| 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 | 35.4 | Very low | 63.4 | Low | 242 Ų | 242 | 124.5 Ų | 124.5 | 100% | 1.192 | 62% | 0.624 | S | S | * | * | 0 | 105.9 | 0 | -86.8 | 173.5 | 159.6 | 0 | 0 | 107.1 | D3 | M1-D3 PolarHBondContact O-N 3.49Š| |||
| 2 | E | 38.1 | Very low | 65.7 | Low | 188 Ų | 188 | 115.6 Ų | 115.6 | 88% | 0.879 | 58% | 0.579 | S | S | * | * | trans | -55.7 | 110.8 | 164.2 | -77.6 | 177.3 | 131.4 | 0 | 0 | 106.8 | T4 | E2-T4 PolarHBondContact O-N 3.12Š| ||
| 3 | D | 45.6 | Very low | 67.7 | Low | 126 Ų | 126 | 113.2 Ų | 113.2 | 67% | 0.674 | 57% | 0.569 | S | S | * | * | trans | -67.4 | 86 | 170.7 | -162.1 | 19.6 | 0 | 0 | 0 | 105.9 | M1 G5 | M1-D3 PolarHBondContact O-N 3.49Å; D3-G5 PolarHBondContact O-N 3.31Å | ||
| 4 | T | 45.3 | Very low | 69.7 | Low | 117 Ų | 117 | 113.3 Ų | 113.3 | 72% | 0.718 | 56% | 0.564 | S | S | * | * | trans | -45.7 | 111.3 | 178.5 | 46.7 | 0 | 0 | 0 | 0 | 106.9 | E2 R6 | E2-T4 PolarHBondContact O-N 3.12Å; T4-R6 PolarHBondContact O-N 3.15Å; T4-R6 VanDerWaalsContact O-N 3.16Å | ||
| 5 | G | 53 | Low | 71.3 | Confident | 21 Ų | 21 | 105.8 Ų | 105.8 | 22% | 0.216 | 53% | 0.526 | C | S | . | . | trans | -39.2 | 120.3 | -160.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | D3 K7 | D3-G5 PolarHBondContact O-N 3.31Å; G5-K7 PolarHBondContact O-N 3.01Å | ||
| 6 | R | 56.7 | Low | 72.7 | Confident | 160 Ų | 160 | 99.7 Ų | 99.7 | 60% | 0.604 | 50% | 0.498 | S | S | * | . | trans | -40 | 94.7 | -173.4 | -172.1 | -174.2 | -76.8 | -172.4 | -5 | 110.7 | T4 W8 | T4-R6 PolarHBondContact O-N 3.15Å; T4-R6 VanDerWaalsContact O-N 3.16Å; R6-W8 PolarHBondContact O-N 2.81Å | ||
| 7 | K | 70.6 | Confident | 73.9 | Confident | 185 Ų | 185 | 102.5 Ų | 102.5 | 80% | 0.804 | 51% | 0.507 | S | S | * | . | P | Polyproline II helix | trans | -64.9 | 122.4 | 166.5 | -73.4 | -175.5 | 178 | 179.6 | 0 | 105.7 | G5 T9 | G5-K7 PolarHBondContact O-N 3.01Å; K7-T9 PolarHBondContact O-N 2.99Å |
| 8 | W | 81 | Confident | 75.2 | Confident | 43 Ų | 43 | 98.2 Ų | 98.2 | 16% | 0.163 | 49% | 0.486 | C | S | . | . | P | Polyproline II helix | trans | -57.3 | 138.1 | 172.9 | -73.2 | 11.8 | 0 | 0 | 0 | 109 | R6 Q12 L13 A16 I301 T305 L309 I369 | R6-W8 PolarHBondContact O-N 2.81Å; W8-Q12 HydrophobicContact CB-CB 4.11Å; W8-Q12 HydrophobicContact CG-CB 4.47Å; W8-L13 HydrophobicContact CB-CD1 4.47Å; W8-L13 HydrophobicContact CB-CD2 4.24Å; W8-L13 HydrophobicContact CB-CG 3.89Å; W8-L13 HydrophobicContact CE3-CD2 3.76Å; W8-L13 HydrophobicContact CE3-CG 4.25Å; W8-A16 HydrophobicContact CE3-CB 4.38Å; W8-A16 HydrophobicContact CH2-CB 4.35Å; W8-A16 HydrophobicContact CZ3-CB 3.56Å; W8-I301 HydrophobicContact CD2-CD1 4.23Å; W8-I301 HydrophobicContact CE3-CD1 4.5Å; W8-I301 HydrophobicContact CH2-CD1 4.18Å; W8-I301 HydrophobicContact CZ2-CD1 3.92Å; W8-I301 HydrophobicContact CZ3-CD1 4.5Å; W8-T305 HydrophobicContact CH2-CG2 3.98Å; W8-T305 HydrophobicContact CZ2-CG2 3.85Å; W8-L309 HydrophobicContact CH2-CD1 4.45Å; W8-L309 HydrophobicContact CH2-CD2 4.29Å; W8-I369 HydrophobicContact CH2-CD1 3.21Å; W8-I369 HydrophobicContact CH2-CG1 3.81Å; W8-I369 HydrophobicContact CZ2-CD1 3.6Å; W8-I369 HydrophobicContact CZ2-CG1 3.71Å; W8-I369 HydrophobicContact CZ3-CD1 3.77Å; W8-I369 HydrophobicContact CZ3-CG1 4.3Å |
| 9 | T | 89 | Confident | 76.3 | Confident | 73 Ų | 73 | 93.1 Ų | 93.1 | 45% | 0.448 | 46% | 0.46 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 156.9 | 173.5 | 68.1 | 0 | 0 | 0 | 0 | 109.4 | K7 Y11 Q12 L13 | K7-T9 PolarHBondContact O-N 2.99Å; T9-Y11 PolarHBondContact O-N 3.44Å; T9-Y11 VanDerWaalsContact O-N 3.13Å; T9-Q12 PolarHBondContact O-N 3.22Å; T9-Q12 WeakPolarHBondContact OG1-CG 3.35Å; T9-Q12 PolarHBondContact OG1-N 3.27Å; T9-Q12 VanDerWaalsContact OG1-N 3.12Å; T9-L13 PolarHBondContact O-N 2.84Å |
| 10 | S | 90.4 | Very high | 77.1 | Confident | 106 Ų | 106 | 89.3 Ų | 89.3 | 74% | 0.741 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -55.7 | -31.7 | 174.3 | -53.2 | 0 | 0 | 0 | 0 | 111.9 | F14 | S10-F14 WeakPolarHBondContact O-CB 3.44Å; S10-F14 PolarHBondContact O-N 3.35Å |
| 11 | Y | 91.9 | Very high | 78 | Confident | 108 Ų | 108 | 87.1 Ų | 87.1 | 42% | 0.424 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -66.8 | -46.8 | 174.3 | -179.9 | -118.5 | 0 | 0 | 0 | 112.6 | T9 L13 F14 L15 E300 | T9-Y11 PolarHBondContact O-N 3.44Å; T9-Y11 VanDerWaalsContact O-N 3.13Å; Y11-L13 VanDerWaalsContact C-N 3.34Å; Y11-L13 PolarHBondContact O-N 3.39Å; Y11-F14 WeakPolarHBondContact O-CB 3.42Å; Y11-F14 PolarHBondContact O-N 3.47Å; Y11-L15 HydrophobicContact CD1-CD1 4.04Å; Y11-L15 HydrophobicContact CD2-CG 4.45Å; Y11-L15 HydrophobicContact CE1-CD1 3.55Å; Y11-L15 HydrophobicContact CE1-CG 4.28Å; Y11-L15 HydrophobicContact CE2-CD1 4.23Å; Y11-L15 HydrophobicContact CE2-CD2 4.15Å; Y11-L15 HydrophobicContact CE2-CG 4.07Å; Y11-L15 WeakPolarHBondContact O-CG 3.36Å; Y11-L15 PolarHBondContact O-N 3.13Å; Y11-E300 HydrophobicContact CD1-CG 4.48Å; Y11-E300 HydrophobicContact CE1-CG 3.95Å |
| 12 | Q | 91.8 | Very high | 80.9 | Confident | 18 Ų | 18 | 76.4 Ų | 76.4 | 8% | 0.084 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -62.1 | -40.8 | 176.1 | -75.7 | 168.8 | -16.8 | 0 | 0 | 112.1 | W8 T9 L15 A16 E300 I301 | W8-Q12 HydrophobicContact CB-CB 4.11Å; W8-Q12 HydrophobicContact CG-CB 4.47Å; T9-Q12 PolarHBondContact O-N 3.22Å; T9-Q12 WeakPolarHBondContact OG1-CG 3.35Å; T9-Q12 PolarHBondContact OG1-N 3.27Å; T9-Q12 VanDerWaalsContact OG1-N 3.12Å; Q12-L15 PolarHBondContact O-N 2.8Å; Q12-A16 WeakPolarHBondContact O-CB 3.42Å; Q12-A16 PolarHBondContact O-N 3.21Å; Q12-E300 HydrophobicContact CG-CB 4.27Å; Q12-E300 PolarHBondContact NE2-O 3.33Å; Q12-E300 VanDerWaalsContact NE2-O 3.15Å; Q12-I301 HydrophobicContact CB-CD1 4.19Å; Q12-I301 HydrophobicContact CG-CD1 4.18Å; Q12-I301 HydrophobicContact CG-CG1 4.09Å |
| 13 | L | 91.3 | Very high | 83.5 | Confident | 85 Ų | 85 | 67.4 Ų | 67.4 | 45% | 0.445 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63.2 | -43.1 | 174.4 | -74.7 | 165.3 | 0 | 0 | 0 | 111.8 | W8 T9 Y11 A16 F17 | W8-L13 HydrophobicContact CB-CD1 4.47Å; W8-L13 HydrophobicContact CB-CD2 4.24Å; W8-L13 HydrophobicContact CB-CG 3.89Å; W8-L13 HydrophobicContact CE3-CD2 3.76Å; W8-L13 HydrophobicContact CE3-CG 4.25Å; T9-L13 PolarHBondContact O-N 2.84Å; Y11-L13 VanDerWaalsContact C-N 3.34Å; Y11-L13 PolarHBondContact O-N 3.39Å; L13-A16 PolarHBondContact O-N 3.27Å; L13-F17 WeakPolarHBondContact O-CB 3.27Å; L13-F17 PolarHBondContact O-N 3.13Å |
| 14 | F | 95.2 | Very high | 85.8 | Confident | 114 Ų | 114 | 62 Ų | 62 | 50% | 0.5 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.4 | -46.9 | 174.8 | 168.6 | -101 | 0 | 0 | 0 | 111.8 | S10 Y11 A16 F17 L18 | S10-F14 WeakPolarHBondContact O-CB 3.44Å; S10-F14 PolarHBondContact O-N 3.35Å; Y11-F14 WeakPolarHBondContact O-CB 3.42Å; Y11-F14 PolarHBondContact O-N 3.47Å; F14-A16 VanDerWaalsContact C-N 3.34Å; F14-A16 PolarHBondContact O-N 3.45Å; F14-F17 PolarHBondContact O-N 2.91Å; F14-L18 HydrophobicContact CE1-CD2 4.18Å; F14-L18 HydrophobicContact CZ-CD2 4.2Å; F14-L18 VanDerWaalsContact O-CB 3.29Å; F14-L18 WeakPolarHBondContact O-CB 3.47Å; F14-L18 PolarHBondContact O-N 3.19Å |
| 15 | L | 94.9 | Very high | 88.1 | Confident | 1 Ų | 1 | 60.9 Ų | 60.9 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.5 | -43 | 177.1 | -71.6 | 177 | 0 | 0 | 0 | 112 | Y11 Q12 L18 M19 F292 V297 E300 | Y11-L15 HydrophobicContact CD1-CD1 4.04Å; Y11-L15 HydrophobicContact CD2-CG 4.45Å; Y11-L15 HydrophobicContact CE1-CD1 3.55Å; Y11-L15 HydrophobicContact CE1-CG 4.28Å; Y11-L15 HydrophobicContact CE2-CD1 4.23Å; Y11-L15 HydrophobicContact CE2-CD2 4.15Å; Y11-L15 HydrophobicContact CE2-CG 4.07Å; Y11-L15 WeakPolarHBondContact O-CG 3.36Å; Y11-L15 PolarHBondContact O-N 3.13Å; Q12-L15 PolarHBondContact O-N 2.8Å; L15-L18 PolarHBondContact O-N 3.48Å; L15-M19 WeakPolarHBondContact O-CB 3.49Å; L15-M19 PolarHBondContact O-N 2.74Å; L15-F292 HydrophobicContact CD2-CE1 4.42Å; L15-V297 HydrophobicContact CB-CG2 3.96Å; L15-E300 HydrophobicContact CD1-CG 4.12Å |
| 16 | A | 92.7 | Very high | 90 | Very high | 8 Ų | 8 | 60.5 Ų | 60.5 | 7% | 0.066 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.2 | -44.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | W8 Q12 L13 F14 M19 V20 L309 | W8-A16 HydrophobicContact CE3-CB 4.38Å; W8-A16 HydrophobicContact CH2-CB 4.35Å; W8-A16 HydrophobicContact CZ3-CB 3.56Å; Q12-A16 WeakPolarHBondContact O-CB 3.42Å; Q12-A16 PolarHBondContact O-N 3.21Å; L13-A16 PolarHBondContact O-N 3.27Å; F14-A16 VanDerWaalsContact C-N 3.34Å; F14-A16 PolarHBondContact O-N 3.45Å; A16-M19 PolarHBondContact O-N 3.16Å; A16-V20 WeakPolarHBondContact O-CG2 3.24Å; A16-V20 PolarHBondContact O-N 2.94Å; A16-L309 HydrophobicContact CB-CD1 3.57Å; A16-L309 HydrophobicContact CB-CD2 3.95Å; A16-L309 HydrophobicContact CB-CG 4.44Å |
| 17 | F | 94.1 | Very high | 91.6 | Very high | 148 Ų | 148 | 54.8 Ų | 54.8 | 65% | 0.649 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -62.5 | -45 | 174.7 | 176.3 | -96 | 0 | 0 | 0 | 111.8 | L13 F14 M19 V20 S21 | L13-F17 WeakPolarHBondContact O-CB 3.27Å; L13-F17 PolarHBondContact O-N 3.13Å; F14-F17 PolarHBondContact O-N 2.91Å; F17-M19 VanDerWaalsContact C-N 3.35Å; F17-M19 PolarHBondContact O-N 3.34Å; F17-V20 PolarHBondContact O-N 2.94Å; F17-S21 VanDerWaalsContact O-CB 3.3Å; F17-S21 WeakPolarHBondContact O-CB 3.32Å; F17-S21 PolarHBondContact O-N 2.95Å; F17-S21 PolarHBondContact O-OG 2.94Å |
| 18 | L | 96.9 | Very high | 92.6 | Very high | 25 Ų | 25 | 47 Ų | 47 | 13% | 0.131 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.3 | -46.9 | 177.6 | -177.9 | 64.2 | 0 | 0 | 0 | 110.6 | F14 L15 S21 T22 F289 F292 A293 | F14-L18 HydrophobicContact CE1-CD2 4.18Å; F14-L18 HydrophobicContact CZ-CD2 4.2Å; F14-L18 VanDerWaalsContact O-CB 3.29Å; F14-L18 WeakPolarHBondContact O-CB 3.47Å; F14-L18 PolarHBondContact O-N 3.19Å; L15-L18 PolarHBondContact O-N 3.48Å; L18-S21 PolarHBondContact O-OG 3.41Å; L18-S21 VanDerWaalsContact O-OG 3.1Å; L18-T22 HydrophobicContact CD1-CG2 3.77Å; L18-T22 HydrophobicContact CG-CG2 4.43Å; L18-T22 WeakPolarHBondContact O-CB 3.47Å; L18-T22 VanDerWaalsContact O-CG2 3.31Å; L18-T22 WeakPolarHBondContact O-CG2 3.38Å; L18-T22 PolarHBondContact O-N 2.89Å; L18-T22 PolarHBondContact O-OG1 2.96Å; L18-F289 HydrophobicContact CD1-CB 4.38Å; L18-F289 HydrophobicContact CD1-CD1 4.34Å; L18-F289 HydrophobicContact CD2-CD1 4.45Å; L18-F292 HydrophobicContact CD2-CD1 4.4Å; L18-A293 HydrophobicContact CB-CB 4.22Å; L18-A293 HydrophobicContact CD2-CB 4.01Å; L18-A293 HydrophobicContact CG-CB 4.01Å |
| 19 | M | 95.1 | Very high | 93.2 | Very high | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60 | -50.4 | 177.7 | -176.1 | -175.7 | 167.7 | 0 | 0 | 111.8 | L15 A16 F17 G23 F290 A293 V297 R306 L309 D310 | L15-M19 WeakPolarHBondContact O-CB 3.49Å; L15-M19 PolarHBondContact O-N 2.74Å; A16-M19 PolarHBondContact O-N 3.16Å; F17-M19 VanDerWaalsContact C-N 3.35Å; F17-M19 PolarHBondContact O-N 3.34Å; M19-G23 PolarHBondContact O-N 3.28Å; M19-F290 HydrophobicContact CE-CE2 3.91Å; M19-F290 HydrophobicContact CE-CZ 4.31Å; M19-F290 HydrophobicContact CG-CD2 4Å; M19-F290 HydrophobicContact CG-CE2 3.88Å; M19-F290 WeakPolarHBondContact O-CD2 3.4Å; M19-A293 HydrophobicContact CB-CB 3.74Å; M19-V297 HydrophobicContact SD-CG2 4.39Å; M19-R306 HydrophobicContact CE-CG 3.6Å; M19-R306 WeakPolarHBondContact CE-O 3.1Å; M19-R306 HydrophobicContact SD-CG 4.08Å; M19-L309 HydrophobicContact CE-CB 4.31Å; M19-L309 HydrophobicContact SD-CB 3.94Å; M19-L309 HydrophobicContact SD-CD1 4.22Å; M19-D310 HydrophobicContact CE-CB 4Å |
| 20 | V | 93.1 | Very high | 93.3 | Very high | 17 Ų | 17 | 42.4 Ų | 42.4 | 10% | 0.103 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.8 | -45.3 | -177.3 | 173.3 | 0 | 0 | 0 | 0 | 111.4 | A16 F17 T24 L309 V312 R313 F316 | A16-V20 WeakPolarHBondContact O-CG2 3.24Å; A16-V20 PolarHBondContact O-N 2.94Å; F17-V20 PolarHBondContact O-N 2.94Å; V20-T24 WeakPolarHBondContact O-CB 3.44Å; V20-T24 PolarHBondContact O-N 3.43Å; V20-T24 PolarHBondContact O-OG1 3.48Å; V20-L309 HydrophobicContact CG2-CB 4.27Å; V20-L309 HydrophobicContact CG2-CD2 4.24Å; V20-V312 HydrophobicContact CG1-CG1 4.12Å; V20-V312 HydrophobicContact CG2-CB 4.41Å; V20-V312 HydrophobicContact CG2-CG1 4.3Å; V20-R313 HydrophobicContact CG1-CB 4.39Å; V20-F316 HydrophobicContact CG1-CD2 3.64Å; V20-F316 HydrophobicContact CG1-CE2 3.7Å |
| 21 | S | 95 | Very high | 93.2 | Very high | 44 Ų | 44 | 40 Ų | 40 | 31% | 0.308 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -65.9 | -48.4 | -178.8 | 56.4 | 0 | 0 | 0 | 0 | 112.2 | F17 L18 T24 L25 | F17-S21 VanDerWaalsContact O-CB 3.3Å; F17-S21 WeakPolarHBondContact O-CB 3.32Å; F17-S21 PolarHBondContact O-N 2.95Å; F17-S21 PolarHBondContact O-OG 2.94Å; L18-S21 PolarHBondContact O-OG 3.41Å; L18-S21 VanDerWaalsContact O-OG 3.1Å; S21-T24 WeakPolarHBondContact O-CB 3.5Å; S21-T24 PolarHBondContact O-N 3.33Å; S21-L25 PolarHBondContact O-N 2.87Å |
| 22 | T | 96.6 | Very high | 93.2 | Very high | 16 Ų | 16 | 39.4 Ų | 39.4 | 10% | 0.098 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -72 | -35.5 | -179.7 | 58.4 | 0 | 0 | 0 | 0 | 112.3 | L18 T24 L25 N26 F289 F290 | L18-T22 HydrophobicContact CD1-CG2 3.77Å; L18-T22 HydrophobicContact CG-CG2 4.43Å; L18-T22 WeakPolarHBondContact O-CB 3.47Å; L18-T22 VanDerWaalsContact O-CG2 3.31Å; L18-T22 WeakPolarHBondContact O-CG2 3.38Å; L18-T22 PolarHBondContact O-N 2.89Å; L18-T22 PolarHBondContact O-OG1 2.96Å; T22-T24 VanDerWaalsContact C-N 3.31Å; T22-T24 PolarHBondContact O-N 2.93Å; T22-L25 PolarHBondContact O-N 3.47Å; T22-N26 WeakPolarHBondContact O-CB 3.22Å; T22-N26 PolarHBondContact O-N 3.37Å; T22-F289 HydrophobicContact CG2-CB 3.69Å; T22-F290 VanDerWaalsContact OG1-CA 3.25Å; T22-F290 WeakPolarHBondContact OG1-CA 3.5Å; T22-F290 PolarHBondContact OG1-N 3.31Å |
| 23 | G | 94.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.7 | -34.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | M19 T27 | M19-G23 PolarHBondContact O-N 3.28Å; G23-T27 PolarHBondContact O-N 3.35Å; G23-T27 PolarHBondContact O-OG1 3.16Å |
| 24 | T | 92.1 | Very high | 93.1 | Very high | 13 Ų | 13 | 37.8 Ų | 37.8 | 8% | 0.08 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.6 | -49.9 | 171.8 | -58.3 | 0 | 0 | 0 | 0 | 110.4 | V20 S21 T22 N26 T27 L28 F316 I317 | V20-T24 WeakPolarHBondContact O-CB 3.44Å; V20-T24 PolarHBondContact O-N 3.43Å; V20-T24 PolarHBondContact O-OG1 3.48Å; S21-T24 WeakPolarHBondContact O-CB 3.5Å; S21-T24 PolarHBondContact O-N 3.33Å; T22-T24 VanDerWaalsContact C-N 3.31Å; T22-T24 PolarHBondContact O-N 2.93Å; T24-N26 PolarHBondContact O-N 3.47Å; T24-T27 PolarHBondContact O-N 3.32Å; T24-L28 HydrophobicContact CG2-CD1 3.86Å; T24-L28 HydrophobicContact CG2-CG 4.46Å; T24-L28 WeakPolarHBondContact O-CG 3.25Å; T24-L28 PolarHBondContact O-N 3.46Å; T24-F316 HydrophobicContact CG2-CB 3.79Å; T24-I317 HydrophobicContact CG2-CG1 4.02Å |
| 25 | L | 94.6 | Very high | 92.8 | Very high | 93 Ų | 93 | 37.2 Ų | 37.2 | 49% | 0.487 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -59 | -44.7 | 179 | -178.4 | 62.9 | 0 | 0 | 0 | 112.2 | S21 T22 T27 L28 A29 | S21-L25 PolarHBondContact O-N 2.87Å; T22-L25 PolarHBondContact O-N 3.47Å; L25-T27 PolarHBondContact O-N 3.22Å; L25-L28 PolarHBondContact O-N 3.29Å; L25-A29 VanDerWaalsContact O-CB 3.25Å; L25-A29 WeakPolarHBondContact O-CB 3.39Å; L25-A29 PolarHBondContact O-N 3.45Å |
| 26 | N | 93.8 | Very high | 92.7 | Very high | 12 Ų | 12 | 38.1 Ų | 38.1 | 6% | 0.064 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -51.6 | -55.5 | 174.3 | 166.5 | 8.1 | 0 | 0 | 0 | 111 | T22 T24 L28 A29 A30 L283 S286 I287 | T22-N26 WeakPolarHBondContact O-CB 3.22Å; T22-N26 PolarHBondContact O-N 3.37Å; T24-N26 PolarHBondContact O-N 3.47Å; N26-L28 VanDerWaalsContact C-N 3.31Å; N26-L28 PolarHBondContact O-N 3.4Å; N26-A29 PolarHBondContact O-N 2.82Å; N26-A29 VanDerWaalsContact O-N 3.15Å; N26-A30 PolarHBondContact O-N 2.9Å; N26-L283 WeakPolarHBondContact OD1-CD1 3.3Å; N26-S286 WeakPolarHBondContact CA-OG 3.26Å; N26-S286 WeakPolarHBondContact CB-OG 3.29Å; N26-S286 PolarHBondContact N-OG 3.02Å; N26-I287 HydrophobicContact CB-CG1 4.12Å; N26-I287 WeakPolarHBondContact ND2-CG1 3.33Å |
| 27 | T | 89.9 | Confident | 92.7 | Very high | 40 Ų | 40 | 44.7 Ų | 44.7 | 25% | 0.245 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.6 | -38.2 | -175.2 | -47.2 | 0 | 0 | 0 | 0 | 111.8 | G23 T24 L25 K31 R313 I317 | G23-T27 PolarHBondContact O-N 3.35Å; G23-T27 PolarHBondContact O-OG1 3.16Å; T24-T27 PolarHBondContact O-N 3.32Å; L25-T27 PolarHBondContact O-N 3.22Å; T27-K31 WeakPolarHBondContact O-CB 3.43Å; T27-K31 PolarHBondContact O-N 2.98Å; T27-R313 PolarHBondContact OG1-NH1 3.05Å; T27-I317 HydrophobicContact CG2-CD1 3.68Å; T27-I317 HydrophobicContact CG2-CG1 4.31Å; T27-I317 HydrophobicContact CG2-CG2 4.25Å; T27-I317 WeakPolarHBondContact OG1-CD1 3.45Å |
| 28 | L | 90.9 | Very high | 92.6 | Very high | 23 Ų | 23 | 38 Ų | 38 | 12% | 0.12 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -68.5 | -38.3 | 175.7 | -67.4 | 170.8 | 0 | 0 | 0 | 112.1 | T24 L25 N26 K31 W32 I317 V320 W326 | T24-L28 HydrophobicContact CG2-CD1 3.86Å; T24-L28 HydrophobicContact CG2-CG 4.46Å; T24-L28 WeakPolarHBondContact O-CG 3.25Å; T24-L28 PolarHBondContact O-N 3.46Å; L25-L28 PolarHBondContact O-N 3.29Å; N26-L28 VanDerWaalsContact C-N 3.31Å; N26-L28 PolarHBondContact O-N 3.4Å; L28-K31 PolarHBondContact O-N 3.35Å; L28-W32 VanDerWaalsContact O-CB 3.27Å; L28-W32 WeakPolarHBondContact O-CB 3.45Å; L28-W32 PolarHBondContact O-N 3.45Å; L28-I317 HydrophobicContact CD2-CG2 4.43Å; L28-V320 HydrophobicContact CD1-CB 3.92Å; L28-V320 HydrophobicContact CD1-CG1 3.56Å; L28-V320 HydrophobicContact CD1-CG2 4.22Å; L28-V320 HydrophobicContact CD2-CB 4.18Å; L28-V320 HydrophobicContact CD2-CG1 3.91Å; L28-V320 HydrophobicContact CG-CG1 4.4Å; L28-W326 HydrophobicContact CB-CZ3 4.43Å; L28-W326 HydrophobicContact CD2-CE3 4.32Å; L28-W326 HydrophobicContact CD2-CZ3 3.75Å |
| 29 | A | 94.1 | Very high | 92.3 | Very high | 5 Ų | 5 | 40.9 Ų | 40.9 | 4% | 0.041 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.9 | -43.6 | 177 | 0 | 0 | 0 | 0 | 0 | 111.5 | L25 N26 W32 A33 P279 L283 | L25-A29 VanDerWaalsContact O-CB 3.25Å; L25-A29 WeakPolarHBondContact O-CB 3.39Å; L25-A29 PolarHBondContact O-N 3.45Å; N26-A29 PolarHBondContact O-N 2.82Å; N26-A29 VanDerWaalsContact O-N 3.15Å; A29-W32 PolarHBondContact O-N 2.92Å; A29-A33 PolarHBondContact O-N 3.34Å; A29-P279 WeakPolarHBondContact O-CB 3.33Å; A29-L283 HydrophobicContact CB-CB 4.26Å |
| 30 | A | 91.8 | Very high | 92 | Very high | 13 Ų | 13 | 43.1 Ų | 43.1 | 11% | 0.107 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.9 | -50.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | N26 W32 A33 D34 L283 | N26-A30 PolarHBondContact O-N 2.9Å; A30-W32 VanDerWaalsContact C-N 3.29Å; A30-W32 PolarHBondContact O-N 3.02Å; A30-A33 WeakPolarHBondContact O-CB 3.49Å; A30-A33 PolarHBondContact O-N 3.36Å; A30-A33 VanDerWaalsContact O-N 3.15Å; A30-D34 PolarHBondContact O-N 2.85Å; A30-L283 HydrophobicContact CB-CD1 4.19Å |
| 31 | K | 88.1 | Confident | 91.9 | Very high | 56 Ų | 56 | 46.7 Ų | 46.7 | 24% | 0.243 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.4 | -40 | 176.3 | -178.3 | 172.8 | 174.2 | 178.1 | 0 | 112.3 | T27 L28 D34 M35 S321 W326 | T27-K31 WeakPolarHBondContact O-CB 3.43Å; T27-K31 PolarHBondContact O-N 2.98Å; L28-K31 PolarHBondContact O-N 3.35Å; K31-D34 PolarHBondContact O-N 2.97Å; K31-M35 HydrophobicContact CG-SD 4.2Å; K31-M35 VanDerWaalsContact O-CG 3.32Å; K31-M35 WeakPolarHBondContact O-CG 2.96Å; K31-M35 PolarHBondContact O-N 2.96Å; K31-M35 VanDerWaalsContact O-N 3.11Å; K31-S321 PolarHBondContact NZ-OG 2.9Å; K31-W326 HydrophobicContact CB-CZ3 4.32Å; K31-W326 HydrophobicContact CD-CE3 3.61Å; K31-W326 HydrophobicContact CD-CZ3 3.97Å; K31-W326 HydrophobicContact CG-CE3 4.1Å; K31-W326 HydrophobicContact CG-CZ3 4.11Å |
| 32 | W | 90.2 | Very high | 91.7 | Very high | 95 Ų | 95 | 47.4 Ų | 47.4 | 36% | 0.36 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -65.1 | -40.7 | 178.2 | -171.2 | 18.9 | 0 | 0 | 0 | 111.6 | L28 A29 A30 M35 M36 L278 P279 W326 | L28-W32 VanDerWaalsContact O-CB 3.27Å; L28-W32 WeakPolarHBondContact O-CB 3.45Å; L28-W32 PolarHBondContact O-N 3.45Å; A29-W32 PolarHBondContact O-N 2.92Å; A30-W32 VanDerWaalsContact C-N 3.29Å; A30-W32 PolarHBondContact O-N 3.02Å; W32-M35 PolarHBondContact O-N 3.24Å; W32-M36 HydrophobicContact CD2-CE 4.27Å; W32-M36 HydrophobicContact CG-CE 4.39Å; W32-M36 HydrophobicContact CZ2-CE 3.92Å; W32-M36 WeakPolarHBondContact O-CG 3.24Å; W32-M36 PolarHBondContact O-N 3.33Å; W32-L278 HydrophobicContact CH2-CD2 3.55Å; W32-L278 HydrophobicContact CH2-CG 4.09Å; W32-L278 HydrophobicContact CZ3-CD2 3.97Å; W32-L278 HydrophobicContact CZ3-CG 4.03Å; W32-P279 HydrophobicContact CB-CB 4.09Å; W32-P279 HydrophobicContact CD2-CB 4.06Å; W32-P279 HydrophobicContact CD2-CG 4.28Å; W32-P279 HydrophobicContact CE3-CB 3.78Å; W32-P279 HydrophobicContact CE3-CG 4.29Å; W32-P279 HydrophobicContact CG-CB 4.22Å; W32-P279 HydrophobicContact CG-CG 4.47Å; W32-W326 HydrophobicContact CB-CH2 3.92Å; W32-W326 HydrophobicContact CB-CZ2 4.36Å; W32-W326 HydrophobicContact CG-CH2 4.36Å; W32-W326 HydrophobicContact CG-CZ2 4.4Å |
| 33 | A | 93.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.8 | -46.5 | 173 | 0 | 0 | 0 | 0 | 0 | 111.3 | A29 A30 M35 M36 F43 P279 I280 | A29-A33 PolarHBondContact O-N 3.34Å; A30-A33 WeakPolarHBondContact O-CB 3.49Å; A30-A33 PolarHBondContact O-N 3.36Å; A30-A33 VanDerWaalsContact O-N 3.15Å; A33-M35 PolarHBondContact O-N 3.25Å; A33-M36 WeakPolarHBondContact O-CB 3.39Å; A33-M36 PolarHBondContact O-N 3.29Å; A33-F43 HydrophobicContact CB-CD1 4.24Å; A33-F43 HydrophobicContact CB-CE1 4.44Å; A33-P279 HydrophobicContact CB-CB 4.08Å; A33-P279 HydrophobicContact CB-CG 4.12Å; A33-I280 HydrophobicContact CB-CD1 4.15Å |
| 34 | D | 89.9 | Confident | 91.2 | Very high | 70 Ų | 70 | 49.4 Ų | 49.4 | 37% | 0.374 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61.1 | -29.7 | 179.2 | -70.1 | -26.2 | 0 | 0 | 0 | 113.7 | A30 K31 M36 F43 Q49 | A30-D34 PolarHBondContact O-N 2.85Å; K31-D34 PolarHBondContact O-N 2.97Å; D34-M36 VanDerWaalsContact C-N 3.33Å; D34-F43 WeakPolarHBondContact CA-O 3.06Å; D34-Q49 PolarHBondContact OD1-NE2 3.45Å |
| 35 | M | 88.3 | Confident | 91.2 | Very high | 102 Ų | 102 | 49.3 Ų | 49.3 | 50% | 0.502 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -12.5 | 178.2 | -70.6 | 177.7 | 64.5 | 0 | 0 | 113.5 | K31 W32 A33 W326 | K31-M35 HydrophobicContact CG-SD 4.2Å; K31-M35 VanDerWaalsContact O-CG 3.32Å; K31-M35 WeakPolarHBondContact O-CG 2.96Å; K31-M35 PolarHBondContact O-N 2.96Å; K31-M35 VanDerWaalsContact O-N 3.11Å; W32-M35 PolarHBondContact O-N 3.24Å; A33-M35 PolarHBondContact O-N 3.25Å; M35-W326 HydrophobicContact CE-CD2 4.47Å; M35-W326 HydrophobicContact CE-CG 4.13Å; M35-W326 HydrophobicContact SD-CD2 3.9Å; M35-W326 HydrophobicContact SD-CE3 4.46Å; M35-W326 HydrophobicContact SD-CG 4Å; M35-W326 HydrophobicContact SD-CZ2 4.44Å |
| 36 | M | 92.4 | Very high | 90.9 | Very high | 20 Ų | 20 | 46.7 Ų | 46.7 | 10% | 0.099 | 25% | 0.245 | C | C | . | . | trans | -73.1 | 147.2 | 179.7 | -68.1 | -64.7 | -168.5 | 0 | 0 | 111.5 | W32 A33 D34 P42 F43 L275 I276 P279 | W32-M36 HydrophobicContact CD2-CE 4.27Å; W32-M36 HydrophobicContact CG-CE 4.39Å; W32-M36 HydrophobicContact CZ2-CE 3.92Å; W32-M36 WeakPolarHBondContact O-CG 3.24Å; W32-M36 PolarHBondContact O-N 3.33Å; A33-M36 WeakPolarHBondContact O-CB 3.39Å; A33-M36 PolarHBondContact O-N 3.29Å; D34-M36 VanDerWaalsContact C-N 3.33Å; M36-P42 CarbonylContact O-C 3.12Å; M36-P42 WeakPolarHBondContact O-CA 3.43Å; M36-F43 HydrophobicContact CB-CB 4.43Å; M36-F43 PolarHBondContact O-N 3.43Å; M36-L275 HydrophobicContact CE-CD2 3.68Å; M36-L275 HydrophobicContact CE-CG 3.76Å; M36-L275 HydrophobicContact SD-CD2 4.19Å; M36-I276 HydrophobicContact CB-CD1 4.24Å; M36-I276 HydrophobicContact CB-CG1 3.73Å; M36-I276 HydrophobicContact CG-CG1 4.01Å; M36-P279 HydrophobicContact CE-CG 4.37Å | ||
| 37 | Y | 91.9 | Very high | 90.9 | Very high | 145 Ų | 145 | 48 Ų | 48 | 57% | 0.569 | 25% | 0.251 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 134.4 | 178.4 | -161.8 | -99.6 | 0 | 0 | 0 | 110.6 | G40 R41 P42 N273 | Y37-G40 VanDerWaalsContact CE1-CA 3.46Å; Y37-G40 WeakPolarHBondContact OH-CA 3.45Å; Y37-G40 PolarHBondContact OH-O 3.29Å; Y37-R41 WeakPolarHBondContact CD2-O 3.42Å; Y37-R41 VanDerWaalsContact CE2-C 3.44Å; Y37-P42 HydrophobicContact CD2-CB 4.49Å; Y37-N273 PolarHBondContact O-ND2 2.98Å |
| 38 | S | 92.3 | Very high | 91.1 | Very high | 7 Ų | 7 | 46.5 Ų | 46.5 | 5% | 0.049 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 140.2 | 178.9 | -172.4 | 0 | 0 | 0 | 0 | 111.4 | G40 R41 Q269 | S38-G40 VanDerWaalsContact C-N 3.26Å; S38-G40 PolarHBondContact O-N 2.82Å; S38-R41 PolarHBondContact N-O 3.24Å; S38-R41 PolarHBondContact O-N 2.78Å; S38-Q269 PolarHBondContact O-NE2 3.1Å; S38-Q269 WeakPolarHBondContact OG-CA 3.45Å; S38-Q269 PolarHBondContact OG-O 3.39Å |
| 39 | I | 91.8 | Very high | 91.2 | Very high | 87 Ų | 87 | 45.6 Ų | 45.6 | 45% | 0.446 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.9 | 44 | -178.9 | -43.7 | 178.7 | 0 | 0 | 0 | 111.7 | R41 F265 R268 Q269 A272 | I39-R41 PolarHBondContact O-N 3.42Å; I39-F265 HydrophobicContact CB-CE2 4.43Å; I39-F265 HydrophobicContact CB-CZ 4.31Å; I39-F265 HydrophobicContact CD1-CE2 4.27Å; I39-F265 HydrophobicContact CG2-CE2 4.26Å; I39-F265 HydrophobicContact CG2-CZ 4.49Å; I39-R268 HydrophobicContact CD1-CB 3.88Å; I39-Q269 HydrophobicContact CB-CG 4.45Å; I39-Q269 HydrophobicContact CD1-CB 4.49Å; I39-Q269 HydrophobicContact CD1-CG 3.98Å; I39-Q269 HydrophobicContact CG1-CG 4.18Å; I39-A272 HydrophobicContact CD1-CB 4.19Å; I39-A272 HydrophobicContact CG1-CB 3.89Å |
| 40 | G | 89 | Confident | 91.2 | Very high | 48 Ų | 48 | 45.8 Ų | 45.8 | 50% | 0.495 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70 | 14.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y37 S38 | Y37-G40 VanDerWaalsContact CE1-CA 3.46Å; Y37-G40 WeakPolarHBondContact OH-CA 3.45Å; Y37-G40 PolarHBondContact OH-O 3.29Å; S38-G40 VanDerWaalsContact C-N 3.26Å; S38-G40 PolarHBondContact O-N 2.82Å |
| 41 | R | 89.4 | Confident | 91.4 | Very high | 92 Ų | 92 | 46.2 Ų | 46.2 | 35% | 0.347 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 154.1 | 177.5 | -61.9 | -169.4 | -174.4 | -129.6 | -3.6 | 111.2 | Y37 S38 I39 I254 Q269 | Y37-R41 WeakPolarHBondContact CD2-O 3.42Å; Y37-R41 VanDerWaalsContact CE2-C 3.44Å; S38-R41 PolarHBondContact N-O 3.24Å; S38-R41 PolarHBondContact O-N 2.78Å; I39-R41 PolarHBondContact O-N 3.42Å; R41-I254 WeakPolarHBondContact CD-O 3.16Å; R41-I254 PolarHBondContact NH1-O 2.7Å; R41-Q269 PolarHBondContact O-NE2 3.08Å |
| 42 | P | 90.7 | Very high | 91.8 | Very high | 59 Ų | 59 | 44 Ų | 44 | 38% | 0.383 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 153.2 | 168.7 | 27.1 | -31.4 | 0 | 0 | 0 | 110.4 | M36 Y37 S44 I254 Q269 | M36-P42 CarbonylContact O-C 3.12Å; M36-P42 WeakPolarHBondContact O-CA 3.43Å; Y37-P42 HydrophobicContact CD2-CB 4.49Å; P42-S44 PolarHBondContact O-N 2.81Å; P42-S44 VanDerWaalsContact O-N 3.12Å; P42-I254 HydrophobicContact CG-CD1 3.67Å; P42-I254 WeakPolarHBondContact O-CD1 3.39Å; P42-Q269 PolarHBondContact O-NE2 3.16Å |
| 43 | F | 91.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | -78.5 | 91.5 | 175.1 | -176.6 | -94.1 | 0 | 0 | 0 | 109 | A33 D34 M36 H45 L48 A266 Q269 I270 I276 I280 | A33-F43 HydrophobicContact CB-CD1 4.24Å; A33-F43 HydrophobicContact CB-CE1 4.44Å; D34-F43 WeakPolarHBondContact CA-O 3.06Å; M36-F43 HydrophobicContact CB-CB 4.43Å; M36-F43 PolarHBondContact O-N 3.43Å; F43-H45 AromaticContact CD2-CD2 3.9Å; F43-H45 HydrophobicContact CE1-CB 4.39Å; F43-H45 AromaticContact CE2-CD2 3.82Å; F43-H45 HydrophobicContact CZ-CB 4.28Å; F43-L48 HydrophobicContact CZ-CD2 4.24Å; F43-A266 HydrophobicContact CE2-CB 4.11Å; F43-Q269 HydrophobicContact CD2-CB 4.12Å; F43-I270 HydrophobicContact CE2-CD1 4.16Å; F43-I270 HydrophobicContact CE2-CG1 3.88Å; F43-I270 HydrophobicContact CZ-CD1 4.25Å; F43-I270 HydrophobicContact CZ-CG1 4.36Å; F43-I276 HydrophobicContact CB-CD1 4.26Å; F43-I276 HydrophobicContact CD1-CG2 4.21Å; F43-I276 HydrophobicContact CD2-CD1 3.95Å; F43-I276 HydrophobicContact CD2-CG2 3.97Å; F43-I276 HydrophobicContact CE1-CG2 4.22Å; F43-I276 HydrophobicContact CE2-CG2 3.96Å; F43-I276 HydrophobicContact CG-CD1 4.28Å; F43-I276 HydrophobicContact CG-CG2 4.09Å; F43-I276 HydrophobicContact CZ-CG2 4.09Å; F43-I280 HydrophobicContact CE1-CD1 3.99Å; F43-I280 HydrophobicContact CZ-CD1 4.32Å | ||
| 44 | S | 89 | Confident | 92.3 | Very high | 58 Ų | 58 | 42 Ų | 42 | 41% | 0.406 | 22% | 0.224 | S | C | . | . | trans | -120.2 | 89.3 | -178.6 | -166.8 | 0 | 0 | 0 | 0 | 110.1 | P42 | P42-S44 PolarHBondContact O-N 2.81Å; P42-S44 VanDerWaalsContact O-N 3.12Å | ||
| 45 | H | 91.9 | Very high | 92.7 | Very high | 11 Ų | 11 | 42 Ų | 42 | 5% | 0.051 | 22% | 0.223 | C | C | . | . | trans | -135.2 | 67.6 | -175.6 | -72 | -75.7 | 0 | 0 | 0 | 110.5 | F43 F47 L48 Q49 E261 N262 F265 A266 Q269 | F43-H45 AromaticContact CD2-CD2 3.9Å; F43-H45 HydrophobicContact CE1-CB 4.39Å; F43-H45 AromaticContact CE2-CD2 3.82Å; F43-H45 HydrophobicContact CZ-CB 4.28Å; H45-F47 VanDerWaalsContact C-N 3.3Å; H45-F47 PolarHBondContact O-N 2.62Å; H45-L48 HydrophobicContact CB-CB 3.87Å; H45-L48 HydrophobicContact CB-CD2 4.37Å; H45-L48 PolarHBondContact O-N 2.7Å; H45-Q49 WeakPolarHBondContact O-CG 3.37Å; H45-Q49 PolarHBondContact O-N 2.99Å; H45-E261 WeakPolarHBondContact CB-OE1 3.28Å; H45-E261 IonicContact CE1-OE1 3.09Å; H45-E261 IonicContact CG-OE1 2.7Å; H45-E261 IonicContact ND1-OE1 2.69Å; H45-E261 PolarHBondContact ND1-OE1 2.6Å; H45-N262 PolarHBondContact CE1-O 2.98Å; H45-F265 AromaticContact CE1-CD1 3.99Å; H45-F265 AromaticContact NE2-CD1 3.73Å; H45-A266 HydrophobicContact CB-CB 4.32Å; H45-Q269 PolarHBondContact CD2-OE1 2.91Å; H45-Q269 PolarHBondContact NE2-OE1 2.83Å | ||
| 46 | P | 89.9 | Confident | 93.1 | Very high | 38 Ų | 38 | 37.1 Ų | 37.1 | 25% | 0.247 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.4 | -33 | -171.5 | 25.7 | -34.5 | 0 | 0 | 0 | 113 | Q49 S50 | P46-Q49 PolarHBondContact O-N 3.4Å; P46-S50 WeakPolarHBondContact O-CB 3.44Å; P46-S50 PolarHBondContact O-N 3.15Å; P46-S50 PolarHBondContact O-OG 3Å |
| 47 | F | 92.3 | Very high | 93.3 | Very high | 40 Ų | 40 | 36.8 Ų | 36.8 | 18% | 0.175 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -77 | -33.4 | 178.6 | -59 | -73.6 | 0 | 0 | 0 | 111.8 | H45 S50 L51 M236 F243 L260 E261 | H45-F47 VanDerWaalsContact C-N 3.3Å; H45-F47 PolarHBondContact O-N 2.62Å; F47-S50 PolarHBondContact O-N 3.31Å; F47-L51 PolarHBondContact O-N 3.3Å; F47-M236 HydrophobicContact CB-CE 4.13Å; F47-M236 HydrophobicContact CD1-CE 4.05Å; F47-F243 HydrophobicContact CD1-CD2 4.04Å; F47-F243 AromaticContact CD1-CE2 3.84Å; F47-F243 HydrophobicContact CD1-CE2 3.84Å; F47-F243 AromaticContact CD2-CD2 3.84Å; F47-F243 HydrophobicContact CD2-CD2 3.84Å; F47-F243 HydrophobicContact CD2-CE2 4.24Å; F47-F243 HydrophobicContact CE1-CD2 4.01Å; F47-F243 AromaticContact CE1-CE2 3.43Å; F47-F243 HydrophobicContact CE1-CE2 3.43Å; F47-F243 VanDerWaalsContact CE1-CE2 3.43Å; F47-F243 AromaticContact CE2-CD2 3.76Å; F47-F243 HydrophobicContact CE2-CD2 3.76Å; F47-F243 AromaticContact CE2-CE2 3.84Å; F47-F243 HydrophobicContact CE2-CE2 3.84Å; F47-F243 AromaticContact CG-CD2 3.97Å; F47-F243 HydrophobicContact CG-CD2 3.97Å; F47-F243 HydrophobicContact CG-CE2 4.23Å; F47-F243 AromaticContact CZ-CD2 3.85Å; F47-F243 HydrophobicContact CZ-CD2 3.85Å; F47-F243 AromaticContact CZ-CE2 3.41Å; F47-F243 HydrophobicContact CZ-CE2 3.41Å; F47-F243 VanDerWaalsContact CZ-CE2 3.41Å; F47-L260 HydrophobicContact CE2-CD1 4.43Å; F47-L260 HydrophobicContact CE2-CG 4.18Å; F47-E261 HydrophobicContact CB-CB 4.37Å; F47-E261 HydrophobicContact CB-CG 3.86Å; F47-E261 WeakPolarHBondContact CB-OE2 2.87Å; F47-E261 HydrophobicContact CD2-CB 3.9Å; F47-E261 HydrophobicContact CD2-CG 4.21Å; F47-E261 WeakPolarHBondContact CD2-OE2 3.42Å; F47-E261 HydrophobicContact CG-CG 4.49Å; F47-E261 PolarHBondContact N-OE2 3.37Å |
| 48 | L | 94.3 | Very high | 93.6 | Very high | 8 Ų | 8 | 33.4 Ų | 33.4 | 4% | 0.042 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.5 | -43.2 | 169 | 179.2 | 59.7 | 0 | 0 | 0 | 111.5 | F43 H45 S50 L51 C52 V263 A266 | F43-L48 HydrophobicContact CZ-CD2 4.24Å; H45-L48 HydrophobicContact CB-CB 3.87Å; H45-L48 HydrophobicContact CB-CD2 4.37Å; H45-L48 PolarHBondContact O-N 2.7Å; L48-S50 VanDerWaalsContact C-N 3.29Å; L48-S50 PolarHBondContact O-N 2.86Å; L48-L51 HydrophobicContact CD1-CD2 4.34Å; L48-L51 WeakPolarHBondContact O-CB 3.17Å; L48-L51 PolarHBondContact O-N 2.97Å; L48-L51 VanDerWaalsContact O-N 3.14Å; L48-C52 PolarHBondContact O-N 3.23Å; L48-C52 PolarHBondContact O-SG 2.69Å; L48-C52 VanDerWaalsContact O-SG 3.41Å; L48-V263 HydrophobicContact CD1-CG1 3.97Å; L48-V263 HydrophobicContact CD1-CG2 4.49Å; L48-A266 HydrophobicContact CD2-CB 3.29Å |
