.3Å; P250-F253 WeakPolarHBondContact O-CD2 3.02Å; P250-F253 PolarHBondContact O-N 3.39Å; L251-F253 PolarHBondContact O-N 2.97Å |
| 254 | F | 86.7 | Confident | 83 | Confident | 64 Ų | 64 | 65.6 Ų | 65.6 | 28% | 0.281 | 37% | 0.369 | S | S | . | . | G | 310 helix | trans | -103.8 | 7 | -178.4 | -63.3 | -81.8 | 0 | 0 | 0 | 113.2 | F215 Q218 L251 S252 G256 L257 | F215-F254 HydrophobicContact CD1-CE1 4.2Å; F215-F254 HydrophobicContact CD2-CD1 4.14Å; F215-F254 AromaticContact CD2-CE1 3.75Å; F215-F254 HydrophobicContact CD2-CE1 3.75Å; F215-F254 AromaticContact CE1-CE1 3.89Å; F215-F254 HydrophobicContact CE1-CE1 3.89Å; F215-F254 HydrophobicContact CE1-CZ 4.03Å; F215-F254 AromaticContact CE2-CD1 3.86Å; F215-F254 HydrophobicContact CE2-CD1 3.86Å; F215-F254 AromaticContact CE2-CE1 3.4Å; F215-F254 HydrophobicContact CE2-CE1 3.4Å; F215-F254 VanDerWaalsContact CE2-CE1 3.4Å; F215-F254 HydrophobicContact CE2-CZ 4.02Å; F215-F254 HydrophobicContact CG-CE1 4.14Å; F215-F254 HydrophobicContact CZ-CD1 4.34Å; F215-F254 AromaticContact CZ-CE1 3.48Å; F215-F254 HydrophobicContact CZ-CE1 3.48Å; F215-F254 VanDerWaalsContact CZ-CE1 3.48Å; F215-F254 AromaticContact CZ-CZ 3.64Å; F215-F254 HydrophobicContact CZ-CZ 3.64Å; Q218-F254 HydrophobicContact CB-CD1 4.36Å; Q218-F254 HydrophobicContact CG-CD1 4.35Å; L251-F254 PolarHBondContact O-N 3.45Å; L251-F254 VanDerWaalsContact O-N 3.08Å; S252-F254 PolarHBondContact O-N 3.02Å; F254-G256 PolarHBondContact O-N 3.47Å; F254-L257 HydrophobicContact CD1-CD1 4.46Å; F254-L257 WeakPolarHBondContact O-CB 3.47Å; F254-L257 PolarHBondContact O-N 3.36Å |
| 255 | K | 77 | Confident | 83 | Confident | 132 Ų | 132 | 63.5 Ų | 63.5 | 57% | 0.574 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | 124.7 | 174 | -78.9 | 179.6 | 176.5 | 170.7 | 0 | 110.3 | Q218 V222 L251 S252 | Q218-K255 PolarHBondContact NE2-O 3.4Å; V222-K255 WeakPolarHBondContact CG2-O 3.36Å; L251-K255 PolarHBondContact O-N 3.35Å; S252-K255 PolarHBondContact O-N 3.23Å |
| 256 | G | 77.5 | Confident | 83.1 | Confident | 38 Ų | 38 | 65.8 Ų | 65.8 | 39% | 0.392 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.7 | 14.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q218 F254 I258 P259 S260 | Q218-G256 VanDerWaalsContact NE2-C 3.31Å; F254-G256 PolarHBondContact O-N 3.47Å; G256-I258 VanDerWaalsContact C-N 3.35Å; G256-I258 PolarHBondContact O-N 2.9Å; G256-P259 VanDerWaalsContact O-CD 3.28Å; G256-P259 WeakPolarHBondContact O-CD 3.35Å; G256-S260 PolarHBondContact O-N 2.95Å; G256-S260 PolarHBondContact O-OG 2.89Å |
| 257 | L | 82.4 | Confident | 83.2 | Confident | 56 Ų | 56 | 64 Ų | 64 | 29% | 0.293 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -55.4 | -45.8 | 179.7 | -172.3 | 72.7 | 0 | 0 | 0 | 112.8 | T214 F215 Q218 F254 S260 F261 | T214-L257 HydrophobicContact CG2-CD1 3.79Å; F215-L257 HydrophobicContact CD2-CD2 4.42Å; Q218-L257 HydrophobicContact CB-CD1 3.92Å; Q218-L257 HydrophobicContact CG-CD1 3.88Å; F254-L257 HydrophobicContact CD1-CD1 4.46Å; F254-L257 WeakPolarHBondContact O-CB 3.47Å; F254-L257 PolarHBondContact O-N 3.36Å; L257-S260 WeakPolarHBondContact O-CB 3.28Å; L257-S260 PolarHBondContact O-N 3.42Å; L257-F261 PolarHBondContact O-N 2.96Å |
| 258 | I | 82.1 | Confident | 83.2 | Confident | 124 Ų | 124 | 58.3 Ų | 58.3 | 64% | 0.636 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -61.6 | -52.9 | -179.9 | -64.1 | 170.8 | 0 | 0 | 0 | 111.3 | G256 S260 F261 I262 | G256-I258 VanDerWaalsContact C-N 3.35Å; G256-I258 PolarHBondContact O-N 2.9Å; I258-S260 VanDerWaalsContact C-N 3.27Å; I258-S260 PolarHBondContact O-N 2.87Å; I258-F261 PolarHBondContact O-N 3.31Å; I258-F261 VanDerWaalsContact O-N 3.14Å; I258-I262 HydrophobicContact CG2-CD1 3.71Å; I258-I262 HydrophobicContact CG2-CG1 4.32Å; I258-I262 WeakPolarHBondContact O-CG1 3.45Å; I258-I262 PolarHBondContact O-N 3.08Å |
| 259 | P | 76.7 | Confident | 83.4 | Confident | 87 Ų | 87 | 55.8 Ų | 55.8 | 57% | 0.565 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -54 | -39.8 | 172 | -28 | 31.1 | 0 | 0 | 0 | 114.3 | G256 R263 | G256-P259 VanDerWaalsContact O-CD 3.28Å; G256-P259 WeakPolarHBondContact O-CD 3.35Å; P259-R263 WeakPolarHBondContact O-CB 3.4Å; P259-R263 PolarHBondContact O-N 3.29Å |
| 260 | S | 81.8 | Confident | 83.7 | Confident | 19 Ų | 19 | 57.2 Ų | 57.2 | 13% | 0.133 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.6 | -41.1 | 177.1 | -67.4 | 0 | 0 | 0 | 0 | 112.1 | Q218 G256 L257 I258 R263 L264 | Q218-S260 PolarHBondContact OE1-OG 3.03Å; G256-S260 PolarHBondContact O-N 2.95Å; G256-S260 PolarHBondContact O-OG 2.89Å; L257-S260 WeakPolarHBondContact O-CB 3.28Å; L257-S260 PolarHBondContact O-N 3.42Å; I258-S260 VanDerWaalsContact C-N 3.27Å; I258-S260 PolarHBondContact O-N 2.87Å; S260-R263 PolarHBondContact O-N 2.79Å; S260-L264 WeakPolarHBondContact O-CB 3.37Å; S260-L264 PolarHBondContact O-N 2.78Å |
| 261 | F | 85.7 | Confident | 84.1 | Confident | 75 Ų | 75 | 52.8 Ų | 52.8 | 33% | 0.329 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -67.5 | -49.7 | 177.9 | 176.9 | -101 | 0 | 0 | 0 | 111.9 | A210 T214 L257 I258 R263 L264 A265 | A210-F261 HydrophobicContact CB-CE2 4.31Å; T214-F261 HydrophobicContact CG2-CB 4.14Å; L257-F261 PolarHBondContact O-N 2.96Å; I258-F261 PolarHBondContact O-N 3.31Å; I258-F261 VanDerWaalsContact O-N 3.14Å; F261-R263 PolarHBondContact O-N 3.24Å; F261-R263 VanDerWaalsContact O-N 3.1Å; F261-L264 PolarHBondContact O-N 3.17Å; F261-A265 HydrophobicContact CD1-CB 4.45Å; F261-A265 HydrophobicContact CD2-CB 4.34Å; F261-A265 HydrophobicContact CE1-CB 4.05Å; F261-A265 HydrophobicContact CE2-CB 3.93Å; F261-A265 HydrophobicContact CZ-CB 3.77Å; F261-A265 WeakPolarHBondContact O-CB 3.47Å; F261-A265 PolarHBondContact O-N 3.49Å |
| 262 | I | 82.8 | Confident | 84.2 | Confident | 100 Ų | 100 | 46.1 Ų | 46.1 | 51% | 0.513 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -56.6 | -31.2 | 178.1 | -69.1 | 172.1 | 0 | 0 | 0 | 111 | I258 P266 | I258-I262 HydrophobicContact CG2-CD1 3.71Å; I258-I262 HydrophobicContact CG2-CG1 4.32Å; I258-I262 WeakPolarHBondContact O-CG1 3.45Å; I258-I262 PolarHBondContact O-N 3.08Å; I262-P266 WeakPolarHBondContact O-CD 3.32Å; I262-P266 WeakPolarHBondContact O-CG 3.4Å |
| 263 | R | 76.6 | Confident | 84.5 | Confident | 62 Ų | 62 | 47.8 Ų | 47.8 | 23% | 0.234 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -75.3 | -46.9 | 173.3 | 179.6 | -176.7 | 68.8 | 96.6 | 0.9 | 112.9 | K35 D221 P259 S260 F261 | K35-R263 VanDerWaalsContact CD-CD 3.45Å; D221-R263 IonicContact OD2-NH2 3.34Å; P259-R263 WeakPolarHBondContact O-CB 3.4Å; P259-R263 PolarHBondContact O-N 3.29Å; S260-R263 PolarHBondContact O-N 2.79Å; F261-R263 PolarHBondContact O-N 3.24Å; F261-R263 VanDerWaalsContact O-N 3.1Å |