| 49 | Q | 93.8 | Very high | 93.9 | Very high | 3 Ų | 3 | 35.3 Ų | 35.3 | 1% | 0.014 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60 | -43.6 | 175.2 | -73.3 | -179.5 | 6.7 | 0 | 0 | 110.9 | D34 H45 P46 L51 C52 M53 I280 L283 | D34-Q49 PolarHBondContact OD1-NE2 3.45Å; H45-Q49 WeakPolarHBondContact O-CG 3.37Å; H45-Q49 PolarHBondContact O-N 2.99Å; P46-Q49 PolarHBondContact O-N 3.4Å; Q49-L51 VanDerWaalsContact C-N 3.32Å; Q49-L51 PolarHBondContact O-N 2.75Å; Q49-C52 CarbonylContact O-C 3.54Å; Q49-C52 WeakPolarHBondContact O-CA 3.16Å; Q49-C52 WeakPolarHBondContact O-CB 3.41Å; Q49-C52 PolarHBondContact O-N 3.47Å; Q49-C52 VanDerWaalsContact O-N 3.08Å; Q49-M53 WeakPolarHBondContact O-CG 3.38Å; Q49-M53 PolarHBondContact O-N 3.29Å; Q49-I280 HydrophobicContact CG-CD1 4.4Å; Q49-L283 HydrophobicContact CB-CD2 4.3Å |
| 50 | S | 93.9 | Very high | 94.1 | Very high | 9 Ų | 9 | 31.3 Ų | 31.3 | 6% | 0.063 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.9 | -41.7 | 173.5 | -58.7 | 0 | 0 | 0 | 0 | 111.9 | P46 F47 L48 C52 M53 F54 | P46-S50 WeakPolarHBondContact O-CB 3.44Å; P46-S50 PolarHBondContact O-N 3.15Å; P46-S50 PolarHBondContact O-OG 3Å; F47-S50 PolarHBondContact O-N 3.31Å; L48-S50 VanDerWaalsContact C-N 3.29Å; L48-S50 PolarHBondContact O-N 2.86Å; S50-C52 PolarHBondContact O-N 3.19Å; S50-M53 VanDerWaalsContact O-CB 3.28Å; S50-M53 WeakPolarHBondContact O-CB 3.22Å; S50-M53 PolarHBondContact O-N 3.07Å; S50-M53 VanDerWaalsContact O-N 3.16Å; S50-F54 WeakPolarHBondContact O-CD2 3.15Å; S50-F54 PolarHBondContact O-N 3.05Å; S50-F54 VanDerWaalsContact O-N 3.09Å |
| 51 | L | 96 | Very high | 94.5 | Very high | 22 Ų | 22 | 30.3 Ų | 30.3 | 12% | 0.115 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.8 | -42.1 | 172.6 | 179.6 | 62.3 | 0 | 0 | 0 | 111.7 | F47 L48 Q49 M53 F54 I55 M236 | F47-L51 PolarHBondContact O-N 3.3Å; L48-L51 HydrophobicContact CD1-CD2 4.34Å; L48-L51 WeakPolarHBondContact O-CB 3.17Å; L48-L51 PolarHBondContact O-N 2.97Å; L48-L51 VanDerWaalsContact O-N 3.14Å; Q49-L51 VanDerWaalsContact C-N 3.32Å; Q49-L51 PolarHBondContact O-N 2.75Å; L51-M53 VanDerWaalsContact C-N 3.29Å; L51-M53 PolarHBondContact O-N 3.46Å; L51-F54 PolarHBondContact O-N 2.82Å; L51-I55 HydrophobicContact CG-CD1 4.15Å; L51-I55 VanDerWaalsContact O-CG1 3.3Å; L51-I55 WeakPolarHBondContact O-CG1 3.23Å; L51-I55 PolarHBondContact O-N 3.07Å; L51-M236 HydrophobicContact CB-CB 4.46Å; L51-M236 HydrophobicContact CD1-CB 4.07Å |
| 52 | C | 96.5 | Very high | 94.8 | Very high | 11 Ų | 11 | 28.6 Ų | 28.6 | 7% | 0.074 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.7 | -35.3 | 173.1 | -67.9 | 0 | 0 | 0 | 0 | 112.4 | L48 Q49 S50 I55 G56 L283 I284 | L48-C52 PolarHBondContact O-N 3.23Å; L48-C52 PolarHBondContact O-SG 2.69Å; L48-C52 VanDerWaalsContact O-SG 3.41Å; Q49-C52 CarbonylContact O-C 3.54Å; Q49-C52 WeakPolarHBondContact O-CA 3.16Å; Q49-C52 WeakPolarHBondContact O-CB 3.41Å; Q49-C52 PolarHBondContact O-N 3.47Å; Q49-C52 VanDerWaalsContact O-N 3.08Å; S50-C52 PolarHBondContact O-N 3.19Å; C52-I55 PolarHBondContact O-N 2.85Å; C52-G56 PolarHBondContact O-N 2.86Å; C52-L283 HydrophobicContact CB-CD2 4.29Å; C52-I284 HydrophobicContact CB-CD1 4.27Å; C52-I284 HydrophobicContact CB-CG1 3.9Å; C52-I284 WeakPolarHBondContact O-CG1 3.2Å |
| 53 | M | 95.8 | Very high | 95.1 | Very high | 40 Ų | 40 | 28.9 Ų | 28.9 | 20% | 0.197 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58.7 | -52.4 | 172.6 | -55.7 | -157.8 | 177.9 | 0 | 0 | 110.8 | Q49 S50 L51 I55 G56 E57 L283 I287 | Q49-M53 WeakPolarHBondContact O-CG 3.38Å; Q49-M53 PolarHBondContact O-N 3.29Å; S50-M53 VanDerWaalsContact O-CB 3.28Å; S50-M53 WeakPolarHBondContact O-CB 3.22Å; S50-M53 PolarHBondContact O-N 3.07Å; S50-M53 VanDerWaalsContact O-N 3.16Å; L51-M53 VanDerWaalsContact C-N 3.29Å; L51-M53 PolarHBondContact O-N 3.46Å; M53-I55 VanDerWaalsContact C-N 3.29Å; M53-I55 PolarHBondContact O-N 3.3Å; M53-G56 WeakPolarHBondContact O-CA 3.21Å; M53-G56 PolarHBondContact O-N 3.08Å; M53-E57 PolarHBondContact O-N 2.85Å; M53-L283 HydrophobicContact CE-CD1 4.16Å; M53-I287 HydrophobicContact CB-CD1 3.41Å; M53-I287 VanDerWaalsContact CB-CD1 3.41Å; M53-I287 HydrophobicContact CB-CG2 4.44Å; M53-I287 HydrophobicContact CE-CD1 4.31Å; M53-I287 HydrophobicContact CG-CD1 3.19Å; M53-I287 WeakPolarHBondContact O-CG2 3.36Å; M53-I287 HydrophobicContact SD-CD1 3.66Å |
| 54 | F | 97.5 | Very high | 95.2 | Very high | 11 Ų | 11 | 30.3 Ų | 30.3 | 5% | 0.048 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.1 | -30.7 | 177.9 | -69.7 | -60.3 | 0 | 0 | 0 | 113.3 | S50 L51 G56 E57 F58 T106 M110 C233 M236 | S50-F54 WeakPolarHBondContact O-CD2 3.15Å; S50-F54 PolarHBondContact O-N 3.05Å; S50-F54 VanDerWaalsContact O-N 3.09Å; L51-F54 PolarHBondContact O-N 2.82Å; F54-G56 VanDerWaalsContact C-N 3.32Å; F54-E57 WeakPolarHBondContact CD1-OE2 3.23Å; F54-E57 PolarHBondContact O-N 3.39Å; F54-F58 VanDerWaalsContact O-CB 3.23Å; F54-F58 WeakPolarHBondContact O-CB 3.15Å; F54-F58 PolarHBondContact O-N 3.31Å; F54-T106 HydrophobicContact CE1-CG2 4.39Å; F54-M110 HydrophobicContact CE1-CG 4.48Å; F54-M110 HydrophobicContact CE2-CG 3.93Å; F54-M110 HydrophobicContact CE2-SD 4.43Å; F54-M110 HydrophobicContact CZ-CG 3.49Å; F54-M110 VanDerWaalsContact CZ-CG 3.49Å; F54-M110 HydrophobicContact CZ-SD 4.25Å; F54-C233 PolarHBondContact O-SG 3.18Å; F54-C233 VanDerWaalsContact O-SG 3.32Å; F54-M236 HydrophobicContact CD2-CB 4.1Å; F54-M236 HydrophobicContact CD2-CG 3.31Å; F54-M236 HydrophobicContact CE2-CB 4.46Å; F54-M236 HydrophobicContact CE2-CG 3.26Å; F54-M236 HydrophobicContact CE2-SD 4.2Å; F54-M236 HydrophobicContact CZ-CG 4.47Å |
| 55 | I | 97.7 | Very high | 95.5 | Very high | 71 Ų | 71 | 32.2 Ų | 32.2 | 36% | 0.364 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -64 | -40.9 | 171.7 | -71 | 166.7 | 0 | 0 | 0 | 110.3 | L51 C52 M53 F58 S59 C233 I284 | L51-I55 HydrophobicContact CG-CD1 4.15Å; L51-I55 VanDerWaalsContact O-CG1 3.3Å; L51-I55 WeakPolarHBondContact O-CG1 3.23Å; L51-I55 PolarHBondContact O-N 3.07Å; C52-I55 PolarHBondContact O-N 2.85Å; M53-I55 VanDerWaalsContact C-N 3.29Å; M53-I55 PolarHBondContact O-N 3.3Å; I55-F58 PolarHBondContact O-N 3.27Å; I55-S59 PolarHBondContact O-N 2.94Å; I55-C233 PolarHBondContact N-SG 2.88Å; I55-I284 HydrophobicContact CG2-CG2 4.39Å |
| 56 | G | 97.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57.4 | -49.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | C52 M53 F54 S59 I284 A288 | C52-G56 PolarHBondContact O-N 2.86Å; M53-G56 WeakPolarHBondContact O-CA 3.21Å; M53-G56 PolarHBondContact O-N 3.08Å; F54-G56 VanDerWaalsContact C-N 3.32Å; G56-S59 WeakPolarHBondContact O-CB 3.08Å; G56-S59 PolarHBondContact O-N 3.12Å; G56-S59 PolarHBondContact O-OG 3.29Å; G56-I284 WeakPolarHBondContact CA-O 3.48Å; G56-A288 VanDerWaalsContact O-CB 3.29Å; G56-A288 WeakPolarHBondContact O-CB 3.21Å |
| 57 | E | 97.7 | Very high | 95.9 | Very high | 13 Ų | 13 | 39.2 Ų | 39.2 | 6% | 0.061 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.4 | -44.6 | 175.3 | -67.8 | 175.6 | -163.1 | 0 | 0 | 112.7 | M53 F54 S59 C60 V225 G229 I287 N291 | M53-E57 PolarHBondContact O-N 2.85Å; F54-E57 WeakPolarHBondContact CD1-OE2 3.23Å; F54-E57 PolarHBondContact O-N 3.39Å; E57-S59 PolarHBondContact O-N 3.11Å; E57-C60 WeakPolarHBondContact O-CB 3.32Å; E57-C60 PolarHBondContact O-N 2.95Å; E57-V225 HydrophobicContact CB-CG1 3.81Å; E57-V225 HydrophobicContact CG-CG1 3.91Å; E57-G229 VanDerWaalsContact CB-CA 3.49Å; E57-I287 HydrophobicContact CG-CG2 3.84Å; E57-N291 HydrophobicContact CG-CB 4.31Å; E57-N291 WeakPolarHBondContact CG-ND2 3.5Å; E57-N291 PolarHBondContact OE1-ND2 3.4Å |
| 58 | F | 97.9 | Very high | 95.8 | Very high | 73 Ų | 73 | 41.2 Ų | 41.2 | 32% | 0.32 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -60.8 | -32.3 | 179.8 | 178.7 | -123.8 | 0 | 0 | 0 | 111.9 | F54 I55 C60 L61 P62 L230 | F54-F58 VanDerWaalsContact O-CB 3.23Å; F54-F58 WeakPolarHBondContact O-CB 3.15Å; F54-F58 PolarHBondContact O-N 3.31Å; I55-F58 PolarHBondContact O-N 3.27Å; F58-C60 PolarHBondContact O-N 3.38Å; F58-C60 VanDerWaalsContact O-N 3.12Å; F58-L61 HydrophobicContact CD2-CB 4.4Å; F58-L61 HydrophobicContact CD2-CD2 4.43Å; F58-L61 HydrophobicContact CE2-CB 4.45Å; F58-L61 HydrophobicContact CE2-CD2 3.92Å; F58-L61 WeakPolarHBondContact O-CB 3.25Å; F58-L61 PolarHBondContact O-N 3.15Å; F58-P62 WeakPolarHBondContact O-CD 3.48Å; F58-L230 HydrophobicContact CD2-CB 3.76Å; F58-L230 HydrophobicContact CD2-CD1 4.16Å; F58-L230 HydrophobicContact CE2-CB 3.98Å; F58-L230 HydrophobicContact CE2-CD1 3.66Å; F58-L230 HydrophobicContact CE2-CG 4.32Å; F58-L230 HydrophobicContact CZ-CD1 4.26Å |
| 59 | S | 97 | Very high | 95.7 | Very high | 47 Ų | 47 | 47.1 Ų | 47.1 | 33% | 0.329 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -21.5 | 175 | 82.9 | 0 | 0 | 0 | 0 | 113.7 | I55 G56 E57 L61 P62 T63 | I55-S59 PolarHBondContact O-N 2.94Å; G56-S59 WeakPolarHBondContact O-CB 3.08Å; G56-S59 PolarHBondContact O-N 3.12Å; G56-S59 PolarHBondContact O-OG 3.29Å; E57-S59 PolarHBondContact O-N 3.11Å; S59-L61 VanDerWaalsContact C-N 3.3Å; S59-L61 PolarHBondContact O-N 3.14Å; S59-P62 WeakPolarHBondContact O-CD 3.35Å; S59-T63 PolarHBondContact O-N 2.88Å; S59-T63 PolarHBondContact O-OG1 3.45Å |
| 60 | C | 97.2 | Very high | 95.8 | Very high | 4 Ų | 4 | 51.9 Ų | 51.9 | 3% | 0.027 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.9 | -31.4 | 172.1 | -64.2 | 0 | 0 | 0 | 0 | 112.2 | E57 F58 T63 F64 L222 V225 | E57-C60 WeakPolarHBondContact O-CB 3.32Å; E57-C60 PolarHBondContact O-N 2.95Å; F58-C60 PolarHBondContact O-N 3.38Å; F58-C60 VanDerWaalsContact O-N 3.12Å; C60-T63 WeakPolarHBondContact O-CB 3.14Å; C60-T63 PolarHBondContact O-N 2.92Å; C60-F64 WeakPolarHBondContact O-CB 3.47Å; C60-F64 PolarHBondContact O-N 3.17Å; C60-L222 HydrophobicContact CB-CD1 3.53Å; C60-L222 HydrophobicContact CB-CG 3.95Å; C60-L222 WeakPolarHBondContact CB-O 3.3Å; C60-L222 WeakPolarHBondContact O-CG 3.14Å; C60-V225 HydrophobicContact CB-CB 4.32Å; C60-V225 HydrophobicContact CB-CG1 4.17Å |
| 61 | L | 96.5 | Very high | 95.6 | Very high | 26 Ų | 26 | 56.1 Ų | 56.1 | 14% | 0.136 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.3 | -51.9 | -177.7 | -173.4 | 67 | 0 | 0 | 0 | 112.6 | F58 S59 T63 F64 L65 L223 L227 L230 | F58-L61 HydrophobicContact CD2-CB 4.4Å; F58-L61 HydrophobicContact CD2-CD2 4.43Å; F58-L61 HydrophobicContact CE2-CB 4.45Å; F58-L61 HydrophobicContact CE2-CD2 3.92Å; F58-L61 WeakPolarHBondContact O-CB 3.25Å; F58-L61 PolarHBondContact O-N 3.15Å; S59-L61 VanDerWaalsContact C-N 3.3Å; S59-L61 PolarHBondContact O-N 3.14Å; L61-T63 VanDerWaalsContact C-N 3.27Å; L61-T63 PolarHBondContact O-N 3.12Å; L61-F64 WeakPolarHBondContact O-CB 3.34Å; L61-F64 PolarHBondContact O-N 3.32Å; L61-L65 WeakPolarHBondContact O-CG 3.29Å; L61-L65 PolarHBondContact O-N 2.65Å; L61-L223 HydrophobicContact CD1-CD1 3.62Å; L61-L227 HydrophobicContact CD1-CD2 4.45Å; L61-L230 HydrophobicContact CD2-CD2 4.43Å |
| 62 | P | 96.7 | Very high | 95.2 | Very high | 57 Ų | 57 | 58.1 Ų | 58.1 | 37% | 0.37 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -56.3 | -41.3 | 171 | -25.6 | 34.3 | 0 | 0 | 0 | 112.6 | F58 S59 F64 L65 I66 | F58-P62 WeakPolarHBondContact O-CD 3.48Å; S59-P62 WeakPolarHBondContact O-CD 3.35Å; P62-F64 VanDerWaalsContact C-N 3.32Å; P62-F64 PolarHBondContact O-N 3.37Å; P62-L65 PolarHBondContact O-N 2.85Å; P62-I66 WeakPolarHBondContact O-CB 3.41Å; P62-I66 VanDerWaalsContact O-CG1 3.25Å; P62-I66 WeakPolarHBondContact O-CG1 3.41Å; P62-I66 PolarHBondContact O-N 3.48Å |
| 63 | T | 95.7 | Very high | 94.9 | Very high | 65 Ų | 65 | 65 Ų | 65 | 40% | 0.399 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59.4 | -43.9 | 177.6 | -55.1 | 0 | 0 | 0 | 0 | 111.1 | S59 C60 L61 I66 I67 L222 | S59-T63 PolarHBondContact O-N 2.88Å; S59-T63 PolarHBondContact O-OG1 3.45Å; C60-T63 WeakPolarHBondContact O-CB 3.14Å; C60-T63 PolarHBondContact O-N 2.92Å; L61-T63 VanDerWaalsContact C-N 3.27Å; L61-T63 PolarHBondContact O-N 3.12Å; T63-I66 PolarHBondContact O-N 3.07Å; T63-I67 HydrophobicContact CG2-CD1 4.03Å; T63-I67 VanDerWaalsContact O-CG1 3.28Å; T63-I67 WeakPolarHBondContact O-CG1 3.45Å; T63-I67 PolarHBondContact O-N 3.37Å; T63-L222 HydrophobicContact CG2-CD2 3.87Å |
| 64 | F | 95.2 | Very high | 94.5 | Very high | 30 Ų | 30 | 72.2 Ų | 72.2 | 13% | 0.132 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.9 | -45.5 | 174.7 | 173.5 | -102.5 | 0 | 0 | 0 | 112.3 | C60 L61 P62 I67 K68 P220 L222 L223 | C60-F64 WeakPolarHBondContact O-CB 3.47Å; C60-F64 PolarHBondContact O-N 3.17Å; L61-F64 WeakPolarHBondContact O-CB 3.34Å; L61-F64 PolarHBondContact O-N 3.32Å; P62-F64 VanDerWaalsContact C-N 3.32Å; P62-F64 PolarHBondContact O-N 3.37Å; F64-I67 PolarHBondContact O-N 3.11Å; F64-K68 HydrophobicContact CE1-CD 4.36Å; F64-K68 HydrophobicContact CZ-CD 4.44Å; F64-K68 VanDerWaalsContact O-CB 3.3Å; F64-K68 WeakPolarHBondContact O-CB 3.33Å; F64-K68 PolarHBondContact O-N 2.93Å; F64-P220 HydrophobicContact CD2-CB 4.32Å; F64-P220 HydrophobicContact CE2-CB 3.79Å; F64-P220 HydrophobicContact CE2-CG 3.77Å; F64-P220 HydrophobicContact CZ-CG 4.21Å; F64-L222 HydrophobicContact CB-CB 4.3Å; F64-L222 HydrophobicContact CB-CD2 3.77Å; F64-L222 HydrophobicContact CB-CG 4Å; F64-L222 HydrophobicContact CD2-CB 4.45Å; F64-L223 HydrophobicContact CD1-CB 4.13Å; F64-L223 HydrophobicContact CD1-CD1 3.91Å; F64-L223 HydrophobicContact CD1-CG 4.47Å; F64-L223 HydrophobicContact CD2-CB 4.22Å; F64-L223 HydrophobicContact CE1-CB 4.11Å; F64-L223 HydrophobicContact CE1-CD1 3.9Å; F64-L223 HydrophobicContact CE1-CD2 4.01Å; F64-L223 HydrophobicContact CE1-CG 4.23Å; F64-L223 HydrophobicContact CE2-CB 4.2Å; F64-L223 HydrophobicContact CG-CB 4.18Å; F64-L223 HydrophobicContact CZ-CB 4.14Å; F64-L223 HydrophobicContact CZ-CD2 4.07Å |
| 65 | L | 94.5 | Very high | 93.7 | Very high | 97 Ų | 97 | 77.1 Ų | 77.1 | 51% | 0.508 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.3 | -40.3 | 179.3 | -66.3 | 175.8 | 0 | 0 | 0 | 112 | L61 P62 K68 Y69 | L61-L65 WeakPolarHBondContact O-CG 3.29Å; L61-L65 PolarHBondContact O-N 2.65Å; P62-L65 PolarHBondContact O-N 2.85Å; L65-K68 PolarHBondContact O-N 3.28Å; L65-Y69 VanDerWaalsContact O-CB 3.26Å; L65-Y69 WeakPolarHBondContact O-CB 3.19Å; L65-Y69 PolarHBondContact O-N 3.34Å |
| 66 | I | 96.1 | Very high | 92.8 | Very high | 100 Ų | 100 | 82.8 Ų | 82.8 | 51% | 0.513 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.3 | -49.7 | 175.7 | -69.1 | 164.9 | 0 | 0 | 0 | 110.4 | P62 T63 K68 Y69 I70 | P62-I66 WeakPolarHBondContact O-CB 3.41Å; P62-I66 VanDerWaalsContact O-CG1 3.25Å; P62-I66 WeakPolarHBondContact O-CG1 3.41Å; P62-I66 PolarHBondContact O-N 3.48Å; T63-I66 PolarHBondContact O-N 3.07Å; I66-K68 VanDerWaalsContact C-N 3.31Å; I66-K68 PolarHBondContact O-N 3.48Å; I66-Y69 PolarHBondContact O-N 3.45Å; I66-I70 HydrophobicContact CG2-CD1 3.76Å; I66-I70 HydrophobicContact CG2-CG1 4.47Å; I66-I70 VanDerWaalsContact O-CG1 3.3Å; I66-I70 WeakPolarHBondContact O-CG1 3.34Å; I66-I70 PolarHBondContact O-N 3.12Å |
| 67 | I | 93.8 | Very high | 91.8 | Very high | 97 Ų | 97 | 86 Ų | 86 | 50% | 0.497 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -59.6 | -44.2 | 177.9 | -68.9 | 168.1 | 0 | 0 | 0 | 110.5 | T63 F64 I70 R71 L222 | T63-I67 HydrophobicContact CG2-CD1 4.03Å; T63-I67 VanDerWaalsContact O-CG1 3.28Å; T63-I67 WeakPolarHBondContact O-CG1 3.45Å; T63-I67 PolarHBondContact O-N 3.37Å; F64-I67 PolarHBondContact O-N 3.11Å; I67-I70 PolarHBondContact O-N 3.03Å; I67-R71 WeakPolarHBondContact O-CB 3.11Å; I67-R71 PolarHBondContact O-N 2.79Å; I67-L222 HydrophobicContact CD1-CD2 4.04Å |
| 68 | K | 91 | Very high | 90.7 | Very high | 81 Ų | 81 | 89.5 Ų | 89.5 | 35% | 0.352 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -61.3 | -48.3 | 177.1 | -178.4 | 178.3 | 176.7 | 179.6 | 0 | 111.1 | F64 L65 I66 I70 R71 D72 | F64-K68 HydrophobicContact CE1-CD 4.36Å; F64-K68 HydrophobicContact CZ-CD 4.44Å; F64-K68 VanDerWaalsContact O-CB 3.3Å; F64-K68 WeakPolarHBondContact O-CB 3.33Å; F64-K68 PolarHBondContact O-N 2.93Å; L65-K68 PolarHBondContact O-N 3.28Å; I66-K68 VanDerWaalsContact C-N 3.31Å; I66-K68 PolarHBondContact O-N 3.48Å; K68-I70 PolarHBondContact O-N 3.41Å; K68-R71 PolarHBondContact O-N 2.83Å; K68-D72 WeakPolarHBondContact CG-OD2 3.34Å; K68-D72 WeakPolarHBondContact O-CB 3.43Å; K68-D72 PolarHBondContact O-N 2.76Å |
| 69 | Y | 92.7 | Very high | 89.2 | Confident | 132 Ų | 132 | 91 Ų | 91 | 52% | 0.518 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -60.2 | -45.1 | 179.4 | 177.1 | -102.7 | 0 | 0 | 0 | 112.5 | L65 I66 R71 D72 R73 | L65-Y69 VanDerWaalsContact O-CB 3.26Å; L65-Y69 WeakPolarHBondContact O-CB 3.19Å; L65-Y69 PolarHBondContact O-N 3.34Å; I66-Y69 PolarHBondContact O-N 3.45Å; Y69-R71 VanDerWaalsContact C-N 3.34Å; Y69-R71 PolarHBondContact O-N 3.03Å; Y69-D72 PolarHBondContact O-N 3.11Å; Y69-R73 HydrophobicContact CE1-CG 4.28Å; Y69-R73 HydrophobicContact CE2-CG 4.33Å; Y69-R73 VanDerWaalsContact CZ-NE 3.29Å; Y69-R73 WeakPolarHBondContact O-CB 3.13Å; Y69-R73 WeakPolarHBondContact O-CG 3.43Å; Y69-R73 PolarHBondContact O-N 3.31Å; Y69-R73 PolarHBondContact OH-NE 3.14Å; Y69-R73 PolarHBondContact OH-NH2 3.25Å |
| 70 | I | 94.1 | Very high | 87.6 | Confident | 104 Ų | 104 | 97.6 Ų | 97.6 | 53% | 0.533 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62.1 | -43.8 | 176.3 | -66.9 | 168.5 | 0 | 0 | 0 | 110.5 | I66 I67 K68 R73 R74 | I66-I70 HydrophobicContact CG2-CD1 3.76Å; I66-I70 HydrophobicContact CG2-CG1 4.47Å; I66-I70 VanDerWaalsContact O-CG1 3.3Å; I66-I70 WeakPolarHBondContact O-CG1 3.34Å; I66-I70 PolarHBondContact O-N 3.12Å; I67-I70 PolarHBondContact O-N 3.03Å; K68-I70 PolarHBondContact O-N 3.41Å; I70-R73 PolarHBondContact O-N 2.95Å; I70-R74 WeakPolarHBondContact O-CB 3.48Å; I70-R74 PolarHBondContact O-N 2.68Å |
| 71 | R | 89.7 | Confident | 86.2 | Confident | 98 Ų | 98 | 103.4 Ų | 103.4 | 37% | 0.37 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.3 | -45.2 | 178.3 | -171.9 | -178.5 | 71.7 | 162.1 | 0.7 | 111.9 | I67 K68 Y69 R73 R74 K75 | I67-R71 WeakPolarHBondContact O-CB 3.11Å; I67-R71 PolarHBondContact O-N 2.79Å; K68-R71 PolarHBondContact O-N 2.83Å; Y69-R71 VanDerWaalsContact C-N 3.34Å; Y69-R71 PolarHBondContact O-N 3.03Å; R71-R73 VanDerWaalsContact C-N 3.34Å; R71-R74 PolarHBondContact O-N 3Å; R71-K75 WeakPolarHBondContact O-CG 3.43Å; R71-K75 PolarHBondContact O-N 3.26Å |
| 72 | D | 88.2 | Confident | 84.6 | Confident | 64 Ų | 64 | 105.4 Ų | 105.4 | 34% | 0.342 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.3 | -36.2 | -178.5 | -65.6 | -8.1 | 0 | 0 | 0 | 110.8 | K68 Y69 R76 | K68-D72 WeakPolarHBondContact CG-OD2 3.34Å; K68-D72 WeakPolarHBondContact O-CB 3.43Å; K68-D72 PolarHBondContact O-N 2.76Å; Y69-D72 PolarHBondContact O-N 3.11Å; D72-R76 WeakPolarHBondContact O-CB 3.36Å; D72-R76 PolarHBondContact O-N 3.46Å |
| 73 | R | 89.3 | Confident | 82.5 | Confident | 156 Ų | 156 | 109.8 Ų | 109.8 | 59% | 0.589 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.5 | -46.6 | 170.6 | -79.4 | -130.7 | 177.7 | -160.9 | 0.1 | 112.5 | Y69 I70 R71 K75 R76 S77 | Y69-R73 HydrophobicContact CE1-CG 4.28Å; Y69-R73 HydrophobicContact CE2-CG 4.33Å; Y69-R73 VanDerWaalsContact CZ-NE 3.29Å; Y69-R73 WeakPolarHBondContact O-CB 3.13Å; Y69-R73 WeakPolarHBondContact O-CG 3.43Å; Y69-R73 PolarHBondContact O-N 3.31Å; Y69-R73 PolarHBondContact OH-NE 3.14Å; Y69-R73 PolarHBondContact OH-NH2 3.25Å; I70-R73 PolarHBondContact O-N 2.95Å; R71-R73 VanDerWaalsContact C-N 3.34Å; R73-K75 VanDerWaalsContact C-N 3.33Å; R73-K75 PolarHBondContact O-N 3.45Å; R73-R76 PolarHBondContact O-N 2.98Å; R73-S77 PolarHBondContact O-N 3.48Å; R73-S77 PolarHBondContact O-OG 3.48Å |
| 74 | R | 87.9 | Confident | 80.3 | Confident | 190 Ų | 190 | 115.7 Ų | 115.7 | 72% | 0.717 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -64 | -38.5 | 179.2 | -173.1 | 177.2 | -178.9 | 177.8 | 0.9 | 111.9 | I70 R71 S77 V78 | I70-R74 WeakPolarHBondContact O-CB 3.48Å; I70-R74 PolarHBondContact O-N 2.68Å; R71-R74 PolarHBondContact O-N 3Å; R74-S77 WeakPolarHBondContact CA-OG 3.28Å; R74-S77 PolarHBondContact O-N 2.88Å; R74-S77 PolarHBondContact O-OG 3.21Å; R74-V78 WeakPolarHBondContact O-CG2 3.16Å; R74-V78 PolarHBondContact O-N 2.94Å |
| 75 | K | 80.6 | Confident | 78.1 | Confident | 115 Ų | 115 | 120.2 Ų | 120.2 | 50% | 0.5 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -64 | -49.8 | 174.2 | -75.9 | -174.2 | 172.7 | -159.2 | 0 | 111.4 | R71 R73 S77 V78 D79 | R71-K75 WeakPolarHBondContact O-CG 3.43Å; R71-K75 PolarHBondContact O-N 3.26Å; R73-K75 VanDerWaalsContact C-N 3.33Å; R73-K75 PolarHBondContact O-N 3.45Å; K75-S77 PolarHBondContact O-N 2.88Å; K75-V78 WeakPolarHBondContact O-CA 3.37Å; K75-V78 PolarHBondContact O-N 3.49Å; K75-D79 VanDerWaalsContact O-CG 3.27Å; K75-D79 PolarHBondContact O-N 3.32Å |
| 76 | R | 79.6 | Confident | 75.6 | Confident | 190 Ų | 190 | 123.6 Ų | 123.6 | 72% | 0.717 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -56.9 | -36.3 | 177.3 | -168.9 | -178 | -64.5 | 174.6 | -1.3 | 113 | D72 R73 F80 | D72-R76 WeakPolarHBondContact O-CB 3.36Å; D72-R76 PolarHBondContact O-N 3.46Å; R73-R76 PolarHBondContact O-N 2.98Å; R76-F80 WeakPolarHBondContact O-CB 3.46Å; R76-F80 PolarHBondContact O-N 3.27Å; R76-F80 VanDerWaalsContact O-N 3.15Å |
| 77 | S | 76.7 | Confident | 73.2 | Confident | 68 Ų | 68 | 126.9 Ų | 126.9 | 48% | 0.476 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -70.7 | -28.7 | 174.7 | 56.1 | 0 | 0 | 0 | 0 | 114 | R73 R74 K75 V81 | R73-S77 PolarHBondContact O-N 3.48Å; R73-S77 PolarHBondContact O-OG 3.48Å; R74-S77 WeakPolarHBondContact CA-OG 3.28Å; R74-S77 PolarHBondContact O-N 2.88Å; R74-S77 PolarHBondContact O-OG 3.21Å; K75-S77 PolarHBondContact O-N 2.88Å; S77-V81 WeakPolarHBondContact O-CG2 3.22Å |
| 78 | V | 73.6 | Confident | 70.8 | Confident | 86 Ų | 86 | 128.2 Ų | 128.2 | 52% | 0.521 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -78.4 | -44.7 | 175.6 | 172.7 | 0 | 0 | 0 | 0 | 110.2 | R74 K75 F80 V81 S82 | R74-V78 WeakPolarHBondContact O-CG2 3.16Å; R74-V78 PolarHBondContact O-N 2.94Å; K75-V78 WeakPolarHBondContact O-CA 3.37Å; K75-V78 PolarHBondContact O-N 3.49Å; V78-F80 PolarHBondContact O-N 3.4Å; V78-V81 PolarHBondContact O-N 3.17Å; V78-S82 PolarHBondContact O-N 3.42Å; V78-S82 VanDerWaalsContact O-N 3.13Å; V78-S82 PolarHBondContact O-OG 3.3Å |
| 79 | D | 66.3 | Low | 68.7 | Low | 105 Ų | 105 | 128.7 Ų | 128.7 | 56% | 0.561 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -61.1 | -32.2 | 178.5 | -59 | -23.5 | 0 | 0 | 0 | 111.8 | K75 V81 S82 | K75-D79 VanDerWaalsContact O-CG 3.27Å; K75-D79 PolarHBondContact O-N 3.32Å; D79-V81 VanDerWaalsContact C-N 3.29Å; D79-V81 PolarHBondContact O-N 2.93Å; D79-S82 WeakPolarHBondContact CA-OG 3.33Å; D79-S82 PolarHBondContact O-N 3.01Å; D79-S82 PolarHBondContact O-OG 2.96Å |
| 80 | F | 64.1 | Low | 66.6 | Low | 185 Ų | 185 | 125.8 Ų | 125.8 | 81% | 0.811 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | -20.8 | 174.3 | -171.2 | -97 | 0 | 0 | 0 | 113.8 | R76 V78 | R76-F80 WeakPolarHBondContact O-CB 3.46Å; R76-F80 PolarHBondContact O-N 3.27Å; R76-F80 VanDerWaalsContact O-N 3.15Å; V78-F80 PolarHBondContact O-N 3.4Å |
| 81 | V | 68.5 | Low | 64.5 | Low | 126 Ų | 126 | 127.9 Ų | 127.9 | 76% | 0.764 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -28.9 | 176.4 | 175.4 | 0 | 0 | 0 | 0 | 111.2 | S77 V78 D79 D83 | S77-V81 WeakPolarHBondContact O-CG2 3.22Å; V78-V81 PolarHBondContact O-N 3.17Å; D79-V81 VanDerWaalsContact C-N 3.29Å; D79-V81 PolarHBondContact O-N 2.93Å; V81-D83 PolarHBondContact O-N 3.47Å |
| 82 | S | 62.8 | Low | 62.8 | Low | 68 Ų | 68 | 126.7 Ų | 126.7 | 48% | 0.476 | 65% | 0.646 | S | S | . | * | S | Bend | trans | -90.1 | 79.7 | 173.6 | 54 | 0 | 0 | 0 | 0 | 110.8 | V78 D79 | V78-S82 PolarHBondContact O-N 3.42Å; V78-S82 VanDerWaalsContact O-N 3.13Å; V78-S82 PolarHBondContact O-OG 3.3Å; D79-S82 WeakPolarHBondContact CA-OG 3.33Å; D79-S82 PolarHBondContact O-N 3.01Å; D79-S82 PolarHBondContact O-OG 2.96Å |
| 83 | D | 52.6 | Low | 61.3 | Low | 149 Ų | 149 | 132 Ų | 132 | 80% | 0.797 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.3 | 141.5 | 165.2 | -110 | -27 | 0 | 0 | 0 | 110.7 | V81 | V81-D83 PolarHBondContact O-N 3.47Š|
| 84 | E | 49.1 | Very low | 60.2 | Low | 189 Ų | 189 | 127.8 Ų | 127.8 | 88% | 0.883 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 76.8 | 27.2 | 164 | -58.6 | -155.6 | 143.2 | 0 | 0 | 121.8 | ||
| 85 | T | 48.6 | Very low | 59.5 | Low | 125 Ų | 125 | 121.7 Ų | 121.7 | 77% | 0.767 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -116.4 | 116.6 | 154.2 | -34.2 | 0 | 0 | 0 | 0 | 110.7 | ||
| 86 | Q | 42.9 | Very low | 59.5 | Low | 168 Ų | 168 | 126.2 Ų | 126.2 | 79% | 0.785 | 66% | 0.657 | S | S | * | * | trans | -12.7 | 128 | 168.1 | -66.1 | 178.7 | -11.8 | 0 | 0 | 113.9 | D88 | Q86-D88 PolarHBondContact O-N 3.33Š| ||
| 87 | L | 45.4 | Very low | 59.9 | Low | 168 Ų | 168 | 119.7 Ų | 119.7 | 88% | 0.88 | 63% | 0.634 | S | S | * | * | trans | -38 | 71 | 163.6 | -171.7 | 73.4 | 0 | 0 | 0 | 112.7 | S89 | L87-S89 PolarHBondContact O-N 3.23Š| ||
| 88 | D | 43.7 | Very low | 60.6 | Low | 125 Ų | 125 | 121.3 Ų | 121.3 | 67% | 0.668 | 64% | 0.637 | S | S | * | * | trans | -75.9 | 86.3 | 170.7 | -95.5 | -11.2 | 0 | 0 | 0 | 106.3 | Q86 S90 | Q86-D88 PolarHBondContact O-N 3.33Å; D88-S90 PolarHBondContact O-N 2.87Å; D88-S90 PolarHBondContact O-OG 2.88Å | ||
| 89 | S | 46.6 | Very low | 61.5 | Low | 91 Ų | 91 | 120.3 Ų | 120.3 | 64% | 0.636 | 63% | 0.631 | S | S | * | * | trans | -55 | 32.3 | 152.6 | 55.7 | 0 | 0 | 0 | 0 | 113.6 | L87 L91 | L87-S89 PolarHBondContact O-N 3.23Å; S89-L91 PolarHBondContact O-N 3.39Å | ||
| 90 | S | 47.6 | Very low | 62.9 | Low | 72 Ų | 72 | 119.8 Ų | 119.8 | 50% | 0.503 | 63% | 0.628 | S | S | . | * | trans | -68 | 19.3 | 159.9 | 62.4 | 0 | 0 | 0 | 0 | 112.2 | D88 D92 | D88-S90 PolarHBondContact O-N 2.87Å; D88-S90 PolarHBondContact O-OG 2.88Å; S90-D92 PolarHBondContact O-N 3.27Å | ||
| 91 | L | 50.8 | Low | 64.4 | Low | 147 Ų | 147 | 112.1 Ų | 112.1 | 77% | 0.77 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.6 | 91.9 | -180 | -71.5 | 166.6 | 0 | 0 | 0 | 110.5 | S89 | S89-L91 PolarHBondContact O-N 3.39Š|
| 92 | D | 54.3 | Low | 65.7 | Low | 74 Ų | 74 | 106.1 Ų | 106.1 | 40% | 0.396 | 56% | 0.559 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 55.8 | 74.4 | 175.3 | -146.8 | 10.8 | 0 | 0 | 0 | 111.6 | S90 R94 | S90-D92 PolarHBondContact O-N 3.27Å; D92-R94 VanDerWaalsContact CG-NE 3.3Å; D92-R94 PolarHBondContact O-N 2.88Å; D92-R94 IonicContact OD1-CZ 3.37Å; D92-R94 IonicContact OD1-NE 3.16Å; D92-R94 PolarHBondContact OD1-NE 2.74Å; D92-R94 IonicContact OD1-NH2 2.73Å; D92-R94 PolarHBondContact OD1-NH2 3.47Å; D92-R94 IonicContact OD2-CZ 3.22Å; D92-R94 IonicContact OD2-NE 2.64Å; D92-R94 PolarHBondContact OD2-NE 3.46Å; D92-R94 VanDerWaalsContact OD2-NE 3.16Å; D92-R94 IonicContact OD2-NH2 2.96Å; D92-R94 PolarHBondContact OD2-NH2 3.04Å |
| 93 | E | 55.7 | Low | 67.3 | Low | 175 Ų | 175 | 105.1 Ų | 105.1 | 82% | 0.818 | 55% | 0.548 | S | S | * | . | trans | -51.3 | -0.8 | 173 | -64.1 | -175.7 | 160.5 | 0 | 0 | 114.9 | P95 | E93-P95 WeakPolarHBondContact O-CD 3.34Š| ||
| 94 | R | 68 | Low | 69.4 | Low | 68 Ų | 68 | 100.6 Ų | 100.6 | 26% | 0.257 | 53% | 0.527 | S | S | . | . | S | Bend | trans | -59.8 | 123.8 | 173.2 | -74 | -172.6 | -79.8 | -123.5 | -9.1 | 109.5 | D92 K96 N218 | D92-R94 VanDerWaalsContact CG-NE 3.3Å; D92-R94 PolarHBondContact O-N 2.88Å; D92-R94 IonicContact OD1-CZ 3.37Å; D92-R94 IonicContact OD1-NE 3.16Å; D92-R94 PolarHBondContact OD1-NE 2.74Å; D92-R94 IonicContact OD1-NH2 2.73Å; D92-R94 PolarHBondContact OD1-NH2 3.47Å; D92-R94 IonicContact OD2-CZ 3.22Å; D92-R94 IonicContact OD2-NE 2.64Å; D92-R94 PolarHBondContact OD2-NE 3.46Å; D92-R94 VanDerWaalsContact OD2-NE 3.16Å; D92-R94 IonicContact OD2-NH2 2.96Å; D92-R94 PolarHBondContact OD2-NH2 3.04Å; R94-K96 PolarHBondContact O-N 2.9Å; R94-N218 WeakPolarHBondContact CD-O 3.49Å |
| 95 | P | 72.5 | Confident | 71.7 | Confident | 62 Ų | 62 | 91.6 Ų | 91.6 | 40% | 0.403 | 49% | 0.485 | S | S | . | . | P | Polyproline II helix | trans | -58 | 132.3 | 177.1 | 23.7 | -34.5 | 0 | 0 | 0 | 110.3 | E93 F97 Y217 | E93-P95 WeakPolarHBondContact O-CD 3.34Å; P95-F97 PolarHBondContact O-N 2.83Å; P95-Y217 HydrophobicContact CB-CD1 3.88Å; P95-Y217 HydrophobicContact CB-CE1 4.39Å; P95-Y217 HydrophobicContact CG-CD1 3.71Å; P95-Y217 HydrophobicContact CG-CG 4.43Å |
| 96 | K | 80.2 | Confident | 73.9 | Confident | 210 Ų | 210 | 85.8 Ų | 85.8 | 91% | 0.913 | 45% | 0.449 | S | S | * | . | P | Polyproline II helix | trans | -59.2 | 132.8 | 173.9 | -65.2 | -179.1 | -177.8 | 176.4 | 0 | 108.8 | R94 | R94-K96 PolarHBondContact O-N 2.9Š|
| 97 | F | 88.4 | Confident | 76.5 | Confident | 52 Ų | 52 | 81.4 Ų | 81.4 | 23% | 0.228 | 43% | 0.431 | C | S | . | . | trans | -127.3 | 154.8 | 176.6 | 69.2 | -88.4 | 0 | 0 | 0 | 110.1 | P95 I101 F102 Y217 V219 L223 L227 | P95-F97 PolarHBondContact O-N 2.83Å; F97-I101 HydrophobicContact CD2-CG2 3.93Å; F97-I101 HydrophobicContact CE2-CG2 4.49Å; F97-F102 HydrophobicContact CD2-CE2 4.1Å; F97-F102 HydrophobicContact CE2-CD2 4.08Å; F97-F102 AromaticContact CE2-CE2 3.55Å; F97-F102 HydrophobicContact CE2-CE2 3.55Å; F97-F102 HydrophobicContact CZ-CE2 4.15Å; F97-Y217 HydrophobicContact CB-CD1 3.63Å; F97-Y217 HydrophobicContact CB-CD2 3.96Å; F97-Y217 HydrophobicContact CB-CE1 3.9Å; F97-Y217 HydrophobicContact CB-CE2 4.19Å; F97-Y217 HydrophobicContact CB-CG 3.69Å; F97-Y217 HydrophobicContact CG-CG 4.36Å; F97-V219 HydrophobicContact CD1-CG2 4.04Å; F97-V219 HydrophobicContact CE1-CB 4.44Å; F97-V219 HydrophobicContact CE1-CG1 3.83Å; F97-V219 HydrophobicContact CE1-CG2 3.81Å; F97-V219 HydrophobicContact CZ-CG1 3.67Å; F97-V219 HydrophobicContact CZ-CG2 4.14Å; F97-L223 HydrophobicContact CE1-CD2 4.3Å; F97-L223 HydrophobicContact CZ-CD2 3.87Å; F97-L227 HydrophobicContact CE2-CD1 4.19Å; F97-L227 HydrophobicContact CZ-CD1 4.41Å | ||
| 98 | N | 91.4 | Very high | 79 | Confident | 102 Ų | 102 | 75.3 Ų | 75.3 | 55% | 0.545 | 40% | 0.402 | S | S | . | . | trans | -79.3 | 127.2 | 173.8 | -175.3 | -1.9 | 0 | 0 | 0 | 109.4 | L100 I101 | N98-L100 PolarHBondContact O-N 3.4Å; N98-L100 VanDerWaalsContact O-N 3.16Å; N98-L100 PolarHBondContact OD1-N 2.97Å; N98-I101 VanDerWaalsContact O-CB 3.23Å; N98-I101 WeakPolarHBondContact O-CB 3.14Å; N98-I101 WeakPolarHBondContact O-CG2 3.18Å; N98-I101 PolarHBondContact O-N 3.36Å | ||
| 99 | V | 92.9 | Very high | 81.4 | Confident | 66 Ų | 66 | 71.5 Ų | 71.5 | 40% | 0.4 | 38% | 0.381 | S | S | . | . | G | 310 helix | trans | -55.7 | -32.9 | 178.8 | 179.6 | 0 | 0 | 0 | 0 | 112.2 | I101 F102 L227 F231 | V99-I101 PolarHBondContact O-N 3.33Å; V99-F102 PolarHBondContact O-N 3.41Å; V99-L227 HydrophobicContact CG1-CD1 3.85Å; V99-L227 HydrophobicContact CG1-CD2 3.4Å; V99-L227 VanDerWaalsContact CG1-CD2 3.4Å; V99-L227 HydrophobicContact CG1-CG 4.13Å; V99-F231 HydrophobicContact CG1-CE2 4.16Å; V99-F231 HydrophobicContact CG1-CZ 3.87Å; V99-F231 WeakPolarHBondContact O-CE2 3.5Å |
| 100 | L | 95 | Very high | 83.7 | Confident | 94 Ų | 94 | 67.9 Ų | 67.9 | 49% | 0.492 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -62.2 | -10.7 | 177.5 | -69.8 | 166.7 | 0 | 0 | 0 | 114.1 | N98 F102 L103 P104 F231 | N98-L100 PolarHBondContact O-N 3.4Å; N98-L100 VanDerWaalsContact O-N 3.16Å; N98-L100 PolarHBondContact OD1-N 2.97Å; L100-F102 PolarHBondContact O-N 3.19Å; L100-L103 HydrophobicContact CD2-CD2 4.14Å; L100-L103 WeakPolarHBondContact O-CB 3.38Å; L100-L103 PolarHBondContact O-N 3.28Å; L100-P104 VanDerWaalsContact O-CD 3.31Å; L100-P104 WeakPolarHBondContact O-CD 3.14Å; L100-F231 HydrophobicContact CD2-CE1 4.35Å; L100-F231 HydrophobicContact CD2-CZ 4.32Å |