| 264 | L | 83.3 | Confident | 84.8 | Confident | 7 Ų | 7 | 48.2 Ų | 48.2 | 4% | 0.037 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -75.4 | -37.1 | -171.4 | -176 | 57.9 | 0 | 0 | 0 | 112.2 | M174 A210 A213 T214 S260 F261 T268 | M174-L264 HydrophobicContact CE-CD1 3.31Å; M174-L264 HydrophobicContact SD-CD1 4.48Å; A210-L264 HydrophobicContact CB-CG 4.41Å; A213-L264 HydrophobicContact CB-CD2 3.8Å; T214-L264 WeakPolarHBondContact OG1-CD2 3.16Å; S260-L264 WeakPolarHBondContact O-CB 3.37Å; S260-L264 PolarHBondContact O-N 2.78Å; F261-L264 PolarHBondContact O-N 3.17Å; L264-T268 WeakPolarHBondContact O-CB 3.3Å; L264-T268 PolarHBondContact O-N 2.61Å; L264-T268 PolarHBondContact O-OG1 3.31Å |
| 265 | A | 86.6 | Confident | 84.9 | Confident | 11 Ų | 11 | 45.7 Ų | 45.7 | 9% | 0.091 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.4 | -51.3 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113 | A210 F261 H267 T268 V269 | A210-A265 HydrophobicContact CB-CB 4.11Å; F261-A265 HydrophobicContact CD1-CB 4.45Å; F261-A265 HydrophobicContact CD2-CB 4.34Å; F261-A265 HydrophobicContact CE1-CB 4.05Å; F261-A265 HydrophobicContact CE2-CB 3.93Å; F261-A265 HydrophobicContact CZ-CB 3.77Å; F261-A265 WeakPolarHBondContact O-CB 3.47Å; F261-A265 PolarHBondContact O-N 3.49Å; A265-H267 PolarHBondContact O-N 2.94Å; A265-T268 PolarHBondContact O-N 3.03Å; A265-T268 VanDerWaalsContact O-N 3.11Å; A265-V269 WeakPolarHBondContact O-CB 3.22Å; A265-V269 VanDerWaalsContact O-CG2 3.27Å; A265-V269 WeakPolarHBondContact O-CG2 3.32Å; A265-V269 PolarHBondContact O-N 3.42Å |
| 266 | P | 87.7 | Confident | 85.3 | Confident | 49 Ų | 49 | 40.5 Ų | 40.5 | 32% | 0.318 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -59.7 | -44.9 | -178.9 | -23.9 | 34.4 | 0 | 0 | 0 | 112.6 | I262 T268 V269 L270 | I262-P266 WeakPolarHBondContact O-CD 3.32Å; I262-P266 WeakPolarHBondContact O-CG 3.4Å; P266-T268 VanDerWaalsContact C-N 3.33Å; P266-T268 PolarHBondContact O-N 2.88Å; P266-V269 PolarHBondContact O-N 3.01Å; P266-L270 WeakPolarHBondContact O-CB 3.3Å; P266-L270 VanDerWaalsContact O-CG 3.31Å; P266-L270 WeakPolarHBondContact O-CG 3.45Å; P266-L270 PolarHBondContact O-N 2.9Å |
| 267 | H | 88.3 | Confident | 85.8 | Confident | 19 Ų | 19 | 42.8 Ų | 42.8 | 9% | 0.088 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.4 | -42.5 | 177 | -178.9 | -65.4 | 0 | 0 | 0 | 111.3 | T28 Q75 A265 T271 | T28-H267 HydrophobicContact CG2-CB 4.28Å; Q75-H267 PolarHBondContact NE2-NE2 2.99Å; A265-H267 PolarHBondContact O-N 2.94Å; H267-T271 PolarHBondContact CE1-OG1 3.18Å; H267-T271 PolarHBondContact ND1-OG1 3.47Å; H267-T271 WeakPolarHBondContact O-CB 3.35Å; H267-T271 PolarHBondContact O-N 3.4Å; H267-T271 PolarHBondContact O-OG1 2.92Å |
| 268 | T | 88.5 | Confident | 86.1 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66 | -46.7 | -179.3 | -54.6 | 0 | 0 | 0 | 0 | 111.1 | Q178 A210 L264 A265 P266 T271 F272 | Q178-T268 HydrophobicContact CG-CG2 4.3Å; Q178-T268 PolarHBondContact NE2-OG1 3.08Å; A210-T268 HydrophobicContact CB-CG2 4.09Å; L264-T268 WeakPolarHBondContact O-CB 3.3Å; L264-T268 PolarHBondContact O-N 2.61Å; L264-T268 PolarHBondContact O-OG1 3.31Å; A265-T268 PolarHBondContact O-N 3.03Å; A265-T268 VanDerWaalsContact O-N 3.11Å; P266-T268 VanDerWaalsContact C-N 3.33Å; P266-T268 PolarHBondContact O-N 2.88Å; T268-T271 PolarHBondContact O-N 2.87Å; T268-F272 HydrophobicContact CG2-CD2 3.7Å; T268-F272 HydrophobicContact CG2-CE2 3.65Å; T268-F272 VanDerWaalsContact O-CD2 3.29Å; T268-F272 WeakPolarHBondContact O-CD2 3.32Å; T268-F272 PolarHBondContact O-N 3.17Å |
| 269 | V | 89.3 | Confident | 86.3 | Confident | 24 Ų | 24 | 36.9 Ų | 36.9 | 15% | 0.145 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.3 | -51.4 | 176.5 | 172.9 | 0 | 0 | 0 | 0 | 110.1 | L203 S206 A265 P266 T271 F272 V273 | L203-V269 HydrophobicContact CG-CG1 4.29Å; S206-V269 WeakPolarHBondContact OG-CG2 3.42Å; A265-V269 WeakPolarHBondContact O-CB 3.22Å; A265-V269 VanDerWaalsContact O-CG2 3.27Å; A265-V269 WeakPolarHBondContact O-CG2 3.32Å; A265-V269 PolarHBondContact O-N 3.42Å; P266-V269 PolarHBondContact O-N 3.01Å; V269-T271 VanDerWaalsContact C-N 3.33Å; V269-T271 PolarHBondContact O-N 3.48Å; V269-F272 PolarHBondContact O-N 3.23Å; V269-V273 HydrophobicContact CG1-CG2 4.22Å; V269-V273 WeakPolarHBondContact O-CB 3.43Å; V269-V273 VanDerWaalsContact O-CG2 3.24Å; V269-V273 WeakPolarHBondContact O-CG2 3.42Å; V269-V273 PolarHBondContact O-N 3.05Å |
| 270 | L | 90.9 | Very high | 86.6 | Confident | 52 Ų | 52 | 37 Ų | 37 | 27% | 0.272 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -61.4 | -40.6 | 178.8 | -72.3 | 171.4 | 0 | 0 | 0 | 112.2 | A24 C27 T28 P266 V273 F274 | A24-L270 HydrophobicContact CB-CB 3.76Å; C27-L270 HydrophobicContact CB-CD1 3.96Å; T28-L270 HydrophobicContact CG2-CD1 3.65Å; P266-L270 WeakPolarHBondContact O-CB 3.3Å; P266-L270 VanDerWaalsContact O-CG 3.31Å; P266-L270 WeakPolarHBondContact O-CG 3.45Å; P266-L270 PolarHBondContact O-N 2.9Å; L270-V273 PolarHBondContact O-N 3.32Å; L270-F274 HydrophobicContact CB-CD2 4.35Å; L270-F274 HydrophobicContact CB-CE2 4.06Å; L270-F274 HydrophobicContact CD2-CE2 4.24Å; L270-F274 HydrophobicContact CD2-CZ 4.06Å; L270-F274 VanDerWaalsContact O-CB 3.32Å; L270-F274 WeakPolarHBondContact O-CB 3.27Å; L270-F274 WeakPolarHBondContact O-CD2 3.13Å; L270-F274 WeakPolarHBondContact O-CG 3.41Å; L270-F274 PolarHBondContact O-N 2.9Å |
| 271 | T | 90.5 | Very high | 86.9 | Confident | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.012 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.3 | -49.3 | 178.2 | -60 | 0 | 0 | 0 | 0 | 111 | A20 S21 A24 F83 H267 T268 V269 L275 | A20-T271 HydrophobicContact CB-CG2 4.49Å; A20-T271 WeakPolarHBondContact CB-O 3.47Å; S21-T271 VanDerWaalsContact OG-CG2 3.28Å; S21-T271 WeakPolarHBondContact OG-CG2 3.47Å; A24-T271 WeakPolarHBondContact CB-OG1 3.43Å; F83-T271 HydrophobicContact CE2-CG2 4.09Å; F83-T271 HydrophobicContact CZ-CG2 4.11Å; H267-T271 PolarHBondContact CE1-OG1 3.18Å; H267-T271 PolarHBondContact ND1-OG1 3.47Å; H267-T271 WeakPolarHBondContact O-CB 3.35Å; H267-T271 PolarHBondContact O-N 3.4Å; H267-T271 PolarHBondContact O-OG1 2.92Å; T268-T271 PolarHBondContact O-N 2.87Å; V269-T271 VanDerWaalsContact C-N 3.33Å; V269-T271 PolarHBondContact O-N 3.48Å; T271-L275 WeakPolarHBondContact O-CB 3.39Å; T271-L275 PolarHBondContact O-N 3.21Å |