| 101 | I | 95.6 | Very high | 86 | Confident | 24 Ų | 24 | 67.8 Ų | 67.8 | 12% | 0.123 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -64.9 | -25 | 178.5 | -155.4 | 166.3 | 0 | 0 | 0 | 113.2 | F97 N98 V99 P104 Y209 F213 Y217 | F97-I101 HydrophobicContact CD2-CG2 3.93Å; F97-I101 HydrophobicContact CE2-CG2 4.49Å; N98-I101 VanDerWaalsContact O-CB 3.23Å; N98-I101 WeakPolarHBondContact O-CB 3.14Å; N98-I101 WeakPolarHBondContact O-CG2 3.18Å; N98-I101 PolarHBondContact O-N 3.36Å; V99-I101 PolarHBondContact O-N 3.33Å; I101-P104 WeakPolarHBondContact O-CD 3.34Å; I101-Y209 WeakPolarHBondContact O-CE1 3.34Å; I101-Y209 PolarHBondContact O-OH 3.05Å; I101-F213 HydrophobicContact CD1-CB 4.25Å; I101-F213 HydrophobicContact CD1-CD1 3.21Å; I101-F213 HydrophobicContact CD1-CD2 4.22Å; I101-F213 HydrophobicContact CD1-CE1 3.41Å; I101-F213 VanDerWaalsContact CD1-CE1 3.41Å; I101-F213 HydrophobicContact CD1-CE2 4.41Å; I101-F213 HydrophobicContact CD1-CG 3.63Å; I101-F213 HydrophobicContact CD1-CZ 4.02Å; I101-F213 HydrophobicContact CG1-CD1 4.03Å; I101-F213 HydrophobicContact CG1-CD2 4.15Å; I101-F213 HydrophobicContact CG1-CE1 4.17Å; I101-F213 HydrophobicContact CG1-CE2 4.32Å; I101-F213 HydrophobicContact CG1-CG 3.98Å; I101-F213 HydrophobicContact CG1-CZ 4.3Å; I101-Y217 HydrophobicContact CD1-CD2 4.29Å; I101-Y217 HydrophobicContact CD1-CE2 3.62Å |
| 102 | F | 95.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -89.9 | -11.6 | 178.3 | -67.6 | -70.4 | 0 | 0 | 0 | 113.1 | F97 V99 L100 A105 T106 V214 V219 V224 L227 E228 | F97-F102 HydrophobicContact CD2-CE2 4.1Å; F97-F102 HydrophobicContact CE2-CD2 4.08Å; F97-F102 AromaticContact CE2-CE2 3.55Å; F97-F102 HydrophobicContact CE2-CE2 3.55Å; F97-F102 HydrophobicContact CZ-CE2 4.15Å; V99-F102 PolarHBondContact O-N 3.41Å; L100-F102 PolarHBondContact O-N 3.19Å; F102-A105 WeakPolarHBondContact O-CB 3.09Å; F102-A105 PolarHBondContact O-N 3.27Å; F102-A105 VanDerWaalsContact O-N 3.17Å; F102-T106 PolarHBondContact O-N 3.32Å; F102-T106 VanDerWaalsContact O-N 3.09Å; F102-T106 PolarHBondContact O-OG1 3.18Å; F102-V214 HydrophobicContact CE1-CG2 4.01Å; F102-V214 HydrophobicContact CZ-CG2 4.29Å; F102-V219 HydrophobicContact CE2-CG1 4.28Å; F102-V219 HydrophobicContact CE2-CG2 4.39Å; F102-V219 HydrophobicContact CZ-CB 4.35Å; F102-V219 HydrophobicContact CZ-CG1 4.28Å; F102-V219 HydrophobicContact CZ-CG2 4.07Å; F102-V224 HydrophobicContact CD1-CG1 3.82Å; F102-V224 HydrophobicContact CE1-CB 4.34Å; F102-V224 HydrophobicContact CE1-CG1 3.58Å; F102-V224 HydrophobicContact CE1-CG2 4.05Å; F102-V224 HydrophobicContact CE2-CG2 4.4Å; F102-V224 HydrophobicContact CZ-CB 4.42Å; F102-V224 HydrophobicContact CZ-CG1 4.13Å; F102-V224 HydrophobicContact CZ-CG2 3.77Å; F102-L227 HydrophobicContact CD2-CD1 3.97Å; F102-L227 HydrophobicContact CE2-CD1 4.44Å; F102-E228 HydrophobicContact CB-CG 4.25Å |
| 103 | L | 96.5 | Very high | 89.9 | Confident | 47 Ų | 47 | 58.6 Ų | 58.6 | 25% | 0.246 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.4 | -43.8 | 177 | 177 | 66.6 | 0 | 0 | 0 | 113 | L100 A105 T106 L107 F231 L235 | L100-L103 HydrophobicContact CD2-CD2 4.14Å; L100-L103 WeakPolarHBondContact O-CB 3.38Å; L100-L103 PolarHBondContact O-N 3.28Å; L103-A105 VanDerWaalsContact C-N 3.28Å; L103-A105 PolarHBondContact O-N 3.02Å; L103-T106 PolarHBondContact O-N 3.01Å; L103-L107 HydrophobicContact CD1-CD1 4.49Å; L103-L107 HydrophobicContact CD1-CG 4.34Å; L103-L107 HydrophobicContact CG-CD1 4.18Å; L103-L107 HydrophobicContact CG-CG 4.48Å; L103-L107 WeakPolarHBondContact O-CG 3.44Å; L103-L107 PolarHBondContact O-N 3.21Å; L103-F231 HydrophobicContact CB-CD2 4.24Å; L103-F231 HydrophobicContact CB-CE2 4.19Å; L103-F231 HydrophobicContact CB-CG 4.45Å; L103-F231 HydrophobicContact CB-CZ 4.33Å; L103-F231 HydrophobicContact CD1-CB 4.01Å; L103-F231 HydrophobicContact CD1-CD1 3.94Å; L103-F231 HydrophobicContact CD1-CD2 4.5Å; L103-F231 HydrophobicContact CD1-CG 3.92Å; L103-L235 HydrophobicContact CD1-CD1 4.04Å |
| 104 | P | 97.3 | Very high | 91.6 | Very high | 53 Ų | 53 | 52.8 Ų | 52.8 | 34% | 0.344 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -58.3 | -37.8 | 174 | -26.9 | 35.9 | 0 | 0 | 0 | 113.6 | L100 I101 L107 C108 Y209 | L100-P104 VanDerWaalsContact O-CD 3.31Å; L100-P104 WeakPolarHBondContact O-CD 3.14Å; I101-P104 WeakPolarHBondContact O-CD 3.34Å; P104-L107 PolarHBondContact O-N 3.29Å; P104-C108 WeakPolarHBondContact O-CB 3.39Å; P104-C108 PolarHBondContact O-N 3.36Å; P104-C108 PolarHBondContact O-SG 2.74Å; P104-C108 VanDerWaalsContact O-SG 3.33Å; P104-Y209 HydrophobicContact CB-CE1 4.45Å |
| 105 | A | 96.1 | Very high | 92.9 | Very high | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.008 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.1 | -46.5 | 177 | 0 | 0 | 0 | 0 | 0 | 110.7 | F102 L103 L107 C108 D109 Q206 Y209 E210 | F102-A105 WeakPolarHBondContact O-CB 3.09Å; F102-A105 PolarHBondContact O-N 3.27Å; F102-A105 VanDerWaalsContact O-N 3.17Å; L103-A105 VanDerWaalsContact C-N 3.28Å; L103-A105 PolarHBondContact O-N 3.02Å; A105-L107 PolarHBondContact O-N 3.16Å; A105-C108 WeakPolarHBondContact O-CB 3.31Å; A105-C108 PolarHBondContact O-N 2.73Å; A105-D109 PolarHBondContact O-N 3.25Å; A105-Q206 HydrophobicContact CB-CG 4.14Å; A105-Y209 HydrophobicContact CB-CD1 4.15Å; A105-Y209 HydrophobicContact CB-CE1 4.35Å; A105-E210 HydrophobicContact CB-CG 3.87Å |
| 106 | T | 96.4 | Very high | 93.8 | Very high | 2 Ų | 2 | 49.3 Ų | 49.3 | 1% | 0.012 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.4 | -42.6 | 174.3 | -49.3 | 0 | 0 | 0 | 0 | 112.5 | F54 F102 L103 C108 D109 M110 E228 F231 | F54-T106 HydrophobicContact CE1-CG2 4.39Å; F102-T106 PolarHBondContact O-N 3.32Å; F102-T106 VanDerWaalsContact O-N 3.09Å; F102-T106 PolarHBondContact O-OG1 3.18Å; L103-T106 PolarHBondContact O-N 3.01Å; T106-C108 VanDerWaalsContact C-N 3.35Å; T106-C108 PolarHBondContact O-N 2.64Å; T106-D109 PolarHBondContact O-N 3.36Å; T106-M110 HydrophobicContact CG2-CG 4.43Å; T106-M110 HydrophobicContact CG2-SD 4.04Å; T106-M110 WeakPolarHBondContact O-CB 3.35Å; T106-M110 VanDerWaalsContact O-CG 3.27Å; T106-M110 WeakPolarHBondContact O-CG 3.43Å; T106-M110 PolarHBondContact O-N 2.93Å; T106-E228 WeakPolarHBondContact OG1-CA 3.19Å; T106-F231 HydrophobicContact CG2-CB 3.98Å |
| 107 | L | 97.2 | Very high | 94.1 | Very high | 77 Ų | 77 | 42.9 Ų | 42.9 | 40% | 0.403 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63.8 | -40.6 | 177.1 | -71.7 | 170.7 | 0 | 0 | 0 | 111.9 | L103 P104 A105 T111 L235 | L103-L107 HydrophobicContact CD1-CD1 4.49Å; L103-L107 HydrophobicContact CD1-CG 4.34Å; L103-L107 HydrophobicContact CG-CD1 4.18Å; L103-L107 HydrophobicContact CG-CG 4.48Å; L103-L107 WeakPolarHBondContact O-CG 3.44Å; L103-L107 PolarHBondContact O-N 3.21Å; P104-L107 PolarHBondContact O-N 3.29Å; A105-L107 PolarHBondContact O-N 3.16Å; L107-T111 VanDerWaalsContact O-CB 3.23Å; L107-T111 WeakPolarHBondContact O-CB 3.49Å; L107-T111 PolarHBondContact O-N 3.09Å; L107-T111 PolarHBondContact O-OG1 3.34Å; L107-L235 HydrophobicContact CD2-CD1 3.74Å; L107-L235 HydrophobicContact CG-CD1 4.45Å |
| 108 | C | 97.2 | Very high | 94.1 | Very high | 40 Ų | 40 | 43.5 Ų | 43.5 | 27% | 0.27 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.5 | -45.8 | 174.5 | -74.4 | 0 | 0 | 0 | 0 | 111.7 | P104 A105 T106 T111 A112 I202 Q206 | P104-C108 WeakPolarHBondContact O-CB 3.39Å; P104-C108 PolarHBondContact O-N 3.36Å; P104-C108 PolarHBondContact O-SG 2.74Å; P104-C108 VanDerWaalsContact O-SG 3.33Å; A105-C108 WeakPolarHBondContact O-CB 3.31Å; A105-C108 PolarHBondContact O-N 2.73Å; T106-C108 VanDerWaalsContact C-N 3.35Å; T106-C108 PolarHBondContact O-N 2.64Å; C108-T111 PolarHBondContact O-N 3.17Å; C108-A112 VanDerWaalsContact O-CB 3.24Å; C108-A112 WeakPolarHBondContact O-CB 3.23Å; C108-A112 PolarHBondContact O-N 3.16Å; C108-I202 HydrophobicContact CB-CG2 3.72Å; C108-I202 VanDerWaalsContact O-CG2 3.28Å; C108-I202 WeakPolarHBondContact O-CG2 3.47Å; C108-Q206 HydrophobicContact CB-CB 3.7Å; C108-Q206 HydrophobicContact CB-CG 4.32Å |
| 109 | D | 94.4 | Very high | 94 | Very high | 44 Ų | 44 | 38.6 Ų | 38.6 | 24% | 0.235 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.4 | -50.8 | 177 | 174.5 | 51.1 | 0 | 0 | 0 | 111.8 | A105 T106 T111 A112 T113 | A105-D109 PolarHBondContact O-N 3.25Å; T106-D109 PolarHBondContact O-N 3.36Å; D109-T111 VanDerWaalsContact C-N 3.34Å; D109-T111 PolarHBondContact O-N 2.85Å; D109-A112 PolarHBondContact O-N 2.9Å; D109-T113 VanDerWaalsContact O-CB 3.24Å; D109-T113 WeakPolarHBondContact O-CB 3.45Å; D109-T113 PolarHBondContact O-N 3.33Å; D109-T113 PolarHBondContact O-OG1 2.96Å |
| 110 | M | 94.2 | Very high | 93.6 | Very high | 16 Ų | 16 | 38.4 Ų | 38.4 | 8% | 0.079 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.6 | -43.6 | 177.4 | -70.8 | 177.8 | 63.2 | 0 | 0 | 112.4 | F54 T106 S114 L235 M236 I239 | F54-M110 HydrophobicContact CE1-CG 4.48Å; F54-M110 HydrophobicContact CE2-CG 3.93Å; F54-M110 HydrophobicContact CE2-SD 4.43Å; F54-M110 HydrophobicContact CZ-CG 3.49Å; F54-M110 VanDerWaalsContact CZ-CG 3.49Å; F54-M110 HydrophobicContact CZ-SD 4.25Å; T106-M110 HydrophobicContact CG2-CG 4.43Å; T106-M110 HydrophobicContact CG2-SD 4.04Å; T106-M110 WeakPolarHBondContact O-CB 3.35Å; T106-M110 VanDerWaalsContact O-CG 3.27Å; T106-M110 WeakPolarHBondContact O-CG 3.43Å; T106-M110 PolarHBondContact O-N 2.93Å; M110-S114 WeakPolarHBondContact O-CB 3.39Å; M110-S114 PolarHBondContact O-N 3.48Å; M110-S114 PolarHBondContact O-OG 3.17Å; M110-L235 HydrophobicContact CE-CB 3.55Å; M110-L235 HydrophobicContact CE-CD1 4.48Å; M110-L235 HydrophobicContact SD-CB 3.68Å; M110-L235 HydrophobicContact SD-CD1 3.74Å; M110-L235 HydrophobicContact SD-CG 4.38Å; M110-M236 HydrophobicContact CE-CG 3.81Å; M110-M236 HydrophobicContact CE-SD 3.41Å; M110-M236 WeakPolarHBondContact CE-SD 3.26Å; M110-I239 HydrophobicContact CE-CD1 3.48Å; M110-I239 VanDerWaalsContact CE-CD1 3.48Å |
| 111 | T | 95.4 | Very high | 93 | Very high | 69 Ų | 69 | 36.6 Ų | 36.6 | 42% | 0.423 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -67.1 | -46.8 | -179.8 | -58.4 | 0 | 0 | 0 | 0 | 111 | L107 C108 D109 S114 I115 I202 | L107-T111 VanDerWaalsContact O-CB 3.23Å; L107-T111 WeakPolarHBondContact O-CB 3.49Å; L107-T111 PolarHBondContact O-N 3.09Å; L107-T111 PolarHBondContact O-OG1 3.34Å; C108-T111 PolarHBondContact O-N 3.17Å; D109-T111 VanDerWaalsContact C-N 3.34Å; D109-T111 PolarHBondContact O-N 2.85Å; T111-S114 PolarHBondContact O-N 3.2Å; T111-I115 HydrophobicContact CG2-CD1 3.86Å; T111-I115 VanDerWaalsContact O-CG1 3.29Å; T111-I115 WeakPolarHBondContact O-CG1 3.49Å; T111-I115 PolarHBondContact O-N 3.41Å; T111-I202 HydrophobicContact CG2-CD1 4.2Å |
| 112 | A | 96.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.6 | -44.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | C108 D109 S114 I115 M116 A199 I202 I203 | C108-A112 VanDerWaalsContact O-CB 3.24Å; C108-A112 WeakPolarHBondContact O-CB 3.23Å; C108-A112 PolarHBondContact O-N 3.16Å; D109-A112 PolarHBondContact O-N 2.9Å; A112-S114 VanDerWaalsContact C-N 3.32Å; A112-S114 PolarHBondContact O-N 3.37Å; A112-I115 PolarHBondContact O-N 2.64Å; A112-M116 WeakPolarHBondContact O-CB 3.47Å; A112-M116 PolarHBondContact O-N 2.84Å; A112-A199 HydrophobicContact CB-CB 4.37Å; A112-A199 WeakPolarHBondContact O-CB 3.44Å; A112-I202 HydrophobicContact CB-CB 3.96Å; A112-I202 HydrophobicContact CB-CG2 3.83Å; A112-I203 HydrophobicContact CB-CD1 4.23Å; A112-I203 HydrophobicContact CB-CG1 3.55Å |
| 113 | T | 91.2 | Very high | 91.7 | Very high | 28 Ų | 28 | 38.1 Ų | 38.1 | 17% | 0.172 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.1 | -42.1 | 177.2 | -67.4 | 0 | 0 | 0 | 0 | 111.1 | D109 M116 Y117 | D109-T113 VanDerWaalsContact O-CB 3.24Å; D109-T113 WeakPolarHBondContact O-CB 3.45Å; D109-T113 PolarHBondContact O-N 3.33Å; D109-T113 PolarHBondContact O-OG1 2.96Å; T113-M116 WeakPolarHBondContact O-CB 3.3Å; T113-M116 PolarHBondContact O-N 3.25Å; T113-Y117 HydrophobicContact CG2-CD2 3.78Å; T113-Y117 HydrophobicContact CG2-CE2 3.45Å; T113-Y117 VanDerWaalsContact CG2-CE2 3.45Å; T113-Y117 WeakPolarHBondContact O-CD2 3.43Å; T113-Y117 PolarHBondContact O-N 2.9Å |
| 114 | S | 91.6 | Very high | 90.7 | Very high | 53 Ų | 53 | 39 Ų | 39 | 37% | 0.371 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -63.2 | -47.2 | 175.7 | -59 | 0 | 0 | 0 | 0 | 112.6 | M110 T111 A112 M116 Y117 V118 | M110-S114 WeakPolarHBondContact O-CB 3.39Å; M110-S114 PolarHBondContact O-N 3.48Å; M110-S114 PolarHBondContact O-OG 3.17Å; T111-S114 PolarHBondContact O-N 3.2Å; A112-S114 VanDerWaalsContact C-N 3.32Å; A112-S114 PolarHBondContact O-N 3.37Å; S114-M116 VanDerWaalsContact C-N 3.28Å; S114-M116 PolarHBondContact O-N 3.33Å; S114-Y117 PolarHBondContact O-N 3.18Å; S114-V118 WeakPolarHBondContact O-CG2 3.18Å; S114-V118 PolarHBondContact O-N 3Å; S114-V118 VanDerWaalsContact O-N 3.07Å |
| 115 | I | 94.6 | Very high | 89.7 | Confident | 37 Ų | 37 | 39.1 Ų | 39.1 | 19% | 0.19 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.5 | -40.8 | 176.5 | -67.7 | 167.8 | 0 | 0 | 0 | 110.5 | T111 A112 V118 G119 L195 I198 A199 I202 | T111-I115 HydrophobicContact CG2-CD1 3.86Å; T111-I115 VanDerWaalsContact O-CG1 3.29Å; T111-I115 WeakPolarHBondContact O-CG1 3.49Å; T111-I115 PolarHBondContact O-N 3.41Å; A112-I115 PolarHBondContact O-N 2.64Å; I115-V118 PolarHBondContact O-N 2.93Å; I115-G119 PolarHBondContact O-N 3.49Å; I115-L195 HydrophobicContact CG2-CB 3.94Å; I115-L195 HydrophobicContact CG2-CD2 4.13Å; I115-L195 WeakPolarHBondContact CG2-O 3.09Å; I115-I198 HydrophobicContact CD1-CG2 4.48Å; I115-A199 HydrophobicContact CB-CB 4.14Å; I115-A199 HydrophobicContact CG2-CB 3.94Å; I115-I202 HydrophobicContact CD1-CD1 3.7Å |
| 116 | M | 92 | Very high | 88.5 | Confident | 20 Ų | 20 | 41.4 Ų | 41.4 | 10% | 0.099 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.5 | -43.1 | 178.2 | -179.3 | 172.9 | 70.5 | 0 | 0 | 111.2 | A112 T113 S114 G119 L120 F128 R132 A199 | A112-M116 WeakPolarHBondContact O-CB 3.47Å; A112-M116 PolarHBondContact O-N 2.84Å; T113-M116 WeakPolarHBondContact O-CB 3.3Å; T113-M116 PolarHBondContact O-N 3.25Å; S114-M116 VanDerWaalsContact C-N 3.28Å; S114-M116 PolarHBondContact O-N 3.33Å; M116-G119 PolarHBondContact O-N 3.37Å; M116-L120 PolarHBondContact O-N 2.81Å; M116-F128 HydrophobicContact CB-CE2 4.33Å; M116-F128 HydrophobicContact CE-CZ 4.16Å; M116-F128 HydrophobicContact CG-CD2 4.19Å; M116-F128 HydrophobicContact CG-CE2 3.07Å; M116-F128 HydrophobicContact CG-CZ 3.33Å; M116-F128 WeakPolarHBondContact O-CE2 3.48Å; M116-F128 HydrophobicContact SD-CE1 4.49Å; M116-F128 HydrophobicContact SD-CE2 3.9Å; M116-F128 HydrophobicContact SD-CZ 3.55Å; M116-F128 VanDerWaalsContact SD-CZ 3.55Å; M116-R132 HydrophobicContact SD-CG 4.28Å; M116-A199 HydrophobicContact CB-CB 4.15Å |
| 117 | Y | 86.6 | Confident | 87.5 | Confident | 76 Ų | 76 | 41.3 Ų | 41.3 | 30% | 0.298 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.1 | -45.2 | 173.1 | -82.3 | -63.2 | 0 | 0 | 0 | 112.5 | T113 S114 G119 L120 T121 | T113-Y117 HydrophobicContact CG2-CD2 3.78Å; T113-Y117 HydrophobicContact CG2-CE2 3.45Å; T113-Y117 VanDerWaalsContact CG2-CE2 3.45Å; T113-Y117 WeakPolarHBondContact O-CD2 3.43Å; T113-Y117 PolarHBondContact O-N 2.9Å; S114-Y117 PolarHBondContact O-N 3.18Å; Y117-G119 VanDerWaalsContact C-N 3.32Å; Y117-G119 PolarHBondContact O-N 3.43Å; Y117-L120 WeakPolarHBondContact O-CB 3.43Å; Y117-L120 PolarHBondContact O-N 2.91Å; Y117-T121 PolarHBondContact O-N 3.22Å |
| 118 | V | 88.6 | Confident | 86.8 | Confident | 64 Ų | 64 | 38.7 Ų | 38.7 | 39% | 0.388 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -59.9 | -45.6 | 175.6 | 176.3 | 0 | 0 | 0 | 0 | 110.4 | S114 I115 L120 T121 M122 L195 | S114-V118 WeakPolarHBondContact O-CG2 3.18Å; S114-V118 PolarHBondContact O-N 3Å; S114-V118 VanDerWaalsContact O-N 3.07Å; I115-V118 PolarHBondContact O-N 2.93Å; V118-L120 VanDerWaalsContact C-N 3.32Å; V118-L120 PolarHBondContact O-N 3.46Å; V118-T121 PolarHBondContact O-N 3.28Å; V118-T121 VanDerWaalsContact O-N 3.08Å; V118-T121 PolarHBondContact O-OG1 2.91Å; V118-M122 HydrophobicContact CG1-SD 4.03Å; V118-M122 WeakPolarHBondContact O-CG 3.38Å; V118-L195 HydrophobicContact CG1-CD1 3.97Å |
| 119 | G | 88.5 | Confident | 85.8 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -56.6 | -43 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | I115 M116 Y117 T121 M122 T123 | I115-G119 PolarHBondContact O-N 3.49Å; M116-G119 PolarHBondContact O-N 3.37Å; Y117-G119 VanDerWaalsContact C-N 3.32Å; Y117-G119 PolarHBondContact O-N 3.43Å; G119-T121 PolarHBondContact O-N 3.01Å; G119-M122 PolarHBondContact O-N 3.28Å; G119-T123 WeakPolarHBondContact O-CG2 3.39Å; G119-T123 PolarHBondContact O-N 3.47Å |
| 120 | L | 85.1 | Confident | 85.1 | Confident | 62 Ų | 62 | 38.6 Ų | 38.6 | 33% | 0.325 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61 | -29.5 | 177 | -176.6 | 63.9 | 0 | 0 | 0 | 113.2 | M116 Y117 V118 M122 T123 A125 F128 | M116-L120 PolarHBondContact O-N 2.81Å; Y117-L120 WeakPolarHBondContact O-CB 3.43Å; Y117-L120 PolarHBondContact O-N 2.91Å; V118-L120 VanDerWaalsContact C-N 3.32Å; V118-L120 PolarHBondContact O-N 3.46Å; L120-M122 PolarHBondContact O-N 3.38Å; L120-T123 VanDerWaalsContact O-O 3.06Å; L120-A125 HydrophobicContact CD1-CB 4.31Å; L120-F128 HydrophobicContact CB-CD2 3.79Å; L120-F128 HydrophobicContact CB-CE2 3.81Å; L120-F128 HydrophobicContact CD1-CB 3.8Å; L120-F128 HydrophobicContact CD1-CD1 4.06Å; L120-F128 HydrophobicContact CD1-CD2 3.79Å; L120-F128 HydrophobicContact CD1-CE2 4.27Å; L120-F128 HydrophobicContact CD1-CG 3.64Å; L120-F128 HydrophobicContact CD2-CE2 4.5Å; L120-F128 HydrophobicContact CG-CD2 4.3Å; L120-F128 HydrophobicContact CG-CE2 4.41Å |
| 121 | T | 81.9 | Confident | 84.7 | Confident | 56 Ų | 56 | 38.1 Ų | 38.1 | 34% | 0.344 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -9.3 | 175 | 70.3 | 0 | 0 | 0 | 0 | 113.8 | Y117 V118 G119 R188 | Y117-T121 PolarHBondContact O-N 3.22Å; V118-T121 PolarHBondContact O-N 3.28Å; V118-T121 VanDerWaalsContact O-N 3.08Å; V118-T121 PolarHBondContact O-OG1 2.91Å; G119-T121 PolarHBondContact O-N 3.01Å; T121-R188 PolarHBondContact O-NH2 3.33Å |
| 122 | M | 82.3 | Confident | 84.3 | Confident | 45 Ų | 45 | 37.5 Ų | 37.5 | 22% | 0.222 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.9 | -26.9 | -175.2 | -64.1 | 175.6 | 66.7 | 0 | 0 | 112.8 | V118 G119 L120 R188 L195 | V118-M122 HydrophobicContact CG1-SD 4.03Å; V118-M122 WeakPolarHBondContact O-CG 3.38Å; G119-M122 PolarHBondContact O-N 3.28Å; L120-M122 PolarHBondContact O-N 3.38Å; M122-R188 HydrophobicContact CB-CG 4.18Å; M122-R188 HydrophobicContact CE-CG 4.22Å; M122-R188 HydrophobicContact CG-CG 4.36Å; M122-L195 HydrophobicContact CE-CD1 4.43Å; M122-L195 HydrophobicContact SD-CD1 3.71Å |
| 123 | T | 82.1 | Confident | 83.8 | Confident | 11 Ų | 11 | 37.6 Ų | 37.6 | 7% | 0.067 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -115 | 176 | 176.2 | -162.4 | 0 | 0 | 0 | 0 | 111.9 | G119 L120 F128 D193 I196 | G119-T123 WeakPolarHBondContact O-CG2 3.39Å; G119-T123 PolarHBondContact O-N 3.47Å; L120-T123 VanDerWaalsContact O-O 3.06Å; T123-F128 HydrophobicContact CG2-CB 4.23Å; T123-D193 VanDerWaalsContact CB-OD1 3.25Å; T123-D193 WeakPolarHBondContact CB-OD1 3.3Å; T123-D193 PolarHBondContact OG1-OD1 2.89Å; T123-I196 HydrophobicContact CG2-CD1 3.34Å |
| 124 | N | 76.2 | Confident | 83.8 | Confident | 64 Ų | 64 | 36.3 Ų | 36.3 | 34% | 0.342 | 20% | 0.201 | S | C | . | . | trans | -79.4 | 146.4 | 176.3 | -70.4 | -46.6 | 0 | 0 | 0 | 111.8 | S126 S127 F128 M189 | N124-S126 PolarHBondContact O-N 3.24Å; N124-S126 VanDerWaalsContact O-N 3.1Å; N124-S127 PolarHBondContact O-N 2.98Å; N124-S127 VanDerWaalsContact O-N 3.08Å; N124-F128 PolarHBondContact O-N 3.46Å; N124-M189 WeakPolarHBondContact ND2-CE 3.41Å | ||
| 125 | A | 74.8 | Confident | 83.9 | Confident | 57 Ų | 57 | 34 Ų | 34 | 47% | 0.471 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -56.5 | -30 | 178 | 0 | 0 | 0 | 0 | 0 | 113.6 | L120 Q129 | L120-A125 HydrophobicContact CD1-CB 4.31Å; A125-Q129 WeakPolarHBondContact O-CG 3.28Å; A125-Q129 PolarHBondContact O-N 3.21Å; A125-Q129 VanDerWaalsContact O-N 3.11Å |
| 126 | S | 71.4 | Confident | 83.7 | Confident | 49 Ų | 49 | 32.2 Ų | 32.2 | 34% | 0.343 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -69.3 | -48.6 | 174.9 | 51.5 | 0 | 0 | 0 | 0 | 112.4 | N124 F128 Q129 M130 | N124-S126 PolarHBondContact O-N 3.24Å; N124-S126 VanDerWaalsContact O-N 3.1Å; S126-F128 VanDerWaalsContact C-N 3.31Å; S126-F128 PolarHBondContact O-N 2.93Å; S126-Q129 PolarHBondContact O-N 3.42Å; S126-M130 VanDerWaalsContact O-CG 3.28Å; S126-M130 WeakPolarHBondContact O-CG 3.48Å; S126-M130 PolarHBondContact O-N 3.5Å |
| 127 | S | 76.6 | Confident | 83.8 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.7 | -42.9 | 175.4 | -58.6 | 0 | 0 | 0 | 0 | 110.7 | N124 Q129 M130 L131 D173 K352 | N124-S127 PolarHBondContact O-N 2.98Å; N124-S127 VanDerWaalsContact O-N 3.08Å; S127-Q129 PolarHBondContact O-N 3.16Å; S127-M130 PolarHBondContact O-N 3.4Å; S127-L131 WeakPolarHBondContact O-CB 3.24Å; S127-L131 VanDerWaalsContact O-CG 3.26Å; S127-L131 WeakPolarHBondContact O-CG 3.16Å; S127-L131 PolarHBondContact O-N 3.04Å; S127-D173 VanDerWaalsContact CB-OD2 3.3Å; S127-D173 WeakPolarHBondContact CB-OD2 3.24Å; S127-D173 VanDerWaalsContact OG-CG 3.26Å; S127-D173 PolarHBondContact OG-OD1 3.24Å; S127-D173 PolarHBondContact OG-OD2 2.98Å; S127-K352 PolarHBondContact OG-NZ 3Å |
| 128 | F | 81.4 | Confident | 84.2 | Confident | 22 Ų | 22 | 31.2 Ų | 31.2 | 10% | 0.096 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -52.8 | -52.1 | 172.8 | 174.2 | -90.4 | 0 | 0 | 0 | 113.1 | M116 L120 T123 N124 S126 M130 L131 R132 I196 | M116-F128 HydrophobicContact CB-CE2 4.33Å; M116-F128 HydrophobicContact CE-CZ 4.16Å; M116-F128 HydrophobicContact CG-CD2 4.19Å; M116-F128 HydrophobicContact CG-CE2 3.07Å; M116-F128 HydrophobicContact CG-CZ 3.33Å; M116-F128 WeakPolarHBondContact O-CE2 3.48Å; M116-F128 HydrophobicContact SD-CE1 4.49Å; M116-F128 HydrophobicContact SD-CE2 3.9Å; M116-F128 HydrophobicContact SD-CZ 3.55Å; M116-F128 VanDerWaalsContact SD-CZ 3.55Å; L120-F128 HydrophobicContact CB-CD2 3.79Å; L120-F128 HydrophobicContact CB-CE2 3.81Å; L120-F128 HydrophobicContact CD1-CB 3.8Å; L120-F128 HydrophobicContact CD1-CD1 4.06Å; L120-F128 HydrophobicContact CD1-CD2 3.79Å; L120-F128 HydrophobicContact CD1-CE2 4.27Å; L120-F128 HydrophobicContact CD1-CG 3.64Å; L120-F128 HydrophobicContact CD2-CE2 4.5Å; L120-F128 HydrophobicContact CG-CD2 4.3Å; L120-F128 HydrophobicContact CG-CE2 4.41Å; T123-F128 HydrophobicContact CG2-CB 4.23Å; N124-F128 PolarHBondContact O-N 3.46Å; S126-F128 VanDerWaalsContact C-N 3.31Å; S126-F128 PolarHBondContact O-N 2.93Å; F128-M130 VanDerWaalsContact C-N 3.32Å; F128-M130 PolarHBondContact O-N 2.97Å; F128-L131 PolarHBondContact O-N 3.13Å; F128-R132 WeakPolarHBondContact O-CG 3.07Å; F128-R132 PolarHBondContact O-N 2.7Å; F128-I196 HydrophobicContact CB-CD1 4.23Å; F128-I196 HydrophobicContact CD2-CD1 3.74Å; F128-I196 HydrophobicContact CD2-CG1 4.16Å; F128-I196 HydrophobicContact CG-CD1 4.45Å |
| 129 | Q | 77.2 | Confident | 84.5 | Confident | 60 Ų | 60 | 28.2 Ų | 28.2 | 28% | 0.28 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -64.3 | -37.6 | -179.6 | -73.1 | 178.4 | 16.7 | 0 | 0 | 112.2 | A125 S126 S127 V314 | A125-Q129 WeakPolarHBondContact O-CG 3.28Å; A125-Q129 PolarHBondContact O-N 3.21Å; A125-Q129 VanDerWaalsContact O-N 3.11Å; S126-Q129 PolarHBondContact O-N 3.42Å; S127-Q129 PolarHBondContact O-N 3.16Å; Q129-V314 HydrophobicContact CB-CG1 4.43Å |
| 130 | M | 78.4 | Confident | 84.8 | Confident | 21 Ų | 21 | 28.2 Ų | 28.2 | 10% | 0.103 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -70.5 | -44.4 | 179.8 | -69.4 | 168.8 | -172.4 | 0 | 0 | 112.1 | S126 S127 F128 R132 G133 L166 V169 K352 F356 L359 | S126-M130 VanDerWaalsContact O-CG 3.28Å; S126-M130 WeakPolarHBondContact O-CG 3.48Å; S126-M130 PolarHBondContact O-N 3.5Å; S127-M130 PolarHBondContact O-N 3.4Å; F128-M130 VanDerWaalsContact C-N 3.32Å; F128-M130 PolarHBondContact O-N 2.97Å; M130-R132 PolarHBondContact O-N 3.04Å; M130-G133 PolarHBondContact O-N 3.12Å; M130-L166 WeakPolarHBondContact O-CD2 3.48Å; M130-V169 HydrophobicContact CB-CB 4.49Å; M130-V169 HydrophobicContact CB-CG1 3.86Å; M130-V169 HydrophobicContact CB-CG2 4.09Å; M130-V169 HydrophobicContact CG-CG1 4.39Å; M130-V169 HydrophobicContact CG-CG2 4.2Å; M130-V169 HydrophobicContact SD-CB 4.26Å; M130-V169 HydrophobicContact SD-CG1 3.65Å; M130-V169 HydrophobicContact SD-CG2 3.49Å; M130-V169 WeakPolarHBondContact SD-CG2 3.3Å; M130-K352 HydrophobicContact CE-CB 3.86Å; M130-K352 HydrophobicContact SD-CB 4.19Å; M130-F356 HydrophobicContact CE-CB 3.91Å; M130-F356 HydrophobicContact CE-CG 4.47Å; M130-F356 HydrophobicContact CG-CD2 4.2Å; M130-L359 HydrophobicContact CB-CD1 3.96Å; M130-L359 HydrophobicContact CG-CD1 4.32Å |
| 131 | L | 86.4 | Confident | 85.4 | Confident | 7 Ų | 7 | 28.6 Ų | 28.6 | 4% | 0.037 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.2 | -24.8 | -179.7 | -71.9 | 172.9 | 0 | 0 | 0 | 112.8 | S127 F128 G133 A134 L166 D193 I196 L197 Q200 | S127-L131 WeakPolarHBondContact O-CB 3.24Å; S127-L131 VanDerWaalsContact O-CG 3.26Å; S127-L131 WeakPolarHBondContact O-CG 3.16Å; S127-L131 PolarHBondContact O-N 3.04Å; F128-L131 PolarHBondContact O-N 3.13Å; L131-G133 PolarHBondContact O-N 2.98Å; L131-A134 WeakPolarHBondContact O-CB 3.44Å; L131-A134 PolarHBondContact O-N 3.42Å; L131-L166 HydrophobicContact CD2-CD2 4.29Å; L131-D193 HydrophobicContact CD1-CB 3.62Å; L131-D193 WeakPolarHBondContact CD1-OD1 3.36Å; L131-I196 HydrophobicContact CB-CB 4.48Å; L131-I196 HydrophobicContact CB-CG2 3.65Å; L131-I196 HydrophobicContact CD1-CB 4.3Å; L131-I196 HydrophobicContact CD1-CD1 4.3Å; L131-I196 HydrophobicContact CD1-CG2 4.32Å; L131-L197 HydrophobicContact CD2-CD2 4.08Å; L131-L197 HydrophobicContact CD2-CG 4.41Å; L131-Q200 WeakPolarHBondContact O-CG 3.24Å |
| 132 | R | 86.8 | Confident | 86.1 | Confident | 55 Ų | 55 | 27.7 Ų | 27.7 | 21% | 0.208 | 15% | 0.148 | C | C | . | . | G | 310 helix | trans | -60.4 | -26.4 | 172.2 | -73.5 | -179 | 65.7 | 174.8 | -1.4 | 113.8 | M116 F128 M130 A134 T135 Q200 D310 | M116-R132 HydrophobicContact SD-CG 4.28Å; F128-R132 WeakPolarHBondContact O-CG 3.07Å; F128-R132 PolarHBondContact O-N 2.7Å; M130-R132 PolarHBondContact O-N 3.04Å; R132-A134 PolarHBondContact O-N 3.31Å; R132-A134 VanDerWaalsContact O-N 3.17Å; R132-T135 WeakPolarHBondContact O-CB 3.41Å; R132-T135 PolarHBondContact O-N 2.96Å; R132-T135 PolarHBondContact O-OG1 2.99Å; R132-Q200 VanDerWaalsContact CA-OE1 3.31Å; R132-Q200 PolarHBondContact O-OE1 2.97Å; R132-D310 IonicContact NH2-OD2 2.81Å; R132-D310 PolarHBondContact NH2-OD2 3.49Å |
| 133 | G | 85.6 | Confident | 86.8 | Confident | 3 Ų | 3 | 25.6 Ų | 25.6 | 3% | 0.031 | 14% | 0.137 | C | C | . | . | G | 310 helix | trans | -60.6 | -21.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | M130 L131 T135 I136 | M130-G133 PolarHBondContact O-N 3.12Å; L131-G133 PolarHBondContact O-N 2.98Å; G133-T135 PolarHBondContact O-N 3.29Å; G133-I136 PolarHBondContact O-N 3.47Å |
| 134 | A | 91 | Very high | 87.4 | Confident | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.008 | 15% | 0.148 | C | C | . | . | G | 310 helix | trans | -61.1 | -25.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | L131 R132 I136 I137 F138 L166 L197 Q200 | L131-A134 WeakPolarHBondContact O-CB 3.44Å; L131-A134 PolarHBondContact O-N 3.42Å; R132-A134 PolarHBondContact O-N 3.31Å; R132-A134 VanDerWaalsContact O-N 3.17Å; A134-I136 PolarHBondContact O-N 3.26Å; A134-I136 VanDerWaalsContact O-N 3.14Å; A134-I137 WeakPolarHBondContact O-CB 3.33Å; A134-I137 PolarHBondContact O-N 3.06Å; A134-F138 HydrophobicContact CB-CD2 4.48Å; A134-F138 HydrophobicContact CB-CE2 4.16Å; A134-F138 WeakPolarHBondContact O-CD2 3.14Å; A134-F138 PolarHBondContact O-N 3.32Å; A134-L166 HydrophobicContact CB-CD1 3.44Å; A134-L166 VanDerWaalsContact CB-CD1 3.44Å; A134-L166 HydrophobicContact CB-CD2 4.13Å; A134-L166 HydrophobicContact CB-CG 4.43Å; A134-L197 HydrophobicContact CB-CD2 3.86Å; A134-Q200 HydrophobicContact CB-CB 4.36Å; A134-Q200 HydrophobicContact CB-CG 4.19Å |
| 135 | T | 93.4 | Very high | 88.4 | Confident | 4 Ų | 4 | 27.7 Ų | 27.7 | 3% | 0.025 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -57.8 | -30.7 | 178.6 | -61.8 | 0 | 0 | 0 | 0 | 112.3 | R132 G133 I137 T139 Q200 I203 A204 M307 | R132-T135 WeakPolarHBondContact O-CB 3.41Å; R132-T135 PolarHBondContact O-N 2.96Å; R132-T135 PolarHBondContact O-OG1 2.99Å; G133-T135 PolarHBondContact O-N 3.29Å; T135-I137 VanDerWaalsContact C-N 3.35Å; T135-I137 PolarHBondContact O-N 2.61Å; T135-T139 WeakPolarHBondContact O-CB 3.46Å; T135-T139 PolarHBondContact O-N 3.22Å; T135-T139 PolarHBondContact O-OG1 3.17Å; T135-Q200 WeakPolarHBondContact OG1-CA 3.31Å; T135-Q200 WeakPolarHBondContact OG1-CB 3.29Å; T135-Q200 VanDerWaalsContact OG1-CG 3.25Å; T135-Q200 WeakPolarHBondContact OG1-CG 3.28Å; T135-Q200 PolarHBondContact OG1-OE1 3.3Å; T135-I203 HydrophobicContact CG2-CB 4.17Å; T135-I203 HydrophobicContact CG2-CG2 3.76Å; T135-A204 HydrophobicContact CG2-CB 4.33Å; T135-M307 HydrophobicContact CG2-CG 3.94Å; T135-M307 HydrophobicContact CG2-SD 3.43Å; T135-M307 WeakPolarHBondContact CG2-SD 3.26Å |
| 136 | I | 91.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.1 | -41.6 | 177.3 | -63.6 | 168.6 | 0 | 0 | 0 | 111.4 | G133 A134 G140 M307 V308 S311 M363 Y366 | G133-I136 PolarHBondContact O-N 3.47Å; A134-I136 PolarHBondContact O-N 3.26Å; A134-I136 VanDerWaalsContact O-N 3.14Å; I136-G140 PolarHBondContact O-N 3.47Å; I136-M307 HydrophobicContact CG1-CB 3.78Å; I136-V308 HydrophobicContact CD1-CB 4.5Å; I136-V308 HydrophobicContact CD1-CG2 3.9Å; I136-V308 HydrophobicContact CG1-CG2 4.25Å; I136-V308 HydrophobicContact CG2-CG2 4.13Å; I136-S311 WeakPolarHBondContact CD1-OG 3.33Å; I136-M363 HydrophobicContact CD1-CE 3.77Å; I136-M363 HydrophobicContact CD1-CG 3.53Å; I136-M363 HydrophobicContact CD1-SD 4.11Å; I136-Y366 HydrophobicContact CG2-CD2 4.49Å |
| 137 | I | 93.2 | Very high | 90.5 | Very high | 20 Ų | 20 | 30 Ų | 30 | 10% | 0.103 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64.6 | -52.8 | -179.1 | -58.9 | 167.3 | 0 | 0 | 0 | 109.3 | A134 T135 T139 G140 I141 M159 V162 L163 L166 | A134-I137 WeakPolarHBondContact O-CB 3.33Å; A134-I137 PolarHBondContact O-N 3.06Å; T135-I137 VanDerWaalsContact C-N 3.35Å; T135-I137 PolarHBondContact O-N 2.61Å; I137-T139 PolarHBondContact O-N 3.22Å; I137-G140 PolarHBondContact O-N 3.29Å; I137-I141 HydrophobicContact CG2-CD1 3.83Å; I137-I141 WeakPolarHBondContact O-CG1 3.36Å; I137-I141 PolarHBondContact O-N 3.07Å; I137-M159 HydrophobicContact CG1-CB 4.49Å; I137-V162 HydrophobicContact CD1-CB 4.29Å; I137-V162 HydrophobicContact CD1-CG1 3.87Å; I137-V162 HydrophobicContact CG1-CB 4.24Å; I137-V162 HydrophobicContact CG1-CG1 3.96Å; I137-L163 HydrophobicContact CD1-CB 3.8Å; I137-L163 HydrophobicContact CD1-CD1 4.14Å; I137-L166 HydrophobicContact CD1-CD1 3.56Å |
| 138 | F | 96 | Very high | 91.3 | Very high | 55 Ų | 55 | 33 Ų | 33 | 24% | 0.241 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.1 | -42.3 | -179 | -64.1 | -60 | 0 | 0 | 0 | 111.7 | A134 G140 I141 F142 Q200 I201 A204 | A134-F138 HydrophobicContact CB-CD2 4.48Å; A134-F138 HydrophobicContact CB-CE2 4.16Å; A134-F138 WeakPolarHBondContact O-CD2 3.14Å; A134-F138 PolarHBondContact O-N 3.32Å; F138-G140 PolarHBondContact O-N 3.07Å; F138-I141 PolarHBondContact O-N 3.34Å; F138-F142 HydrophobicContact CB-CD2 4.42Å; F138-F142 HydrophobicContact CB-CE2 4.16Å; F138-F142 VanDerWaalsContact O-CB 3.29Å; F138-F142 WeakPolarHBondContact O-CB 3.44Å; F138-F142 VanDerWaalsContact O-CD2 3.26Å; F138-F142 WeakPolarHBondContact O-CD2 3.43Å; F138-F142 WeakPolarHBondContact O-CG 3.45Å; F138-F142 PolarHBondContact O-N 2.99Å; F138-Q200 HydrophobicContact CD2-CB 4.36Å; F138-I201 HydrophobicContact CD1-CG1 3.91Å; F138-I201 HydrophobicContact CD2-CG1 3.73Å; F138-I201 HydrophobicContact CE1-CD1 4.1Å; F138-I201 HydrophobicContact CE1-CG1 3.79Å; F138-I201 HydrophobicContact CE2-CD1 4.31Å; F138-I201 HydrophobicContact CE2-CG1 3.6Å; F138-I201 HydrophobicContact CG-CG1 3.88Å; F138-I201 HydrophobicContact CZ-CD1 3.93Å; F138-I201 HydrophobicContact CZ-CG1 3.64Å; F138-A204 HydrophobicContact CB-CB 3.43Å; F138-A204 VanDerWaalsContact CB-CB 3.43Å |
| 139 | T | 95.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.3 | -43.3 | 177.8 | -54.6 | 0 | 0 | 0 | 0 | 110.4 | T135 I137 F142 S143 A204 M207 V208 A303 P304 M307 | T135-T139 WeakPolarHBondContact O-CB 3.46Å; T135-T139 PolarHBondContact O-N 3.22Å; T135-T139 PolarHBondContact O-OG1 3.17Å; I137-T139 PolarHBondContact O-N 3.22Å; T139-F142 PolarHBondContact O-N 3.42Å; T139-S143 VanDerWaalsContact O-CB 3.25Å; T139-S143 WeakPolarHBondContact O-CB 3.38Å; T139-S143 PolarHBondContact O-N 2.87Å; T139-S143 PolarHBondContact O-OG 3.01Å; T139-A204 WeakPolarHBondContact OG1-CA 3.35Å; T139-A204 WeakPolarHBondContact OG1-CB 3.36Å; T139-M207 HydrophobicContact CG2-CB 4.24Å; T139-V208 HydrophobicContact CG2-CG2 3.91Å; T139-A303 HydrophobicContact CG2-CB 3.8Å; T139-P304 HydrophobicContact CG2-CG 4.06Å; T139-M307 HydrophobicContact CG2-CG 4.07Å |