| 272 | F | 87.5 | Confident | 87 | Confident | 6 Ų | 6 | 43.1 Ų | 43.1 | 3% | 0.026 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -72.7 | -37.2 | -178.5 | -76.8 | -67.9 | 0 | 0 | 0 | 112.4 | F83 Q178 Y182 T268 V269 L275 E276 | F83-F272 HydrophobicContact CE1-CE1 4.25Å; F83-F272 HydrophobicContact CZ-CE1 4.28Å; F83-F272 HydrophobicContact CZ-CZ 4.47Å; Q178-F272 WeakPolarHBondContact O-CZ 3.36Å; Y182-F272 AromaticContact CD1-CD1 3.83Å; Y182-F272 HydrophobicContact CD1-CD1 3.83Å; Y182-F272 AromaticContact CD1-CE1 3.46Å; Y182-F272 HydrophobicContact CD1-CE1 3.46Å; Y182-F272 VanDerWaalsContact CD1-CE1 3.46Å; Y182-F272 AromaticContact CD1-CZ 3.94Å; Y182-F272 HydrophobicContact CD1-CZ 3.94Å; Y182-F272 HydrophobicContact CD2-CD1 4.04Å; Y182-F272 HydrophobicContact CD2-CD2 4.02Å; Y182-F272 HydrophobicContact CD2-CE1 4.14Å; Y182-F272 HydrophobicContact CD2-CE2 4.11Å; Y182-F272 AromaticContact CD2-CG 3.99Å; Y182-F272 HydrophobicContact CD2-CG 3.99Å; Y182-F272 HydrophobicContact CD2-CZ 4.17Å; Y182-F272 AromaticContact CE1-CD1 3.63Å; Y182-F272 HydrophobicContact CE1-CD1 3.63Å; Y182-F272 AromaticContact CE1-CE1 3.73Å; Y182-F272 HydrophobicContact CE1-CE1 3.73Å; Y182-F272 HydrophobicContact CE1-CG 4.42Å; Y182-F272 HydrophobicContact CE2-CB 4.06Å; Y182-F272 AromaticContact CE2-CD1 3.86Å; Y182-F272 HydrophobicContact CE2-CD1 3.86Å; Y182-F272 HydrophobicContact CE2-CD2 4.27Å; Y182-F272 HydrophobicContact CE2-CE1 4.37Å; Y182-F272 AromaticContact CE2-CG 3.81Å; Y182-F272 HydrophobicContact CE2-CG 3.81Å; Y182-F272 HydrophobicContact CG-CD1 4.02Å; Y182-F272 HydrophobicContact CG-CD2 4.39Å; Y182-F272 AromaticContact CG-CE1 3.68Å; Y182-F272 HydrophobicContact CG-CE1 3.68Å; Y182-F272 HydrophobicContact CG-CE2 4.06Å; Y182-F272 HydrophobicContact CG-CG 4.37Å; Y182-F272 AromaticContact CG-CZ 3.7Å; Y182-F272 HydrophobicContact CG-CZ 3.7Å; Y182-F272 AromaticContact CZ-CD1 3.64Å; T268-F272 HydrophobicContact CG2-CD2 3.7Å; T268-F272 HydrophobicContact CG2-CE2 3.65Å; T268-F272 VanDerWaalsContact O-CD2 3.29Å; T268-F272 WeakPolarHBondContact O-CD2 3.32Å; T268-F272 PolarHBondContact O-N 3.17Å; V269-F272 PolarHBondContact O-N 3.23Å; F272-L275 HydrophobicContact CD1-CD2 4.12Å; F272-L275 HydrophobicContact CE1-CD2 4.38Å; F272-L275 PolarHBondContact O-N 3.35Å; F272-E276 WeakPolarHBondContact O-CB 3.39Å; F272-E276 WeakPolarHBondContact O-CG 3.48Å; F272-E276 PolarHBondContact O-N 3.18Å |
| 273 | V | 88.2 | Confident | 87 | Confident | 42 Ų | 42 | 38.8 Ų | 38.8 | 26% | 0.255 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -60.7 | -48.2 | 173.6 | 170.4 | 0 | 0 | 0 | 0 | 110.5 | V269 L270 L275 E276 Q277 | V269-V273 HydrophobicContact CG1-CG2 4.22Å; V269-V273 WeakPolarHBondContact O-CB 3.43Å; V269-V273 VanDerWaalsContact O-CG2 3.24Å; V269-V273 WeakPolarHBondContact O-CG2 3.42Å; V269-V273 PolarHBondContact O-N 3.05Å; L270-V273 PolarHBondContact O-N 3.32Å; V273-L275 PolarHBondContact O-N 2.88Å; V273-E276 PolarHBondContact O-N 3.12Å; V273-Q277 VanDerWaalsContact O-CG 3.31Å; V273-Q277 WeakPolarHBondContact O-CG 3.3Å; V273-Q277 PolarHBondContact O-N 3.21Å |
| 274 | F | 90.9 | Very high | 87.3 | Confident | 43 Ų | 43 | 41.2 Ų | 41.2 | 19% | 0.189 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.1 | -38.8 | 176.9 | -66.1 | -34 | 0 | 0 | 0 | 112.4 | A20 M23 A24 L270 E276 Q277 L278 | A20-F274 HydrophobicContact CB-CB 3.9Å; M23-F274 HydrophobicContact CB-CD2 3.62Å; M23-F274 HydrophobicContact CB-CE2 3.84Å; M23-F274 HydrophobicContact CB-CG 4.3Å; M23-F274 HydrophobicContact CE-CD1 4.19Å; M23-F274 HydrophobicContact CE-CE1 4.41Å; M23-F274 HydrophobicContact CE-CG 4.27Å; A24-F274 HydrophobicContact CB-CD2 4.18Å; A24-F274 HydrophobicContact CB-CE2 4.36Å; L270-F274 HydrophobicContact CB-CD2 4.35Å; L270-F274 HydrophobicContact CB-CE2 4.06Å; L270-F274 HydrophobicContact CD2-CE2 4.24Å; L270-F274 HydrophobicContact CD2-CZ 4.06Å; L270-F274 VanDerWaalsContact O-CB 3.32Å; L270-F274 WeakPolarHBondContact O-CB 3.27Å; L270-F274 WeakPolarHBondContact O-CD2 3.13Å; L270-F274 WeakPolarHBondContact O-CG 3.41Å; L270-F274 PolarHBondContact O-N 2.9Å; F274-E276 PolarHBondContact O-N 3.31Å; F274-Q277 PolarHBondContact O-N 3.32Å; F274-L278 WeakPolarHBondContact O-CB 3.47Å; F274-L278 VanDerWaalsContact O-CG 3.28Å; F274-L278 WeakPolarHBondContact O-CG 3.34Å; F274-L278 PolarHBondContact O-N 2.99Å |
| 275 | L | 88.6 | Confident | 86.8 | Confident | 12 Ų | 12 | 45.9 Ų | 45.9 | 6% | 0.063 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59 | -48.9 | 175.8 | 178 | 59.1 | 0 | 0 | 0 | 111 | F16 A20 F83 T271 F272 V273 Q277 L278 I279 | F16-L275 HydrophobicContact CB-CD1 3.65Å; A20-L275 HydrophobicContact CB-CB 3.91Å; F83-L275 HydrophobicContact CD1-CD2 4.36Å; F83-L275 HydrophobicContact CE1-CD2 3.74Å; F83-L275 HydrophobicContact CZ-CD2 4.29Å; T271-L275 WeakPolarHBondContact O-CB 3.39Å; T271-L275 PolarHBondContact O-N 3.21Å; F272-L275 HydrophobicContact CD1-CD2 4.12Å; F272-L275 HydrophobicContact CE1-CD2 4.38Å; F272-L275 PolarHBondContact O-N 3.35Å; V273-L275 PolarHBondContact O-N 2.88Å; L275-Q277 VanDerWaalsContact C-N 3.34Å; L275-Q277 PolarHBondContact O-N 3.02Å; L275-L278 WeakPolarHBondContact O-CB 3.48Å; L275-L278 PolarHBondContact O-N 2.65Å; L275-L278 VanDerWaalsContact O-N 3.17Å; L275-I279 HydrophobicContact CD1-CD1 4.1Å; L275-I279 HydrophobicContact CD1-CG1 4.37Å; L275-I279 HydrophobicContact CG-CD1 3.96Å; L275-I279 VanDerWaalsContact O-CG1 3.26Å; L275-I279 WeakPolarHBondContact O-CG1 3.43Å; L275-I279 PolarHBondContact O-N 3.42Å |
| 276 | E | 84.7 | Confident | 86.1 | Confident | 22 Ų | 22 | 48.5 Ų | 48.5 | 10% | 0.103 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.7 | -36.5 | -179.9 | -64.7 | -76.8 | -171.1 | 0 | 0 | 111.3 | Y182 K186 H202 F272 V273 F274 I279 F280 | Y182-E276 PolarHBondContact OH-OE1 2.78Å; K186-E276 IonicContact NZ-OE1 3.53Å; K186-E276 PolarHBondContact NZ-OE1 3.19Å; K186-E276 IonicContact NZ-OE2 3.27Å; H202-E276 VanDerWaalsContact CE1-CG 3.49Å; H202-E276 WeakPolarHBondContact CE1-CG 3.49Å; H202-E276 IonicContact CE1-OE1 2.82Å; H202-E276 PolarHBondContact CE1-OE1 3.06Å; H202-E276 IonicContact CE1-OE2 3.75Å; H202-E276 IonicContact ND1-OE1 3.34Å; H202-E276 PolarHBondContact ND1-OE1 3.23Å; F272-E276 WeakPolarHBondContact O-CB 3.39Å; F272-E276 WeakPolarHBondContact O-CG 3.48Å; F272-E276 PolarHBondContact O-N 3.18Å; V273-E276 PolarHBondContact O-N 3.12Å; F274-E276 PolarHBondContact O-N 3.31Å; E276-I279 PolarHBondContact O-N 2.95Å; E276-F280 VanDerWaalsContact O-CB 3.25Å; E276-F280 WeakPolarHBondContact O-CB 3.47Å; E276-F280 PolarHBondContact O-N 3.13Å |