| 140 | G | 94.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61 | -47.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | I136 I137 F138 S143 V144 | I136-G140 PolarHBondContact O-N 3.47Å; I137-G140 PolarHBondContact O-N 3.29Å; F138-G140 PolarHBondContact O-N 3.07Å; G140-S143 PolarHBondContact O-N 3.32Å; G140-V144 WeakPolarHBondContact O-CG2 3.43Å; G140-V144 PolarHBondContact O-N 3.29Å; G140-V144 VanDerWaalsContact O-N 3.13Å |
| 141 | I | 96.1 | Very high | 92.8 | Very high | 71 Ų | 71 | 37.5 Ų | 37.5 | 36% | 0.364 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -62.5 | -47.7 | 177.3 | -67.1 | 168.7 | 0 | 0 | 0 | 110.9 | I137 F138 S143 V144 A145 | I137-I141 HydrophobicContact CG2-CD1 3.83Å; I137-I141 WeakPolarHBondContact O-CG1 3.36Å; I137-I141 PolarHBondContact O-N 3.07Å; F138-I141 PolarHBondContact O-N 3.34Å; I141-S143 VanDerWaalsContact C-N 3.35Å; I141-S143 PolarHBondContact O-N 2.97Å; I141-V144 PolarHBondContact O-N 3.45Å; I141-A145 WeakPolarHBondContact O-CB 3.46Å; I141-A145 PolarHBondContact O-N 3.29Å |
| 142 | F | 97.4 | Very high | 92.8 | Very high | 37 Ų | 37 | 42.8 Ų | 42.8 | 16% | 0.162 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.2 | -34.4 | 179 | -69 | -25.5 | 0 | 0 | 0 | 112.7 | F138 T139 V144 A145 F146 I201 A204 L205 V208 | F138-F142 HydrophobicContact CB-CD2 4.42Å; F138-F142 HydrophobicContact CB-CE2 4.16Å; F138-F142 VanDerWaalsContact O-CB 3.29Å; F138-F142 WeakPolarHBondContact O-CB 3.44Å; F138-F142 VanDerWaalsContact O-CD2 3.26Å; F138-F142 WeakPolarHBondContact O-CD2 3.43Å; F138-F142 WeakPolarHBondContact O-CG 3.45Å; F138-F142 PolarHBondContact O-N 2.99Å; T139-F142 PolarHBondContact O-N 3.42Å; F142-V144 VanDerWaalsContact C-N 3.33Å; F142-V144 PolarHBondContact O-N 3.06Å; F142-A145 PolarHBondContact O-N 3.03Å; F142-F146 HydrophobicContact CB-CD2 3.89Å; F142-F146 HydrophobicContact CB-CE2 4.22Å; F142-F146 HydrophobicContact CD1-CD2 4.13Å; F142-F146 AromaticContact CD1-CE2 3.59Å; F142-F146 HydrophobicContact CD1-CE2 3.59Å; F142-F146 HydrophobicContact CE1-CE2 4.18Å; F142-F146 HydrophobicContact CG-CD2 4.2Å; F142-F146 HydrophobicContact CG-CE2 4.01Å; F142-F146 WeakPolarHBondContact O-CB 3.25Å; F142-F146 PolarHBondContact O-N 3.27Å; F142-I201 HydrophobicContact CE2-CG2 4.1Å; F142-I201 HydrophobicContact CZ-CG2 4.07Å; F142-A204 HydrophobicContact CD2-CB 3.82Å; F142-A204 HydrophobicContact CE2-CB 4.01Å; F142-L205 HydrophobicContact CD1-CD2 4.48Å; F142-L205 HydrophobicContact CD2-CD2 3.75Å; F142-L205 HydrophobicContact CD2-CG 4.02Å; F142-L205 HydrophobicContact CE1-CD2 4.32Å; F142-L205 HydrophobicContact CE2-CD2 3.57Å; F142-L205 HydrophobicContact CE2-CG 3.57Å; F142-L205 HydrophobicContact CG-CD2 4.22Å; F142-L205 HydrophobicContact CZ-CD2 3.87Å; F142-L205 HydrophobicContact CZ-CG 4.14Å; F142-V208 HydrophobicContact CB-CB 4.22Å; F142-V208 HydrophobicContact CB-CG1 4.19Å; F142-V208 HydrophobicContact CB-CG2 3.73Å |
| 143 | S | 96.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.6 | -37.8 | 171.9 | -75.7 | 0 | 0 | 0 | 0 | 112.2 | T139 G140 I141 L147 G148 M149 P304 | T139-S143 VanDerWaalsContact O-CB 3.25Å; T139-S143 WeakPolarHBondContact O-CB 3.38Å; T139-S143 PolarHBondContact O-N 2.87Å; T139-S143 PolarHBondContact O-OG 3.01Å; G140-S143 PolarHBondContact O-N 3.32Å; I141-S143 VanDerWaalsContact C-N 3.35Å; I141-S143 PolarHBondContact O-N 2.97Å; S143-L147 VanDerWaalsContact O-CB 3.27Å; S143-L147 WeakPolarHBondContact O-CB 3.43Å; S143-L147 PolarHBondContact O-N 3.28Å; S143-G148 PolarHBondContact O-N 3.23Å; S143-M149 PolarHBondContact O-N 3.38Å; S143-P304 WeakPolarHBondContact OG-CD 3.33Å; S143-P304 WeakPolarHBondContact OG-CG 2.92Å |
| 144 | V | 96.3 | Very high | 92.9 | Very high | 49 Ų | 49 | 49.8 Ų | 49.8 | 30% | 0.297 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -68.7 | -48.4 | 172.9 | 177.2 | 0 | 0 | 0 | 0 | 110.3 | G140 I141 F142 G148 M149 L151 W156 | G140-V144 WeakPolarHBondContact O-CG2 3.43Å; G140-V144 PolarHBondContact O-N 3.29Å; G140-V144 VanDerWaalsContact O-N 3.13Å; I141-V144 PolarHBondContact O-N 3.45Å; F142-V144 VanDerWaalsContact C-N 3.33Å; F142-V144 PolarHBondContact O-N 3.06Å; V144-G148 WeakPolarHBondContact O-CA 3.16Å; V144-G148 PolarHBondContact O-N 3.5Å; V144-M149 WeakPolarHBondContact CG2-O 3.3Å; V144-L151 HydrophobicContact CG2-CB 4.5Å; V144-L151 HydrophobicContact CG2-CD1 3.52Å; V144-L151 HydrophobicContact CG2-CG 3.64Å; V144-W156 HydrophobicContact CG2-CZ2 4.03Å |
| 145 | A | 96.4 | Very high | 92.8 | Very high | 70 Ų | 70 | 51 Ų | 51 | 58% | 0.579 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -69.3 | -45.5 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | I141 F142 | I141-A145 WeakPolarHBondContact O-CB 3.46Å; I141-A145 PolarHBondContact O-N 3.29Å; F142-A145 PolarHBondContact O-N 3.03Å |
| 146 | F | 96.1 | Very high | 92.7 | Very high | 110 Ų | 110 | 56.3 Ų | 56.3 | 48% | 0.482 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -103.2 | -22.3 | -170.7 | -61.6 | -59 | 0 | 0 | 0 | 114.5 | F142 L205 V208 R212 | F142-F146 HydrophobicContact CB-CD2 3.89Å; F142-F146 HydrophobicContact CB-CE2 4.22Å; F142-F146 HydrophobicContact CD1-CD2 4.13Å; F142-F146 AromaticContact CD1-CE2 3.59Å; F142-F146 HydrophobicContact CD1-CE2 3.59Å; F142-F146 HydrophobicContact CE1-CE2 4.18Å; F142-F146 HydrophobicContact CG-CD2 4.2Å; F142-F146 HydrophobicContact CG-CE2 4.01Å; F142-F146 WeakPolarHBondContact O-CB 3.25Å; F142-F146 PolarHBondContact O-N 3.27Å; F146-L205 HydrophobicContact CE2-CD2 4.1Å; F146-V208 HydrophobicContact CB-CG1 4.14Å; F146-V208 HydrophobicContact CD2-CG1 4.45Å; F146-R212 PolarHBondContact O-NH1 3.19Å |
| 147 | L | 95 | Very high | 92.6 | Very high | 46 Ų | 46 | 60.5 Ų | 60.5 | 24% | 0.241 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -107.2 | -7.9 | 178 | -83.6 | 58.6 | 0 | 0 | 0 | 112.6 | S143 M149 V208 Q211 R212 | S143-L147 VanDerWaalsContact O-CB 3.27Å; S143-L147 WeakPolarHBondContact O-CB 3.43Å; S143-L147 PolarHBondContact O-N 3.28Å; L147-M149 HydrophobicContact CB-CG 3.99Å; L147-M149 HydrophobicContact CB-SD 4.47Å; L147-M149 HydrophobicContact CD2-SD 4.3Å; L147-M149 PolarHBondContact O-N 3.01Å; L147-V208 HydrophobicContact CD1-CG1 3.24Å; L147-V208 HydrophobicContact CG-CG1 4.43Å; L147-Q211 HydrophobicContact CD2-CB 3.89Å; L147-Q211 HydrophobicContact CD2-CG 3.6Å; L147-R212 HydrophobicContact CD1-CB 4.04Å; L147-R212 HydrophobicContact CG-CB 4.47Å |
| 148 | G | 93 | Very high | 92.4 | Very high | 61 Ų | 61 | 59.5 Ų | 59.5 | 63% | 0.629 | 32% | 0.316 | S | S | * | . | trans | 66.2 | 24.2 | -178 | 0 | 0 | 0 | 0 | 0 | 113.1 | S143 V144 | S143-G148 PolarHBondContact O-N 3.23Å; V144-G148 WeakPolarHBondContact O-CA 3.16Å; V144-G148 PolarHBondContact O-N 3.5Å | ||
| 149 | M | 90.9 | Very high | 92.1 | Very high | 41 Ų | 41 | 57.2 Ų | 57.2 | 20% | 0.202 | 31% | 0.307 | C | S | . | . | trans | -69 | 136.2 | 179.2 | -69.1 | -178.3 | 59.3 | 0 | 0 | 110.9 | S143 V144 L147 D302 | S143-M149 PolarHBondContact O-N 3.38Å; V144-M149 WeakPolarHBondContact CG2-O 3.3Å; L147-M149 HydrophobicContact CB-CG 3.99Å; L147-M149 HydrophobicContact CB-SD 4.47Å; L147-M149 HydrophobicContact CD2-SD 4.3Å; L147-M149 PolarHBondContact O-N 3.01Å; M149-D302 HydrophobicContact CE-CB 3.56Å; M149-D302 WeakPolarHBondContact CE-OD2 3.3Å; M149-D302 HydrophobicContact SD-CB 4.27Å | ||
| 150 | T | 89.9 | Confident | 91.9 | Very high | 138 Ų | 138 | 61.9 Ų | 61.9 | 85% | 0.847 | 33% | 0.331 | S | S | * | . | trans | -91.7 | 115.1 | 169.3 | 58.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 151 | L | 86.4 | Confident | 91.7 | Very high | 19 Ų | 19 | 64.4 Ų | 64.4 | 10% | 0.099 | 34% | 0.344 | C | S | . | . | trans | -91.2 | 131.2 | 175.1 | -60 | 179.1 | 0 | 0 | 0 | 110.3 | V144 K155 W156 M159 | V144-L151 HydrophobicContact CG2-CB 4.5Å; V144-L151 HydrophobicContact CG2-CD1 3.52Å; V144-L151 HydrophobicContact CG2-CG 3.64Å; L151-K155 HydrophobicContact CB-CB 4.21Å; L151-K155 HydrophobicContact CB-CD 4.46Å; L151-K155 HydrophobicContact CD2-CD 3.77Å; L151-W156 HydrophobicContact CD1-CZ2 4.48Å; L151-W156 PolarHBondContact O-NE1 2.88Å; L151-M159 HydrophobicContact CD1-CE 3.66Å; L151-M159 HydrophobicContact CD1-SD 4.46Å | ||
| 152 | K | 87.6 | Confident | 91.3 | Very high | 118 Ų | 118 | 61 Ų | 61 | 51% | 0.513 | 33% | 0.327 | S | S | . | . | trans | -64.7 | 154.8 | 173.2 | -65.7 | -177.3 | 179.2 | -179.5 | 0 | 110.4 | Y154 K155 W156 | K152-Y154 VanDerWaalsContact C-N 3.27Å; K152-Y154 HydrophobicContact CB-CD1 3.73Å; K152-Y154 HydrophobicContact CB-CE1 3.39Å; K152-Y154 HydrophobicContact CD-CD1 4.4Å; K152-Y154 HydrophobicContact CD-CE1 3.4Å; K152-Y154 VanDerWaalsContact CD-CE1 3.4Å; K152-Y154 HydrophobicContact CG-CE1 4Å; K152-Y154 PolarHBondContact O-N 3.25Å; K152-Y154 VanDerWaalsContact O-N 3.16Å; K152-K155 WeakPolarHBondContact O-CB 3.5Å; K152-K155 PolarHBondContact O-N 2.85Å; K152-W156 PolarHBondContact O-N 3.18Å | ||
| 153 | L | 89 | Confident | 90.9 | Very high | 131 Ų | 131 | 63.1 Ų | 63.1 | 69% | 0.686 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -53.9 | -39.5 | -175.7 | -176.6 | 63 | 0 | 0 | 0 | 113.6 | K155 W156 L157 | L153-K155 VanDerWaalsContact C-N 3.29Å; L153-K155 PolarHBondContact O-N 3.06Å; L153-W156 WeakPolarHBondContact O-CB 3.48Å; L153-W156 PolarHBondContact O-N 3.04Å; L153-W156 VanDerWaalsContact O-N 3.13Å; L153-L157 HydrophobicContact CG-CD1 4.43Å; L153-L157 WeakPolarHBondContact O-CG 3.32Å; L153-L157 PolarHBondContact O-N 3.47Å |
| 154 | Y | 86.3 | Confident | 90.6 | Very high | 74 Ų | 74 | 65.9 Ų | 65.9 | 29% | 0.29 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.5 | -30.8 | 178.5 | 67.4 | -98.3 | 0 | 0 | 0 | 113.2 | K152 W156 L157 G158 I365 | K152-Y154 VanDerWaalsContact C-N 3.27Å; K152-Y154 HydrophobicContact CB-CD1 3.73Å; K152-Y154 HydrophobicContact CB-CE1 3.39Å; K152-Y154 HydrophobicContact CD-CD1 4.4Å; K152-Y154 HydrophobicContact CD-CE1 3.4Å; K152-Y154 VanDerWaalsContact CD-CE1 3.4Å; K152-Y154 HydrophobicContact CG-CE1 4Å; K152-Y154 PolarHBondContact O-N 3.25Å; K152-Y154 VanDerWaalsContact O-N 3.16Å; Y154-W156 VanDerWaalsContact C-N 3.34Å; Y154-L157 PolarHBondContact O-N 3.48Å; Y154-G158 PolarHBondContact O-N 3.13Å; Y154-I365 WeakPolarHBondContact CD2-O 3.42Å; Y154-I365 WeakPolarHBondContact O-CG2 3.44Å |
| 155 | K | 87.8 | Confident | 90.1 | Very high | 27 Ų | 27 | 63.5 Ų | 63.5 | 12% | 0.117 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -66.4 | -40.1 | 174.2 | -70.8 | -168.6 | 171.5 | -168.9 | 0 | 110.3 | L151 K152 L153 G158 M159 D302 Y366 | L151-K155 HydrophobicContact CB-CB 4.21Å; L151-K155 HydrophobicContact CB-CD 4.46Å; L151-K155 HydrophobicContact CD2-CD 3.77Å; K152-K155 WeakPolarHBondContact O-CB 3.5Å; K152-K155 PolarHBondContact O-N 2.85Å; L153-K155 VanDerWaalsContact C-N 3.29Å; L153-K155 PolarHBondContact O-N 3.06Å; K155-G158 PolarHBondContact O-N 3.1Å; K155-M159 WeakPolarHBondContact O-CG 3.47Å; K155-M159 PolarHBondContact O-N 2.82Å; K155-D302 IonicContact NZ-OD2 3.67Å; K155-D302 PolarHBondContact NZ-OD2 3.41Å; K155-Y366 HydrophobicContact CB-CD2 3.81Å; K155-Y366 HydrophobicContact CB-CE2 3.56Å; K155-Y366 HydrophobicContact CB-CG 4.5Å; K155-Y366 HydrophobicContact CD-CE1 4.04Å; K155-Y366 HydrophobicContact CD-CE2 4.14Å; K155-Y366 HydrophobicContact CG-CD1 4.47Å; K155-Y366 HydrophobicContact CG-CD2 4.19Å; K155-Y366 HydrophobicContact CG-CE1 4.32Å; K155-Y366 HydrophobicContact CG-CE2 3.98Å; K155-Y366 HydrophobicContact CG-CG 4.42Å; K155-Y366 VanDerWaalsContact O-CD2 3.24Å; K155-Y366 WeakPolarHBondContact O-CD2 3.4Å |
| 156 | W | 91.2 | Very high | 89.7 | Confident | 115 Ų | 115 | 61 Ų | 61 | 44% | 0.436 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.5 | -44.9 | 172.1 | -74.4 | 105.2 | 0 | 0 | 0 | 112.5 | V144 L151 K152 L153 Y154 G158 M159 L160 | V144-W156 HydrophobicContact CG2-CZ2 4.03Å; L151-W156 HydrophobicContact CD1-CZ2 4.48Å; L151-W156 PolarHBondContact O-NE1 2.88Å; K152-W156 PolarHBondContact O-N 3.18Å; L153-W156 WeakPolarHBondContact O-CB 3.48Å; L153-W156 PolarHBondContact O-N 3.04Å; L153-W156 VanDerWaalsContact O-N 3.13Å; Y154-W156 VanDerWaalsContact C-N 3.34Å; W156-G158 VanDerWaalsContact C-N 3.32Å; W156-G158 PolarHBondContact O-N 3.38Å; W156-M159 HydrophobicContact CD2-CE 3.67Å; W156-M159 HydrophobicContact CE3-CE 3.37Å; W156-M159 HydrophobicContact CG-CE 4.22Å; W156-M159 HydrophobicContact CH2-CE 4.35Å; W156-M159 HydrophobicContact CZ3-CE 3.74Å; W156-M159 PolarHBondContact O-N 3.33Å; W156-L160 PolarHBondContact O-N 2.86Å |
| 157 | L | 90.2 | Very high | 89.3 | Confident | 88 Ų | 88 | 60 Ų | 60 | 46% | 0.461 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.8 | -40.1 | 175.4 | -66.8 | 175.6 | 0 | 0 | 0 | 112 | L153 Y154 L160 L161 | L153-L157 HydrophobicContact CG-CD1 4.43Å; L153-L157 WeakPolarHBondContact O-CG 3.32Å; L153-L157 PolarHBondContact O-N 3.47Å; Y154-L157 PolarHBondContact O-N 3.48Å; L157-L160 PolarHBondContact O-N 3.38Å; L157-L161 WeakPolarHBondContact O-CG 3.47Å; L157-L161 PolarHBondContact O-N 3.22Å |
| 158 | G | 87.9 | Confident | 88.8 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59.6 | -46.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y154 K155 W156 L160 L161 V162 G362 | Y154-G158 PolarHBondContact O-N 3.13Å; K155-G158 PolarHBondContact O-N 3.1Å; W156-G158 VanDerWaalsContact C-N 3.32Å; W156-G158 PolarHBondContact O-N 3.38Å; G158-L160 VanDerWaalsContact C-N 3.35Å; G158-L160 PolarHBondContact O-N 3.19Å; G158-L161 PolarHBondContact O-N 2.95Å; G158-V162 WeakPolarHBondContact O-CG2 3.36Å; G158-V162 PolarHBondContact O-N 3.37Å; G158-G362 VanDerWaalsContact CA-O 3.22Å; G158-G362 WeakPolarHBondContact CA-O 3.44Å |
| 159 | M | 90.6 | Very high | 88.2 | Confident | 7 Ų | 7 | 57.6 Ų | 57.6 | 3% | 0.034 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.8 | -38.9 | 175.3 | -70 | -173.5 | -65.5 | 0 | 0 | 112.7 | I137 L151 K155 W156 V162 L163 Y366 | I137-M159 HydrophobicContact CG1-CB 4.49Å; L151-M159 HydrophobicContact CD1-CE 3.66Å; L151-M159 HydrophobicContact CD1-SD 4.46Å; K155-M159 WeakPolarHBondContact O-CG 3.47Å; K155-M159 PolarHBondContact O-N 2.82Å; W156-M159 HydrophobicContact CD2-CE 3.67Å; W156-M159 HydrophobicContact CE3-CE 3.37Å; W156-M159 HydrophobicContact CG-CE 4.22Å; W156-M159 HydrophobicContact CH2-CE 4.35Å; W156-M159 HydrophobicContact CZ3-CE 3.74Å; W156-M159 PolarHBondContact O-N 3.33Å; M159-V162 PolarHBondContact O-N 3.43Å; M159-L163 PolarHBondContact O-N 2.89Å; M159-Y366 HydrophobicContact CG-CD2 3.89Å; M159-Y366 HydrophobicContact CG-CE2 3.84Å; M159-Y366 HydrophobicContact SD-CE2 4.13Å |
| 160 | L | 91.4 | Very high | 87.6 | Confident | 98 Ų | 98 | 56.7 Ų | 56.7 | 51% | 0.513 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63 | -42.5 | 175.9 | -178.4 | 65.4 | 0 | 0 | 0 | 111.7 | W156 L157 G158 L163 C164 | W156-L160 PolarHBondContact O-N 2.86Å; L157-L160 PolarHBondContact O-N 3.38Å; G158-L160 VanDerWaalsContact C-N 3.35Å; G158-L160 PolarHBondContact O-N 3.19Å; L160-L163 WeakPolarHBondContact O-CB 3.34Å; L160-L163 PolarHBondContact O-N 3.38Å; L160-C164 PolarHBondContact O-N 3.28Å; L160-C164 PolarHBondContact O-SG 3.32Å; L160-C164 VanDerWaalsContact O-SG 3.33Å |
| 161 | L | 89.1 | Confident | 87.3 | Confident | 52 Ų | 52 | 54.1 Ų | 54.1 | 27% | 0.272 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -65 | -41.2 | 175.6 | -73.5 | 171 | 0 | 0 | 0 | 112.1 | L157 G158 L163 C164 G165 V358 F361 I365 | L157-L161 WeakPolarHBondContact O-CG 3.47Å; L157-L161 PolarHBondContact O-N 3.22Å; G158-L161 PolarHBondContact O-N 2.95Å; L161-L163 VanDerWaalsContact C-N 3.28Å; L161-L163 PolarHBondContact O-N 2.86Å; L161-C164 PolarHBondContact O-N 2.98Å; L161-G165 PolarHBondContact O-N 3.45Å; L161-V358 WeakPolarHBondContact O-CG1 3.4Å; L161-F361 HydrophobicContact CD1-CD1 3.97Å; L161-F361 HydrophobicContact CD1-CE1 4.17Å; L161-I365 HydrophobicContact CD1-CD1 3.32Å |
| 162 | V | 87.6 | Confident | 86.9 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.8 | -43.9 | 172.9 | 175.3 | 0 | 0 | 0 | 0 | 110.1 | I137 G158 M159 C164 G165 L166 L359 M363 | I137-V162 HydrophobicContact CD1-CB 4.29Å; I137-V162 HydrophobicContact CD1-CG1 3.87Å; I137-V162 HydrophobicContact CG1-CB 4.24Å; I137-V162 HydrophobicContact CG1-CG1 3.96Å; G158-V162 WeakPolarHBondContact O-CG2 3.36Å; G158-V162 PolarHBondContact O-N 3.37Å; M159-V162 PolarHBondContact O-N 3.43Å; V162-C164 PolarHBondContact O-N 3.28Å; V162-G165 PolarHBondContact O-N 3.23Å; V162-G165 VanDerWaalsContact O-N 3.17Å; V162-L166 HydrophobicContact CG1-CD1 4.35Å; V162-L166 WeakPolarHBondContact O-CG 3.45Å; V162-L166 PolarHBondContact O-N 3.35Å; V162-L359 HydrophobicContact CB-CD2 4.34Å; V162-L359 HydrophobicContact CG1-CD2 3.7Å; V162-L359 WeakPolarHBondContact O-CD2 3.26Å; V162-M363 HydrophobicContact CG2-CG 3.93Å |
| 163 | L | 90.9 | Very high | 86.2 | Confident | 82 Ų | 82 | 48.1 Ų | 48.1 | 43% | 0.429 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -59.5 | -46.4 | 176.8 | -178.1 | 62.2 | 0 | 0 | 0 | 111.9 | I137 M159 L160 L161 G165 L166 V167 | I137-L163 HydrophobicContact CD1-CB 3.8Å; I137-L163 HydrophobicContact CD1-CD1 4.14Å; M159-L163 PolarHBondContact O-N 2.89Å; L160-L163 WeakPolarHBondContact O-CB 3.34Å; L160-L163 PolarHBondContact O-N 3.38Å; L161-L163 VanDerWaalsContact C-N 3.28Å; L161-L163 PolarHBondContact O-N 2.86Å; L163-G165 VanDerWaalsContact C-N 3.3Å; L163-G165 PolarHBondContact O-N 3.36Å; L163-L166 PolarHBondContact O-N 2.86Å; L163-V167 WeakPolarHBondContact O-CG2 3.24Å; L163-V167 PolarHBondContact O-N 3.5Å |
| 164 | C | 89.5 | Confident | 85.7 | Confident | 57 Ų | 57 | 46.2 Ų | 46.2 | 39% | 0.385 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -58.2 | -43.4 | 175.1 | -67.5 | 0 | 0 | 0 | 0 | 111.8 | L160 L161 V162 L166 V167 I168 V358 | L160-C164 PolarHBondContact O-N 3.28Å; L160-C164 PolarHBondContact O-SG 3.32Å; L160-C164 VanDerWaalsContact O-SG 3.33Å; L161-C164 PolarHBondContact O-N 2.98Å; V162-C164 PolarHBondContact O-N 3.28Å; C164-L166 PolarHBondContact O-N 3.15Å; C164-V167 PolarHBondContact O-N 3.13Å; C164-I168 VanDerWaalsContact O-CG1 3.28Å; C164-I168 WeakPolarHBondContact O-CG1 3.19Å; C164-I168 PolarHBondContact O-N 2.87Å; C164-V358 HydrophobicContact CB-CG1 4.39Å |
| 165 | G | 85.9 | Confident | 85.3 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.5 | -42.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L161 V162 L163 I168 V169 | L161-G165 PolarHBondContact O-N 3.45Å; V162-G165 PolarHBondContact O-N 3.23Å; V162-G165 VanDerWaalsContact O-N 3.17Å; L163-G165 VanDerWaalsContact C-N 3.3Å; L163-G165 PolarHBondContact O-N 3.36Å; G165-I168 PolarHBondContact O-N 2.83Å; G165-V169 VanDerWaalsContact O-CG2 3.3Å; G165-V169 WeakPolarHBondContact O-CG2 3.49Å; G165-V169 PolarHBondContact O-N 2.92Å |
| 166 | L | 87.4 | Confident | 84.5 | Confident | 16 Ų | 16 | 47.4 Ų | 47.4 | 8% | 0.084 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.7 | -42.3 | 176 | -66.6 | 170.1 | 0 | 0 | 0 | 112.2 | M130 L131 A134 I137 V162 L163 C164 I168 V169 G170 L359 | M130-L166 WeakPolarHBondContact O-CD2 3.48Å; L131-L166 HydrophobicContact CD2-CD2 4.29Å; A134-L166 HydrophobicContact CB-CD1 3.44Å; A134-L166 VanDerWaalsContact CB-CD1 3.44Å; A134-L166 HydrophobicContact CB-CD2 4.13Å; A134-L166 HydrophobicContact CB-CG 4.43Å; I137-L166 HydrophobicContact CD1-CD1 3.56Å; V162-L166 HydrophobicContact CG1-CD1 4.35Å; V162-L166 WeakPolarHBondContact O-CG 3.45Å; V162-L166 PolarHBondContact O-N 3.35Å; L163-L166 PolarHBondContact O-N 2.86Å; C164-L166 PolarHBondContact O-N 3.15Å; L166-I168 VanDerWaalsContact C-N 3.32Å; L166-I168 PolarHBondContact O-N 3.46Å; L166-V169 PolarHBondContact O-N 2.94Å; L166-G170 PolarHBondContact O-N 3.27Å; L166-L359 HydrophobicContact CD2-CD1 4.48Å; L166-L359 HydrophobicContact CD2-CD2 3.87Å; L166-L359 HydrophobicContact CG-CD2 3.77Å |
| 167 | V | 88.1 | Confident | 83.2 | Confident | 89 Ų | 89 | 42.4 Ų | 42.4 | 54% | 0.539 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.5 | -41.9 | 177.5 | 172.2 | 0 | 0 | 0 | 0 | 110.6 | L163 C164 G170 L171 | L163-V167 WeakPolarHBondContact O-CG2 3.24Å; L163-V167 PolarHBondContact O-N 3.5Å; C164-V167 PolarHBondContact O-N 3.13Å; V167-G170 PolarHBondContact O-N 3.01Å; V167-L171 WeakPolarHBondContact O-CB 3.42Å; V167-L171 PolarHBondContact O-N 3.3Å |
| 168 | I | 84.5 | Confident | 81.8 | Confident | 58 Ų | 58 | 44.9 Ų | 44.9 | 30% | 0.297 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61.9 | -44.3 | 175.9 | -68 | 164.5 | 0 | 0 | 0 | 110.9 | C164 G165 L166 S172 F351 | C164-I168 VanDerWaalsContact O-CG1 3.28Å; C164-I168 WeakPolarHBondContact O-CG1 3.19Å; C164-I168 PolarHBondContact O-N 2.87Å; G165-I168 PolarHBondContact O-N 2.83Å; L166-I168 VanDerWaalsContact C-N 3.32Å; L166-I168 PolarHBondContact O-N 3.46Å; I168-S172 WeakPolarHBondContact O-CB 3.49Å; I168-S172 PolarHBondContact O-N 2.96Å; I168-F351 HydrophobicContact CG2-CD1 4.31Å |
| 169 | V | 80.1 | Confident | 80.3 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.9 | -49.1 | 178.6 | 171.4 | 0 | 0 | 0 | 0 | 111.1 | M130 G165 L166 L171 S172 D173 L359 | M130-V169 HydrophobicContact CB-CB 4.49Å; M130-V169 HydrophobicContact CB-CG1 3.86Å; M130-V169 HydrophobicContact CB-CG2 4.09Å; M130-V169 HydrophobicContact CG-CG1 4.39Å; M130-V169 HydrophobicContact CG-CG2 4.2Å; M130-V169 HydrophobicContact SD-CB 4.26Å; M130-V169 HydrophobicContact SD-CG1 3.65Å; M130-V169 HydrophobicContact SD-CG2 3.49Å; M130-V169 WeakPolarHBondContact SD-CG2 3.3Å; G165-V169 VanDerWaalsContact O-CG2 3.3Å; G165-V169 WeakPolarHBondContact O-CG2 3.49Å; G165-V169 PolarHBondContact O-N 2.92Å; L166-V169 PolarHBondContact O-N 2.94Å; V169-L171 PolarHBondContact O-N 3.2Å; V169-S172 VanDerWaalsContact O-CB 3.28Å; V169-S172 WeakPolarHBondContact O-CB 3.28Å; V169-S172 PolarHBondContact O-N 3.36Å; V169-D173 PolarHBondContact O-N 3.18Å; V169-D173 VanDerWaalsContact O-N 3.1Å; V169-L359 HydrophobicContact CG2-CD1 4.26Å |
| 170 | G | 79.1 | Confident | 78.4 | Confident | 22 Ų | 22 | 47.6 Ų | 47.6 | 23% | 0.227 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.1 | -37.9 | 179 | 0 | 0 | 0 | 0 | 0 | 113.1 | L166 V167 S172 D173 L174 | L166-G170 PolarHBondContact O-N 3.27Å; V167-G170 PolarHBondContact O-N 3.01Å; G170-S172 VanDerWaalsContact C-N 3.31Å; G170-S172 PolarHBondContact O-N 2.85Å; G170-D173 PolarHBondContact O-N 2.89Å; G170-L174 PolarHBondContact O-N 3.49Å; G170-L174 VanDerWaalsContact O-N 3.13Å |
| 171 | L | 82.3 | Confident | 76.4 | Confident | 84 Ų | 84 | 46.5 Ų | 46.5 | 44% | 0.44 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -67.6 | -33.7 | 174.5 | -174.5 | 62.4 | 0 | 0 | 0 | 111.7 | V167 V169 D173 L174 L175 | V167-L171 WeakPolarHBondContact O-CB 3.42Å; V167-L171 PolarHBondContact O-N 3.3Å; V169-L171 PolarHBondContact O-N 3.2Å; L171-D173 VanDerWaalsContact C-N 3.35Å; L171-L174 PolarHBondContact O-N 3.1Å; L171-L175 HydrophobicContact CD1-CD1 4.17Å; L171-L175 HydrophobicContact CD1-CD2 4.44Å; L171-L175 HydrophobicContact CD1-CG 3.95Å; L171-L175 HydrophobicContact CD2-CD1 4.23Å; L171-L175 HydrophobicContact CG-CD1 3.78Å; L171-L175 HydrophobicContact CG-CG 4.03Å; L171-L175 WeakPolarHBondContact O-CB 3.24Å; L171-L175 WeakPolarHBondContact O-CG 3.41Å; L171-L175 PolarHBondContact O-N 3.2Å |
| 172 | S | 78.2 | Confident | 74.6 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.9 | -44.7 | 171.9 | -171.6 | 0 | 0 | 0 | 0 | 110.7 | I168 V169 G170 L174 F176 | I168-S172 WeakPolarHBondContact O-CB 3.49Å; I168-S172 PolarHBondContact O-N 2.96Å; V169-S172 VanDerWaalsContact O-CB 3.28Å; V169-S172 WeakPolarHBondContact O-CB 3.28Å; V169-S172 PolarHBondContact O-N 3.36Å; G170-S172 VanDerWaalsContact C-N 3.31Å; G170-S172 PolarHBondContact O-N 2.85Å; S172-L174 VanDerWaalsContact C-N 3.31Å; S172-L174 PolarHBondContact O-N 3.38Å; S172-F176 VanDerWaalsContact O-CB 3.24Å; S172-F176 WeakPolarHBondContact O-CB 3.39Å; S172-F176 WeakPolarHBondContact O-CD2 3.5Å; S172-F176 PolarHBondContact O-N 3.4Å; S172-F176 WeakPolarHBondContact OG-CD2 3.27Å |
| 173 | D | 74.3 | Confident | 72.7 | Confident | 11 Ų | 11 | 55.5 Ų | 55.5 | 6% | 0.059 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.4 | -39.5 | 176.4 | -75.8 | -40.9 | 0 | 0 | 0 | 112.5 | S127 V169 G170 L171 A177 M189 K352 | S127-D173 VanDerWaalsContact CB-OD2 3.3Å; S127-D173 WeakPolarHBondContact CB-OD2 3.24Å; S127-D173 VanDerWaalsContact OG-CG 3.26Å; S127-D173 PolarHBondContact OG-OD1 3.24Å; S127-D173 PolarHBondContact OG-OD2 2.98Å; V169-D173 PolarHBondContact O-N 3.18Å; V169-D173 VanDerWaalsContact O-N 3.1Å; G170-D173 PolarHBondContact O-N 2.89Å; L171-D173 VanDerWaalsContact C-N 3.35Å; D173-A177 WeakPolarHBondContact O-CB 3.33Å; D173-A177 PolarHBondContact O-N 3.1Å; D173-A177 VanDerWaalsContact O-N 3.11Å; D173-M189 HydrophobicContact CB-CE 4.4Å; D173-K352 WeakPolarHBondContact OD1-CE 3.48Å; D173-K352 IonicContact OD1-NZ 3.66Å; D173-K352 PolarHBondContact OD1-NZ 3.27Å; D173-K352 IonicContact OD2-NZ 3.34Å |
| 174 | L | 77.5 | Confident | 71.2 | Confident | 90 Ų | 90 | 53.2 Ų | 53.2 | 47% | 0.471 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -68.1 | -53.9 | 177.1 | -69.9 | 174.7 | 0 | 0 | 0 | 113.9 | G170 L171 S172 F176 A177 I190 | G170-L174 PolarHBondContact O-N 3.49Å; G170-L174 VanDerWaalsContact O-N 3.13Å; L171-L174 PolarHBondContact O-N 3.1Å; S172-L174 VanDerWaalsContact C-N 3.31Å; S172-L174 PolarHBondContact O-N 3.38Å; L174-F176 PolarHBondContact O-N 2.96Å; L174-A177 PolarHBondContact O-N 3.33Å; L174-I190 HydrophobicContact CD2-CD1 3.3Å; L174-I190 HydrophobicContact CD2-CG1 3.51Å |
| 175 | L | 78.3 | Confident | 70.4 | Confident | 104 Ų | 104 | 54.6 Ų | 54.6 | 55% | 0.545 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64.2 | -26.3 | -174.4 | -72.3 | 176.8 | 0 | 0 | 0 | 112.6 | L171 | L171-L175 HydrophobicContact CD1-CD1 4.17Å; L171-L175 HydrophobicContact CD1-CD2 4.44Å; L171-L175 HydrophobicContact CD1-CG 3.95Å; L171-L175 HydrophobicContact CD2-CD1 4.23Å; L171-L175 HydrophobicContact CG-CD1 3.78Å; L171-L175 HydrophobicContact CG-CG 4.03Å; L171-L175 WeakPolarHBondContact O-CB 3.24Å; L171-L175 WeakPolarHBondContact O-CG 3.41Å; L171-L175 PolarHBondContact O-N 3.2Å |
| 176 | F | 70.4 | Confident | 70.1 | Confident | 23 Ų | 23 | 56.6 Ų | 56.6 | 10% | 0.101 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -109.2 | -0.8 | -173.2 | -67.8 | -62.1 | 0 | 0 | 0 | 113.3 | S172 L174 D178 S179 I344 L347 K348 F351 | S172-F176 VanDerWaalsContact O-CB 3.24Å; S172-F176 WeakPolarHBondContact O-CB 3.39Å; S172-F176 WeakPolarHBondContact O-CD2 3.5Å; S172-F176 PolarHBondContact O-N 3.4Å; S172-F176 WeakPolarHBondContact OG-CD2 3.27Å; L174-F176 PolarHBondContact O-N 2.96Å; F176-D178 VanDerWaalsContact C-N 3.25Å; F176-D178 PolarHBondContact O-N 3.16Å; F176-S179 PolarHBondContact O-N 3.18Å; F176-I344 HydrophobicContact CD1-CG2 3.49Å; F176-I344 VanDerWaalsContact CD1-CG2 3.49Å; F176-I344 HydrophobicContact CE1-CG2 3.79Å; F176-L347 HydrophobicContact CE1-CB 4.14Å; F176-L347 HydrophobicContact CE1-CD2 4.48Å; F176-L347 HydrophobicContact CZ-CB 3.89Å; F176-L347 HydrophobicContact CZ-CD2 4.25Å; F176-L347 HydrophobicContact CZ-CG 4.4Å; F176-K348 HydrophobicContact CB-CD 3.69Å; F176-K348 VanDerWaalsContact CB-CE 3.47Å; F176-K348 HydrophobicContact CB-CG 3.29Å; F176-K348 HydrophobicContact CD1-CD 4.42Å; F176-K348 HydrophobicContact CD1-CG 3.48Å; F176-K348 VanDerWaalsContact CD1-CG 3.48Å; F176-K348 HydrophobicContact CD2-CB 4.07Å; F176-K348 HydrophobicContact CD2-CG 3.39Å; F176-K348 HydrophobicContact CE1-CG 4.06Å; F176-K348 HydrophobicContact CE2-CB 4.35Å; F176-K348 HydrophobicContact CE2-CG 4.02Å; F176-K348 HydrophobicContact CG-CB 4.24Å; F176-K348 HydrophobicContact CG-CD 4.06Å; F176-K348 HydrophobicContact CG-CG 3.11Å; F176-K348 HydrophobicContact CZ-CG 4.31Å; F176-K348 WeakPolarHBondContact O-CE 3.14Å; F176-K348 PolarHBondContact O-NZ 3.38Å; F176-F351 HydrophobicContact CE2-CB 4.29Å; F176-F351 HydrophobicContact CE2-CD2 4.48Å; F176-F351 HydrophobicContact CE2-CG 4.35Å |
| 177 | A | 64.9 | Low | 69.9 | Low | 9 Ų | 9 | 63 Ų | 63 | 7% | 0.074 | 38% | 0.376 | C | S | . | . | G | 310 helix | trans | -52.7 | -43.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | D173 L174 S179 S180 P186 | D173-A177 WeakPolarHBondContact O-CB 3.33Å; D173-A177 PolarHBondContact O-N 3.1Å; D173-A177 VanDerWaalsContact O-N 3.11Å; L174-A177 PolarHBondContact O-N 3.33Å; A177-S179 VanDerWaalsContact C-N 3.26Å; A177-S179 PolarHBondContact O-N 2.97Å; A177-S180 PolarHBondContact O-OG 3.33Å; A177-P186 HydrophobicContact CB-CB 3.66Å; A177-P186 HydrophobicContact CB-CG 3.71Å |
| 178 | D | 60.5 | Low | 69.8 | Low | 141 Ų | 141 | 64.2 Ų | 64.2 | 75% | 0.754 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | -71.8 | -16.2 | -177.5 | -61.1 | -26.7 | 0 | 0 | 0 | 114.2 | F176 | F176-D178 VanDerWaalsContact C-N 3.25Å; F176-D178 PolarHBondContact O-N 3.16Å |
| 179 | S | 55.2 | Low | 69.8 | Low | 35 Ų | 35 | 62 Ų | 62 | 25% | 0.245 | 36% | 0.359 | C | S | . | . | G | 310 helix | trans | -100.4 | -13.7 | -168.7 | -54.9 | 0 | 0 | 0 | 0 | 114.7 | F176 A177 L341 | F176-S179 PolarHBondContact O-N 3.18Å; A177-S179 VanDerWaalsContact C-N 3.26Å; A177-S179 PolarHBondContact O-N 2.97Å; S179-L341 WeakPolarHBondContact O-CD1 3.42Å |
| 180 | S | 50.7 | Low | 70.1 | Confident | 29 Ų | 29 | 65.2 Ų | 65.2 | 20% | 0.203 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -83.6 | 119.7 | 168.4 | 25.9 | 0 | 0 | 0 | 0 | 106.5 | A177 D182 K348 | A177-S180 PolarHBondContact O-OG 3.33Å; S180-D182 PolarHBondContact O-N 2.69Å; S180-K348 VanDerWaalsContact CB-NZ 3.33Å; S180-K348 PolarHBondContact OG-NZ 2.7Å |
| 181 | G | 50.7 | Low | 70.7 | Confident | 74 Ų | 74 | 66.6 Ų | 66.6 | 76% | 0.763 | 38% | 0.382 | S | S | * | . | trans | -61.2 | 10.3 | 168.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | S183 | G181-S183 PolarHBondContact O-N 2.95Š| ||
| 182 | D | 51.6 | Low | 71.1 | Confident | 111 Ų | 111 | 62.6 Ų | 62.6 | 59% | 0.594 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -66.3 | 120 | 161.3 | -84.4 | -27.9 | 0 | 0 | 0 | 107.6 | S180 A184 | S180-D182 PolarHBondContact O-N 2.69Å; D182-A184 HydrophobicContact CB-CB 4.39Å; D182-A184 PolarHBondContact O-N 3.37Å |
| 183 | S | 47.4 | Very low | 71.7 | Confident | 131 Ų | 131 | 63.3 Ų | 63.3 | 92% | 0.916 | 37% | 0.365 | S | S | * | . | trans | -64.3 | 22.5 | 174.9 | -35.7 | 0 | 0 | 0 | 0 | 113.7 | G181 D185 | G181-S183 PolarHBondContact O-N 2.95Å; S183-D185 PolarHBondContact O-N 3.37Å | ||
| 184 | A | 58 | Low | 72.6 | Confident | 34 Ų | 34 | 67.4 Ų | 67.4 | 28% | 0.281 | 39% | 0.386 | S | S | . | . | trans | -77 | 106 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109 | D182 M189 | D182-A184 HydrophobicContact CB-CB 4.39Å; D182-A184 PolarHBondContact O-N 3.37Å; A184-M189 HydrophobicContact CB-CG 4.43Å; A184-M189 HydrophobicContact CB-SD 4.34Å | ||
| 185 | D | 74.6 | Confident | 73.4 | Confident | 85 Ų | 85 | 65.6 Ų | 65.6 | 46% | 0.455 | 38% | 0.377 | S | S | . | . | trans | -46.8 | 123.9 | 172.6 | -176.4 | -12.8 | 0 | 0 | 0 | 110.3 | S183 K187 R188 M189 | S183-D185 PolarHBondContact O-N 3.37Å; D185-K187 PolarHBondContact O-N 2.93Å; D185-K187 WeakPolarHBondContact OD1-CB 3.4Å; D185-K187 WeakPolarHBondContact OD1-CG 3.48Å; D185-K187 PolarHBondContact OD1-N 3.07Å; D185-R188 HydrophobicContact CB-CB 4.29Å; D185-R188 WeakPolarHBondContact O-CA 3.39Å; D185-R188 WeakPolarHBondContact O-CB 3.46Å; D185-R188 PolarHBondContact O-N 2.96Å; D185-M189 PolarHBondContact O-N 3.44Å | ||
| 186 | P | 78.2 | Confident | 74.1 | Confident | 42 Ų | 42 | 60.7 Ų | 60.7 | 27% | 0.273 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -47.2 | -35.6 | 175.7 | -28 | 32.1 | 0 | 0 | 0 | 112.9 | A177 R188 M189 I190 | A177-P186 HydrophobicContact CB-CB 3.66Å; A177-P186 HydrophobicContact CB-CG 3.71Å; P186-R188 VanDerWaalsContact C-N 3.33Å; P186-R188 PolarHBondContact O-N 3.33Å; P186-M189 PolarHBondContact O-N 2.99Å; P186-I190 WeakPolarHBondContact O-CD1 3.46Å; P186-I190 VanDerWaalsContact O-CG1 3.24Å; P186-I190 WeakPolarHBondContact O-CG1 3.41Å; P186-I190 PolarHBondContact O-N 3.03Å |
| 187 | K | 83.5 | Confident | 75.3 | Confident | 152 Ų | 152 | 62 Ų | 62 | 66% | 0.661 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -64 | -35.8 | 177.9 | -63.3 | 175.7 | -179.3 | 175.2 | 0 | 112.7 | D185 S191 | D185-K187 PolarHBondContact O-N 2.93Å; D185-K187 WeakPolarHBondContact OD1-CB 3.4Å; D185-K187 WeakPolarHBondContact OD1-CG 3.48Å; D185-K187 PolarHBondContact OD1-N 3.07Å; K187-S191 VanDerWaalsContact O-CB 3.31Å; K187-S191 WeakPolarHBondContact O-CB 3.36Å; K187-S191 PolarHBondContact O-N 3.36Å; K187-S191 PolarHBondContact O-OG 3.25Å |
| 188 | R | 86 | Confident | 76.8 | Confident | 113 Ų | 113 | 65.7 Ų | 65.7 | 43% | 0.426 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -67.7 | -43.8 | 178 | -177.8 | 179 | 172.2 | -170.4 | -5 | 110.7 | T121 M122 D185 P186 S191 G192 | T121-R188 PolarHBondContact O-NH2 3.33Å; M122-R188 HydrophobicContact CB-CG 4.18Å; M122-R188 HydrophobicContact CE-CG 4.22Å; M122-R188 HydrophobicContact CG-CG 4.36Å; D185-R188 HydrophobicContact CB-CB 4.29Å; D185-R188 WeakPolarHBondContact O-CA 3.39Å; D185-R188 WeakPolarHBondContact O-CB 3.46Å; D185-R188 PolarHBondContact O-N 2.96Å; P186-R188 VanDerWaalsContact C-N 3.33Å; P186-R188 PolarHBondContact O-N 3.33Å; R188-S191 PolarHBondContact O-N 2.74Å; R188-G192 PolarHBondContact O-N 2.82Å |
| 189 | M | 84.7 | Confident | 78.5 | Confident | 12 Ų | 12 | 59 Ų | 59 | 6% | 0.059 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.1 | -49.3 | 177.5 | -70.8 | -178.5 | 60.5 | 0 | 0 | 111.6 | N124 D173 A184 D185 P186 S191 G192 D193 | N124-M189 WeakPolarHBondContact ND2-CE 3.41Å; D173-M189 HydrophobicContact CB-CE 4.4Å; A184-M189 HydrophobicContact CB-CG 4.43Å; A184-M189 HydrophobicContact CB-SD 4.34Å; D185-M189 PolarHBondContact O-N 3.44Å; P186-M189 PolarHBondContact O-N 2.99Å; M189-S191 VanDerWaalsContact C-N 3.28Å; M189-S191 PolarHBondContact O-N 2.94Å; M189-G192 WeakPolarHBondContact O-CA 3.21Å; M189-G192 PolarHBondContact O-N 3.43Å; M189-D193 PolarHBondContact O-N 2.67Å |
| 190 | I | 87.1 | Confident | 80.5 | Confident | 67 Ų | 67 | 57.4 Ų | 57.4 | 34% | 0.344 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -58 | -42.7 | 177 | -63.4 | 162.5 | 0 | 0 | 0 | 111 | L174 P186 G192 D193 L194 | L174-I190 HydrophobicContact CD2-CD1 3.3Å; L174-I190 HydrophobicContact CD2-CG1 3.51Å; P186-I190 WeakPolarHBondContact O-CD1 3.46Å; P186-I190 VanDerWaalsContact O-CG1 3.24Å; P186-I190 WeakPolarHBondContact O-CG1 3.41Å; P186-I190 PolarHBondContact O-N 3.03Å; I190-G192 VanDerWaalsContact C-N 3.31Å; I190-G192 PolarHBondContact O-N 3.38Å; I190-D193 PolarHBondContact O-N 2.87Å; I190-L194 HydrophobicContact CG2-CD1 4.17Å; I190-L194 HydrophobicContact CG2-CG 4.41Å; I190-L194 WeakPolarHBondContact O-CG 3.32Å; I190-L194 PolarHBondContact O-N 3.41Å |
| 191 | S | 90.2 | Very high | 82.7 | Confident | 52 Ų | 52 | 58.8 Ų | 58.8 | 36% | 0.364 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.8 | -39.4 | 177.2 | -59.6 | 0 | 0 | 0 | 0 | 111.7 | K187 R188 M189 L194 L195 | K187-S191 VanDerWaalsContact O-CB 3.31Å; K187-S191 WeakPolarHBondContact O-CB 3.36Å; K187-S191 PolarHBondContact O-N 3.36Å; K187-S191 PolarHBondContact O-OG 3.25Å; R188-S191 PolarHBondContact O-N 2.74Å; M189-S191 VanDerWaalsContact C-N 3.28Å; M189-S191 PolarHBondContact O-N 2.94Å; S191-L194 PolarHBondContact O-N 3.32Å; S191-L195 WeakPolarHBondContact O-CG 3.46Å; S191-L195 PolarHBondContact O-N 2.83Å |
| 192 | G | 91.2 | Very high | 84.9 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.6 | -45.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | R188 M189 I190 L195 I196 | R188-G192 PolarHBondContact O-N 2.82Å; M189-G192 WeakPolarHBondContact O-CA 3.21Å; M189-G192 PolarHBondContact O-N 3.43Å; I190-G192 VanDerWaalsContact C-N 3.31Å; I190-G192 PolarHBondContact O-N 3.38Å; G192-L195 PolarHBondContact O-N 3.29Å; G192-I196 WeakPolarHBondContact O-CD1 3.45Å; G192-I196 WeakPolarHBondContact O-CG1 3.45Å; G192-I196 PolarHBondContact O-N 2.96Å |
| 193 | D | 90.5 | Very high | 87.1 | Confident | 15 Ų | 15 | 52.4 Ų | 52.4 | 8% | 0.08 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.1 | -42.1 | 178.4 | -66 | -16.5 | 0 | 0 | 0 | 111.9 | T123 L131 M189 I190 I196 L197 | T123-D193 VanDerWaalsContact CB-OD1 3.25Å; T123-D193 WeakPolarHBondContact CB-OD1 3.3Å; T123-D193 PolarHBondContact OG1-OD1 2.89Å; L131-D193 HydrophobicContact CD1-CB 3.62Å; L131-D193 WeakPolarHBondContact CD1-OD1 3.36Å; M189-D193 PolarHBondContact O-N 2.67Å; I190-D193 PolarHBondContact O-N 2.87Å; D193-I196 PolarHBondContact O-N 2.81Å; D193-L197 WeakPolarHBondContact O-CG 3.48Å; D193-L197 PolarHBondContact O-N 3.45Å |
| 194 | L | 92.8 | Very high | 89.5 | Confident | 97 Ų | 97 | 46.2 Ų | 46.2 | 51% | 0.508 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.6 | -41.3 | 175 | -70.8 | 176.3 | 0 | 0 | 0 | 112.2 | I190 S191 I196 L197 I198 | I190-L194 HydrophobicContact CG2-CD1 4.17Å; I190-L194 HydrophobicContact CG2-CG 4.41Å; I190-L194 WeakPolarHBondContact O-CG 3.32Å; I190-L194 PolarHBondContact O-N 3.41Å; S191-L194 PolarHBondContact O-N 3.32Å; L194-I196 VanDerWaalsContact C-N 3.33Å; L194-I196 PolarHBondContact O-N 3.37Å; L194-L197 PolarHBondContact O-N 2.87Å; L194-I198 WeakPolarHBondContact O-CG1 3.27Å; L194-I198 PolarHBondContact O-N 3.38Å |
| 195 | L | 94.7 | Very high | 91.4 | Very high | 52 Ų | 52 | 47.8 Ų | 47.8 | 27% | 0.272 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.8 | -42.9 | 174.7 | -74.3 | 171.8 | 0 | 0 | 0 | 111.3 | I115 V118 M122 S191 G192 L197 I198 A199 | I115-L195 HydrophobicContact CG2-CB 3.94Å; I115-L195 HydrophobicContact CG2-CD2 4.13Å; I115-L195 WeakPolarHBondContact CG2-O 3.09Å; V118-L195 HydrophobicContact CG1-CD1 3.97Å; M122-L195 HydrophobicContact CE-CD1 4.43Å; M122-L195 HydrophobicContact SD-CD1 3.71Å; S191-L195 WeakPolarHBondContact O-CG 3.46Å; S191-L195 PolarHBondContact O-N 2.83Å; G192-L195 PolarHBondContact O-N 3.29Å; L195-L197 VanDerWaalsContact C-N 3.33Å; L195-L197 PolarHBondContact O-N 2.87Å; L195-I198 PolarHBondContact O-N 2.91Å; L195-A199 PolarHBondContact O-N 3.34Å |
| 196 | I | 94 | Very high | 92.4 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.7 | -39.1 | 178.3 | -66 | 159.3 | 0 | 0 | 0 | 111.1 | T123 F128 L131 G192 D193 L194 A199 Q200 | T123-I196 HydrophobicContact CG2-CD1 3.34Å; F128-I196 HydrophobicContact CB-CD1 4.23Å; F128-I196 HydrophobicContact CD2-CD1 3.74Å; F128-I196 HydrophobicContact CD2-CG1 4.16Å; F128-I196 HydrophobicContact CG-CD1 4.45Å; L131-I196 HydrophobicContact CB-CB 4.48Å; L131-I196 HydrophobicContact CB-CG2 3.65Å; L131-I196 HydrophobicContact CD1-CB 4.3Å; L131-I196 HydrophobicContact CD1-CD1 4.3Å; L131-I196 HydrophobicContact CD1-CG2 4.32Å; G192-I196 WeakPolarHBondContact O-CD1 3.45Å; G192-I196 WeakPolarHBondContact O-CG1 3.45Å; G192-I196 PolarHBondContact O-N 2.96Å; D193-I196 PolarHBondContact O-N 2.81Å; L194-I196 VanDerWaalsContact C-N 3.33Å; L194-I196 PolarHBondContact O-N 3.37Å; I196-A199 WeakPolarHBondContact O-CB 3.38Å; I196-A199 PolarHBondContact O-N 3.24Å; I196-Q200 VanDerWaalsContact O-CG 3.3Å; I196-Q200 WeakPolarHBondContact O-CG 3.32Å; I196-Q200 PolarHBondContact O-N 2.97Å; I196-Q200 PolarHBondContact O-NE2 3.45Å |
| 197 | L | 94.3 | Very high | 93.3 | Very high | 52 Ų | 52 | 42.8 Ų | 42.8 | 27% | 0.272 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -62.8 | -41.9 | 174 | -71.5 | 176.4 | 0 | 0 | 0 | 112.1 | L131 A134 D193 L194 L195 A199 Q200 I201 | L131-L197 HydrophobicContact CD2-CD2 4.08Å; L131-L197 HydrophobicContact CD2-CG 4.41Å; A134-L197 HydrophobicContact CB-CD2 3.86Å; D193-L197 WeakPolarHBondContact O-CG 3.48Å; D193-L197 PolarHBondContact O-N 3.45Å; L194-L197 PolarHBondContact O-N 2.87Å; L195-L197 VanDerWaalsContact C-N 3.33Å; L195-L197 PolarHBondContact O-N 2.87Å; L197-A199 VanDerWaalsContact C-N 3.34Å; L197-Q200 PolarHBondContact O-N 3.46Å; L197-I201 WeakPolarHBondContact O-CG1 3.32Å; L197-I201 PolarHBondContact O-N 3.34Å; L197-I201 VanDerWaalsContact O-N 3.11Å |
| 198 | I | 96.7 | Very high | 94 | Very high | 85 Ų | 85 | 35.7 Ų | 35.7 | 44% | 0.436 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -61.6 | -44.4 | 174 | -67.6 | 164.9 | 0 | 0 | 0 | 110.5 | I115 L194 L195 Q200 I201 I202 | I115-I198 HydrophobicContact CD1-CG2 4.48Å; L194-I198 WeakPolarHBondContact O-CG1 3.27Å; L194-I198 PolarHBondContact O-N 3.38Å; L195-I198 PolarHBondContact O-N 2.91Å; I198-Q200 VanDerWaalsContact C-N 3.29Å; I198-Q200 PolarHBondContact O-N 2.84Å; I198-I201 WeakPolarHBondContact O-CB 3.39Å; I198-I201 PolarHBondContact O-N 3.35Å; I198-I201 VanDerWaalsContact O-N 3.17Å; I198-I202 HydrophobicContact CG2-CD1 4.21Å; I198-I202 WeakPolarHBondContact O-CG1 3.15Å; I198-I202 PolarHBondContact O-N 3.29Å; I198-I202 VanDerWaalsContact O-N 3.12Å |
| 199 | A | 97.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58.5 | -41.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | A112 I115 M116 L195 I196 L197 I201 I202 I203 | A112-A199 HydrophobicContact CB-CB 4.37Å; A112-A199 WeakPolarHBondContact O-CB 3.44Å; I115-A199 HydrophobicContact CB-CB 4.14Å; I115-A199 HydrophobicContact CG2-CB 3.94Å; M116-A199 HydrophobicContact CB-CB 4.15Å; L195-A199 PolarHBondContact O-N 3.34Å; I196-A199 WeakPolarHBondContact O-CB 3.38Å; I196-A199 PolarHBondContact O-N 3.24Å; L197-A199 VanDerWaalsContact C-N 3.34Å; A199-I201 VanDerWaalsContact C-N 3.3Å; A199-I201 PolarHBondContact O-N 3.46Å; A199-I202 PolarHBondContact O-N 3.48Å; A199-I202 VanDerWaalsContact O-N 3.14Å; A199-I203 WeakPolarHBondContact O-CG1 3.46Å; A199-I203 PolarHBondContact O-N 3.19Å |
| 200 | Q | 95.7 | Very high | 95.1 | Very high | 3 Ų | 3 | 33 Ų | 33 | 1% | 0.014 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.6 | -34.5 | 178 | -67.7 | -21.4 | -90.9 | 0 | 0 | 112.5 | L131 R132 A134 T135 F138 I196 L197 I198 A204 | L131-Q200 WeakPolarHBondContact O-CG 3.24Å; R132-Q200 VanDerWaalsContact CA-OE1 3.31Å; R132-Q200 PolarHBondContact O-OE1 2.97Å; A134-Q200 HydrophobicContact CB-CB 4.36Å; A134-Q200 HydrophobicContact CB-CG 4.19Å; T135-Q200 WeakPolarHBondContact OG1-CA 3.31Å; T135-Q200 WeakPolarHBondContact OG1-CB 3.29Å; T135-Q200 VanDerWaalsContact OG1-CG 3.25Å; T135-Q200 WeakPolarHBondContact OG1-CG 3.28Å; T135-Q200 PolarHBondContact OG1-OE1 3.3Å; F138-Q200 HydrophobicContact CD2-CB 4.36Å; I196-Q200 VanDerWaalsContact O-CG 3.3Å; I196-Q200 WeakPolarHBondContact O-CG 3.32Å; I196-Q200 PolarHBondContact O-N 2.97Å; I196-Q200 PolarHBondContact O-NE2 3.45Å; L197-Q200 PolarHBondContact O-N 3.46Å; I198-Q200 VanDerWaalsContact C-N 3.29Å; I198-Q200 PolarHBondContact O-N 2.84Å; Q200-A204 VanDerWaalsContact O-CB 3.29Å; Q200-A204 WeakPolarHBondContact O-CB 3.34Å; Q200-A204 PolarHBondContact O-N 3.03Å |
| 201 | I | 97.5 | Very high | 95.5 | Very high | 57 Ų | 57 | 30.3 Ų | 30.3 | 29% | 0.292 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -65.1 | -43.6 | 173.6 | -65.5 | 167.7 | 0 | 0 | 0 | 110.6 | F138 F142 L197 I198 A199 A204 L205 | F138-I201 HydrophobicContact CD1-CG1 3.91Å; F138-I201 HydrophobicContact CD2-CG1 3.73Å; F138-I201 HydrophobicContact CE1-CD1 4.1Å; F138-I201 HydrophobicContact CE1-CG1 3.79Å; F138-I201 HydrophobicContact CE2-CD1 4.31Å; F138-I201 HydrophobicContact CE2-CG1 3.6Å; F138-I201 HydrophobicContact CG-CG1 3.88Å; F138-I201 HydrophobicContact CZ-CD1 3.93Å; F138-I201 HydrophobicContact CZ-CG1 3.64Å; F142-I201 HydrophobicContact CE2-CG2 4.1Å; F142-I201 HydrophobicContact CZ-CG2 4.07Å; L197-I201 WeakPolarHBondContact O-CG1 3.32Å; L197-I201 PolarHBondContact O-N 3.34Å; L197-I201 VanDerWaalsContact O-N 3.11Å; I198-I201 WeakPolarHBondContact O-CB 3.39Å; I198-I201 PolarHBondContact O-N 3.35Å; I198-I201 VanDerWaalsContact O-N 3.17Å; A199-I201 VanDerWaalsContact C-N 3.3Å; A199-I201 PolarHBondContact O-N 3.46Å; I201-A204 PolarHBondContact O-N 2.83Å; I201-L205 HydrophobicContact CG2-CD1 4.33Å; I201-L205 WeakPolarHBondContact O-CG 3.29Å; I201-L205 PolarHBondContact O-N 3.01Å |
| 202 | I | 98 | Very high | 95.8 | Very high | 34 Ų | 34 | 34 Ų | 34 | 17% | 0.174 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.8 | -44 | 179 | -62.6 | 168.4 | 0 | 0 | 0 | 110.8 | C108 T111 A112 I115 I198 A199 A204 L205 Q206 | C108-I202 HydrophobicContact CB-CG2 3.72Å; C108-I202 VanDerWaalsContact O-CG2 3.28Å; C108-I202 WeakPolarHBondContact O-CG2 3.47Å; T111-I202 HydrophobicContact CG2-CD1 4.2Å; A112-I202 HydrophobicContact CB-CB 3.96Å; A112-I202 HydrophobicContact CB-CG2 3.83Å; I115-I202 HydrophobicContact CD1-CD1 3.7Å; I198-I202 HydrophobicContact CG2-CD1 4.21Å; I198-I202 WeakPolarHBondContact O-CG1 3.15Å; I198-I202 PolarHBondContact O-N 3.29Å; I198-I202 VanDerWaalsContact O-N 3.12Å; A199-I202 PolarHBondContact O-N 3.48Å; A199-I202 VanDerWaalsContact O-N 3.14Å; I202-A204 VanDerWaalsContact C-N 3.35Å; I202-A204 PolarHBondContact O-N 3.36Å; I202-L205 PolarHBondContact O-N 3.36Å; I202-Q206 PolarHBondContact O-N 3.42Å |
| 203 | I | 97.2 | Very high | 96 | Very high | 18 Ų | 18 | 35.6 Ų | 35.6 | 9% | 0.092 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.7 | -47.7 | 174.4 | -63.3 | 171.4 | 0 | 0 | 0 | 109.7 | A112 T135 A199 L205 Q206 M207 M307 | A112-I203 HydrophobicContact CB-CD1 4.23Å; A112-I203 HydrophobicContact CB-CG1 3.55Å; T135-I203 HydrophobicContact CG2-CB 4.17Å; T135-I203 HydrophobicContact CG2-CG2 3.76Å; A199-I203 WeakPolarHBondContact O-CG1 3.46Å; A199-I203 PolarHBondContact O-N 3.19Å; I203-L205 VanDerWaalsContact C-N 3.3Å; I203-L205 PolarHBondContact O-N 3.36Å; I203-Q206 PolarHBondContact O-N 3.01Å; I203-Q206 VanDerWaalsContact O-N 3.11Å; I203-Q206 PolarHBondContact O-OE1 3.07Å; I203-M207 HydrophobicContact CG2-CE 3.77Å; I203-M207 HydrophobicContact CG2-CG 4.01Å; I203-M207 WeakPolarHBondContact O-CG 3.41Å; I203-M207 PolarHBondContact O-N 2.64Å; I203-M307 HydrophobicContact CG2-SD 4.36Å |
| 204 | A | 97.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -58.5 | -40.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | T135 F138 T139 F142 Q200 I201 I202 V208 | T135-A204 HydrophobicContact CG2-CB 4.33Å; F138-A204 HydrophobicContact CB-CB 3.43Å; F138-A204 VanDerWaalsContact CB-CB 3.43Å; T139-A204 WeakPolarHBondContact OG1-CA 3.35Å; T139-A204 WeakPolarHBondContact OG1-CB 3.36Å; F142-A204 HydrophobicContact CD2-CB 3.82Å; F142-A204 HydrophobicContact CE2-CB 4.01Å; Q200-A204 VanDerWaalsContact O-CB 3.29Å; Q200-A204 WeakPolarHBondContact O-CB 3.34Å; Q200-A204 PolarHBondContact O-N 3.03Å; I201-A204 PolarHBondContact O-N 2.83Å; I202-A204 VanDerWaalsContact C-N 3.35Å; I202-A204 PolarHBondContact O-N 3.36Å; A204-V208 WeakPolarHBondContact O-CB 3.31Å; A204-V208 WeakPolarHBondContact O-CG2 3.45Å; A204-V208 PolarHBondContact O-N 2.95Å; A204-V208 VanDerWaalsContact O-N 3.12Å |
| 205 | L | 97.4 | Very high | 96.3 | Very high | 68 Ų | 68 | 33.7 Ų | 33.7 | 36% | 0.356 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -62.5 | -46.1 | 173.9 | -74 | 170.8 | 0 | 0 | 0 | 111.7 | F142 F146 I201 I202 I203 V208 Y209 | F142-L205 HydrophobicContact CD1-CD2 4.48Å; F142-L205 HydrophobicContact CD2-CD2 3.75Å; F142-L205 HydrophobicContact CD2-CG 4.02Å; F142-L205 HydrophobicContact CE1-CD2 4.32Å; F142-L205 HydrophobicContact CE2-CD2 3.57Å; F142-L205 HydrophobicContact CE2-CG 3.57Å; F142-L205 HydrophobicContact CG-CD2 4.22Å; F142-L205 HydrophobicContact CZ-CD2 3.87Å; F142-L205 HydrophobicContact CZ-CG 4.14Å; F146-L205 HydrophobicContact CE2-CD2 4.1Å; I201-L205 HydrophobicContact CG2-CD1 4.33Å; I201-L205 WeakPolarHBondContact O-CG 3.29Å; I201-L205 PolarHBondContact O-N 3.01Å; I202-L205 PolarHBondContact O-N 3.36Å; I203-L205 VanDerWaalsContact C-N 3.3Å; I203-L205 PolarHBondContact O-N 3.36Å; L205-V208 PolarHBondContact O-N 2.83Å; L205-Y209 WeakPolarHBondContact O-CB 3.46Å; L205-Y209 PolarHBondContact O-N 3.42Å |
| 206 | Q | 97.2 | Very high | 96.3 | Very high | 7 Ų | 7 | 37.2 Ų | 37.2 | 3% | 0.033 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.7 | -46.9 | 177.2 | 165.1 | -100.5 | -16.5 | 0 | 0 | 111.7 | A105 C108 I202 I203 V208 Y209 E210 | A105-Q206 HydrophobicContact CB-CG 4.14Å; C108-Q206 HydrophobicContact CB-CB 3.7Å; C108-Q206 HydrophobicContact CB-CG 4.32Å; I202-Q206 PolarHBondContact O-N 3.42Å; I203-Q206 PolarHBondContact O-N 3.01Å; I203-Q206 VanDerWaalsContact O-N 3.11Å; I203-Q206 PolarHBondContact O-OE1 3.07Å; Q206-V208 PolarHBondContact O-N 2.99Å; Q206-Y209 PolarHBondContact O-N 3.22Å; Q206-E210 WeakPolarHBondContact CG-OE1 3.49Å; Q206-E210 PolarHBondContact NE2-OE1 3.26Å; Q206-E210 PolarHBondContact NE2-OE2 2.94Å; Q206-E210 WeakPolarHBondContact O-CB 3.37Å; Q206-E210 WeakPolarHBondContact O-CG 3.1Å; Q206-E210 PolarHBondContact O-N 3.42Å |
| 207 | M | 96.3 | Very high | 96.2 | Very high | 14 Ų | 14 | 39.4 Ų | 39.4 | 7% | 0.069 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.8 | -43.6 | 178.9 | -65.5 | -70.6 | 168.1 | 0 | 0 | 112.7 | T139 I203 Q211 A303 R306 M307 | T139-M207 HydrophobicContact CG2-CB 4.24Å; I203-M207 HydrophobicContact CG2-CE 3.77Å; I203-M207 HydrophobicContact CG2-CG 4.01Å; I203-M207 WeakPolarHBondContact O-CG 3.41Å; I203-M207 PolarHBondContact O-N 2.64Å; M207-Q211 WeakPolarHBondContact O-CB 3.46Å; M207-Q211 PolarHBondContact O-N 3.46Å; M207-A303 HydrophobicContact CB-CB 4.14Å; M207-R306 PolarHBondContact SD-NE 2.94Å; M207-R306 VanDerWaalsContact SD-NE 3.43Å; M207-R306 PolarHBondContact SD-NH1 2.99Å; M207-M307 HydrophobicContact CE-CE 3.37Å; M207-M307 HydrophobicContact CE-SD 4.05Å; M207-M307 HydrophobicContact CG-CE 3.91Å; M207-M307 HydrophobicContact CG-SD 3.88Å; M207-M307 HydrophobicContact SD-CE 3.36Å; M207-M307 WeakPolarHBondContact SD-CE 3.35Å; M207-M307 HydrophobicContact SD-SD 4.14Å |
| 208 | V | 97.4 | Very high | 96.2 | Very high | 3 Ų | 3 | 40.9 Ų | 40.9 | 2% | 0.018 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -73.1 | -39.2 | 179.5 | 174.4 | 0 | 0 | 0 | 0 | 111.5 | T139 F142 F146 L147 A204 L205 Q206 Q211 R212 | T139-V208 HydrophobicContact CG2-CG2 3.91Å; F142-V208 HydrophobicContact CB-CB 4.22Å; F142-V208 HydrophobicContact CB-CG1 4.19Å; F142-V208 HydrophobicContact CB-CG2 3.73Å; F146-V208 HydrophobicContact CB-CG1 4.14Å; F146-V208 HydrophobicContact CD2-CG1 4.45Å; L147-V208 HydrophobicContact CD1-CG1 3.24Å; L147-V208 HydrophobicContact CG-CG1 4.43Å; A204-V208 WeakPolarHBondContact O-CB 3.31Å; A204-V208 WeakPolarHBondContact O-CG2 3.45Å; A204-V208 PolarHBondContact O-N 2.95Å; A204-V208 VanDerWaalsContact O-N 3.12Å; L205-V208 PolarHBondContact O-N 2.83Å; Q206-V208 PolarHBondContact O-N 2.99Å; V208-Q211 PolarHBondContact O-N 2.92Å; V208-R212 PolarHBondContact O-N 3.16Å; V208-R212 VanDerWaalsContact O-N 3.07Å |
| 209 | Y | 97.4 | Very high | 96 | Very high | 69 Ų | 69 | 36.9 Ų | 36.9 | 27% | 0.271 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -59.6 | -48.6 | 173.6 | 177.6 | -82.9 | 0 | 0 | 0 | 111.4 | I101 P104 A105 L205 Q206 R212 F213 | I101-Y209 WeakPolarHBondContact O-CE1 3.34Å; I101-Y209 PolarHBondContact O-OH 3.05Å; P104-Y209 HydrophobicContact CB-CE1 4.45Å; A105-Y209 HydrophobicContact CB-CD1 4.15Å; A105-Y209 HydrophobicContact CB-CE1 4.35Å; L205-Y209 WeakPolarHBondContact O-CB 3.46Å; L205-Y209 PolarHBondContact O-N 3.42Å; Q206-Y209 PolarHBondContact O-N 3.22Å; Y209-R212 WeakPolarHBondContact O-CB 3.34Å; Y209-R212 PolarHBondContact O-N 3.33Å; Y209-F213 AromaticContact CD1-CD2 3.95Å; Y209-F213 HydrophobicContact CD1-CD2 3.95Å; Y209-F213 HydrophobicContact CD1-CE2 4.34Å; Y209-F213 HydrophobicContact CD2-CD2 4.2Å; Y209-F213 AromaticContact CD2-CE2 3.79Å; Y209-F213 HydrophobicContact CD2-CE2 3.79Å; Y209-F213 AromaticContact CE1-CD2 3.6Å; Y209-F213 HydrophobicContact CE1-CD2 3.6Å; Y209-F213 AromaticContact CE1-CE2 3.91Å; Y209-F213 HydrophobicContact CE1-CE2 3.91Å; Y209-F213 AromaticContact CE2-CD2 3.91Å; Y209-F213 HydrophobicContact CE2-CD2 3.91Å; Y209-F213 AromaticContact CE2-CE2 3.33Å; Y209-F213 HydrophobicContact CE2-CE2 3.33Å; Y209-F213 HydrophobicContact CE2-CZ 4.35Å; Y209-F213 HydrophobicContact CG-CD2 4.2Å; Y209-F213 HydrophobicContact CG-CE2 4.26Å; Y209-F213 AromaticContact CZ-CD2 3.57Å; Y209-F213 AromaticContact CZ-CE2 3.36Å; Y209-F213 VanDerWaalsContact O-CD2 3.32Å; Y209-F213 WeakPolarHBondContact O-CD2 3.45Å; Y209-F213 PolarHBondContact O-N 2.63Å |
| 210 | E | 96 | Very high | 95.9 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.3 | -51.8 | 175.8 | -81.2 | 173.9 | -165.1 | 0 | 0 | 111.3 | A105 Q206 R212 F213 V214 I295 R306 | A105-E210 HydrophobicContact CB-CG 3.87Å; Q206-E210 WeakPolarHBondContact CG-OE1 3.49Å; Q206-E210 PolarHBondContact NE2-OE1 3.26Å; Q206-E210 PolarHBondContact NE2-OE2 2.94Å; Q206-E210 WeakPolarHBondContact O-CB 3.37Å; Q206-E210 WeakPolarHBondContact O-CG 3.1Å; Q206-E210 PolarHBondContact O-N 3.42Å; E210-R212 PolarHBondContact O-N 3.23Å; E210-F213 PolarHBondContact O-N 2.82Å; E210-F213 VanDerWaalsContact O-N 3.07Å; E210-V214 WeakPolarHBondContact O-CB 3.37Å; E210-V214 VanDerWaalsContact O-CG2 3.25Å; E210-V214 WeakPolarHBondContact O-CG2 3.35Å; E210-V214 PolarHBondContact O-N 3.11Å; E210-I295 WeakPolarHBondContact OE2-CD1 3.5Å; E210-R306 IonicContact OE2-CZ 2.74Å; E210-R306 IonicContact OE2-NH1 3.95Å; E210-R306 PolarHBondContact OE2-NH1 3.15Å |
| 211 | Q | 97.3 | Very high | 95.9 | Very high | 10 Ų | 10 | 38.6 Ų | 38.6 | 5% | 0.047 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -53.7 | -43.2 | 179.6 | -174.1 | -177.6 | -10.9 | 0 | 0 | 111.4 | L147 M207 V208 F213 N215 T298 A303 | L147-Q211 HydrophobicContact CD2-CB 3.89Å; L147-Q211 HydrophobicContact CD2-CG 3.6Å; M207-Q211 WeakPolarHBondContact O-CB 3.46Å; M207-Q211 PolarHBondContact O-N 3.46Å; V208-Q211 PolarHBondContact O-N 2.92Å; Q211-F213 PolarHBondContact O-N 2.57Å; Q211-N215 VanDerWaalsContact O-CB 3.24Å; Q211-N215 WeakPolarHBondContact O-CB 3.37Å; Q211-N215 VanDerWaalsContact O-CG 3.24Å; Q211-N215 PolarHBondContact O-N 3.24Å; Q211-N215 VanDerWaalsContact O-N 3.08Å; Q211-N215 PolarHBondContact O-ND2 3.11Å; Q211-T298 HydrophobicContact CB-CG2 3.51Å; Q211-T298 HydrophobicContact CG-CG2 3.77Å; Q211-A303 HydrophobicContact CB-CB 4.23Å |
| 212 | R | 96.5 | Very high | 95.8 | Very high | 130 Ų | 130 | 37 Ų | 37 | 49% | 0.491 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -58.6 | -48.1 | 178.4 | -178.2 | 177.5 | 179.4 | 143.5 | -2.4 | 111.8 | F146 L147 V208 Y209 E210 K216 | F146-R212 PolarHBondContact O-NH1 3.19Å; L147-R212 HydrophobicContact CD1-CB 4.04Å; L147-R212 HydrophobicContact CG-CB 4.47Å; V208-R212 PolarHBondContact O-N 3.16Å; V208-R212 VanDerWaalsContact O-N 3.07Å; Y209-R212 WeakPolarHBondContact O-CB 3.34Å; Y209-R212 PolarHBondContact O-N 3.33Å; E210-R212 PolarHBondContact O-N 3.23Å; R212-K216 WeakPolarHBondContact O-CB 3.33Å; R212-K216 PolarHBondContact O-N 2.59Å |
| 213 | F | 95.4 | Very high | 95.8 | Very high | 32 Ų | 32 | 36.7 Ų | 36.7 | 14% | 0.14 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -83.4 | -35.1 | -173.9 | -72.3 | -62 | 0 | 0 | 0 | 114 | I101 Y209 E210 Q211 N215 K216 Y217 | I101-F213 HydrophobicContact CD1-CB 4.25Å; I101-F213 HydrophobicContact CD1-CD1 3.21Å; I101-F213 HydrophobicContact CD1-CD2 4.22Å; I101-F213 HydrophobicContact CD1-CE1 3.41Å; I101-F213 VanDerWaalsContact CD1-CE1 3.41Å; I101-F213 HydrophobicContact CD1-CE2 4.41Å; I101-F213 HydrophobicContact CD1-CG 3.63Å; I101-F213 HydrophobicContact CD1-CZ 4.02Å; I101-F213 HydrophobicContact CG1-CD1 4.03Å; I101-F213 HydrophobicContact CG1-CD2 4.15Å; I101-F213 HydrophobicContact CG1-CE1 4.17Å; I101-F213 HydrophobicContact CG1-CE2 4.32Å; I101-F213 HydrophobicContact CG1-CG 3.98Å; I101-F213 HydrophobicContact CG1-CZ 4.3Å; Y209-F213 AromaticContact CD1-CD2 3.95Å; Y209-F213 HydrophobicContact CD1-CD2 3.95Å; Y209-F213 HydrophobicContact CD1-CE2 4.34Å; Y209-F213 HydrophobicContact CD2-CD2 4.2Å; Y209-F213 AromaticContact CD2-CE2 3.79Å; Y209-F213 HydrophobicContact CD2-CE2 3.79Å; Y209-F213 AromaticContact CE1-CD2 3.6Å; Y209-F213 HydrophobicContact CE1-CD2 3.6Å; Y209-F213 AromaticContact CE1-CE2 3.91Å; Y209-F213 HydrophobicContact CE1-CE2 3.91Å; Y209-F213 AromaticContact CE2-CD2 3.91Å; Y209-F213 HydrophobicContact CE2-CD2 3.91Å; Y209-F213 AromaticContact CE2-CE2 3.33Å; Y209-F213 HydrophobicContact CE2-CE2 3.33Å; Y209-F213 HydrophobicContact CE2-CZ 4.35Å; Y209-F213 HydrophobicContact CG-CD2 4.2Å; Y209-F213 HydrophobicContact CG-CE2 4.26Å; Y209-F213 AromaticContact CZ-CD2 3.57Å; Y209-F213 AromaticContact CZ-CE2 3.36Å; Y209-F213 VanDerWaalsContact O-CD2 3.32Å; Y209-F213 WeakPolarHBondContact O-CD2 3.45Å; Y209-F213 PolarHBondContact O-N 2.63Å; E210-F213 PolarHBondContact O-N 2.82Å; E210-F213 VanDerWaalsContact O-N 3.07Å; Q211-F213 PolarHBondContact O-N 2.57Å; F213-N215 VanDerWaalsContact C-N 3.29Å; F213-N215 PolarHBondContact O-N 3.19Å; F213-K216 HydrophobicContact CD1-CD 4.38Å; F213-K216 HydrophobicContact CE1-CD 4.48Å; F213-K216 PolarHBondContact O-N 3.05Å; F213-Y217 HydrophobicContact CB-CD2 4.5Å; F213-Y217 HydrophobicContact CD1-CD2 4.08Å; F213-Y217 AromaticContact CD1-CE2 3.67Å; F213-Y217 HydrophobicContact CD1-CE2 3.67Å; F213-Y217 HydrophobicContact CE1-CE2 4.23Å; F213-Y217 WeakPolarHBondContact O-CD2 3.48Å; F213-Y217 PolarHBondContact O-N 2.78Å |
| 214 | V | 95.6 | Very high | 95.8 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.006 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60 | -43 | 172.1 | 174.1 | 0 | 0 | 0 | 0 | 110.4 | F102 E210 N218 V219 V224 I295 K299 | F102-V214 HydrophobicContact CE1-CG2 4.01Å; F102-V214 HydrophobicContact CZ-CG2 4.29Å; E210-V214 WeakPolarHBondContact O-CB 3.37Å; E210-V214 VanDerWaalsContact O-CG2 3.25Å; E210-V214 WeakPolarHBondContact O-CG2 3.35Å; E210-V214 PolarHBondContact O-N 3.11Å; V214-N218 CarbonylContact O-C 3.53Å; V214-N218 WeakPolarHBondContact O-CA 3.25Å; V214-N218 PolarHBondContact O-N 3.34Å; V214-V219 PolarHBondContact O-N 2.91Å; V214-V224 HydrophobicContact CG2-CG1 4.14Å; V214-V224 HydrophobicContact CG2-CG2 3.72Å; V214-I295 HydrophobicContact CG1-CG2 4.37Å; V214-I295 HydrophobicContact CG2-CG2 4.32Å; V214-K299 HydrophobicContact CG1-CB 4Å; V214-K299 HydrophobicContact CG1-CD 3.85Å; V214-K299 HydrophobicContact CG1-CG 3.96Å |
| 215 | N | 93.6 | Very high | 95.7 | Very high | 72 Ų | 72 | 35.9 Ų | 35.9 | 39% | 0.385 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -75.1 | -44.2 | 178.2 | -68.8 | -10.3 | 0 | 0 | 0 | 112.1 | Q211 F213 Y217 N218 | Q211-N215 VanDerWaalsContact O-CB 3.24Å; Q211-N215 WeakPolarHBondContact O-CB 3.37Å; Q211-N215 VanDerWaalsContact O-CG 3.24Å; Q211-N215 PolarHBondContact O-N 3.24Å; Q211-N215 VanDerWaalsContact O-N 3.08Å; Q211-N215 PolarHBondContact O-ND2 3.11Å; F213-N215 VanDerWaalsContact C-N 3.29Å; F213-N215 PolarHBondContact O-N 3.19Å; N215-Y217 VanDerWaalsContact C-N 3.32Å; N215-Y217 PolarHBondContact O-N 3.26Å; N215-N218 PolarHBondContact O-N 3.46Å |
| 216 | K | 93.4 | Very high | 95.8 | Very high | 125 Ų | 125 | 32.6 Ų | 32.6 | 54% | 0.543 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -58.1 | -42.9 | 179.4 | -178.8 | -179.6 | -179.4 | -170.4 | 0 | 112.6 | R212 F213 | R212-K216 WeakPolarHBondContact O-CB 3.33Å; R212-K216 PolarHBondContact O-N 2.59Å; F213-K216 HydrophobicContact CD1-CD 4.38Å; F213-K216 HydrophobicContact CE1-CD 4.48Å; F213-K216 PolarHBondContact O-N 3.05Å |
| 217 | Y | 93.2 | Very high | 95.8 | Very high | 46 Ų | 46 | 32.8 Ų | 32.8 | 18% | 0.18 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | 4.4 | -178.1 | -63.3 | -77 | 0 | 0 | 0 | 113.7 | P95 F97 I101 F213 N215 V219 | P95-Y217 HydrophobicContact CB-CD1 3.88Å; P95-Y217 HydrophobicContact CB-CE1 4.39Å; P95-Y217 HydrophobicContact CG-CD1 3.71Å; P95-Y217 HydrophobicContact CG-CG 4.43Å; F97-Y217 HydrophobicContact CB-CD1 3.63Å; F97-Y217 HydrophobicContact CB-CD2 3.96Å; F97-Y217 HydrophobicContact CB-CE1 3.9Å; F97-Y217 HydrophobicContact CB-CE2 4.19Å; F97-Y217 HydrophobicContact CB-CG 3.69Å; F97-Y217 HydrophobicContact CG-CG 4.36Å; I101-Y217 HydrophobicContact CD1-CD2 4.29Å; I101-Y217 HydrophobicContact CD1-CE2 3.62Å; F213-Y217 HydrophobicContact CB-CD2 4.5Å; F213-Y217 HydrophobicContact CD1-CD2 4.08Å; F213-Y217 AromaticContact CD1-CE2 3.67Å; F213-Y217 HydrophobicContact CD1-CE2 3.67Å; F213-Y217 HydrophobicContact CE1-CE2 4.23Å; F213-Y217 WeakPolarHBondContact O-CD2 3.48Å; F213-Y217 PolarHBondContact O-N 2.78Å; N215-Y217 VanDerWaalsContact C-N 3.32Å; N215-Y217 PolarHBondContact O-N 3.26Å; Y217-V219 PolarHBondContact O-N 3.44Å; Y217-V219 VanDerWaalsContact O-N 3.15Å |
| 218 | N | 93 | Very high | 95.8 | Very high | 84 Ų | 84 | 32.7 Ų | 32.7 | 45% | 0.449 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 46 | 41.7 | -174.3 | -168.8 | 14.2 | 0 | 0 | 0 | 112.7 | R94 V214 N215 K299 | R94-N218 WeakPolarHBondContact CD-O 3.49Å; V214-N218 CarbonylContact O-C 3.53Å; V214-N218 WeakPolarHBondContact O-CA 3.25Å; V214-N218 PolarHBondContact O-N 3.34Å; N215-N218 PolarHBondContact O-N 3.46Å; N218-K299 PolarHBondContact O-NZ 2.94Å; N218-K299 WeakPolarHBondContact OD1-CE 3.33Å; N218-K299 PolarHBondContact OD1-NZ 3.47Å |
| 219 | V | 94.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | trans | -68 | 135.8 | -171.9 | -167.4 | 0 | 0 | 0 | 0 | 109.7 | F97 F102 V214 Y217 L223 V224 K299 | F97-V219 HydrophobicContact CD1-CG2 4.04Å; F97-V219 HydrophobicContact CE1-CB 4.44Å; F97-V219 HydrophobicContact CE1-CG1 3.83Å; F97-V219 HydrophobicContact CE1-CG2 3.81Å; F97-V219 HydrophobicContact CZ-CG1 3.67Å; F97-V219 HydrophobicContact CZ-CG2 4.14Å; F102-V219 HydrophobicContact CE2-CG1 4.28Å; F102-V219 HydrophobicContact CE2-CG2 4.39Å; F102-V219 HydrophobicContact CZ-CB 4.35Å; F102-V219 HydrophobicContact CZ-CG1 4.28Å; F102-V219 HydrophobicContact CZ-CG2 4.07Å; V214-V219 PolarHBondContact O-N 2.91Å; Y217-V219 PolarHBondContact O-N 3.44Å; Y217-V219 VanDerWaalsContact O-N 3.15Å; V219-L223 HydrophobicContact CG1-CB 4.38Å; V219-L223 HydrophobicContact CG1-CD2 4.07Å; V219-L223 HydrophobicContact CG1-CG 4.32Å; V219-V224 HydrophobicContact CB-CG2 3.81Å; V219-V224 HydrophobicContact CG1-CG2 3.54Å; V219-K299 PolarHBondContact O-NZ 3.33Å | ||
| 220 | P | 94.2 | Very high | 95.8 | Very high | 19 Ų | 19 | 31.9 Ų | 31.9 | 12% | 0.123 | 15% | 0.151 | C | C | . | . | trans | -61.4 | 131.5 | 173.5 | -24.3 | 35.2 | 0 | 0 | 0 | 111.2 | F64 L222 L223 V224 | F64-P220 HydrophobicContact CD2-CB 4.32Å; F64-P220 HydrophobicContact CE2-CB 3.79Å; F64-P220 HydrophobicContact CE2-CG 3.77Å; F64-P220 HydrophobicContact CZ-CG 4.21Å; P220-L222 PolarHBondContact O-N 3.47Å; P220-L222 VanDerWaalsContact O-N 3.16Å; P220-L223 HydrophobicContact CB-CB 4.27Å; P220-L223 WeakPolarHBondContact O-CB 3.28Å; P220-L223 PolarHBondContact O-N 2.87Å; P220-V224 PolarHBondContact O-N 3.47Å | ||
| 221 | P | 96.3 | Very high | 95.9 | Very high | 20 Ų | 20 | 33.2 Ų | 33.2 | 13% | 0.13 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -52.3 | -40.9 | -179.4 | -30.8 | 36.8 | 0 | 0 | 0 | 113.9 | L223 V224 V225 F292 I295 S296 K299 | P221-L223 VanDerWaalsContact C-N 3.28Å; P221-L223 PolarHBondContact O-N 3.3Å; P221-V224 WeakPolarHBondContact O-CB 3.37Å; P221-V224 PolarHBondContact O-N 2.85Å; P221-V225 WeakPolarHBondContact O-CG2 3.42Å; P221-V225 PolarHBondContact O-N 2.87Å; P221-F292 HydrophobicContact CB-CD2 4.06Å; P221-F292 HydrophobicContact CB-CE2 4.08Å; P221-I295 HydrophobicContact CB-CB 4.05Å; P221-I295 HydrophobicContact CB-CG2 3.74Å; P221-I295 HydrophobicContact CG-CG2 4.26Å; P221-S296 VanDerWaalsContact CB-OG 3.31Å; P221-S296 WeakPolarHBondContact CB-OG 3.43Å; P221-S296 WeakPolarHBondContact CG-OG 3.42Å; P221-K299 HydrophobicContact CG-CD 4.11Å |
| 222 | L | 96 | Very high | 95.9 | Very high | 24 Ų | 24 | 32.7 Ų | 32.7 | 13% | 0.126 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.8 | -30.9 | -179.9 | -160.2 | 70.4 | 0 | 0 | 0 | 113.2 | C60 T63 F64 I67 P220 G226 F292 | C60-L222 HydrophobicContact CB-CD1 3.53Å; C60-L222 HydrophobicContact CB-CG 3.95Å; C60-L222 WeakPolarHBondContact CB-O 3.3Å; C60-L222 WeakPolarHBondContact O-CG 3.14Å; T63-L222 HydrophobicContact CG2-CD2 3.87Å; F64-L222 HydrophobicContact CB-CB 4.3Å; F64-L222 HydrophobicContact CB-CD2 3.77Å; F64-L222 HydrophobicContact CB-CG 4Å; F64-L222 HydrophobicContact CD2-CB 4.45Å; I67-L222 HydrophobicContact CD1-CD2 4.04Å; P220-L222 PolarHBondContact O-N 3.47Å; P220-L222 VanDerWaalsContact O-N 3.16Å; L222-G226 PolarHBondContact O-N 2.81Å; L222-G226 VanDerWaalsContact O-N 3.1Å; L222-F292 HydrophobicContact CB-CD2 4.17Å; L222-F292 HydrophobicContact CB-CE2 4.37Å; L222-F292 HydrophobicContact CD1-CD2 3.83Å; L222-F292 HydrophobicContact CD1-CE2 4.48Å; L222-F292 HydrophobicContact CD1-CG 4.36Å |
| 223 | L | 96.5 | Very high | 95.9 | Very high | 28 Ų | 28 | 27.3 Ų | 27.3 | 15% | 0.147 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -74.9 | -40.5 | 174.7 | 177.5 | 60.5 | 0 | 0 | 0 | 111.1 | L61 F64 F97 V219 P220 P221 G226 L227 | L61-L223 HydrophobicContact CD1-CD1 3.62Å; F64-L223 HydrophobicContact CD1-CB 4.13Å; F64-L223 HydrophobicContact CD1-CD1 3.91Å; F64-L223 HydrophobicContact CD1-CG 4.47Å; F64-L223 HydrophobicContact CD2-CB 4.22Å; F64-L223 HydrophobicContact CE1-CB 4.11Å; F64-L223 HydrophobicContact CE1-CD1 3.9Å; F64-L223 HydrophobicContact CE1-CD2 4.01Å; F64-L223 HydrophobicContact CE1-CG 4.23Å; F64-L223 HydrophobicContact CE2-CB 4.2Å; F64-L223 HydrophobicContact CG-CB 4.18Å; F64-L223 HydrophobicContact CZ-CB 4.14Å; F64-L223 HydrophobicContact CZ-CD2 4.07Å; F97-L223 HydrophobicContact CE1-CD2 4.3Å; F97-L223 HydrophobicContact CZ-CD2 3.87Å; V219-L223 HydrophobicContact CG1-CB 4.38Å; V219-L223 HydrophobicContact CG1-CD2 4.07Å; V219-L223 HydrophobicContact CG1-CG 4.32Å; P220-L223 HydrophobicContact CB-CB 4.27Å; P220-L223 WeakPolarHBondContact O-CB 3.28Å; P220-L223 PolarHBondContact O-N 2.87Å; P221-L223 VanDerWaalsContact C-N 3.28Å; P221-L223 PolarHBondContact O-N 3.3Å; L223-G226 PolarHBondContact O-N 3.28Å; L223-L227 HydrophobicContact CD1-CD1 3.99Å; L223-L227 HydrophobicContact CD1-CD2 4.43Å; L223-L227 HydrophobicContact CD1-CG 3.97Å; L223-L227 HydrophobicContact CG-CD1 4.03Å; L223-L227 HydrophobicContact CG-CG 4.4Å; L223-L227 WeakPolarHBondContact O-CB 3.5Å; L223-L227 WeakPolarHBondContact O-CG 3.35Å; L223-L227 PolarHBondContact O-N 2.95Å |