| 277 | Q | 87.9 | Confident | 84.8 | Confident | 87 Ų | 87 | 51.7 Ų | 51.7 | 41% | 0.407 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -65.9 | -36.2 | 172.3 | -68.9 | -52.7 | -56.7 | 0 | 0 | 112.7 | V273 F274 L275 N281 | V273-Q277 VanDerWaalsContact O-CG 3.31Å; V273-Q277 WeakPolarHBondContact O-CG 3.3Å; V273-Q277 PolarHBondContact O-N 3.21Å; F274-Q277 PolarHBondContact O-N 3.32Å; L275-Q277 VanDerWaalsContact C-N 3.34Å; L275-Q277 PolarHBondContact O-N 3.02Å; Q277-N281 WeakPolarHBondContact O-CB 3.16Å; Q277-N281 PolarHBondContact O-N 2.93Å; Q277-N281 PolarHBondContact O-ND2 3.24Å |
| 278 | L | 89.2 | Confident | 83.3 | Confident | 27 Ų | 27 | 56.9 Ų | 56.9 | 14% | 0.141 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -67.6 | -42.8 | 174.2 | -73.6 | 170.5 | 0 | 0 | 0 | 111.1 | F16 V19 A20 F274 L275 F280 F282 G283 | F16-L278 HydrophobicContact CB-CB 4.39Å; F16-L278 HydrophobicContact CB-CD1 4.36Å; F16-L278 HydrophobicContact CD2-CB 3.91Å; F16-L278 HydrophobicContact CE2-CB 4.33Å; F16-L278 WeakPolarHBondContact CE2-O 3.43Å; F16-L278 HydrophobicContact CG-CB 4.12Å; V19-L278 HydrophobicContact CB-CD1 4.17Å; V19-L278 HydrophobicContact CG1-CD1 4.06Å; A20-L278 HydrophobicContact CB-CD1 4.05Å; F274-L278 WeakPolarHBondContact O-CB 3.47Å; F274-L278 VanDerWaalsContact O-CG 3.28Å; F274-L278 WeakPolarHBondContact O-CG 3.34Å; F274-L278 PolarHBondContact O-N 2.99Å; L275-L278 WeakPolarHBondContact O-CB 3.48Å; L275-L278 PolarHBondContact O-N 2.65Å; L275-L278 VanDerWaalsContact O-N 3.17Å; L278-F280 VanDerWaalsContact C-N 3.35Å; L278-F282 HydrophobicContact CD2-CD2 3.94Å; L278-F282 HydrophobicContact CD2-CE2 4.26Å; L278-F282 WeakPolarHBondContact O-CA 3.42Å; L278-F282 WeakPolarHBondContact O-CB 3.41Å; L278-F282 PolarHBondContact O-N 2.8Å; L278-G283 PolarHBondContact O-N 3.24Å |
| 279 | I | 86.4 | Confident | 81.4 | Confident | 29 Ų | 29 | 68 Ų | 68 | 15% | 0.149 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61.7 | -45.1 | 175 | -65.7 | 167.5 | 0 | 0 | 0 | 110.5 | K10 F16 L275 E276 G283 | K10-I279 HydrophobicContact CB-CG2 4.12Å; K10-I279 WeakPolarHBondContact CD-O 2.87Å; K10-I279 VanDerWaalsContact O-CG2 3.28Å; K10-I279 WeakPolarHBondContact O-CG2 3.37Å; F16-I279 HydrophobicContact CD2-CG1 4Å; L275-I279 HydrophobicContact CD1-CD1 4.1Å; L275-I279 HydrophobicContact CD1-CG1 4.37Å; L275-I279 HydrophobicContact CG-CD1 3.96Å; L275-I279 VanDerWaalsContact O-CG1 3.26Å; L275-I279 WeakPolarHBondContact O-CG1 3.43Å; L275-I279 PolarHBondContact O-N 3.42Å; E276-I279 PolarHBondContact O-N 2.95Å; I279-G283 WeakPolarHBondContact O-CA 3.47Å; I279-G283 PolarHBondContact O-N 3.17Å |
| 280 | F | 83.7 | Confident | 81 | Confident | 88 Ų | 88 | 70.3 Ų | 70.3 | 39% | 0.386 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.6 | -49.1 | -179.6 | 175.5 | -103.4 | 0 | 0 | 0 | 112.2 | R7 K10 E276 L278 | R7-F280 HydrophobicContact CG-CD2 4.5Å; R7-F280 HydrophobicContact CG-CE2 4.36Å; K10-F280 WeakPolarHBondContact CD-O 3.46Å; K10-F280 PolarHBondContact NZ-O 3.35Å; E276-F280 VanDerWaalsContact O-CB 3.25Å; E276-F280 WeakPolarHBondContact O-CB 3.47Å; E276-F280 PolarHBondContact O-N 3.13Å; L278-F280 VanDerWaalsContact C-N 3.35Å |
| 281 | N | 86.9 | Confident | 80.4 | Confident | 88 Ų | 88 | 71.2 Ų | 71.2 | 47% | 0.471 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -82.4 | -40.7 | -174.2 | -68.1 | -57.6 | 0 | 0 | 0 | 112.7 | Q277 | Q277-N281 WeakPolarHBondContact O-CB 3.16Å; Q277-N281 PolarHBondContact O-N 2.93Å; Q277-N281 PolarHBondContact O-ND2 3.24Å |
| 282 | F | 88.8 | Confident | 79.9 | Confident | 135 Ų | 135 | 75.1 Ų | 75.1 | 59% | 0.592 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -118.8 | -2.8 | -169.8 | -56.9 | -76.3 | 0 | 0 | 0 | 114.4 | F16 L278 | F16-F282 HydrophobicContact CE1-CB 4.5Å; F16-F282 HydrophobicContact CE2-CB 4.3Å; F16-F282 HydrophobicContact CZ-CB 3.71Å; L278-F282 HydrophobicContact CD2-CD2 3.94Å; L278-F282 HydrophobicContact CD2-CE2 4.26Å; L278-F282 WeakPolarHBondContact O-CA 3.42Å; L278-F282 WeakPolarHBondContact O-CB 3.41Å; L278-F282 PolarHBondContact O-N 2.8Å |
| 283 | G | 82.4 | Confident | 79.4 | Confident | 9 Ų | 9 | 79.1 Ų | 79.1 | 9% | 0.093 | 41% | 0.413 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 152.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | V11 L278 I279 | V11-G283 WeakPolarHBondContact O-CA 3.41Å; L278-G283 PolarHBondContact O-N 3.24Å; I279-G283 WeakPolarHBondContact O-CA 3.47Å; I279-G283 PolarHBondContact O-N 3.17Å |
| 284 | H | 82.7 | Confident | 78.9 | Confident | 114 Ų | 114 | 81.4 Ų | 81.4 | 53% | 0.528 | 42% | 0.423 | S | S | . | . | B | Isolated β-bridge | trans | -97.4 | 148.5 | -179 | -54.2 | -50.2 | 0 | 0 | 0 | 110.3 | K10 V11 | K10-H284 CarbonylContact C-O 3.59Å; K10-H284 WeakPolarHBondContact CA-O 3.49Å; V11-H284 PolarHBondContact N-O 3.1Å; V11-H284 PolarHBondContact O-N 2.81Å |
| 285 | L | 74.2 | Confident | 78.1 | Confident | 104 Ų | 104 | 84 Ų | 84 | 55% | 0.545 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -73 | 132.7 | 169.3 | -70.1 | 167.1 | 0 | 0 | 0 | 108.1 | K9 K10 | K9-L285 HydrophobicContact CB-CD2 3.98Å; K10-L285 HydrophobicContact CG-CD2 4.33Å |
| 286 | P | 70.1 | Confident | 77.3 | Confident | 67 Ų | 67 | 89.1 Ų | 89.1 | 44% | 0.435 | 47% | 0.465 | S | S | . | . | P | Polyproline II helix | trans | -59.9 | 141.3 | 176 | 23.8 | -31.4 | 0 | 0 | 0 | 108.3 | K9 V11 S288 | K9-P286 WeakPolarHBondContact O-CD 3.36Å; V11-P286 HydrophobicContact CG2-CB 4.1Å; V11-P286 HydrophobicContact CG2-CG 4.2Å; P286-S288 PolarHBondContact O-N 3.24Å |
| 287 | P | 60.7 | Low | 76.8 | Confident | 116 Ų | 116 | 94.3 Ų | 94.3 | 75% | 0.753 | 49% | 0.493 | S | S | * | . | P | Polyproline II helix | trans | -56.3 | 126.8 | 177.2 | 22.3 | -30.9 | 0 | 0 | 0 | 108.8 | K289 | P287-K289 PolarHBondContact O-N 3.38Š|
| 288 | S | 57.2 | Low | 75.8 | Confident | 128 Ų | 128 | 94.9 Ų | 94.9 | 90% | 0.895 | 50% | 0.5 | S | S | * | . | trans | -62 | 110 | 172.3 | -168.6 | 0 | 0 | 0 | 0 | 107.1 | P286 | P286-S288 PolarHBondContact O-N 3.24Š| ||
| 289 | K | 47.9 | Very low | 74.6 | Confident | 234 Ų | 234 | 101.1 Ų | 101.1 | 100% | 1.017 | 53% | 0.533 | S | S | * | . | trans | -83.4 | 0 | 165.3 | -74.2 | -174.2 | 178.4 | 175.9 | 0 | 109.5 | P287 | P287-K289 PolarHBondContact O-N 3.38Š|
Retrieved 289 of 289 residues in 62.7 ms
(Link to these results)