| 224 | V | 96.8 | Very high | 96 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -57.8 | -57.2 | 177.3 | 178.3 | 0 | 0 | 0 | 0 | 110.1 | F102 V214 V219 P220 P221 G226 L227 E228 I295 | F102-V224 HydrophobicContact CD1-CG1 3.82Å; F102-V224 HydrophobicContact CE1-CB 4.34Å; F102-V224 HydrophobicContact CE1-CG1 3.58Å; F102-V224 HydrophobicContact CE1-CG2 4.05Å; F102-V224 HydrophobicContact CE2-CG2 4.4Å; F102-V224 HydrophobicContact CZ-CB 4.42Å; F102-V224 HydrophobicContact CZ-CG1 4.13Å; F102-V224 HydrophobicContact CZ-CG2 3.77Å; V214-V224 HydrophobicContact CG2-CG1 4.14Å; V214-V224 HydrophobicContact CG2-CG2 3.72Å; V219-V224 HydrophobicContact CB-CG2 3.81Å; V219-V224 HydrophobicContact CG1-CG2 3.54Å; P220-V224 PolarHBondContact O-N 3.47Å; P221-V224 WeakPolarHBondContact O-CB 3.37Å; P221-V224 PolarHBondContact O-N 2.85Å; V224-G226 VanDerWaalsContact C-N 3.29Å; V224-G226 PolarHBondContact O-N 2.75Å; V224-L227 PolarHBondContact O-N 3.46Å; V224-L227 VanDerWaalsContact O-N 3.1Å; V224-E228 VanDerWaalsContact CG1-OE1 3.3Å; V224-E228 WeakPolarHBondContact CG1-OE1 3.47Å; V224-E228 PolarHBondContact O-N 2.73Å; V224-I295 HydrophobicContact CB-CG2 4.13Å; V224-I295 HydrophobicContact CG1-CD1 4.01Å; V224-I295 HydrophobicContact CG1-CG1 4.21Å; V224-I295 HydrophobicContact CG1-CG2 4.21Å; V224-I295 HydrophobicContact CG2-CG2 4.27Å |
| 225 | V | 97.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.4 | -41.9 | 179 | 178.4 | 0 | 0 | 0 | 0 | 111.1 | E57 C60 P221 L227 E228 G229 N291 I295 | E57-V225 HydrophobicContact CB-CG1 3.81Å; E57-V225 HydrophobicContact CG-CG1 3.91Å; C60-V225 HydrophobicContact CB-CB 4.32Å; C60-V225 HydrophobicContact CB-CG1 4.17Å; P221-V225 WeakPolarHBondContact O-CG2 3.42Å; P221-V225 PolarHBondContact O-N 2.87Å; V225-L227 VanDerWaalsContact C-N 3.31Å; V225-L227 PolarHBondContact O-N 3.42Å; V225-E228 PolarHBondContact O-N 3.36Å; V225-G229 PolarHBondContact O-N 3.04Å; V225-N291 HydrophobicContact CB-CB 4.47Å; V225-N291 HydrophobicContact CG1-CB 3.63Å; V225-N291 HydrophobicContact CG2-CB 3.94Å; V225-N291 WeakPolarHBondContact CG2-O 3.41Å; V225-I295 HydrophobicContact CG2-CB 4.24Å; V225-I295 HydrophobicContact CG2-CG1 3.6Å |
| 226 | G | 97.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.7 | -35.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114 | L222 L223 V224 L230 | L222-G226 PolarHBondContact O-N 2.81Å; L222-G226 VanDerWaalsContact O-N 3.1Å; L223-G226 PolarHBondContact O-N 3.28Å; V224-G226 VanDerWaalsContact C-N 3.29Å; V224-G226 PolarHBondContact O-N 2.75Å; G226-L230 WeakPolarHBondContact O-CB 3.33Å; G226-L230 PolarHBondContact O-N 3.37Å; G226-L230 VanDerWaalsContact O-N 3.08Å |
| 227 | L | 97.6 | Very high | 96.4 | Very high | 11 Ų | 11 | 26.6 Ų | 26.6 | 6% | 0.058 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -76 | -42.1 | 176.6 | -70.7 | 174.4 | 0 | 0 | 0 | 111.9 | L61 F97 V99 F102 L223 V224 V225 G229 L230 F231 | L61-L227 HydrophobicContact CD1-CD2 4.45Å; F97-L227 HydrophobicContact CE2-CD1 4.19Å; F97-L227 HydrophobicContact CZ-CD1 4.41Å; V99-L227 HydrophobicContact CG1-CD1 3.85Å; V99-L227 HydrophobicContact CG1-CD2 3.4Å; V99-L227 VanDerWaalsContact CG1-CD2 3.4Å; V99-L227 HydrophobicContact CG1-CG 4.13Å; F102-L227 HydrophobicContact CD2-CD1 3.97Å; F102-L227 HydrophobicContact CE2-CD1 4.44Å; L223-L227 HydrophobicContact CD1-CD1 3.99Å; L223-L227 HydrophobicContact CD1-CD2 4.43Å; L223-L227 HydrophobicContact CD1-CG 3.97Å; L223-L227 HydrophobicContact CG-CD1 4.03Å; L223-L227 HydrophobicContact CG-CG 4.4Å; L223-L227 WeakPolarHBondContact O-CB 3.5Å; L223-L227 WeakPolarHBondContact O-CG 3.35Å; L223-L227 PolarHBondContact O-N 2.95Å; V224-L227 PolarHBondContact O-N 3.46Å; V224-L227 VanDerWaalsContact O-N 3.1Å; V225-L227 VanDerWaalsContact C-N 3.31Å; V225-L227 PolarHBondContact O-N 3.42Å; L227-G229 VanDerWaalsContact C-N 3.34Å; L227-L230 WeakPolarHBondContact O-CB 3.47Å; L227-L230 PolarHBondContact O-N 2.84Å; L227-F231 WeakPolarHBondContact O-CD2 3.42Å; L227-F231 PolarHBondContact O-N 3.49Å |
| 228 | E | 96.6 | Very high | 96.6 | Very high | 12 Ų | 12 | 28.9 Ų | 28.9 | 6% | 0.056 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.8 | -46.6 | 173.3 | -73.9 | 165.3 | -171.6 | 0 | 0 | 110.8 | F102 T106 V224 V225 L230 F231 G232 | F102-E228 HydrophobicContact CB-CG 4.25Å; T106-E228 WeakPolarHBondContact OG1-CA 3.19Å; V224-E228 VanDerWaalsContact CG1-OE1 3.3Å; V224-E228 WeakPolarHBondContact CG1-OE1 3.47Å; V224-E228 PolarHBondContact O-N 2.73Å; V225-E228 PolarHBondContact O-N 3.36Å; E228-L230 VanDerWaalsContact C-N 3.32Å; E228-L230 PolarHBondContact O-N 3.48Å; E228-F231 PolarHBondContact O-N 3.49Å; E228-G232 PolarHBondContact O-N 2.86Å |
| 229 | G | 97.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60 | -38.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | E57 V225 L227 C233 | E57-G229 VanDerWaalsContact CB-CA 3.49Å; V225-G229 PolarHBondContact O-N 3.04Å; L227-G229 VanDerWaalsContact C-N 3.34Å; G229-C233 WeakPolarHBondContact O-CB 3.09Å; G229-C233 PolarHBondContact O-N 2.98Å; G229-C233 PolarHBondContact O-SG 2.96Å |
| 230 | L | 97.8 | Very high | 96.7 | Very high | 54 Ų | 54 | 27.5 Ų | 27.5 | 28% | 0.283 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -63.5 | -51.8 | 174.6 | 174.4 | 62.9 | 0 | 0 | 0 | 111.3 | F58 L61 G226 L227 E228 G232 C233 I234 | F58-L230 HydrophobicContact CD2-CB 3.76Å; F58-L230 HydrophobicContact CD2-CD1 4.16Å; F58-L230 HydrophobicContact CE2-CB 3.98Å; F58-L230 HydrophobicContact CE2-CD1 3.66Å; F58-L230 HydrophobicContact CE2-CG 4.32Å; F58-L230 HydrophobicContact CZ-CD1 4.26Å; L61-L230 HydrophobicContact CD2-CD2 4.43Å; G226-L230 WeakPolarHBondContact O-CB 3.33Å; G226-L230 PolarHBondContact O-N 3.37Å; G226-L230 VanDerWaalsContact O-N 3.08Å; L227-L230 WeakPolarHBondContact O-CB 3.47Å; L227-L230 PolarHBondContact O-N 2.84Å; E228-L230 VanDerWaalsContact C-N 3.32Å; E228-L230 PolarHBondContact O-N 3.48Å; L230-G232 VanDerWaalsContact C-N 3.34Å; L230-G232 PolarHBondContact O-N 3.09Å; L230-C233 PolarHBondContact O-N 3.13Å; L230-I234 HydrophobicContact CD1-CD1 4Å; L230-I234 HydrophobicContact CD1-CG1 4.49Å; L230-I234 HydrophobicContact CG-CD1 4.24Å; L230-I234 WeakPolarHBondContact O-CG1 3.46Å; L230-I234 PolarHBondContact O-N 3.42Å; L230-I234 VanDerWaalsContact O-N 3.13Å |
| 231 | F | 97.9 | Very high | 96.8 | Very high | 29 Ų | 29 | 30.6 Ų | 30.6 | 13% | 0.127 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62 | -43.8 | 178.8 | -69.2 | -53.1 | 0 | 0 | 0 | 111.3 | V99 L100 L103 T106 L227 E228 I234 L235 | V99-F231 HydrophobicContact CG1-CE2 4.16Å; V99-F231 HydrophobicContact CG1-CZ 3.87Å; V99-F231 WeakPolarHBondContact O-CE2 3.5Å; L100-F231 HydrophobicContact CD2-CE1 4.35Å; L100-F231 HydrophobicContact CD2-CZ 4.32Å; L103-F231 HydrophobicContact CB-CD2 4.24Å; L103-F231 HydrophobicContact CB-CE2 4.19Å; L103-F231 HydrophobicContact CB-CG 4.45Å; L103-F231 HydrophobicContact CB-CZ 4.33Å; L103-F231 HydrophobicContact CD1-CB 4.01Å; L103-F231 HydrophobicContact CD1-CD1 3.94Å; L103-F231 HydrophobicContact CD1-CD2 4.5Å; L103-F231 HydrophobicContact CD1-CG 3.92Å; T106-F231 HydrophobicContact CG2-CB 3.98Å; L227-F231 WeakPolarHBondContact O-CD2 3.42Å; L227-F231 PolarHBondContact O-N 3.49Å; E228-F231 PolarHBondContact O-N 3.49Å; F231-I234 PolarHBondContact O-N 3.41Å; F231-L235 WeakPolarHBondContact O-CB 3.35Å; F231-L235 VanDerWaalsContact O-CG 3.29Å; F231-L235 WeakPolarHBondContact O-CG 3.42Å; F231-L235 PolarHBondContact O-N 3.26Å |
| 232 | G | 97.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.5 | -41.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | E228 L230 I234 L235 M236 | E228-G232 PolarHBondContact O-N 2.86Å; L230-G232 VanDerWaalsContact C-N 3.34Å; L230-G232 PolarHBondContact O-N 3.09Å; G232-I234 PolarHBondContact O-N 3.45Å; G232-L235 PolarHBondContact O-N 2.84Å; G232-M236 WeakPolarHBondContact O-CB 3.32Å; G232-M236 WeakPolarHBondContact O-CG 3.26Å; G232-M236 PolarHBondContact O-N 3.44Å |
| 233 | C | 97.3 | Very high | 96.6 | Very high | 17 Ų | 17 | 34.1 Ų | 34.1 | 12% | 0.115 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.1 | -47 | 173.9 | -80.3 | 0 | 0 | 0 | 0 | 111.8 | F54 I55 G229 L230 T237 | F54-C233 PolarHBondContact O-SG 3.18Å; F54-C233 VanDerWaalsContact O-SG 3.32Å; I55-C233 PolarHBondContact N-SG 2.88Å; G229-C233 WeakPolarHBondContact O-CB 3.09Å; G229-C233 PolarHBondContact O-N 2.98Å; G229-C233 PolarHBondContact O-SG 2.96Å; L230-C233 PolarHBondContact O-N 3.13Å; C233-T237 WeakPolarHBondContact O-CB 3.43Å; C233-T237 PolarHBondContact O-N 3.49Å; C233-T237 PolarHBondContact O-OG1 3.01Å |
| 234 | I | 97.7 | Very high | 96.5 | Very high | 89 Ų | 89 | 35.8 Ų | 35.8 | 46% | 0.456 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -62.8 | -52.3 | 179.9 | -67.3 | 167.6 | 0 | 0 | 0 | 109.8 | L230 F231 G232 T237 I238 | L230-I234 HydrophobicContact CD1-CD1 4Å; L230-I234 HydrophobicContact CD1-CG1 4.49Å; L230-I234 HydrophobicContact CG-CD1 4.24Å; L230-I234 WeakPolarHBondContact O-CG1 3.46Å; L230-I234 PolarHBondContact O-N 3.42Å; L230-I234 VanDerWaalsContact O-N 3.13Å; F231-I234 PolarHBondContact O-N 3.41Å; G232-I234 PolarHBondContact O-N 3.45Å; I234-T237 PolarHBondContact O-N 3.36Å; I234-I238 HydrophobicContact CG2-CD1 4.1Å; I234-I238 WeakPolarHBondContact O-CG1 3.44Å; I234-I238 PolarHBondContact O-N 3.19Å; I234-I238 VanDerWaalsContact O-N 3.09Å |
| 235 | L | 97.1 | Very high | 96.4 | Very high | 48 Ų | 48 | 43 Ų | 43 | 25% | 0.251 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -65.2 | -44.2 | -177.3 | -68.5 | 169.9 | 0 | 0 | 0 | 112.1 | L103 L107 M110 F231 G232 T237 I238 I239 | L103-L235 HydrophobicContact CD1-CD1 4.04Å; L107-L235 HydrophobicContact CD2-CD1 3.74Å; L107-L235 HydrophobicContact CG-CD1 4.45Å; M110-L235 HydrophobicContact CE-CB 3.55Å; M110-L235 HydrophobicContact CE-CD1 4.48Å; M110-L235 HydrophobicContact SD-CB 3.68Å; M110-L235 HydrophobicContact SD-CD1 3.74Å; M110-L235 HydrophobicContact SD-CG 4.38Å; F231-L235 WeakPolarHBondContact O-CB 3.35Å; F231-L235 VanDerWaalsContact O-CG 3.29Å; F231-L235 WeakPolarHBondContact O-CG 3.42Å; F231-L235 PolarHBondContact O-N 3.26Å; G232-L235 PolarHBondContact O-N 2.84Å; L235-T237 PolarHBondContact O-N 3.21Å; L235-I238 PolarHBondContact O-N 3.46Å; L235-I239 WeakPolarHBondContact O-CG1 3.36Å; L235-I239 PolarHBondContact O-N 3.4Å |
| 236 | M | 95.9 | Very high | 96.2 | Very high | 8 Ų | 8 | 46.2 Ų | 46.2 | 4% | 0.039 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.8 | -34.5 | 177.6 | -78 | -51.8 | -53 | 0 | 0 | 112.6 | F47 L51 F54 M110 G232 I238 I239 C240 | F47-M236 HydrophobicContact CB-CE 4.13Å; F47-M236 HydrophobicContact CD1-CE 4.05Å; L51-M236 HydrophobicContact CB-CB 4.46Å; L51-M236 HydrophobicContact CD1-CB 4.07Å; F54-M236 HydrophobicContact CD2-CB 4.1Å; F54-M236 HydrophobicContact CD2-CG 3.31Å; F54-M236 HydrophobicContact CE2-CB 4.46Å; F54-M236 HydrophobicContact CE2-CG 3.26Å; F54-M236 HydrophobicContact CE2-SD 4.2Å; F54-M236 HydrophobicContact CZ-CG 4.47Å; M110-M236 HydrophobicContact CE-CG 3.81Å; M110-M236 HydrophobicContact CE-SD 3.41Å; M110-M236 WeakPolarHBondContact CE-SD 3.26Å; G232-M236 WeakPolarHBondContact O-CB 3.32Å; G232-M236 WeakPolarHBondContact O-CG 3.26Å; G232-M236 PolarHBondContact O-N 3.44Å; M236-I238 VanDerWaalsContact C-N 3.33Å; M236-I239 HydrophobicContact CE-CB 4.41Å; M236-I239 HydrophobicContact CE-CG2 4.21Å; M236-I239 PolarHBondContact O-N 2.94Å; M236-I239 HydrophobicContact SD-CD1 3.94Å; M236-C240 WeakPolarHBondContact O-CB 3.44Å; M236-C240 PolarHBondContact O-N 3.5Å; M236-C240 PolarHBondContact O-SG 2.96Å |
| 237 | T | 97.1 | Very high | 95.9 | Very high | 69 Ų | 69 | 54.2 Ų | 54.2 | 42% | 0.423 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.5 | -44.4 | 173.3 | -61 | 0 | 0 | 0 | 0 | 110.4 | C233 I234 L235 I239 C240 V241 | C233-T237 WeakPolarHBondContact O-CB 3.43Å; C233-T237 PolarHBondContact O-N 3.49Å; C233-T237 PolarHBondContact O-OG1 3.01Å; I234-T237 PolarHBondContact O-N 3.36Å; L235-T237 PolarHBondContact O-N 3.21Å; T237-I239 VanDerWaalsContact C-N 3.35Å; T237-I239 PolarHBondContact O-N 2.78Å; T237-C240 PolarHBondContact O-N 2.93Å; T237-V241 VanDerWaalsContact O-CG2 3.32Å; T237-V241 WeakPolarHBondContact O-CG2 3.46Å; T237-V241 PolarHBondContact O-N 3.27Å |
| 238 | I | 96.6 | Very high | 95.4 | Very high | 94 Ų | 94 | 54.4 Ų | 54.4 | 48% | 0.482 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.9 | -46 | 175 | -66.1 | 165.1 | 0 | 0 | 0 | 110.4 | I234 L235 M236 V241 C242 | I234-I238 HydrophobicContact CG2-CD1 4.1Å; I234-I238 WeakPolarHBondContact O-CG1 3.44Å; I234-I238 PolarHBondContact O-N 3.19Å; I234-I238 VanDerWaalsContact O-N 3.09Å; L235-I238 PolarHBondContact O-N 3.46Å; M236-I238 VanDerWaalsContact C-N 3.33Å; I238-V241 PolarHBondContact O-N 3.45Å; I238-C242 PolarHBondContact O-N 3.46Å; I238-C242 PolarHBondContact O-SG 3.13Å |
| 239 | I | 94.7 | Very high | 94.9 | Very high | 49 Ų | 49 | 60 Ų | 60 | 25% | 0.251 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.5 | -47.1 | 177.7 | -71 | 169.6 | 0 | 0 | 0 | 111.4 | M110 L235 M236 T237 V241 C242 F243 | M110-I239 HydrophobicContact CE-CD1 3.48Å; M110-I239 VanDerWaalsContact CE-CD1 3.48Å; L235-I239 WeakPolarHBondContact O-CG1 3.36Å; L235-I239 PolarHBondContact O-N 3.4Å; M236-I239 HydrophobicContact CE-CB 4.41Å; M236-I239 HydrophobicContact CE-CG2 4.21Å; M236-I239 PolarHBondContact O-N 2.94Å; M236-I239 HydrophobicContact SD-CD1 3.94Å; T237-I239 VanDerWaalsContact C-N 3.35Å; T237-I239 PolarHBondContact O-N 2.78Å; I239-V241 VanDerWaalsContact C-N 3.31Å; I239-V241 PolarHBondContact O-N 2.94Å; I239-C242 PolarHBondContact O-N 3.31Å; I239-F243 HydrophobicContact CG2-CD1 4.34Å; I239-F243 HydrophobicContact CG2-CD2 3.63Å; I239-F243 HydrophobicContact CG2-CE1 4.16Å; I239-F243 HydrophobicContact CG2-CE2 3.4Å; I239-F243 VanDerWaalsContact CG2-CE2 3.4Å; I239-F243 HydrophobicContact CG2-CG 4.1Å; I239-F243 HydrophobicContact CG2-CZ 3.71Å; I239-F243 WeakPolarHBondContact O-CB 3.43Å; I239-F243 WeakPolarHBondContact O-CG 3.35Å; I239-F243 PolarHBondContact O-N 3.37Å |
| 240 | C | 94.8 | Very high | 94 | Very high | 7 Ų | 7 | 64.2 Ų | 64.2 | 5% | 0.047 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.2 | -40.5 | 177.4 | -74.6 | 0 | 0 | 0 | 0 | 112.1 | M236 T237 F243 Y244 V263 | M236-C240 WeakPolarHBondContact O-CB 3.44Å; M236-C240 PolarHBondContact O-N 3.5Å; M236-C240 PolarHBondContact O-SG 2.96Å; T237-C240 PolarHBondContact O-N 2.93Å; C240-F243 PolarHBondContact O-N 3.08Å; C240-Y244 PolarHBondContact O-N 2.84Å; C240-V263 HydrophobicContact CB-CG2 3.97Å |
| 241 | V | 96 | Very high | 93 | Very high | 83 Ų | 83 | 65.8 Ų | 65.8 | 50% | 0.503 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.8 | -43.9 | 175 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | T237 I238 I239 Y244 F245 | T237-V241 VanDerWaalsContact O-CG2 3.32Å; T237-V241 WeakPolarHBondContact O-CG2 3.46Å; T237-V241 PolarHBondContact O-N 3.27Å; I238-V241 PolarHBondContact O-N 3.45Å; I239-V241 VanDerWaalsContact C-N 3.31Å; I239-V241 PolarHBondContact O-N 2.94Å; V241-Y244 WeakPolarHBondContact O-CB 3.43Å; V241-Y244 PolarHBondContact O-N 3.36Å; V241-F245 HydrophobicContact CG1-CE2 4.25Å; V241-F245 WeakPolarHBondContact O-CD2 3.45Å |
| 242 | C | 95.4 | Very high | 92.2 | Very high | 66 Ų | 66 | 70.2 Ų | 70.2 | 45% | 0.446 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.1 | -45.1 | 175.2 | -69.8 | 0 | 0 | 0 | 0 | 111.6 | I238 I239 Y244 F245 V246 | I238-C242 PolarHBondContact O-N 3.46Å; I238-C242 PolarHBondContact O-SG 3.13Å; I239-C242 PolarHBondContact O-N 3.31Å; C242-Y244 VanDerWaalsContact C-N 3.25Å; C242-Y244 PolarHBondContact O-N 2.84Å; C242-F245 PolarHBondContact O-N 2.77Å; C242-V246 PolarHBondContact O-N 3.26Å |
| 243 | F | 93.8 | Very high | 91.5 | Very high | 52 Ų | 52 | 70.8 Ų | 70.8 | 23% | 0.228 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -71.1 | -19 | -176.7 | -72.3 | 0.7 | 0 | 0 | 0 | 113.8 | F47 I239 C240 F245 V246 L260 E261 | F47-F243 HydrophobicContact CD1-CD2 4.04Å; F47-F243 AromaticContact CD1-CE2 3.84Å; F47-F243 HydrophobicContact CD1-CE2 3.84Å; F47-F243 AromaticContact CD2-CD2 3.84Å; F47-F243 HydrophobicContact CD2-CD2 3.84Å; F47-F243 HydrophobicContact CD2-CE2 4.24Å; F47-F243 HydrophobicContact CE1-CD2 4.01Å; F47-F243 AromaticContact CE1-CE2 3.43Å; F47-F243 HydrophobicContact CE1-CE2 3.43Å; F47-F243 VanDerWaalsContact CE1-CE2 3.43Å; F47-F243 AromaticContact CE2-CD2 3.76Å; F47-F243 HydrophobicContact CE2-CD2 3.76Å; F47-F243 AromaticContact CE2-CE2 3.84Å; F47-F243 HydrophobicContact CE2-CE2 3.84Å; F47-F243 AromaticContact CG-CD2 3.97Å; F47-F243 HydrophobicContact CG-CD2 3.97Å; F47-F243 HydrophobicContact CG-CE2 4.23Å; F47-F243 AromaticContact CZ-CD2 3.85Å; F47-F243 HydrophobicContact CZ-CD2 3.85Å; F47-F243 AromaticContact CZ-CE2 3.41Å; F47-F243 HydrophobicContact CZ-CE2 3.41Å; F47-F243 VanDerWaalsContact CZ-CE2 3.41Å; I239-F243 HydrophobicContact CG2-CD1 4.34Å; I239-F243 HydrophobicContact CG2-CD2 3.63Å; I239-F243 HydrophobicContact CG2-CE1 4.16Å; I239-F243 HydrophobicContact CG2-CE2 3.4Å; I239-F243 VanDerWaalsContact CG2-CE2 3.4Å; I239-F243 HydrophobicContact CG2-CG 4.1Å; I239-F243 HydrophobicContact CG2-CZ 3.71Å; I239-F243 WeakPolarHBondContact O-CB 3.43Å; I239-F243 WeakPolarHBondContact O-CG 3.35Å; I239-F243 PolarHBondContact O-N 3.37Å; C240-F243 PolarHBondContact O-N 3.08Å; F243-F245 PolarHBondContact O-N 3.46Å; F243-V246 HydrophobicContact CD1-CG2 4.42Å; F243-V246 PolarHBondContact O-N 2.92Å; F243-L260 HydrophobicContact CB-CB 4.27Å; F243-L260 HydrophobicContact CB-CD2 4.29Å; F243-L260 HydrophobicContact CB-CG 4.41Å; F243-L260 HydrophobicContact CD1-CD2 3.84Å; F243-L260 HydrophobicContact CD2-CD2 3.65Å; F243-L260 HydrophobicContact CD2-CG 4.12Å; F243-L260 HydrophobicContact CE1-CD2 3.98Å; F243-L260 HydrophobicContact CE2-CD2 3.8Å; F243-L260 HydrophobicContact CG-CD2 3.67Å; F243-L260 HydrophobicContact CG-CG 4.23Å; F243-L260 HydrophobicContact CZ-CD2 3.96Å; F243-E261 HydrophobicContact CB-CB 3.81Å; F243-E261 PolarHBondContact O-N 2.92Å |
| 244 | Y | 93.9 | Very high | 90.7 | Very high | 64 Ų | 64 | 73.1 Ų | 73.1 | 25% | 0.251 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.5 | -30.9 | 167.4 | -178.8 | -101.6 | 0 | 0 | 0 | 112.9 | C240 V241 C242 R259 E261 L264 | C240-Y244 PolarHBondContact O-N 2.84Å; V241-Y244 WeakPolarHBondContact O-CB 3.43Å; V241-Y244 PolarHBondContact O-N 3.36Å; C242-Y244 VanDerWaalsContact C-N 3.25Å; C242-Y244 PolarHBondContact O-N 2.84Å; Y244-R259 VanDerWaalsContact CD1-NH1 3.27Å; Y244-R259 VanDerWaalsContact CZ-CZ 3.42Å; Y244-R259 WeakPolarHBondContact O-CD 3.36Å; Y244-R259 PolarHBondContact O-NH1 2.78Å; Y244-R259 PolarHBondContact OH-NH1 3.44Å; Y244-R259 PolarHBondContact OH-NH2 3.26Å; Y244-E261 VanDerWaalsContact CA-O 3.3Å; Y244-E261 WeakPolarHBondContact CA-O 3.47Å; Y244-L264 HydrophobicContact CE2-CD1 4.09Å |
| 245 | F | 94.2 | Very high | 90.1 | Very high | 152 Ų | 152 | 69.3 Ų | 69.3 | 67% | 0.667 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -95.7 | -16.5 | 179.9 | -61.1 | -71.8 | 0 | 0 | 0 | 113.4 | V241 C242 F243 | V241-F245 HydrophobicContact CG1-CE2 4.25Å; V241-F245 WeakPolarHBondContact O-CD2 3.45Å; C242-F245 PolarHBondContact O-N 2.77Å; F243-F245 PolarHBondContact O-N 3.46Å |
| 246 | V | 92.7 | Very high | 89.4 | Confident | 67 Ų | 67 | 70.4 Ų | 70.4 | 41% | 0.406 | 37% | 0.372 | S | S | . | . | trans | -82.7 | 127 | 178.1 | 176.7 | 0 | 0 | 0 | 0 | 109.7 | C242 F243 R259 L260 | C242-V246 PolarHBondContact O-N 3.26Å; F243-V246 HydrophobicContact CD1-CG2 4.42Å; F243-V246 PolarHBondContact O-N 2.92Å; V246-R259 WeakPolarHBondContact O-CA 3.41Å; V246-L260 HydrophobicContact CB-CB 4.4Å; V246-L260 HydrophobicContact CG1-CB 4.36Å; V246-L260 HydrophobicContact CG1-CD2 4.35Å; V246-L260 PolarHBondContact O-N 2.98Å | ||
| 247 | K | 91.5 | Very high | 88.9 | Confident | 167 Ų | 167 | 74.9 Ų | 74.9 | 73% | 0.726 | 39% | 0.392 | S | S | * | . | B | Isolated β-bridge | trans | -90.1 | 137.3 | 172.5 | -65.9 | -175.7 | 178.5 | -179 | 0 | 110.9 | M258 | K247-M258 CarbonylContact C-O 3.49Å; K247-M258 WeakPolarHBondContact CA-O 3.3Å |
| 248 | A | 87.6 | Confident | 88.5 | Confident | 16 Ų | 16 | 74.1 Ų | 74.1 | 13% | 0.132 | 39% | 0.385 | C | S | . | . | trans | -132.9 | 161.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | F252 T253 M258 L260 | A248-F252 HydrophobicContact CB-CB 4.18Å; A248-T253 HydrophobicContact CB-CG2 3.91Å; A248-T253 WeakPolarHBondContact O-CG2 3.29Å; A248-M258 PolarHBondContact N-O 3.44Å; A248-M258 VanDerWaalsContact O-CE 3.27Å; A248-M258 WeakPolarHBondContact O-CE 3.46Å; A248-L260 HydrophobicContact CB-CB 4.03Å; A248-L260 HydrophobicContact CB-CD1 3.69Å; A248-L260 HydrophobicContact CB-CG 4.42Å | ||
| 249 | Q | 85.5 | Confident | 88.3 | Confident | 128 Ų | 128 | 71.8 Ų | 71.8 | 60% | 0.598 | 37% | 0.37 | S | S | * | . | trans | -105.4 | 158.4 | 176.7 | -63.8 | -64.4 | -41.2 | 0 | 0 | 110.4 | F252 M258 | Q249-F252 WeakPolarHBondContact O-CB 3.36Å; Q249-F252 PolarHBondContact O-N 3.23Å; Q249-M258 VanDerWaalsContact CD-CE 3.49Å | ||
| 250 | P | 80.2 | Confident | 88.1 | Confident | 89 Ų | 89 | 71 Ų | 71 | 58% | 0.578 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | 141.7 | 167.3 | -24.7 | 33.8 | 0 | 0 | 0 | 110.7 | M258 | P250-M258 HydrophobicContact CG-CE 4.48Š|
| 251 | P | 76.3 | Confident | 87.9 | Confident | 88 Ų | 88 | 70.8 Ų | 70.8 | 57% | 0.571 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -88.3 | 3.1 | 8.7 | 36.1 | -36.5 | 0 | 0 | 0 | 114.8 | T253 | P251-T253 VanDerWaalsContact C-N 3.3Å; P251-T253 PolarHBondContact O-N 2.84Å |
| 252 | F | 80.6 | Confident | 87.8 | Confident | 121 Ų | 121 | 67.3 Ų | 67.3 | 53% | 0.531 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -72.3 | -21.9 | -173.2 | -62.7 | -72 | 0 | 0 | 0 | 114.2 | A248 Q249 L260 | A248-F252 HydrophobicContact CB-CB 4.18Å; Q249-F252 WeakPolarHBondContact O-CB 3.36Å; Q249-F252 PolarHBondContact O-N 3.23Å; F252-L260 HydrophobicContact CB-CD1 4.11Å |
| 253 | T | 82.7 | Confident | 87.7 | Confident | 13 Ų | 13 | 65.3 Ų | 65.3 | 8% | 0.08 | 33% | 0.329 | C | S | . | . | trans | -145.2 | 148.6 | 174.6 | -177 | 0 | 0 | 0 | 0 | 111.2 | A248 P251 D255 R259 | A248-T253 HydrophobicContact CB-CG2 3.91Å; A248-T253 WeakPolarHBondContact O-CG2 3.29Å; P251-T253 VanDerWaalsContact C-N 3.3Å; P251-T253 PolarHBondContact O-N 2.84Å; T253-D255 WeakPolarHBondContact OG1-CB 3.43Å; T253-D255 PolarHBondContact OG1-N 3.35Å; T253-R259 WeakPolarHBondContact CB-O 3.43Å; T253-R259 PolarHBondContact OG1-O 3.07Å | ||
| 254 | I | 81.1 | Confident | 87.8 | Confident | 65 Ų | 65 | 67.3 Ų | 67.3 | 33% | 0.333 | 34% | 0.341 | S | S | . | . | trans | -114.8 | 14 | 168.9 | 61.8 | 168.5 | 0 | 0 | 0 | 111.1 | R41 P42 | R41-I254 WeakPolarHBondContact CD-O 3.16Å; R41-I254 PolarHBondContact NH1-O 2.7Å; P42-I254 HydrophobicContact CG-CD1 3.67Å; P42-I254 WeakPolarHBondContact O-CD1 3.39Å | ||
| 255 | D | 84.6 | Confident | 87.7 | Confident | 10 Ų | 10 | 65.6 Ų | 65.6 | 5% | 0.053 | 34% | 0.335 | C | S | . | . | trans | -72.3 | 136.9 | 179.1 | 179.4 | 79.6 | 0 | 0 | 0 | 110.8 | T253 E257 M258 R259 N262 | T253-D255 WeakPolarHBondContact OG1-CB 3.43Å; T253-D255 PolarHBondContact OG1-N 3.35Å; D255-E257 PolarHBondContact O-N 3.17Å; D255-E257 VanDerWaalsContact OD2-CA 3.29Å; D255-E257 WeakPolarHBondContact OD2-CA 3.21Å; D255-E257 VanDerWaalsContact OD2-CB 3.29Å; D255-E257 WeakPolarHBondContact OD2-CB 3.15Å; D255-E257 PolarHBondContact OD2-N 2.93Å; D255-M258 PolarHBondContact O-N 2.86Å; D255-M258 PolarHBondContact OD2-N 3.35Å; D255-R259 PolarHBondContact OD2-N 3.4Å; D255-N262 WeakPolarHBondContact OD1-CB 3.48Å; D255-N262 PolarHBondContact OD1-ND2 3.43Å | ||
| 256 | P | 81.9 | Confident | 87.7 | Confident | 71 Ų | 71 | 58.3 Ų | 58.3 | 46% | 0.461 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -31.5 | 178.4 | -18.4 | 26.6 | 0 | 0 | 0 | 114.1 | M258 | P256-M258 PolarHBondContact O-N 3.36Š|
| 257 | E | 86.5 | Confident | 87.8 | Confident | 101 Ų | 101 | 60.8 Ų | 60.8 | 47% | 0.472 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 7.1 | 179.7 | -54.4 | 177 | -167.5 | 0 | 0 | 111.4 | D255 R259 | D255-E257 PolarHBondContact O-N 3.17Å; D255-E257 VanDerWaalsContact OD2-CA 3.29Å; D255-E257 WeakPolarHBondContact OD2-CA 3.21Å; D255-E257 VanDerWaalsContact OD2-CB 3.29Å; D255-E257 WeakPolarHBondContact OD2-CB 3.15Å; D255-E257 PolarHBondContact OD2-N 2.93Å; E257-R259 HydrophobicContact CB-CG 4.15Å; E257-R259 PolarHBondContact O-N 3.23Å; E257-R259 IonicContact OE2-CZ 3.46Å; E257-R259 IonicContact OE2-NE 2.83Å; E257-R259 PolarHBondContact OE2-NE 3.21Å; E257-R259 IonicContact OE2-NH2 3.09Å; E257-R259 PolarHBondContact OE2-NH2 3.28Å |
| 258 | M | 88.8 | Confident | 88 | Confident | 54 Ų | 54 | 60.2 Ų | 60.2 | 27% | 0.266 | 30% | 0.302 | S | S | . | . | trans | 59.2 | 27.9 | 178.4 | -54.5 | -66.6 | -63.5 | 0 | 0 | 112.6 | K247 A248 Q249 P250 D255 P256 | K247-M258 CarbonylContact C-O 3.49Å; K247-M258 WeakPolarHBondContact CA-O 3.3Å; A248-M258 PolarHBondContact N-O 3.44Å; A248-M258 VanDerWaalsContact O-CE 3.27Å; A248-M258 WeakPolarHBondContact O-CE 3.46Å; Q249-M258 VanDerWaalsContact CD-CE 3.49Å; P250-M258 HydrophobicContact CG-CE 4.48Å; D255-M258 PolarHBondContact O-N 2.86Å; D255-M258 PolarHBondContact OD2-N 3.35Å; P256-M258 PolarHBondContact O-N 3.36Å | ||
| 259 | R | 91.9 | Very high | 88.3 | Confident | 44 Ų | 44 | 59.5 Ų | 59.5 | 17% | 0.166 | 30% | 0.296 | C | S | . | . | B | Isolated β-bridge | trans | -78.1 | 142.9 | 175.9 | -61.4 | 170.5 | -173.3 | -113.8 | 17.5 | 110 | Y244 V246 T253 D255 E257 E261 | Y244-R259 VanDerWaalsContact CD1-NH1 3.27Å; Y244-R259 VanDerWaalsContact CZ-CZ 3.42Å; Y244-R259 WeakPolarHBondContact O-CD 3.36Å; Y244-R259 PolarHBondContact O-NH1 2.78Å; Y244-R259 PolarHBondContact OH-NH1 3.44Å; Y244-R259 PolarHBondContact OH-NH2 3.26Å; V246-R259 WeakPolarHBondContact O-CA 3.41Å; T253-R259 WeakPolarHBondContact CB-O 3.43Å; T253-R259 PolarHBondContact OG1-O 3.07Å; D255-R259 PolarHBondContact OD2-N 3.4Å; E257-R259 HydrophobicContact CB-CG 4.15Å; E257-R259 PolarHBondContact O-N 3.23Å; E257-R259 IonicContact OE2-CZ 3.46Å; E257-R259 IonicContact OE2-NE 2.83Å; E257-R259 PolarHBondContact OE2-NE 3.21Å; E257-R259 IonicContact OE2-NH2 3.09Å; E257-R259 PolarHBondContact OE2-NH2 3.28Å; R259-E261 VanDerWaalsContact C-N 3.33Å; R259-E261 PolarHBondContact O-N 2.89Å |
| 260 | L | 89.5 | Confident | 88.8 | Confident | 32 Ų | 32 | 54.8 Ų | 54.8 | 17% | 0.168 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -62.9 | -41.8 | -179.9 | -178.9 | 60.6 | 0 | 0 | 0 | 111.6 | F47 F243 V246 A248 F252 | F47-L260 HydrophobicContact CE2-CD1 4.43Å; F47-L260 HydrophobicContact CE2-CG 4.18Å; F243-L260 HydrophobicContact CB-CB 4.27Å; F243-L260 HydrophobicContact CB-CD2 4.29Å; F243-L260 HydrophobicContact CB-CG 4.41Å; F243-L260 HydrophobicContact CD1-CD2 3.84Å; F243-L260 HydrophobicContact CD2-CD2 3.65Å; F243-L260 HydrophobicContact CD2-CG 4.12Å; F243-L260 HydrophobicContact CE1-CD2 3.98Å; F243-L260 HydrophobicContact CE2-CD2 3.8Å; F243-L260 HydrophobicContact CG-CD2 3.67Å; F243-L260 HydrophobicContact CG-CG 4.23Å; F243-L260 HydrophobicContact CZ-CD2 3.96Å; V246-L260 HydrophobicContact CB-CB 4.4Å; V246-L260 HydrophobicContact CG1-CB 4.36Å; V246-L260 HydrophobicContact CG1-CD2 4.35Å; V246-L260 PolarHBondContact O-N 2.98Å; A248-L260 HydrophobicContact CB-CB 4.03Å; A248-L260 HydrophobicContact CB-CD1 3.69Å; A248-L260 HydrophobicContact CB-CG 4.42Å; F252-L260 HydrophobicContact CB-CD1 4.11Å |
| 261 | E | 91.5 | Very high | 89.5 | Confident | 3 Ų | 3 | 54.8 Ų | 54.8 | 1% | 0.014 | 28% | 0.277 | C | S | . | . | trans | -141.4 | 134.4 | 172.5 | -179.2 | 62.6 | -127.5 | 0 | 0 | 109.8 | H45 F47 F243 Y244 R259 V263 | H45-E261 WeakPolarHBondContact CB-OE1 3.28Å; H45-E261 IonicContact CE1-OE1 3.09Å; H45-E261 IonicContact CG-OE1 2.7Å; H45-E261 IonicContact ND1-OE1 2.69Å; H45-E261 PolarHBondContact ND1-OE1 2.6Å; F47-E261 HydrophobicContact CB-CB 4.37Å; F47-E261 HydrophobicContact CB-CG 3.86Å; F47-E261 WeakPolarHBondContact CB-OE2 2.87Å; F47-E261 HydrophobicContact CD2-CB 3.9Å; F47-E261 HydrophobicContact CD2-CG 4.21Å; F47-E261 WeakPolarHBondContact CD2-OE2 3.42Å; F47-E261 HydrophobicContact CG-CG 4.49Å; F47-E261 PolarHBondContact N-OE2 3.37Å; F243-E261 HydrophobicContact CB-CB 3.81Å; F243-E261 PolarHBondContact O-N 2.92Å; Y244-E261 VanDerWaalsContact CA-O 3.3Å; Y244-E261 WeakPolarHBondContact CA-O 3.47Å; R259-E261 VanDerWaalsContact C-N 3.33Å; R259-E261 PolarHBondContact O-N 2.89Å; E261-V263 HydrophobicContact CG-CG2 4.03Å | ||
| 262 | N | 93.8 | Very high | 90.4 | Very high | 10 Ų | 10 | 53.8 Ų | 53.8 | 5% | 0.053 | 28% | 0.276 | C | S | . | . | trans | -129.3 | 80.5 | 179.4 | -168.7 | -8.6 | 0 | 0 | 0 | 110.7 | H45 D255 L264 F265 A266 | H45-N262 PolarHBondContact CE1-O 2.98Å; D255-N262 WeakPolarHBondContact OD1-CB 3.48Å; D255-N262 PolarHBondContact OD1-ND2 3.43Å; N262-L264 PolarHBondContact O-N 3.46Å; N262-L264 PolarHBondContact OD1-N 2.96Å; N262-F265 HydrophobicContact CB-CB 3.92Å; N262-F265 VanDerWaalsContact CG-CB 3.43Å; N262-F265 WeakPolarHBondContact ND2-CB 3.19Å; N262-F265 WeakPolarHBondContact O-CB 3.41Å; N262-F265 PolarHBondContact O-N 3.47Å; N262-F265 PolarHBondContact OD1-N 3.1Å; N262-F265 VanDerWaalsContact OD1-N 3.14Å; N262-A266 PolarHBondContact O-N 3.37Å | ||
| 263 | V | 94.3 | Very high | 91.1 | Very high | 25 Ų | 25 | 50.1 Ų | 50.1 | 15% | 0.152 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -57.6 | -34.2 | 179.8 | 177.3 | 0 | 0 | 0 | 0 | 112.2 | L48 C240 E261 A266 F267 | L48-V263 HydrophobicContact CD1-CG1 3.97Å; L48-V263 HydrophobicContact CD1-CG2 4.49Å; C240-V263 HydrophobicContact CB-CG2 3.97Å; E261-V263 HydrophobicContact CG-CG2 4.03Å; V263-A266 WeakPolarHBondContact O-CB 3.45Å; V263-A266 PolarHBondContact O-N 2.91Å; V263-F267 HydrophobicContact CG1-CD2 3.89Å; V263-F267 HydrophobicContact CG1-CE2 3.42Å; V263-F267 VanDerWaalsContact CG1-CE2 3.42Å; V263-F267 HydrophobicContact CG1-CZ 4.1Å; V263-F267 WeakPolarHBondContact O-CD2 3.25Å; V263-F267 PolarHBondContact O-N 2.82Å |
| 264 | L | 93.9 | Very high | 91.6 | Very high | 94 Ų | 94 | 53.7 Ų | 53.7 | 49% | 0.492 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -66.6 | -38.4 | 177 | -61.3 | -179.1 | 0 | 0 | 0 | 111.8 | Y244 N262 F267 R268 | Y244-L264 HydrophobicContact CE2-CD1 4.09Å; N262-L264 PolarHBondContact O-N 3.46Å; N262-L264 PolarHBondContact OD1-N 2.96Å; L264-F267 PolarHBondContact O-N 2.69Å; L264-R268 PolarHBondContact O-N 3.08Å |
| 265 | F | 93.4 | Very high | 92.3 | Very high | 27 Ų | 27 | 55 Ų | 55 | 12% | 0.118 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -67.1 | -39.8 | 172.9 | -178.8 | -108.7 | 0 | 0 | 0 | 111.6 | I39 H45 N262 F267 R268 Q269 | I39-F265 HydrophobicContact CB-CE2 4.43Å; I39-F265 HydrophobicContact CB-CZ 4.31Å; I39-F265 HydrophobicContact CD1-CE2 4.27Å; I39-F265 HydrophobicContact CG2-CE2 4.26Å; I39-F265 HydrophobicContact CG2-CZ 4.49Å; H45-F265 AromaticContact CE1-CD1 3.99Å; H45-F265 AromaticContact NE2-CD1 3.73Å; N262-F265 HydrophobicContact CB-CB 3.92Å; N262-F265 VanDerWaalsContact CG-CB 3.43Å; N262-F265 WeakPolarHBondContact ND2-CB 3.19Å; N262-F265 WeakPolarHBondContact O-CB 3.41Å; N262-F265 PolarHBondContact O-N 3.47Å; N262-F265 PolarHBondContact OD1-N 3.1Å; N262-F265 VanDerWaalsContact OD1-N 3.14Å; F265-F267 VanDerWaalsContact C-N 3.33Å; F265-F267 PolarHBondContact O-N 2.93Å; F265-R268 WeakPolarHBondContact O-CA 3.24Å; F265-R268 WeakPolarHBondContact O-CB 3.47Å; F265-R268 PolarHBondContact O-N 2.7Å; F265-Q269 HydrophobicContact CD1-CG 4.18Å; F265-Q269 VanDerWaalsContact CE1-CD 3.43Å; F265-Q269 HydrophobicContact CE1-CG 3.74Å; F265-Q269 HydrophobicContact CE2-CG 4.46Å; F265-Q269 HydrophobicContact CZ-CG 3.9Å; F265-Q269 PolarHBondContact O-N 3.26Å |
| 266 | A | 93.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.4 | -43.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | F43 H45 L48 N262 V263 R268 Q269 I270 | F43-A266 HydrophobicContact CE2-CB 4.11Å; H45-A266 HydrophobicContact CB-CB 4.32Å; L48-A266 HydrophobicContact CD2-CB 3.29Å; N262-A266 PolarHBondContact O-N 3.37Å; V263-A266 WeakPolarHBondContact O-CB 3.45Å; V263-A266 PolarHBondContact O-N 2.91Å; A266-R268 VanDerWaalsContact C-N 3.31Å; A266-R268 PolarHBondContact O-N 3.01Å; A266-Q269 WeakPolarHBondContact O-CB 3.13Å; A266-Q269 PolarHBondContact O-N 3.33Å; A266-Q269 VanDerWaalsContact O-N 3.15Å; A266-I270 WeakPolarHBondContact O-CG1 3.17Å; A266-I270 PolarHBondContact O-N 3.35Å |
| 267 | F | 95.4 | Very high | 93.4 | Very high | 118 Ų | 118 | 55 Ų | 55 | 52% | 0.518 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62 | -37.9 | 174.7 | -74.5 | -53.9 | 0 | 0 | 0 | 112.6 | V263 L264 F265 I270 S271 | V263-F267 HydrophobicContact CG1-CD2 3.89Å; V263-F267 HydrophobicContact CG1-CE2 3.42Å; V263-F267 VanDerWaalsContact CG1-CE2 3.42Å; V263-F267 HydrophobicContact CG1-CZ 4.1Å; V263-F267 WeakPolarHBondContact O-CD2 3.25Å; V263-F267 PolarHBondContact O-N 2.82Å; L264-F267 PolarHBondContact O-N 2.69Å; F265-F267 VanDerWaalsContact C-N 3.33Å; F265-F267 PolarHBondContact O-N 2.93Å; F267-I270 HydrophobicContact CD1-CD1 4.49Å; F267-I270 PolarHBondContact O-N 3.02Å; F267-S271 WeakPolarHBondContact O-CB 3.47Å; F267-S271 PolarHBondContact O-N 2.9Å; F267-S271 PolarHBondContact O-OG 3.29Å |
| 268 | R | 94.6 | Very high | 93.9 | Very high | 156 Ų | 156 | 54.8 Ų | 54.8 | 59% | 0.589 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -64 | -43.7 | 172.6 | -68 | 177.7 | -174.4 | 160.1 | 1.8 | 111.1 | I39 L264 F265 A266 I270 S271 A272 | I39-R268 HydrophobicContact CD1-CB 3.88Å; L264-R268 PolarHBondContact O-N 3.08Å; F265-R268 WeakPolarHBondContact O-CA 3.24Å; F265-R268 WeakPolarHBondContact O-CB 3.47Å; F265-R268 PolarHBondContact O-N 2.7Å; A266-R268 VanDerWaalsContact C-N 3.31Å; A266-R268 PolarHBondContact O-N 3.01Å; R268-I270 VanDerWaalsContact C-N 3.34Å; R268-I270 PolarHBondContact O-N 2.94Å; R268-S271 WeakPolarHBondContact CA-OG 3.28Å; R268-S271 PolarHBondContact O-N 3.09Å; R268-S271 PolarHBondContact O-OG 3.29Å; R268-A272 WeakPolarHBondContact O-CB 3.31Å; R268-A272 PolarHBondContact O-N 2.74Å |
| 269 | Q | 94.6 | Very high | 94.2 | Very high | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.7 | -42.8 | 176 | -76.5 | -170.8 | -46.9 | 0 | 0 | 112.2 | S38 I39 R41 P42 F43 H45 F265 A266 A272 N273 | S38-Q269 PolarHBondContact O-NE2 3.1Å; S38-Q269 WeakPolarHBondContact OG-CA 3.45Å; S38-Q269 PolarHBondContact OG-O 3.39Å; I39-Q269 HydrophobicContact CB-CG 4.45Å; I39-Q269 HydrophobicContact CD1-CB 4.49Å; I39-Q269 HydrophobicContact CD1-CG 3.98Å; I39-Q269 HydrophobicContact CG1-CG 4.18Å; R41-Q269 PolarHBondContact O-NE2 3.08Å; P42-Q269 PolarHBondContact O-NE2 3.16Å; F43-Q269 HydrophobicContact CD2-CB 4.12Å; H45-Q269 PolarHBondContact CD2-OE1 2.91Å; H45-Q269 PolarHBondContact NE2-OE1 2.83Å; F265-Q269 HydrophobicContact CD1-CG 4.18Å; F265-Q269 VanDerWaalsContact CE1-CD 3.43Å; F265-Q269 HydrophobicContact CE1-CG 3.74Å; F265-Q269 HydrophobicContact CE2-CG 4.46Å; F265-Q269 HydrophobicContact CZ-CG 3.9Å; F265-Q269 PolarHBondContact O-N 3.26Å; A266-Q269 WeakPolarHBondContact O-CB 3.13Å; A266-Q269 PolarHBondContact O-N 3.33Å; A266-Q269 VanDerWaalsContact O-N 3.15Å; Q269-A272 PolarHBondContact O-N 2.72Å; Q269-N273 PolarHBondContact O-N 2.92Å |
| 270 | I | 95.3 | Very high | 94.5 | Very high | 28 Ų | 28 | 50.7 Ų | 50.7 | 14% | 0.144 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.4 | -41.5 | 175.9 | -66.4 | 164.4 | 0 | 0 | 0 | 110.8 | F43 A266 F267 R268 A272 N273 S274 I276 | F43-I270 HydrophobicContact CE2-CD1 4.16Å; F43-I270 HydrophobicContact CE2-CG1 3.88Å; F43-I270 HydrophobicContact CZ-CD1 4.25Å; F43-I270 HydrophobicContact CZ-CG1 4.36Å; A266-I270 WeakPolarHBondContact O-CG1 3.17Å; A266-I270 PolarHBondContact O-N 3.35Å; F267-I270 HydrophobicContact CD1-CD1 4.49Å; F267-I270 PolarHBondContact O-N 3.02Å; R268-I270 VanDerWaalsContact C-N 3.34Å; R268-I270 PolarHBondContact O-N 2.94Å; I270-A272 VanDerWaalsContact C-N 3.33Å; I270-A272 PolarHBondContact O-N 3.36Å; I270-N273 CarbonylContact O-C 3.35Å; I270-N273 PolarHBondContact O-N 2.96Å; I270-S274 WeakPolarHBondContact O-CA 3.42Å; I270-S274 PolarHBondContact O-N 3.43Å; I270-I276 HydrophobicContact CG1-CB 4.34Å; I270-I276 HydrophobicContact CG1-CG2 3.85Å |
| 271 | S | 94.9 | Very high | 94.8 | Very high | 89 Ų | 89 | 53.4 Ų | 53.4 | 62% | 0.622 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -67.5 | -32.5 | 178.2 | 71.8 | 0 | 0 | 0 | 0 | 113.3 | F267 R268 | F267-S271 WeakPolarHBondContact O-CB 3.47Å; F267-S271 PolarHBondContact O-N 2.9Å; F267-S271 PolarHBondContact O-OG 3.29Å; R268-S271 WeakPolarHBondContact CA-OG 3.28Å; R268-S271 PolarHBondContact O-N 3.09Å; R268-S271 PolarHBondContact O-OG 3.29Å |
| 272 | A | 95.3 | Very high | 95.1 | Very high | 68 Ų | 68 | 54.4 Ų | 54.4 | 56% | 0.562 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -79.1 | -32.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | I39 R268 Q269 I270 | I39-A272 HydrophobicContact CD1-CB 4.19Å; I39-A272 HydrophobicContact CG1-CB 3.89Å; R268-A272 WeakPolarHBondContact O-CB 3.31Å; R268-A272 PolarHBondContact O-N 2.74Å; Q269-A272 PolarHBondContact O-N 2.72Å; I270-A272 VanDerWaalsContact C-N 3.33Å; I270-A272 PolarHBondContact O-N 3.36Å |
| 273 | N | 94.9 | Very high | 95.2 | Very high | 43 Ų | 43 | 53.9 Ų | 53.9 | 23% | 0.23 | 30% | 0.297 | C | S | . | . | trans | -129.3 | 85.8 | 175.5 | -174.8 | -5.1 | 0 | 0 | 0 | 110 | Y37 Q269 I270 L275 I276 | Y37-N273 PolarHBondContact O-ND2 2.98Å; Q269-N273 PolarHBondContact O-N 2.92Å; I270-N273 CarbonylContact O-C 3.35Å; I270-N273 PolarHBondContact O-N 2.96Å; N273-L275 PolarHBondContact O-N 2.92Å; N273-L275 VanDerWaalsContact OD1-CB 3.22Å; N273-L275 WeakPolarHBondContact OD1-CB 3.45Å; N273-L275 PolarHBondContact OD1-N 2.96Å; N273-I276 HydrophobicContact CB-CD1 3.97Å; N273-I276 HydrophobicContact CB-CG1 4.22Å; N273-I276 WeakPolarHBondContact O-CB 3.32Å; N273-I276 WeakPolarHBondContact O-CG1 3.5Å; N273-I276 PolarHBondContact O-N 3.41Å | ||
| 274 | S | 93.4 | Very high | 95.3 | Very high | 88 Ų | 88 | 54.2 Ų | 54.2 | 62% | 0.615 | 30% | 0.298 | S | S | * | . | G | 310 helix | trans | -60.4 | -16.5 | -178.5 | -50.8 | 0 | 0 | 0 | 0 | 113.8 | I270 I276 L277 | I270-S274 WeakPolarHBondContact O-CA 3.42Å; I270-S274 PolarHBondContact O-N 3.43Å; S274-I276 PolarHBondContact O-N 2.82Å; S274-L277 VanDerWaalsContact O-CB 3.24Å; S274-L277 WeakPolarHBondContact O-CB 3.36Å; S274-L277 PolarHBondContact O-N 2.81Å; S274-L277 VanDerWaalsContact O-N 3.09Å |
| 275 | L | 95.8 | Very high | 95.5 | Very high | 93 Ų | 93 | 53.7 Ų | 53.7 | 49% | 0.487 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -63.1 | -26.7 | 174.7 | -167.9 | 68.1 | 0 | 0 | 0 | 111.8 | M36 N273 L277 L278 P279 | M36-L275 HydrophobicContact CE-CD2 3.68Å; M36-L275 HydrophobicContact CE-CG 3.76Å; M36-L275 HydrophobicContact SD-CD2 4.19Å; N273-L275 PolarHBondContact O-N 2.92Å; N273-L275 VanDerWaalsContact OD1-CB 3.22Å; N273-L275 WeakPolarHBondContact OD1-CB 3.45Å; N273-L275 PolarHBondContact OD1-N 2.96Å; L275-L277 PolarHBondContact O-N 2.85Å; L275-L278 PolarHBondContact O-N 3.32Å; L275-L278 VanDerWaalsContact O-N 3.17Å; L275-P279 WeakPolarHBondContact O-CD 3.3Å |
| 276 | I | 95.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -60.2 | -28 | 175 | -61.5 | 173.3 | 0 | 0 | 0 | 111.2 | M36 F43 I270 N273 S274 L278 P279 I280 | M36-I276 HydrophobicContact CB-CD1 4.24Å; M36-I276 HydrophobicContact CB-CG1 3.73Å; M36-I276 HydrophobicContact CG-CG1 4.01Å; F43-I276 HydrophobicContact CB-CD1 4.26Å; F43-I276 HydrophobicContact CD1-CG2 4.21Å; F43-I276 HydrophobicContact CD2-CD1 3.95Å; F43-I276 HydrophobicContact CD2-CG2 3.97Å; F43-I276 HydrophobicContact CE1-CG2 4.22Å; F43-I276 HydrophobicContact CE2-CG2 3.96Å; F43-I276 HydrophobicContact CG-CD1 4.28Å; F43-I276 HydrophobicContact CG-CG2 4.09Å; F43-I276 HydrophobicContact CZ-CG2 4.09Å; I270-I276 HydrophobicContact CG1-CB 4.34Å; I270-I276 HydrophobicContact CG1-CG2 3.85Å; N273-I276 HydrophobicContact CB-CD1 3.97Å; N273-I276 HydrophobicContact CB-CG1 4.22Å; N273-I276 WeakPolarHBondContact O-CB 3.32Å; N273-I276 WeakPolarHBondContact O-CG1 3.5Å; N273-I276 PolarHBondContact O-N 3.41Å; S274-I276 PolarHBondContact O-N 2.82Å; I276-L278 PolarHBondContact O-N 2.66Å; I276-P279 WeakPolarHBondContact O-CD 3.44Å; I276-P279 VanDerWaalsContact O-CG 3.29Å; I276-P279 WeakPolarHBondContact O-CG 3.43Å; I276-I280 HydrophobicContact CG2-CG1 4.13Å; I276-I280 VanDerWaalsContact O-CG1 3.28Å; I276-I280 WeakPolarHBondContact O-CG1 3.33Å; I276-I280 PolarHBondContact O-N 3.44Å |
| 277 | L | 95.2 | Very high | 95.9 | Very high | 80 Ų | 80 | 52.6 Ų | 52.6 | 42% | 0.419 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.1 | -31.4 | 179.5 | -171 | 62.9 | 0 | 0 | 0 | 112.2 | S274 L275 I280 L281 | S274-L277 VanDerWaalsContact O-CB 3.24Å; S274-L277 WeakPolarHBondContact O-CB 3.36Å; S274-L277 PolarHBondContact O-N 2.81Å; S274-L277 VanDerWaalsContact O-N 3.09Å; L275-L277 PolarHBondContact O-N 2.85Å; L277-I280 PolarHBondContact O-N 3.17Å; L277-L281 HydrophobicContact CD1-CD1 4.33Å; L277-L281 HydrophobicContact CD1-CD2 4.49Å; L277-L281 HydrophobicContact CD1-CG 4.08Å; L277-L281 HydrophobicContact CD2-CD1 4.23Å; L277-L281 HydrophobicContact CG-CD1 3.8Å; L277-L281 HydrophobicContact CG-CG 4.01Å; L277-L281 WeakPolarHBondContact O-CB 3.35Å; L277-L281 VanDerWaalsContact O-CG 3.25Å; L277-L281 WeakPolarHBondContact O-CG 3.42Å; L277-L281 PolarHBondContact O-N 3.1Å |
| 278 | L | 96.5 | Very high | 96 | Very high | 98 Ų | 98 | 47.5 Ų | 47.5 | 51% | 0.513 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.1 | -54.6 | -179.2 | 179.7 | 60.1 | 0 | 0 | 0 | 113.2 | W32 L275 I276 I280 L281 G282 | W32-L278 HydrophobicContact CH2-CD2 3.55Å; W32-L278 HydrophobicContact CH2-CG 4.09Å; W32-L278 HydrophobicContact CZ3-CD2 3.97Å; W32-L278 HydrophobicContact CZ3-CG 4.03Å; L275-L278 PolarHBondContact O-N 3.32Å; L275-L278 VanDerWaalsContact O-N 3.17Å; I276-L278 PolarHBondContact O-N 2.66Å; L278-I280 VanDerWaalsContact C-N 3.31Å; L278-I280 PolarHBondContact O-N 3.37Å; L278-L281 PolarHBondContact O-N 2.79Å; L278-G282 PolarHBondContact O-N 3.4Å |
| 279 | P | 95.8 | Very high | 96.1 | Very high | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.013 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64 | -33.5 | 174.1 | 22.8 | -31.2 | 0 | 0 | 0 | 112.6 | A29 W32 A33 M36 L275 I276 G282 L283 | A29-P279 WeakPolarHBondContact O-CB 3.33Å; W32-P279 HydrophobicContact CB-CB 4.09Å; W32-P279 HydrophobicContact CD2-CB 4.06Å; W32-P279 HydrophobicContact CD2-CG 4.28Å; W32-P279 HydrophobicContact CE3-CB 3.78Å; W32-P279 HydrophobicContact CE3-CG 4.29Å; W32-P279 HydrophobicContact CG-CB 4.22Å; W32-P279 HydrophobicContact CG-CG 4.47Å; A33-P279 HydrophobicContact CB-CB 4.08Å; A33-P279 HydrophobicContact CB-CG 4.12Å; M36-P279 HydrophobicContact CE-CG 4.37Å; L275-P279 WeakPolarHBondContact O-CD 3.3Å; I276-P279 WeakPolarHBondContact O-CD 3.44Å; I276-P279 VanDerWaalsContact O-CG 3.29Å; I276-P279 WeakPolarHBondContact O-CG 3.43Å; P279-G282 PolarHBondContact O-N 3.43Å; P279-L283 VanDerWaalsContact O-CB 3.26Å; P279-L283 WeakPolarHBondContact O-CB 3.43Å; P279-L283 PolarHBondContact O-N 2.8Å |
| 280 | I | 96.6 | Very high | 96.3 | Very high | 10 Ų | 10 | 46.1 Ų | 46.1 | 5% | 0.051 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.7 | -42.8 | 175.8 | -65.7 | -66 | 0 | 0 | 0 | 111.9 | A33 F43 Q49 I276 L277 L278 L283 I284 | A33-I280 HydrophobicContact CB-CD1 4.15Å; F43-I280 HydrophobicContact CE1-CD1 3.99Å; F43-I280 HydrophobicContact CZ-CD1 4.32Å; Q49-I280 HydrophobicContact CG-CD1 4.4Å; I276-I280 HydrophobicContact CG2-CG1 4.13Å; I276-I280 VanDerWaalsContact O-CG1 3.28Å; I276-I280 WeakPolarHBondContact O-CG1 3.33Å; I276-I280 PolarHBondContact O-N 3.44Å; L277-I280 PolarHBondContact O-N 3.17Å; L278-I280 VanDerWaalsContact C-N 3.31Å; L278-I280 PolarHBondContact O-N 3.37Å; I280-L283 WeakPolarHBondContact O-CB 3.07Å; I280-L283 PolarHBondContact O-N 2.91Å; I280-I284 HydrophobicContact CG2-CD1 4.13Å; I280-I284 VanDerWaalsContact O-CG1 3.3Å; I280-I284 WeakPolarHBondContact O-CG1 3.16Å; I280-I284 PolarHBondContact O-N 3.18Å |
| 281 | L | 96.9 | Very high | 96.3 | Very high | 88 Ų | 88 | 45.5 Ų | 45.5 | 46% | 0.461 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -67.5 | -40.9 | 174.2 | -71.2 | 175.8 | 0 | 0 | 0 | 111.5 | L277 L278 L283 I284 V285 | L277-L281 HydrophobicContact CD1-CD1 4.33Å; L277-L281 HydrophobicContact CD1-CD2 4.49Å; L277-L281 HydrophobicContact CD1-CG 4.08Å; L277-L281 HydrophobicContact CD2-CD1 4.23Å; L277-L281 HydrophobicContact CG-CD1 3.8Å; L277-L281 HydrophobicContact CG-CG 4.01Å; L277-L281 WeakPolarHBondContact O-CB 3.35Å; L277-L281 VanDerWaalsContact O-CG 3.25Å; L277-L281 WeakPolarHBondContact O-CG 3.42Å; L277-L281 PolarHBondContact O-N 3.1Å; L278-L281 PolarHBondContact O-N 2.79Å; L281-L283 VanDerWaalsContact C-N 3.27Å; L281-L283 PolarHBondContact O-N 2.94Å; L281-I284 PolarHBondContact O-N 2.92Å; L281-V285 WeakPolarHBondContact O-CG2 3.48Å; L281-V285 PolarHBondContact O-N 3.4Å |
| 282 | G | 96.8 | Very high | 96.5 | Very high | 24 Ų | 24 | 43.8 Ų | 43.8 | 25% | 0.247 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -57.7 | -41.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L278 P279 S286 | L278-G282 PolarHBondContact O-N 3.4Å; P279-G282 PolarHBondContact O-N 3.43Å; G282-S286 WeakPolarHBondContact O-CB 3.02Å; G282-S286 PolarHBondContact O-N 3.29Å; G282-S286 PolarHBondContact O-OG 2.98Å |
| 283 | L | 96.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.7 | -54.4 | 174.2 | 176.6 | 65.6 | 0 | 0 | 0 | 111.4 | N26 A29 A30 Q49 C52 M53 P279 I280 L281 V285 S286 I287 | N26-L283 WeakPolarHBondContact OD1-CD1 3.3Å; A29-L283 HydrophobicContact CB-CB 4.26Å; A30-L283 HydrophobicContact CB-CD1 4.19Å; Q49-L283 HydrophobicContact CB-CD2 4.3Å; C52-L283 HydrophobicContact CB-CD2 4.29Å; M53-L283 HydrophobicContact CE-CD1 4.16Å; P279-L283 VanDerWaalsContact O-CB 3.26Å; P279-L283 WeakPolarHBondContact O-CB 3.43Å; P279-L283 PolarHBondContact O-N 2.8Å; I280-L283 WeakPolarHBondContact O-CB 3.07Å; I280-L283 PolarHBondContact O-N 2.91Å; L281-L283 VanDerWaalsContact C-N 3.27Å; L281-L283 PolarHBondContact O-N 2.94Å; L283-V285 PolarHBondContact O-N 3.31Å; L283-S286 PolarHBondContact O-N 3.03Å; L283-S286 PolarHBondContact O-OG 3.32Å; L283-I287 HydrophobicContact CD1-CD1 3.47Å; L283-I287 VanDerWaalsContact CD1-CD1 3.47Å; L283-I287 HydrophobicContact CD1-CG1 4.2Å; L283-I287 HydrophobicContact CG-CD1 3.96Å; L283-I287 WeakPolarHBondContact O-CB 3.48Å; L283-I287 VanDerWaalsContact O-CG1 3.3Å; L283-I287 WeakPolarHBondContact O-CG1 3.36Å; L283-I287 PolarHBondContact O-N 3.29Å |
| 284 | I | 97.6 | Very high | 96.7 | Very high | 32 Ų | 32 | 38.5 Ų | 38.5 | 16% | 0.164 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -56.9 | -50 | -179.3 | -67.9 | 166.6 | 0 | 0 | 0 | 111 | C52 I55 G56 I280 L281 A288 | C52-I284 HydrophobicContact CB-CD1 4.27Å; C52-I284 HydrophobicContact CB-CG1 3.9Å; C52-I284 WeakPolarHBondContact O-CG1 3.2Å; I55-I284 HydrophobicContact CG2-CG2 4.39Å; G56-I284 WeakPolarHBondContact CA-O 3.48Å; I280-I284 HydrophobicContact CG2-CD1 4.13Å; I280-I284 VanDerWaalsContact O-CG1 3.3Å; I280-I284 WeakPolarHBondContact O-CG1 3.16Å; I280-I284 PolarHBondContact O-N 3.18Å; L281-I284 PolarHBondContact O-N 2.92Å; I284-A288 PolarHBondContact O-N 2.83Å |
| 285 | V | 97.6 | Very high | 96.9 | Very high | 82 Ų | 82 | 34.3 Ų | 34.3 | 50% | 0.497 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -67 | -47.5 | -177.4 | 174.1 | 0 | 0 | 0 | 0 | 111 | L281 L283 I287 A288 F289 | L281-V285 WeakPolarHBondContact O-CG2 3.48Å; L281-V285 PolarHBondContact O-N 3.4Å; L283-V285 PolarHBondContact O-N 3.31Å; V285-I287 VanDerWaalsContact C-N 3.29Å; V285-I287 PolarHBondContact O-N 3.36Å; V285-A288 WeakPolarHBondContact O-CB 3.4Å; V285-A288 PolarHBondContact O-N 3.48Å; V285-F289 HydrophobicContact CG1-CD2 4.1Å; V285-F289 HydrophobicContact CG1-CE2 3.92Å; V285-F289 VanDerWaalsContact O-CD2 3.3Å; V285-F289 WeakPolarHBondContact O-CD2 3.15Å; V285-F289 PolarHBondContact O-N 3.3Å |
| 286 | S | 97.6 | Very high | 96.9 | Very high | 3 Ų | 3 | 30 Ų | 30 | 2% | 0.021 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.2 | -35.2 | -178.4 | 59.6 | 0 | 0 | 0 | 0 | 112.6 | N26 G282 L283 F289 F290 | N26-S286 WeakPolarHBondContact CA-OG 3.26Å; N26-S286 WeakPolarHBondContact CB-OG 3.29Å; N26-S286 PolarHBondContact N-OG 3.02Å; G282-S286 WeakPolarHBondContact O-CB 3.02Å; G282-S286 PolarHBondContact O-N 3.29Å; G282-S286 PolarHBondContact O-OG 2.98Å; L283-S286 PolarHBondContact O-N 3.03Å; L283-S286 PolarHBondContact O-OG 3.32Å; S286-F289 PolarHBondContact O-N 2.67Å; S286-F290 WeakPolarHBondContact O-CB 3.25Å; S286-F290 PolarHBondContact O-N 3.46Å |
| 287 | I | 97 | Very high | 96.9 | Very high | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.01 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -66.6 | -41.5 | 177.1 | -76.5 | 178.3 | 0 | 0 | 0 | 112.6 | N26 M53 E57 L283 V285 F289 F290 N291 | N26-I287 HydrophobicContact CB-CG1 4.12Å; N26-I287 WeakPolarHBondContact ND2-CG1 3.33Å; M53-I287 HydrophobicContact CB-CD1 3.41Å; M53-I287 VanDerWaalsContact CB-CD1 3.41Å; M53-I287 HydrophobicContact CB-CG2 4.44Å; M53-I287 HydrophobicContact CE-CD1 4.31Å; M53-I287 HydrophobicContact CG-CD1 3.19Å; M53-I287 WeakPolarHBondContact O-CG2 3.36Å; M53-I287 HydrophobicContact SD-CD1 3.66Å; E57-I287 HydrophobicContact CG-CG2 3.84Å; L283-I287 HydrophobicContact CD1-CD1 3.47Å; L283-I287 VanDerWaalsContact CD1-CD1 3.47Å; L283-I287 HydrophobicContact CD1-CG1 4.2Å; L283-I287 HydrophobicContact CG-CD1 3.96Å; L283-I287 WeakPolarHBondContact O-CB 3.48Å; L283-I287 VanDerWaalsContact O-CG1 3.3Å; L283-I287 WeakPolarHBondContact O-CG1 3.36Å; L283-I287 PolarHBondContact O-N 3.29Å; V285-I287 VanDerWaalsContact C-N 3.29Å; V285-I287 PolarHBondContact O-N 3.36Å; I287-F289 VanDerWaalsContact C-N 3.3Å; I287-F289 PolarHBondContact O-N 2.93Å; I287-F290 PolarHBondContact O-N 3.32Å; I287-N291 WeakPolarHBondContact CG2-ND2 3.39Å; I287-N291 PolarHBondContact O-N 2.84Å |
| 288 | A | 97.6 | Very high | 97 | Very high | 11 Ų | 11 | 26.3 Ų | 26.3 | 9% | 0.091 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -55.2 | -47.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | G56 I284 V285 F292 | G56-A288 VanDerWaalsContact O-CB 3.29Å; G56-A288 WeakPolarHBondContact O-CB 3.21Å; I284-A288 PolarHBondContact O-N 2.83Å; V285-A288 WeakPolarHBondContact O-CB 3.4Å; V285-A288 PolarHBondContact O-N 3.48Å; A288-F292 VanDerWaalsContact O-CB 3.28Å; A288-F292 WeakPolarHBondContact O-CB 3.23Å; A288-F292 PolarHBondContact O-N 3.34Å; A288-F292 VanDerWaalsContact O-N 3.17Å |
| 289 | F | 97.9 | Very high | 96.9 | Very high | 106 Ų | 106 | 23.5 Ų | 23.5 | 47% | 0.465 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -71.5 | -38.9 | 177.5 | -72.9 | -79.1 | 0 | 0 | 0 | 113.2 | L18 T22 V285 S286 I287 A293 | L18-F289 HydrophobicContact CD1-CB 4.38Å; L18-F289 HydrophobicContact CD1-CD1 4.34Å; L18-F289 HydrophobicContact CD2-CD1 4.45Å; T22-F289 HydrophobicContact CG2-CB 3.69Å; V285-F289 HydrophobicContact CG1-CD2 4.1Å; V285-F289 HydrophobicContact CG1-CE2 3.92Å; V285-F289 VanDerWaalsContact O-CD2 3.3Å; V285-F289 WeakPolarHBondContact O-CD2 3.15Å; V285-F289 PolarHBondContact O-N 3.3Å; S286-F289 PolarHBondContact O-N 2.67Å; I287-F289 VanDerWaalsContact C-N 3.3Å; I287-F289 PolarHBondContact O-N 2.93Å; F289-A293 VanDerWaalsContact O-CB 3.24Å; F289-A293 WeakPolarHBondContact O-CB 3.39Å; F289-A293 PolarHBondContact O-N 3.01Å |
| 290 | F | 97.5 | Very high | 96.7 | Very high | 21 Ų | 21 | 27.4 Ų | 27.4 | 9% | 0.092 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.3 | -50.4 | 179.7 | 169.9 | -108.6 | 0 | 0 | 0 | 111.6 | M19 T22 S286 I287 A293 G294 D310 | M19-F290 HydrophobicContact CE-CE2 3.91Å; M19-F290 HydrophobicContact CE-CZ 4.31Å; M19-F290 HydrophobicContact CG-CD2 4Å; M19-F290 HydrophobicContact CG-CE2 3.88Å; M19-F290 WeakPolarHBondContact O-CD2 3.4Å; T22-F290 VanDerWaalsContact OG1-CA 3.25Å; T22-F290 WeakPolarHBondContact OG1-CA 3.5Å; T22-F290 PolarHBondContact OG1-N 3.31Å; S286-F290 WeakPolarHBondContact O-CB 3.25Å; S286-F290 PolarHBondContact O-N 3.46Å; I287-F290 PolarHBondContact O-N 3.32Å; F290-A293 PolarHBondContact O-N 3.12Å; F290-G294 PolarHBondContact O-N 2.9Å; F290-D310 WeakPolarHBondContact CZ-OD1 3.28Å |
| 291 | N | 96.8 | Very high | 96.5 | Very high | 16 Ų | 16 | 28.1 Ų | 28.1 | 9% | 0.086 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -71.6 | -38.2 | -179.1 | -78.3 | -38.8 | 0 | 0 | 0 | 112.1 | E57 V225 I287 A293 G294 I295 | E57-N291 HydrophobicContact CG-CB 4.31Å; E57-N291 WeakPolarHBondContact CG-ND2 3.5Å; E57-N291 PolarHBondContact OE1-ND2 3.4Å; V225-N291 HydrophobicContact CB-CB 4.47Å; V225-N291 HydrophobicContact CG1-CB 3.63Å; V225-N291 HydrophobicContact CG2-CB 3.94Å; V225-N291 WeakPolarHBondContact CG2-O 3.41Å; I287-N291 WeakPolarHBondContact CG2-ND2 3.39Å; I287-N291 PolarHBondContact O-N 2.84Å; N291-A293 VanDerWaalsContact C-N 3.33Å; N291-A293 PolarHBondContact O-N 3.4Å; N291-G294 PolarHBondContact O-N 3.14Å; N291-I295 PolarHBondContact O-N 3.27Å |
| 292 | F | 97.8 | Very high | 96.3 | Very high | 52 Ų | 52 | 24.2 Ų | 24.2 | 23% | 0.228 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -56.4 | -48.9 | 171.4 | 167.4 | -103.8 | 0 | 0 | 0 | 111.4 | L15 L18 P221 L222 A288 S296 | L15-F292 HydrophobicContact CD2-CE1 4.42Å; L18-F292 HydrophobicContact CD2-CD1 4.4Å; P221-F292 HydrophobicContact CB-CD2 4.06Å; P221-F292 HydrophobicContact CB-CE2 4.08Å; L222-F292 HydrophobicContact CB-CD2 4.17Å; L222-F292 HydrophobicContact CB-CE2 4.37Å; L222-F292 HydrophobicContact CD1-CD2 3.83Å; L222-F292 HydrophobicContact CD1-CE2 4.48Å; L222-F292 HydrophobicContact CD1-CG 4.36Å; A288-F292 VanDerWaalsContact O-CB 3.28Å; A288-F292 WeakPolarHBondContact O-CB 3.23Å; A288-F292 PolarHBondContact O-N 3.34Å; A288-F292 VanDerWaalsContact O-N 3.17Å; F292-S296 VanDerWaalsContact O-CB 3.28Å; F292-S296 WeakPolarHBondContact O-CB 3.29Å; F292-S296 PolarHBondContact O-N 3.09Å; F292-S296 PolarHBondContact O-OG 3.16Å |
| 293 | A | 97.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -64.9 | -40.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L18 M19 F289 F290 N291 S296 V297 | L18-A293 HydrophobicContact CB-CB 4.22Å; L18-A293 HydrophobicContact CD2-CB 4.01Å; L18-A293 HydrophobicContact CG-CB 4.01Å; M19-A293 HydrophobicContact CB-CB 3.74Å; F289-A293 VanDerWaalsContact O-CB 3.24Å; F289-A293 WeakPolarHBondContact O-CB 3.39Å; F289-A293 PolarHBondContact O-N 3.01Å; F290-A293 PolarHBondContact O-N 3.12Å; N291-A293 VanDerWaalsContact C-N 3.33Å; N291-A293 PolarHBondContact O-N 3.4Å; A293-S296 PolarHBondContact O-N 3.42Å; A293-V297 WeakPolarHBondContact O-CG2 3.34Å; A293-V297 PolarHBondContact O-N 2.87Å |
| 294 | G | 97 | Very high | 95.8 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -60.6 | -50.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | F290 N291 S296 V297 T298 R306 | F290-G294 PolarHBondContact O-N 2.9Å; N291-G294 PolarHBondContact O-N 3.14Å; G294-S296 VanDerWaalsContact C-N 3.31Å; G294-S296 PolarHBondContact O-N 3.44Å; G294-V297 PolarHBondContact O-N 3.43Å; G294-T298 PolarHBondContact O-N 3.49Å; G294-T298 PolarHBondContact O-OG1 2.9Å; G294-R306 WeakPolarHBondContact O-CD 3.34Å |
| 295 | I | 97.3 | Very high | 95.4 | Very high | 1 Ų | 1 | 21.7 Ų | 21.7 | 1% | 0.005 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -65 | -38.3 | 175.6 | -61.7 | -65.5 | 0 | 0 | 0 | 110.7 | E210 V214 P221 V224 V225 N291 T298 K299 | E210-I295 WeakPolarHBondContact OE2-CD1 3.5Å; V214-I295 HydrophobicContact CG1-CG2 4.37Å; V214-I295 HydrophobicContact CG2-CG2 4.32Å; P221-I295 HydrophobicContact CB-CB 4.05Å; P221-I295 HydrophobicContact CB-CG2 3.74Å; P221-I295 HydrophobicContact CG-CG2 4.26Å; V224-I295 HydrophobicContact CB-CG2 4.13Å; V224-I295 HydrophobicContact CG1-CD1 4.01Å; V224-I295 HydrophobicContact CG1-CG1 4.21Å; V224-I295 HydrophobicContact CG1-CG2 4.21Å; V224-I295 HydrophobicContact CG2-CG2 4.27Å; V225-I295 HydrophobicContact CG2-CB 4.24Å; V225-I295 HydrophobicContact CG2-CG1 3.6Å; N291-I295 PolarHBondContact O-N 3.27Å; I295-T298 WeakPolarHBondContact O-CB 3.42Å; I295-T298 PolarHBondContact O-N 3.08Å; I295-K299 WeakPolarHBondContact O-CB 3.3Å; I295-K299 PolarHBondContact O-N 3.36Å |
| 296 | S | 97.2 | Very high | 95.2 | Very high | 1 Ų | 1 | 18.2 Ų | 18.2 | 1% | 0.007 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -62.8 | -43.5 | 176.6 | -57.6 | 0 | 0 | 0 | 0 | 112 | P221 F292 A293 G294 T298 K299 E300 | P221-S296 VanDerWaalsContact CB-OG 3.31Å; P221-S296 WeakPolarHBondContact CB-OG 3.43Å; P221-S296 WeakPolarHBondContact CG-OG 3.42Å; F292-S296 VanDerWaalsContact O-CB 3.28Å; F292-S296 WeakPolarHBondContact O-CB 3.29Å; F292-S296 PolarHBondContact O-N 3.09Å; F292-S296 PolarHBondContact O-OG 3.16Å; A293-S296 PolarHBondContact O-N 3.42Å; G294-S296 VanDerWaalsContact C-N 3.31Å; G294-S296 PolarHBondContact O-N 3.44Å; S296-T298 VanDerWaalsContact C-N 3.33Å; S296-T298 PolarHBondContact O-N 2.86Å; S296-K299 PolarHBondContact O-N 3.03Å; S296-E300 WeakPolarHBondContact O-CB 3.49Å; S296-E300 VanDerWaalsContact O-CG 3.26Å; S296-E300 WeakPolarHBondContact O-CG 3.37Å; S296-E300 PolarHBondContact O-N 2.98Å |
| 297 | V | 95.6 | Very high | 94.9 | Very high | 1 Ų | 1 | 18.5 Ų | 18.5 | 1% | 0.006 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -60.5 | -43.3 | 173 | 167.1 | 0 | 0 | 0 | 0 | 111.1 | L15 M19 A293 G294 K299 E300 I301 D302 T305 R306 L309 | L15-V297 HydrophobicContact CB-CG2 3.96Å; M19-V297 HydrophobicContact SD-CG2 4.39Å; A293-V297 WeakPolarHBondContact O-CG2 3.34Å; A293-V297 PolarHBondContact O-N 2.87Å; G294-V297 PolarHBondContact O-N 3.43Å; V297-K299 VanDerWaalsContact C-N 3.26Å; V297-K299 PolarHBondContact O-N 3.03Å; V297-E300 PolarHBondContact O-N 3.34Å; V297-I301 HydrophobicContact CG1-CD1 4.49Å; V297-I301 WeakPolarHBondContact O-CA 3.22Å; V297-I301 WeakPolarHBondContact O-CB 3.37Å; V297-I301 PolarHBondContact O-N 2.61Å; V297-D302 PolarHBondContact O-N 3.34Å; V297-T305 HydrophobicContact CG1-CG2 4.17Å; V297-R306 HydrophobicContact CG1-CB 4.11Å; V297-L309 HydrophobicContact CG1-CD1 3.91Å; V297-L309 HydrophobicContact CG2-CD1 4.03Å |
| 298 | T | 95.6 | Very high | 94.4 | Very high | 2 Ų | 2 | 18.5 Ų | 18.5 | 1% | 0.012 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -61.3 | -39.2 | 179.2 | -57.8 | 0 | 0 | 0 | 0 | 111.7 | Q211 G294 I295 S296 A303 R306 | Q211-T298 HydrophobicContact CB-CG2 3.51Å; Q211-T298 HydrophobicContact CG-CG2 3.77Å; G294-T298 PolarHBondContact O-N 3.49Å; G294-T298 PolarHBondContact O-OG1 2.9Å; I295-T298 WeakPolarHBondContact O-CB 3.42Å; I295-T298 PolarHBondContact O-N 3.08Å; S296-T298 VanDerWaalsContact C-N 3.33Å; S296-T298 PolarHBondContact O-N 2.86Å; T298-A303 HydrophobicContact CG2-CB 4.1Å; T298-R306 WeakPolarHBondContact OG1-CD 3.19Å |
| 299 | K | 94.9 | Very high | 94 | Very high | 40 Ų | 40 | 18.4 Ų | 18.4 | 17% | 0.174 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -73.5 | -44.8 | 179.5 | -173 | 175.9 | -177 | 174 | 0 | 112.6 | V214 N218 V219 P221 I295 S296 V297 | V214-K299 HydrophobicContact CG1-CB 4Å; V214-K299 HydrophobicContact CG1-CD 3.85Å; V214-K299 HydrophobicContact CG1-CG 3.96Å; N218-K299 PolarHBondContact O-NZ 2.94Å; N218-K299 WeakPolarHBondContact OD1-CE 3.33Å; N218-K299 PolarHBondContact OD1-NZ 3.47Å; V219-K299 PolarHBondContact O-NZ 3.33Å; P221-K299 HydrophobicContact CG-CD 4.11Å; I295-K299 WeakPolarHBondContact O-CB 3.3Å; I295-K299 PolarHBondContact O-N 3.36Å; S296-K299 PolarHBondContact O-N 3.03Å; V297-K299 VanDerWaalsContact C-N 3.26Å; V297-K299 PolarHBondContact O-N 3.03Å |
| 300 | E | 92.5 | Very high | 93.5 | Very high | 83 Ų | 83 | 14.3 Ų | 14.3 | 39% | 0.388 | 7% | 0.068 | S | C | . | . | H | α-helix | trans | -83.5 | -23.1 | -175.1 | -65.9 | -62.4 | 139.3 | 0 | 0 | 113.7 | Y11 Q12 L15 S296 V297 | Y11-E300 HydrophobicContact CD1-CG 4.48Å; Y11-E300 HydrophobicContact CE1-CG 3.95Å; Q12-E300 HydrophobicContact CG-CB 4.27Å; Q12-E300 PolarHBondContact NE2-O 3.33Å; Q12-E300 VanDerWaalsContact NE2-O 3.15Å; L15-E300 HydrophobicContact CD1-CG 4.12Å; S296-E300 WeakPolarHBondContact O-CB 3.49Å; S296-E300 VanDerWaalsContact O-CG 3.26Å; S296-E300 WeakPolarHBondContact O-CG 3.37Å; S296-E300 PolarHBondContact O-N 2.98Å; V297-E300 PolarHBondContact O-N 3.34Å |
| 301 | I | 91.2 | Very high | 92.8 | Very high | 25 Ų | 25 | 13.9 Ų | 13.9 | 13% | 0.128 | 7% | 0.068 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125.2 | -86.3 | -178 | -50.1 | 178.7 | 0 | 0 | 0 | 110.3 | W8 Q12 V297 T305 | W8-I301 HydrophobicContact CD2-CD1 4.23Å; W8-I301 HydrophobicContact CE3-CD1 4.5Å; W8-I301 HydrophobicContact CH2-CD1 4.18Å; W8-I301 HydrophobicContact CZ2-CD1 3.92Å; W8-I301 HydrophobicContact CZ3-CD1 4.5Å; Q12-I301 HydrophobicContact CB-CD1 4.19Å; Q12-I301 HydrophobicContact CG-CD1 4.18Å; Q12-I301 HydrophobicContact CG-CG1 4.09Å; V297-I301 HydrophobicContact CG1-CD1 4.49Å; V297-I301 WeakPolarHBondContact O-CA 3.22Å; V297-I301 WeakPolarHBondContact O-CB 3.37Å; V297-I301 PolarHBondContact O-N 2.61Å; I301-T305 HydrophobicContact CB-CG2 4.34Å; I301-T305 HydrophobicContact CD1-CG2 4.07Å; I301-T305 HydrophobicContact CG2-CG2 3.89Å |
| 302 | D | 92.2 | Very high | 92.1 | Very high | 7 Ų | 7 | 15.3 Ų | 15.3 | 4% | 0.037 | 8% | 0.077 | C | C | . | . | trans | -177.3 | 165.5 | 175 | 56.7 | 37.4 | 0 | 0 | 0 | 111 | M149 K155 V297 P304 T305 R306 | M149-D302 HydrophobicContact CE-CB 3.56Å; M149-D302 WeakPolarHBondContact CE-OD2 3.3Å; M149-D302 HydrophobicContact SD-CB 4.27Å; K155-D302 IonicContact NZ-OD2 3.67Å; K155-D302 PolarHBondContact NZ-OD2 3.41Å; V297-D302 PolarHBondContact O-N 3.34Å; D302-P304 WeakPolarHBondContact OD1-CD 3.35Å; D302-T305 PolarHBondContact O-N 3.32Å; D302-T305 WeakPolarHBondContact OD1-CB 3.22Å; D302-T305 PolarHBondContact OD1-N 2.92Å; D302-T305 PolarHBondContact OD1-OG1 3.48Å; D302-R306 PolarHBondContact O-N 2.79Å | ||
| 303 | A | 94.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -64.4 | -40.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | T139 M207 Q211 T298 T305 R306 M307 | T139-A303 HydrophobicContact CG2-CB 3.8Å; M207-A303 HydrophobicContact CB-CB 4.14Å; Q211-A303 HydrophobicContact CB-CB 4.23Å; T298-A303 HydrophobicContact CG2-CB 4.1Å; A303-T305 VanDerWaalsContact C-N 3.32Å; A303-T305 PolarHBondContact O-N 3.03Å; A303-R306 WeakPolarHBondContact O-CB 3.44Å; A303-R306 PolarHBondContact O-N 3Å; A303-R306 VanDerWaalsContact O-N 3.12Å; A303-M307 PolarHBondContact O-N 3.42Å |
| 304 | P | 90.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -60.3 | -39 | 176 | -26.3 | 35.6 | 0 | 0 | 0 | 113.2 | T139 S143 D302 R306 M307 V308 Y366 | T139-P304 HydrophobicContact CG2-CG 4.06Å; S143-P304 WeakPolarHBondContact OG-CD 3.33Å; S143-P304 WeakPolarHBondContact OG-CG 2.92Å; D302-P304 WeakPolarHBondContact OD1-CD 3.35Å; P304-R306 VanDerWaalsContact C-N 3.34Å; P304-R306 PolarHBondContact O-N 3.28Å; P304-M307 PolarHBondContact O-N 3.35Å; P304-M307 VanDerWaalsContact O-N 3.16Å; P304-V308 WeakPolarHBondContact O-CG2 3.15Å; P304-V308 PolarHBondContact O-N 3.3Å; P304-Y366 HydrophobicContact CB-CE1 3.78Å; P304-Y366 WeakPolarHBondContact CB-OH 3.43Å |
| 305 | T | 88.1 | Confident | 89.6 | Confident | 3 Ų | 3 | 19 Ų | 19 | 2% | 0.018 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -63.9 | -38.3 | 174.1 | -73.7 | 0 | 0 | 0 | 0 | 111.5 | W8 V297 I301 D302 A303 M307 V308 L309 | W8-T305 HydrophobicContact CH2-CG2 3.98Å; W8-T305 HydrophobicContact CZ2-CG2 3.85Å; V297-T305 HydrophobicContact CG1-CG2 4.17Å; I301-T305 HydrophobicContact CB-CG2 4.34Å; I301-T305 HydrophobicContact CD1-CG2 4.07Å; I301-T305 HydrophobicContact CG2-CG2 3.89Å; D302-T305 PolarHBondContact O-N 3.32Å; D302-T305 WeakPolarHBondContact OD1-CB 3.22Å; D302-T305 PolarHBondContact OD1-N 2.92Å; D302-T305 PolarHBondContact OD1-OG1 3.48Å; A303-T305 VanDerWaalsContact C-N 3.32Å; A303-T305 PolarHBondContact O-N 3.03Å; T305-M307 VanDerWaalsContact C-N 3.3Å; T305-M307 PolarHBondContact O-N 2.92Å; T305-V308 PolarHBondContact O-N 2.67Å; T305-L309 HydrophobicContact CG2-CD1 4.33Å; T305-L309 HydrophobicContact CG2-CG 4.48Å; T305-L309 WeakPolarHBondContact O-CG 3.34Å; T305-L309 PolarHBondContact O-N 3.05Å |
| 306 | R | 92.9 | Very high | 88.9 | Confident | 9 Ų | 9 | 23.3 Ų | 23.3 | 3% | 0.034 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -55.4 | -45.8 | 170.4 | -179.4 | -173.5 | 171.1 | -179.9 | 2.1 | 110.8 | M19 M207 E210 G294 V297 T298 D302 A303 P304 V308 L309 D310 | M19-R306 HydrophobicContact CE-CG 3.6Å; M19-R306 WeakPolarHBondContact CE-O 3.1Å; M19-R306 HydrophobicContact SD-CG 4.08Å; M207-R306 PolarHBondContact SD-NE 2.94Å; M207-R306 VanDerWaalsContact SD-NE 3.43Å; M207-R306 PolarHBondContact SD-NH1 2.99Å; E210-R306 IonicContact OE2-CZ 2.74Å; E210-R306 IonicContact OE2-NH1 3.95Å; E210-R306 PolarHBondContact OE2-NH1 3.15Å; G294-R306 WeakPolarHBondContact O-CD 3.34Å; V297-R306 HydrophobicContact CG1-CB 4.11Å; T298-R306 WeakPolarHBondContact OG1-CD 3.19Å; D302-R306 PolarHBondContact O-N 2.79Å; A303-R306 WeakPolarHBondContact O-CB 3.44Å; A303-R306 PolarHBondContact O-N 3Å; A303-R306 VanDerWaalsContact O-N 3.12Å; P304-R306 VanDerWaalsContact C-N 3.34Å; P304-R306 PolarHBondContact O-N 3.28Å; R306-V308 PolarHBondContact O-N 3.3Å; R306-L309 PolarHBondContact O-N 3.46Å; R306-D310 PolarHBondContact O-N 3.36Å |
| 307 | M | 91.9 | Very high | 88.1 | Confident | 8 Ų | 8 | 24 Ų | 24 | 4% | 0.039 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -67.6 | -33.9 | -179.5 | -64 | -59.3 | 91.6 | 0 | 0 | 113.8 | T135 I136 T139 I203 M207 A303 P304 T305 D310 S311 | T135-M307 HydrophobicContact CG2-CG 3.94Å; T135-M307 HydrophobicContact CG2-SD 3.43Å; T135-M307 WeakPolarHBondContact CG2-SD 3.26Å; I136-M307 HydrophobicContact CG1-CB 3.78Å; T139-M307 HydrophobicContact CG2-CG 4.07Å; I203-M307 HydrophobicContact CG2-SD 4.36Å; M207-M307 HydrophobicContact CE-CE 3.37Å; M207-M307 HydrophobicContact CE-SD 4.05Å; M207-M307 HydrophobicContact CG-CE 3.91Å; M207-M307 HydrophobicContact CG-SD 3.88Å; M207-M307 HydrophobicContact SD-CE 3.36Å; M207-M307 WeakPolarHBondContact SD-CE 3.35Å; M207-M307 HydrophobicContact SD-SD 4.14Å; A303-M307 PolarHBondContact O-N 3.42Å; P304-M307 PolarHBondContact O-N 3.35Å; P304-M307 VanDerWaalsContact O-N 3.16Å; T305-M307 VanDerWaalsContact C-N 3.3Å; T305-M307 PolarHBondContact O-N 2.92Å; M307-D310 HydrophobicContact CE-CB 4.47Å; M307-D310 PolarHBondContact O-N 3.43Å; M307-S311 PolarHBondContact O-N 3.4Å; M307-S311 PolarHBondContact O-OG 2.86Å |
| 308 | V | 86 | Confident | 87.1 | Confident | 2 Ų | 2 | 28.4 Ų | 28.4 | 1% | 0.012 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -67 | -45.4 | 172.6 | 176.8 | 0 | 0 | 0 | 0 | 111 | I136 P304 T305 R306 D310 S311 V312 M363 Y366 N367 | I136-V308 HydrophobicContact CD1-CB 4.5Å; I136-V308 HydrophobicContact CD1-CG2 3.9Å; I136-V308 HydrophobicContact CG1-CG2 4.25Å; I136-V308 HydrophobicContact CG2-CG2 4.13Å; P304-V308 WeakPolarHBondContact O-CG2 3.15Å; P304-V308 PolarHBondContact O-N 3.3Å; T305-V308 PolarHBondContact O-N 2.67Å; R306-V308 PolarHBondContact O-N 3.3Å; V308-D310 VanDerWaalsContact C-N 3.28Å; V308-D310 PolarHBondContact O-N 3.45Å; V308-S311 WeakPolarHBondContact O-CB 3.32Å; V308-S311 PolarHBondContact O-N 3.07Å; V308-V312 WeakPolarHBondContact O-CG2 3.16Å; V308-V312 PolarHBondContact O-N 3.34Å; V308-M363 HydrophobicContact CG1-CB 4.31Å; V308-Y366 HydrophobicContact CG2-CD1 3.58Å; V308-Y366 HydrophobicContact CG2-CE1 4.2Å; V308-Y366 HydrophobicContact CG2-CG 4.12Å; V308-N367 HydrophobicContact CG1-CB 3.94Å; V308-N367 VanDerWaalsContact CG1-ND2 3.32Å; V308-N367 WeakPolarHBondContact CG1-ND2 3.4Å |
| 309 | L | 89.4 | Confident | 86.1 | Confident | 9 Ų | 9 | 29.6 Ų | 29.6 | 5% | 0.047 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62 | -37.8 | 175.6 | -68.9 | 176.3 | 0 | 0 | 0 | 111.8 | W8 A16 M19 V20 V297 T305 R306 S311 V312 R313 I369 | W8-L309 HydrophobicContact CH2-CD1 4.45Å; W8-L309 HydrophobicContact CH2-CD2 4.29Å; A16-L309 HydrophobicContact CB-CD1 3.57Å; A16-L309 HydrophobicContact CB-CD2 3.95Å; A16-L309 HydrophobicContact CB-CG 4.44Å; M19-L309 HydrophobicContact CE-CB 4.31Å; M19-L309 HydrophobicContact SD-CB 3.94Å; M19-L309 HydrophobicContact SD-CD1 4.22Å; V20-L309 HydrophobicContact CG2-CB 4.27Å; V20-L309 HydrophobicContact CG2-CD2 4.24Å; V297-L309 HydrophobicContact CG1-CD1 3.91Å; V297-L309 HydrophobicContact CG2-CD1 4.03Å; T305-L309 HydrophobicContact CG2-CD1 4.33Å; T305-L309 HydrophobicContact CG2-CG 4.48Å; T305-L309 WeakPolarHBondContact O-CG 3.34Å; T305-L309 PolarHBondContact O-N 3.05Å; R306-L309 PolarHBondContact O-N 3.46Å; L309-S311 PolarHBondContact O-N 2.89Å; L309-V312 WeakPolarHBondContact O-CB 3.45Å; L309-V312 PolarHBondContact O-N 3.25Å; L309-R313 PolarHBondContact O-N 2.82Å; L309-I369 HydrophobicContact CD2-CD1 4.49Å |
| 310 | D | 87.8 | Confident | 85.4 | Confident | 21 Ų | 21 | 30.3 Ų | 30.3 | 11% | 0.112 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.6 | -35.7 | 173.5 | -162.8 | 58.7 | 0 | 0 | 0 | 111.7 | M19 R132 F290 R306 M307 V308 R313 | M19-D310 HydrophobicContact CE-CB 4Å; R132-D310 IonicContact NH2-OD2 2.81Å; R132-D310 PolarHBondContact NH2-OD2 3.49Å; F290-D310 WeakPolarHBondContact CZ-OD1 3.28Å; R306-D310 PolarHBondContact O-N 3.36Å; M307-D310 HydrophobicContact CE-CB 4.47Å; M307-D310 PolarHBondContact O-N 3.43Å; V308-D310 VanDerWaalsContact C-N 3.28Å; V308-D310 PolarHBondContact O-N 3.45Å; D310-R313 VanDerWaalsContact CG-NH2 3.29Å; D310-R313 WeakPolarHBondContact O-CD 3.48Å; D310-R313 WeakPolarHBondContact O-CG 3.46Å; D310-R313 PolarHBondContact O-N 2.99Å; D310-R313 PolarHBondContact O-NE 3.48Å; D310-R313 WeakPolarHBondContact OD1-CD 3.17Å; D310-R313 IonicContact OD1-CZ 2.74Å; D310-R313 IonicContact OD1-NE 3.49Å; D310-R313 PolarHBondContact OD1-NE 2.78Å; D310-R313 IonicContact OD1-NH2 2.96Å; D310-R313 PolarHBondContact OD1-NH2 3.39Å; D310-R313 IonicContact OD2-CZ 2.63Å; D310-R313 IonicContact OD2-NE 3.85Å; D310-R313 PolarHBondContact OD2-NE 2.87Å; D310-R313 IonicContact OD2-NH2 2.9Å; D310-R313 PolarHBondContact OD2-NH2 2.95Å |
| 311 | S | 82.1 | Confident | 84.5 | Confident | 12 Ų | 12 | 26.5 Ų | 26.5 | 8% | 0.084 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -74.1 | -32.1 | 177.3 | -56.7 | 0 | 0 | 0 | 0 | 112.7 | I136 M307 V308 L309 R313 V314 M363 | I136-S311 WeakPolarHBondContact CD1-OG 3.33Å; M307-S311 PolarHBondContact O-N 3.4Å; M307-S311 PolarHBondContact O-OG 2.86Å; V308-S311 WeakPolarHBondContact O-CB 3.32Å; V308-S311 PolarHBondContact O-N 3.07Å; L309-S311 PolarHBondContact O-N 2.89Å; S311-R313 PolarHBondContact O-N 3.33Å; S311-V314 WeakPolarHBondContact O-CB 3.46Å; S311-V314 PolarHBondContact O-N 3.43Å; S311-V314 VanDerWaalsContact O-N 3.16Å; S311-M363 WeakPolarHBondContact CB-SD 3.25Å |
| 312 | V | 83.2 | Confident | 83.5 | Confident | 46 Ų | 46 | 27.5 Ų | 27.5 | 28% | 0.279 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -60.7 | -34.8 | 174.7 | 171.2 | 0 | 0 | 0 | 0 | 111.5 | V20 V308 L309 V314 F315 F316 | V20-V312 HydrophobicContact CG1-CG1 4.12Å; V20-V312 HydrophobicContact CG2-CB 4.41Å; V20-V312 HydrophobicContact CG2-CG1 4.3Å; V308-V312 WeakPolarHBondContact O-CG2 3.16Å; V308-V312 PolarHBondContact O-N 3.34Å; L309-V312 WeakPolarHBondContact O-CB 3.45Å; L309-V312 PolarHBondContact O-N 3.25Å; V312-V314 PolarHBondContact O-N 3.38Å; V312-F315 WeakPolarHBondContact O-CB 3.34Å; V312-F315 PolarHBondContact O-N 3.19Å; V312-F316 HydrophobicContact CG1-CD2 4.32Å; V312-F316 HydrophobicContact CG1-CE2 3.84Å |
| 313 | R | 84.1 | Confident | 82.8 | Confident | 20 Ų | 20 | 34.6 Ų | 34.6 | 8% | 0.075 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.9 | -29.7 | 178.4 | 95.7 | -166.1 | 157.1 | 137.9 | -38.7 | 112.6 | V20 T27 L309 D310 S311 F315 F316 I317 | V20-R313 HydrophobicContact CG1-CB 4.39Å; T27-R313 PolarHBondContact OG1-NH1 3.05Å; L309-R313 PolarHBondContact O-N 2.82Å; D310-R313 VanDerWaalsContact CG-NH2 3.29Å; D310-R313 WeakPolarHBondContact O-CD 3.48Å; D310-R313 WeakPolarHBondContact O-CG 3.46Å; D310-R313 PolarHBondContact O-N 2.99Å; D310-R313 PolarHBondContact O-NE 3.48Å; D310-R313 WeakPolarHBondContact OD1-CD 3.17Å; D310-R313 IonicContact OD1-CZ 2.74Å; D310-R313 IonicContact OD1-NE 3.49Å; D310-R313 PolarHBondContact OD1-NE 2.78Å; D310-R313 IonicContact OD1-NH2 2.96Å; D310-R313 PolarHBondContact OD1-NH2 3.39Å; D310-R313 IonicContact OD2-CZ 2.63Å; D310-R313 IonicContact OD2-NE 3.85Å; D310-R313 PolarHBondContact OD2-NE 2.87Å; D310-R313 IonicContact OD2-NH2 2.9Å; D310-R313 PolarHBondContact OD2-NH2 2.95Å; S311-R313 PolarHBondContact O-N 3.33Å; R313-F315 VanDerWaalsContact C-N 3.27Å; R313-F315 PolarHBondContact O-N 3.23Å; R313-F316 PolarHBondContact O-N 3.39Å; R313-F316 VanDerWaalsContact O-N 3.09Å; R313-I317 HydrophobicContact CG-CD1 3.78Å; R313-I317 WeakPolarHBondContact O-CG1 3.16Å; R313-I317 PolarHBondContact O-N 3.41Å |
| 314 | V | 78.6 | Confident | 81.9 | Confident | 18 Ų | 18 | 36.9 Ų | 36.9 | 11% | 0.109 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.2 | -39.6 | -178.7 | 179.9 | 0 | 0 | 0 | 0 | 110.7 | Q129 S311 V312 F316 I317 W318 F356 | Q129-V314 HydrophobicContact CB-CG1 4.43Å; S311-V314 WeakPolarHBondContact O-CB 3.46Å; S311-V314 PolarHBondContact O-N 3.43Å; S311-V314 VanDerWaalsContact O-N 3.16Å; V312-V314 PolarHBondContact O-N 3.38Å; V314-F316 VanDerWaalsContact C-N 3.33Å; V314-F316 PolarHBondContact O-N 2.75Å; V314-I317 PolarHBondContact O-N 3.41Å; V314-W318 WeakPolarHBondContact O-CB 3.02Å; V314-W318 PolarHBondContact O-N 2.69Å; V314-F356 HydrophobicContact CG1-CE2 4.4Å |
| 315 | F | 77.4 | Confident | 80.9 | Confident | 92 Ų | 92 | 39.1 Ų | 39.1 | 40% | 0.404 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -58.1 | -45.1 | 174.5 | 171.8 | -96.2 | 0 | 0 | 0 | 111.9 | V312 R313 W318 A319 | V312-F315 WeakPolarHBondContact O-CB 3.34Å; V312-F315 PolarHBondContact O-N 3.19Å; R313-F315 VanDerWaalsContact C-N 3.27Å; R313-F315 PolarHBondContact O-N 3.23Å; F315-W318 HydrophobicContact CE2-CZ3 4.41Å; F315-W318 PolarHBondContact O-N 3.38Å; F315-A319 WeakPolarHBondContact O-CB 3.42Å; F315-A319 PolarHBondContact O-N 2.85Å |
| 316 | F | 82.7 | Confident | 79.8 | Confident | 91 Ų | 91 | 42.6 Ų | 42.6 | 40% | 0.399 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -70 | -39.1 | 179.4 | -68.8 | -75.2 | 0 | 0 | 0 | 112.5 | V20 T24 V312 R313 V314 W318 A319 V320 | V20-F316 HydrophobicContact CG1-CD2 3.64Å; V20-F316 HydrophobicContact CG1-CE2 3.7Å; T24-F316 HydrophobicContact CG2-CB 3.79Å; V312-F316 HydrophobicContact CG1-CD2 4.32Å; V312-F316 HydrophobicContact CG1-CE2 3.84Å; R313-F316 PolarHBondContact O-N 3.39Å; R313-F316 VanDerWaalsContact O-N 3.09Å; V314-F316 VanDerWaalsContact C-N 3.33Å; V314-F316 PolarHBondContact O-N 2.75Å; F316-W318 VanDerWaalsContact C-N 3.29Å; F316-W318 PolarHBondContact O-N 3.45Å; F316-A319 PolarHBondContact O-N 3.04Å; F316-V320 WeakPolarHBondContact O-CB 3.3Å; F316-V320 WeakPolarHBondContact O-CG2 3.47Å; F316-V320 PolarHBondContact O-N 2.86Å |
| 317 | I | 79.6 | Confident | 77.8 | Confident | 16 Ų | 16 | 45.3 Ų | 45.3 | 8% | 0.082 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60 | -43.2 | 174.5 | -65.2 | 160.6 | 0 | 0 | 0 | 110.5 | T24 T27 L28 R313 V314 S321 | T24-I317 HydrophobicContact CG2-CG1 4.02Å; T27-I317 HydrophobicContact CG2-CD1 3.68Å; T27-I317 HydrophobicContact CG2-CG1 4.31Å; T27-I317 HydrophobicContact CG2-CG2 4.25Å; T27-I317 WeakPolarHBondContact OG1-CD1 3.45Å; L28-I317 HydrophobicContact CD2-CG2 4.43Å; R313-I317 HydrophobicContact CG-CD1 3.78Å; R313-I317 WeakPolarHBondContact O-CG1 3.16Å; R313-I317 PolarHBondContact O-N 3.41Å; V314-I317 PolarHBondContact O-N 3.41Å; I317-S321 WeakPolarHBondContact O-CB 3.32Å; I317-S321 PolarHBondContact O-N 3.46Å; I317-S321 PolarHBondContact O-OG 3.22Å |
| 318 | W | 74.2 | Confident | 75.5 | Confident | 92 Ų | 92 | 52.9 Ų | 52.9 | 35% | 0.348 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.3 | -50.3 | 175.7 | 174.7 | 75.7 | 0 | 0 | 0 | 111.6 | V314 F315 F316 V320 S321 L322 F329 | V314-W318 WeakPolarHBondContact O-CB 3.02Å; V314-W318 PolarHBondContact O-N 2.69Å; F315-W318 HydrophobicContact CE2-CZ3 4.41Å; F315-W318 PolarHBondContact O-N 3.38Å; F316-W318 VanDerWaalsContact C-N 3.29Å; F316-W318 PolarHBondContact O-N 3.45Å; W318-V320 PolarHBondContact O-N 2.61Å; W318-S321 PolarHBondContact O-N 2.99Å; W318-L322 HydrophobicContact CD2-CD1 3.91Å; W318-L322 HydrophobicContact CE3-CD1 4.25Å; W318-L322 HydrophobicContact CH2-CD1 3.75Å; W318-L322 HydrophobicContact CZ2-CD1 3.35Å; W318-L322 HydrophobicContact CZ3-CD1 4.17Å; W318-L322 WeakPolarHBondContact O-CG 3.41Å; W318-L322 PolarHBondContact O-N 3.44Å; W318-F329 HydrophobicContact CZ2-CE2 4.13Å |
| 319 | A | 75.9 | Confident | 73.5 | Confident | 27 Ų | 27 | 58.8 Ų | 58.8 | 22% | 0.223 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -57.8 | -46.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | F315 F316 L322 L323 | F315-A319 WeakPolarHBondContact O-CB 3.42Å; F315-A319 PolarHBondContact O-N 2.85Å; F316-A319 PolarHBondContact O-N 3.04Å; A319-L322 PolarHBondContact O-N 3.41Å; A319-L323 WeakPolarHBondContact O-CG 3.3Å; A319-L323 PolarHBondContact O-N 2.81Å |
| 320 | V | 80.5 | Confident | 71.1 | Confident | 56 Ų | 56 | 64.7 Ų | 64.7 | 34% | 0.339 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -69 | -38.7 | 177.5 | 177.3 | 0 | 0 | 0 | 0 | 111.5 | L28 F316 W318 L322 L323 A324 | L28-V320 HydrophobicContact CD1-CB 3.92Å; L28-V320 HydrophobicContact CD1-CG1 3.56Å; L28-V320 HydrophobicContact CD1-CG2 4.22Å; L28-V320 HydrophobicContact CD2-CB 4.18Å; L28-V320 HydrophobicContact CD2-CG1 3.91Å; L28-V320 HydrophobicContact CG-CG1 4.4Å; F316-V320 WeakPolarHBondContact O-CB 3.3Å; F316-V320 WeakPolarHBondContact O-CG2 3.47Å; F316-V320 PolarHBondContact O-N 2.86Å; W318-V320 PolarHBondContact O-N 2.61Å; V320-L322 VanDerWaalsContact C-N 3.26Å; V320-L322 PolarHBondContact O-N 3.03Å; V320-L323 PolarHBondContact O-N 3.31Å; V320-A324 VanDerWaalsContact O-CB 3.28Å; V320-A324 WeakPolarHBondContact O-CB 3.47Å; V320-A324 PolarHBondContact O-N 2.89Å |
| 321 | S | 71.7 | Confident | 68.6 | Low | 3 Ų | 3 | 69.2 Ų | 69.2 | 2% | 0.021 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -61.9 | -34.5 | 176.3 | -68.8 | 0 | 0 | 0 | 0 | 112.5 | K31 I317 W318 G325 W326 Q327 | K31-S321 PolarHBondContact NZ-OG 2.9Å; I317-S321 WeakPolarHBondContact O-CB 3.32Å; I317-S321 PolarHBondContact O-N 3.46Å; I317-S321 PolarHBondContact O-OG 3.22Å; W318-S321 PolarHBondContact O-N 2.99Å; S321-G325 PolarHBondContact O-N 2.74Å; S321-W326 PolarHBondContact O-N 3.4Å; S321-Q327 PolarHBondContact O-N 2.7Å |
| 322 | L | 71.9 | Confident | 66.3 | Low | 45 Ų | 45 | 73.9 Ų | 73.9 | 24% | 0.236 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -69.8 | -47.7 | 172.6 | -72 | 178.9 | 0 | 0 | 0 | 111.8 | W318 A319 V320 A324 G325 Q327 F329 | W318-L322 HydrophobicContact CD2-CD1 3.91Å; W318-L322 HydrophobicContact CE3-CD1 4.25Å; W318-L322 HydrophobicContact CH2-CD1 3.75Å; W318-L322 HydrophobicContact CZ2-CD1 3.35Å; W318-L322 HydrophobicContact CZ3-CD1 4.17Å; W318-L322 WeakPolarHBondContact O-CG 3.41Å; W318-L322 PolarHBondContact O-N 3.44Å; A319-L322 PolarHBondContact O-N 3.41Å; V320-L322 VanDerWaalsContact C-N 3.26Å; V320-L322 PolarHBondContact O-N 3.03Å; L322-A324 VanDerWaalsContact C-N 3.3Å; L322-A324 PolarHBondContact O-N 3.38Å; L322-G325 PolarHBondContact O-N 3.37Å; L322-Q327 HydrophobicContact CD2-CB 4.01Å; L322-F329 HydrophobicContact CD1-CD2 4.01Å; L322-F329 HydrophobicContact CD1-CE2 4.34Å; L322-F329 HydrophobicContact CD2-CB 4.37Å; L322-F329 HydrophobicContact CD2-CD2 3.92Å |
| 323 | L | 75.8 | Confident | 63.9 | Low | 156 Ų | 156 | 80.4 Ų | 80.4 | 82% | 0.817 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -62.9 | -35.8 | 179.6 | -70.5 | 172.9 | 0 | 0 | 0 | 112.7 | A319 V320 G325 | A319-L323 WeakPolarHBondContact O-CG 3.3Å; A319-L323 PolarHBondContact O-N 2.81Å; V320-L323 PolarHBondContact O-N 3.31Å; L323-G325 PolarHBondContact O-N 2.97Å |
| 324 | A | 76.4 | Confident | 61.3 | Low | 49 Ų | 49 | 84.7 Ų | 84.7 | 41% | 0.405 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -3.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | V320 L322 W326 | V320-A324 VanDerWaalsContact O-CB 3.28Å; V320-A324 WeakPolarHBondContact O-CB 3.47Å; V320-A324 PolarHBondContact O-N 2.89Å; L322-A324 VanDerWaalsContact C-N 3.3Å; L322-A324 PolarHBondContact O-N 3.38Å; A324-W326 HydrophobicContact CB-CD2 3.93Å; A324-W326 HydrophobicContact CB-CG 3.94Å; A324-W326 PolarHBondContact O-N 3.38Å |
| 325 | G | 68.5 | Low | 59.3 | Low | 46 Ų | 46 | 89 Ų | 89 | 47% | 0.474 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.7 | 12.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | S321 L322 L323 Q327 | S321-G325 PolarHBondContact O-N 2.74Å; L322-G325 PolarHBondContact O-N 3.37Å; L323-G325 PolarHBondContact O-N 2.97Å; G325-Q327 PolarHBondContact O-N 3.15Å |
| 326 | W | 64.8 | Low | 57.8 | Low | 77 Ų | 77 | 92.7 Ų | 92.7 | 29% | 0.292 | 49% | 0.487 | S | S | . | . | S | Bend | trans | -77 | -10.9 | 178 | -63.1 | -8.3 | 0 | 0 | 0 | 113.3 | L28 K31 W32 M35 S321 A324 | L28-W326 HydrophobicContact CB-CZ3 4.43Å; L28-W326 HydrophobicContact CD2-CE3 4.32Å; L28-W326 HydrophobicContact CD2-CZ3 3.75Å; K31-W326 HydrophobicContact CB-CZ3 4.32Å; K31-W326 HydrophobicContact CD-CE3 3.61Å; K31-W326 HydrophobicContact CD-CZ3 3.97Å; K31-W326 HydrophobicContact CG-CE3 4.1Å; K31-W326 HydrophobicContact CG-CZ3 4.11Å; W32-W326 HydrophobicContact CB-CH2 3.92Å; W32-W326 HydrophobicContact CB-CZ2 4.36Å; W32-W326 HydrophobicContact CG-CH2 4.36Å; W32-W326 HydrophobicContact CG-CZ2 4.4Å; M35-W326 HydrophobicContact CE-CD2 4.47Å; M35-W326 HydrophobicContact CE-CG 4.13Å; M35-W326 HydrophobicContact SD-CD2 3.9Å; M35-W326 HydrophobicContact SD-CE3 4.46Å; M35-W326 HydrophobicContact SD-CG 4Å; M35-W326 HydrophobicContact SD-CZ2 4.44Å; S321-W326 PolarHBondContact O-N 3.4Å; A324-W326 HydrophobicContact CB-CD2 3.93Å; A324-W326 HydrophobicContact CB-CG 3.94Å; A324-W326 PolarHBondContact O-N 3.38Å |
| 327 | Q | 52.4 | Low | 56.2 | Low | 65 Ų | 65 | 94.4 Ų | 94.4 | 30% | 0.304 | 51% | 0.511 | S | S | . | . | S | Bend | trans | -130.4 | 120.5 | 167.4 | -74.9 | -176.4 | -30.2 | 0 | 0 | 107.2 | S321 L322 G325 F329 | S321-Q327 PolarHBondContact O-N 2.7Å; L322-Q327 HydrophobicContact CD2-CB 4.01Å; G325-Q327 PolarHBondContact O-N 3.15Å; Q327-F329 PolarHBondContact O-N 3.02Å |
| 328 | H | 43.7 | Very low | 54.9 | Low | 168 Ų | 168 | 96.6 Ų | 96.6 | 78% | 0.778 | 53% | 0.525 | S | S | * | . | trans | -69.6 | 121.9 | 166 | -73.1 | -76.2 | 0 | 0 | 0 | 107.8 | V330 | H328-V330 VanDerWaalsContact C-N 3.32Å; H328-V330 PolarHBondContact O-N 3.33Å | ||
| 329 | F | 42.5 | Very low | 53.4 | Low | 126 Ų | 126 | 99.2 Ų | 99.2 | 55% | 0.553 | 54% | 0.541 | S | S | * | . | trans | -64.3 | 104.6 | 158.6 | -148.4 | -83 | 0 | 0 | 0 | 105.1 | W318 L322 Q327 L331 | W318-F329 HydrophobicContact CZ2-CE2 4.13Å; L322-F329 HydrophobicContact CD1-CD2 4.01Å; L322-F329 HydrophobicContact CD1-CE2 4.34Å; L322-F329 HydrophobicContact CD2-CB 4.37Å; L322-F329 HydrophobicContact CD2-CD2 3.92Å; Q327-F329 PolarHBondContact O-N 3.02Å; F329-L331 HydrophobicContact CD1-CB 4.02Å; F329-L331 HydrophobicContact CD1-CD1 3.41Å; F329-L331 VanDerWaalsContact CD1-CD1 3.41Å; F329-L331 HydrophobicContact CD1-CG 3.53Å; F329-L331 HydrophobicContact CE1-CD1 3.48Å; F329-L331 VanDerWaalsContact CE1-CD1 3.48Å; F329-L331 HydrophobicContact CE1-CG 3.67Å; F329-L331 HydrophobicContact CG-CD1 4.48Å; F329-L331 PolarHBondContact O-N 2.94Å | ||
| 330 | V | 40.2 | Very low | 52 | Low | 132 Ų | 132 | 108.5 Ų | 108.5 | 80% | 0.8 | 57% | 0.57 | S | S | * | * | trans | -72.7 | 70.1 | 172.2 | -174.6 | 0 | 0 | 0 | 0 | 107.2 | H328 | H328-V330 VanDerWaalsContact C-N 3.32Å; H328-V330 PolarHBondContact O-N 3.33Å | ||
| 331 | L | 34.5 | Very low | 50.6 | Low | 117 Ų | 117 | 109.7 Ų | 109.7 | 61% | 0.613 | 57% | 0.574 | S | S | * | * | trans | -87.3 | 102.1 | 154.2 | -97.5 | 159.2 | 0 | 0 | 0 | 104.9 | F329 | F329-L331 HydrophobicContact CD1-CB 4.02Å; F329-L331 HydrophobicContact CD1-CD1 3.41Å; F329-L331 VanDerWaalsContact CD1-CD1 3.41Å; F329-L331 HydrophobicContact CD1-CG 3.53Å; F329-L331 HydrophobicContact CE1-CD1 3.48Å; F329-L331 VanDerWaalsContact CE1-CD1 3.48Å; F329-L331 HydrophobicContact CE1-CG 3.67Å; F329-L331 HydrophobicContact CG-CD1 4.48Å; F329-L331 PolarHBondContact O-N 2.94Å | ||
| 332 | L | 34.7 | Very low | 49.5 | Very low | 109 Ų | 109 | 113.3 Ų | 113.3 | 57% | 0.571 | 59% | 0.59 | S | S | * | * | trans | 62.1 | 70.2 | 149.2 | -61.1 | 155.5 | 0 | 0 | 0 | 116.9 | F342 | L332-F342 HydrophobicContact CD2-CE2 4.37Å; L332-F342 HydrophobicContact CD2-CZ 3.81Å | ||
| 333 | Q | 31.1 | Very low | 48.5 | Very low | 183 Ų | 183 | 117.7 Ų | 117.7 | 86% | 0.855 | 61% | 0.607 | S | S | * | * | trans | -104.5 | 103.2 | 156.1 | -159.1 | 159 | -3.7 | 0 | 0 | 110 | ||||
| 334 | V | 30 | Very low | 47.5 | Very low | 111 Ų | 111 | 112.8 Ų | 112.8 | 67% | 0.673 | 58% | 0.581 | S | S | * | * | trans | -85 | 124 | -170.5 | 175.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 335 | T | 36.9 | Very low | 46.4 | Very low | 107 Ų | 107 | 113.7 Ų | 113.7 | 66% | 0.656 | 58% | 0.582 | S | S | * | * | trans | -144.3 | 138.8 | 150.1 | -42.7 | 0 | 0 | 0 | 0 | 108.2 | S337 V338 | T335-S337 VanDerWaalsContact C-N 3.33Å; T335-S337 PolarHBondContact O-N 3.28Å; T335-S337 VanDerWaalsContact O-N 3.08Å; T335-V338 WeakPolarHBondContact O-CB 3.13Å; T335-V338 VanDerWaalsContact O-CG2 3.32Å; T335-V338 WeakPolarHBondContact O-CG2 3.3Å; T335-V338 PolarHBondContact O-N 2.81Å | ||
| 336 | E | 44.9 | Very low | 45.8 | Very low | 170 Ų | 170 | 113.7 Ų | 113.7 | 79% | 0.794 | 57% | 0.574 | S | S | * | * | G | 310 helix | trans | -61.5 | -25.9 | -151.4 | -61.7 | -166.8 | 153.8 | 0 | 0 | 116.7 | V338 | E336-V338 PolarHBondContact O-N 2.83Š|
| 337 | S | 49.2 | Very low | 45.4 | Very low | 127 Ų | 127 | 113.1 Ų | 113.1 | 89% | 0.888 | 58% | 0.577 | S | S | * | * | G | 310 helix | trans | -75.5 | -3.7 | 178.4 | -56.1 | 0 | 0 | 0 | 0 | 113.8 | T335 | T335-S337 VanDerWaalsContact C-N 3.33Å; T335-S337 PolarHBondContact O-N 3.28Å; T335-S337 VanDerWaalsContact O-N 3.08Å |
| 338 | V | 53.1 | Low | 45.7 | Very low | 63 Ų | 63 | 111.5 Ų | 111.5 | 38% | 0.382 | 57% | 0.569 | S | S | . | * | G | 310 helix | trans | -88.4 | -9.6 | -178.1 | -173.6 | 0 | 0 | 0 | 0 | 112.2 | T335 E336 R340 L341 F342 | T335-V338 WeakPolarHBondContact O-CB 3.13Å; T335-V338 VanDerWaalsContact O-CG2 3.32Å; T335-V338 WeakPolarHBondContact O-CG2 3.3Å; T335-V338 PolarHBondContact O-N 2.81Å; E336-V338 PolarHBondContact O-N 2.83Å; V338-R340 PolarHBondContact O-N 3.11Å; V338-L341 CarbonylContact O-C 3.43Å; V338-L341 PolarHBondContact O-N 3.18Å; V338-L341 VanDerWaalsContact O-N 3.17Å; V338-F342 HydrophobicContact CG1-CB 4.19Å; V338-F342 WeakPolarHBondContact O-CA 3.34Å; V338-F342 WeakPolarHBondContact O-CB 3.45Å; V338-F342 PolarHBondContact O-N 3.42Å |
| 339 | Q | 43.6 | Very low | 46.5 | Very low | 146 Ų | 146 | 107 Ų | 107 | 68% | 0.682 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -62.6 | -34.6 | -165.6 | -156.2 | 150.8 | -48.8 | 0 | 0 | 116.8 | F342 F343 | Q339-F342 WeakPolarHBondContact O-CB 3.2Å; Q339-F343 PolarHBondContact O-N 2.94Å; Q339-F343 VanDerWaalsContact O-N 3.1Å |
| 340 | R | 46.3 | Very low | 47.6 | Very low | 223 Ų | 223 | 104.6 Ų | 104.6 | 84% | 0.842 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -75.7 | -42.9 | 173.5 | -79.3 | -173.7 | -154.9 | -125.1 | 1.2 | 112.4 | V338 F342 I344 | V338-R340 PolarHBondContact O-N 3.11Å; R340-F342 PolarHBondContact O-N 3.46Å; R340-I344 WeakPolarHBondContact O-CG1 3.27Å; R340-I344 PolarHBondContact O-N 3.26Å |
| 341 | L | 49.9 | Very low | 48.9 | Very low | 80 Ų | 80 | 102.9 Ų | 102.9 | 42% | 0.419 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64 | -30.8 | 173.9 | -166.6 | 66.3 | 0 | 0 | 0 | 110.7 | S179 V338 T345 | S179-L341 WeakPolarHBondContact O-CD1 3.42Å; V338-L341 CarbonylContact O-C 3.43Å; V338-L341 PolarHBondContact O-N 3.18Å; V338-L341 VanDerWaalsContact O-N 3.17Å; L341-T345 WeakPolarHBondContact O-CB 3.2Å; L341-T345 PolarHBondContact O-N 2.85Å; L341-T345 PolarHBondContact O-OG1 3.39Å |
| 342 | F | 48.7 | Very low | 50.5 | Low | 80 Ų | 80 | 98.4 Ų | 98.4 | 35% | 0.351 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -71.1 | -45.5 | 179.1 | -180 | -99.9 | 0 | 0 | 0 | 113 | L332 V338 Q339 R340 I344 S346 | L332-F342 HydrophobicContact CD2-CE2 4.37Å; L332-F342 HydrophobicContact CD2-CZ 3.81Å; V338-F342 HydrophobicContact CG1-CB 4.19Å; V338-F342 WeakPolarHBondContact O-CA 3.34Å; V338-F342 WeakPolarHBondContact O-CB 3.45Å; V338-F342 PolarHBondContact O-N 3.42Å; Q339-F342 WeakPolarHBondContact O-CB 3.2Å; R340-F342 PolarHBondContact O-N 3.46Å; F342-I344 VanDerWaalsContact C-N 3.34Å; F342-S346 WeakPolarHBondContact O-CB 3.48Å; F342-S346 PolarHBondContact O-N 3.24Å; F342-S346 PolarHBondContact O-OG 3.34Å |
| 343 | F | 52 | Low | 52.1 | Low | 136 Ų | 136 | 97 Ų | 97 | 60% | 0.596 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.2 | -46.2 | 175.6 | -174.4 | -101.3 | 0 | 0 | 0 | 110 | Q339 S346 L347 | Q339-F343 PolarHBondContact O-N 2.94Å; Q339-F343 VanDerWaalsContact O-N 3.1Å; F343-S346 PolarHBondContact O-N 3.36Å; F343-L347 HydrophobicContact CE1-CD1 4.14Å; F343-L347 HydrophobicContact CE1-CD2 4.18Å; F343-L347 HydrophobicContact CE2-CD1 4.31Å; F343-L347 HydrophobicContact CZ-CD1 3.89Å; F343-L347 WeakPolarHBondContact O-CB 3.45Å; F343-L347 PolarHBondContact O-N 3.22Å |
| 344 | I | 54.2 | Low | 54.1 | Low | 53 Ų | 53 | 89.9 Ų | 89.9 | 27% | 0.272 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -68.5 | -42 | -179.3 | -58.5 | 167.9 | 0 | 0 | 0 | 111.5 | F176 R340 F342 L347 K348 | F176-I344 HydrophobicContact CD1-CG2 3.49Å; F176-I344 VanDerWaalsContact CD1-CG2 3.49Å; F176-I344 HydrophobicContact CE1-CG2 3.79Å; R340-I344 WeakPolarHBondContact O-CG1 3.27Å; R340-I344 PolarHBondContact O-N 3.26Å; F342-I344 VanDerWaalsContact C-N 3.34Å; I344-L347 PolarHBondContact O-N 3.47Å; I344-K348 WeakPolarHBondContact O-CB 3.37Å; I344-K348 WeakPolarHBondContact O-CG 3.38Å; I344-K348 PolarHBondContact O-N 2.69Å |
| 345 | T | 53.8 | Low | 56 | Low | 69 Ų | 69 | 84.6 Ų | 84.6 | 42% | 0.423 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -68.5 | -35.9 | 177.1 | -55.5 | 0 | 0 | 0 | 0 | 112.3 | L341 K348 C349 | L341-T345 WeakPolarHBondContact O-CB 3.2Å; L341-T345 PolarHBondContact O-N 2.85Å; L341-T345 PolarHBondContact O-OG1 3.39Å; T345-K348 WeakPolarHBondContact O-CB 3.26Å; T345-C349 VanDerWaalsContact O-CB 3.3Å; T345-C349 WeakPolarHBondContact O-CB 3.33Å; T345-C349 PolarHBondContact O-N 3.26Å |
| 346 | S | 54.6 | Low | 57.7 | Low | 46 Ų | 46 | 81.1 Ų | 81.1 | 32% | 0.322 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -67.8 | -37.5 | 172.1 | -66.4 | 0 | 0 | 0 | 0 | 111.6 | F342 F343 C349 S350 | F342-S346 WeakPolarHBondContact O-CB 3.48Å; F342-S346 PolarHBondContact O-N 3.24Å; F342-S346 PolarHBondContact O-OG 3.34Å; F343-S346 PolarHBondContact O-N 3.36Å; S346-C349 PolarHBondContact O-N 2.89Å; S346-S350 WeakPolarHBondContact O-CB 3.33Å; S346-S350 PolarHBondContact O-N 3.28Å; S346-S350 PolarHBondContact O-OG 2.98Å |
| 347 | L | 56.9 | Low | 59.2 | Low | 65 Ų | 65 | 79 Ų | 79 | 34% | 0.34 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -67.7 | -44.5 | 174.9 | -131.3 | 73.8 | 0 | 0 | 0 | 111.4 | F176 F343 I344 C349 S350 F351 | F176-L347 HydrophobicContact CE1-CB 4.14Å; F176-L347 HydrophobicContact CE1-CD2 4.48Å; F176-L347 HydrophobicContact CZ-CB 3.89Å; F176-L347 HydrophobicContact CZ-CD2 4.25Å; F176-L347 HydrophobicContact CZ-CG 4.4Å; F343-L347 HydrophobicContact CE1-CD1 4.14Å; F343-L347 HydrophobicContact CE1-CD2 4.18Å; F343-L347 HydrophobicContact CE2-CD1 4.31Å; F343-L347 HydrophobicContact CZ-CD1 3.89Å; F343-L347 WeakPolarHBondContact O-CB 3.45Å; F343-L347 PolarHBondContact O-N 3.22Å; I344-L347 PolarHBondContact O-N 3.47Å; L347-C349 VanDerWaalsContact C-N 3.34Å; L347-C349 PolarHBondContact O-N 3Å; L347-S350 PolarHBondContact O-N 3.06Å; L347-F351 WeakPolarHBondContact O-CB 3.25Å; L347-F351 PolarHBondContact O-N 3.08Å |
| 348 | K | 58.7 | Low | 60.6 | Low | 30 Ų | 30 | 75 Ų | 75 | 13% | 0.13 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -50.4 | -54.8 | 169.4 | -79.1 | 178 | -159.2 | -125.4 | 0 | 110.6 | F176 S180 I344 T345 S350 F351 K352 | F176-K348 HydrophobicContact CB-CD 3.69Å; F176-K348 VanDerWaalsContact CB-CE 3.47Å; F176-K348 HydrophobicContact CB-CG 3.29Å; F176-K348 HydrophobicContact CD1-CD 4.42Å; F176-K348 HydrophobicContact CD1-CG 3.48Å; F176-K348 VanDerWaalsContact CD1-CG 3.48Å; F176-K348 HydrophobicContact CD2-CB 4.07Å; F176-K348 HydrophobicContact CD2-CG 3.39Å; F176-K348 HydrophobicContact CE1-CG 4.06Å; F176-K348 HydrophobicContact CE2-CB 4.35Å; F176-K348 HydrophobicContact CE2-CG 4.02Å; F176-K348 HydrophobicContact CG-CB 4.24Å; F176-K348 HydrophobicContact CG-CD 4.06Å; F176-K348 HydrophobicContact CG-CG 3.11Å; F176-K348 HydrophobicContact CZ-CG 4.31Å; F176-K348 WeakPolarHBondContact O-CE 3.14Å; F176-K348 PolarHBondContact O-NZ 3.38Å; S180-K348 VanDerWaalsContact CB-NZ 3.33Å; S180-K348 PolarHBondContact OG-NZ 2.7Å; I344-K348 WeakPolarHBondContact O-CB 3.37Å; I344-K348 WeakPolarHBondContact O-CG 3.38Å; I344-K348 PolarHBondContact O-N 2.69Å; T345-K348 WeakPolarHBondContact O-CB 3.26Å; K348-S350 PolarHBondContact O-N 3.22Å; K348-F351 PolarHBondContact O-N 3.34Å; K348-K352 WeakPolarHBondContact O-CG 3.27Å; K348-K352 PolarHBondContact O-N 3.03Å |
| 349 | C | 61.5 | Low | 61.7 | Low | 74 Ų | 74 | 72.2 Ų | 72.2 | 50% | 0.5 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.8 | -44.9 | -177.6 | -162.1 | 0 | 0 | 0 | 0 | 110.5 | T345 S346 L347 F351 K352 L353 | T345-C349 VanDerWaalsContact O-CB 3.3Å; T345-C349 WeakPolarHBondContact O-CB 3.33Å; T345-C349 PolarHBondContact O-N 3.26Å; S346-C349 PolarHBondContact O-N 2.89Å; L347-C349 VanDerWaalsContact C-N 3.34Å; L347-C349 PolarHBondContact O-N 3Å; C349-F351 PolarHBondContact O-N 3.5Å; C349-K352 PolarHBondContact O-N 3.34Å; C349-L353 VanDerWaalsContact O-CB 3.26Å; C349-L353 WeakPolarHBondContact O-CB 3.43Å; C349-L353 PolarHBondContact O-N 3.02Å |
| 350 | S | 65 | Low | 63.2 | Low | 76 Ų | 76 | 66.9 Ų | 66.9 | 53% | 0.531 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.9 | -42.2 | 177.4 | -58.1 | 0 | 0 | 0 | 0 | 112.7 | S346 L347 K348 G354 | S346-S350 WeakPolarHBondContact O-CB 3.33Å; S346-S350 PolarHBondContact O-N 3.28Å; S346-S350 PolarHBondContact O-OG 2.98Å; L347-S350 PolarHBondContact O-N 3.06Å; K348-S350 PolarHBondContact O-N 3.22Å; S350-G354 PolarHBondContact O-N 3.48Å |
| 351 | F | 67.7 | Low | 64.8 | Low | 96 Ų | 96 | 61.4 Ų | 61.4 | 42% | 0.421 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.9 | -46.2 | 175.8 | -98.9 | -103.5 | 0 | 0 | 0 | 111.8 | I168 F176 L347 K348 C349 G354 G355 | I168-F351 HydrophobicContact CG2-CD1 4.31Å; F176-F351 HydrophobicContact CE2-CB 4.29Å; F176-F351 HydrophobicContact CE2-CD2 4.48Å; F176-F351 HydrophobicContact CE2-CG 4.35Å; L347-F351 WeakPolarHBondContact O-CB 3.25Å; L347-F351 PolarHBondContact O-N 3.08Å; K348-F351 PolarHBondContact O-N 3.34Å; C349-F351 PolarHBondContact O-N 3.5Å; F351-G354 PolarHBondContact O-N 3.22Å; F351-G355 PolarHBondContact O-N 3.14Å |
| 352 | K | 67.3 | Low | 66.1 | Low | 22 Ų | 22 | 57.6 Ų | 57.6 | 10% | 0.096 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.9 | -40.8 | 176.1 | -72.9 | -166.7 | 178.9 | -168.7 | 0 | 112.4 | S127 M130 D173 K348 C349 G355 F356 | S127-K352 PolarHBondContact OG-NZ 3Å; M130-K352 HydrophobicContact CE-CB 3.86Å; M130-K352 HydrophobicContact SD-CB 4.19Å; D173-K352 WeakPolarHBondContact OD1-CE 3.48Å; D173-K352 IonicContact OD1-NZ 3.66Å; D173-K352 PolarHBondContact OD1-NZ 3.27Å; D173-K352 IonicContact OD2-NZ 3.34Å; K348-K352 WeakPolarHBondContact O-CG 3.27Å; K348-K352 PolarHBondContact O-N 3.03Å; C349-K352 PolarHBondContact O-N 3.34Å; K352-G355 PolarHBondContact O-N 3.28Å; K352-F356 WeakPolarHBondContact O-CB 3.32Å; K352-F356 PolarHBondContact O-N 3.29Å |
| 353 | L | 69.7 | Low | 67.5 | Low | 81 Ų | 81 | 54.4 Ų | 54.4 | 42% | 0.424 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.5 | -45.1 | 175.4 | -140.9 | 86.4 | 0 | 0 | 0 | 110.3 | C349 F356 F357 | C349-L353 VanDerWaalsContact O-CB 3.26Å; C349-L353 WeakPolarHBondContact O-CB 3.43Å; C349-L353 PolarHBondContact O-N 3.02Å; L353-F356 WeakPolarHBondContact O-CB 3.32Å; L353-F356 PolarHBondContact O-N 2.9Å; L353-F357 HydrophobicContact CD2-CD2 4.44Å; L353-F357 HydrophobicContact CD2-CE2 3.65Å; L353-F357 HydrophobicContact CG-CD2 4.28Å; L353-F357 HydrophobicContact CG-CE2 3.8Å; L353-F357 WeakPolarHBondContact O-CD2 3.28Å; L353-F357 PolarHBondContact O-N 3.3Å |
| 354 | G | 71.6 | Confident | 68.5 | Low | 32 Ų | 32 | 50.1 Ų | 50.1 | 33% | 0.33 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -58.6 | -47.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | S350 F351 F356 F357 V358 | S350-G354 PolarHBondContact O-N 3.48Å; F351-G354 PolarHBondContact O-N 3.22Å; G354-F356 VanDerWaalsContact C-N 3.34Å; G354-F356 PolarHBondContact O-N 3.04Å; G354-F357 PolarHBondContact O-N 3.3Å; G354-V358 WeakPolarHBondContact O-CG2 3.29Å; G354-V358 PolarHBondContact O-N 2.82Å |
| 355 | G | 70.6 | Confident | 69.6 | Low | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -57.8 | -44.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | F351 K352 V358 L359 | F351-G355 PolarHBondContact O-N 3.14Å; K352-G355 PolarHBondContact O-N 3.28Å; G355-V358 PolarHBondContact O-N 3.39Å; G355-L359 WeakPolarHBondContact O-CB 3.47Å; G355-L359 VanDerWaalsContact O-CG 3.24Å; G355-L359 WeakPolarHBondContact O-CG 3.44Å; G355-L359 PolarHBondContact O-N 3.45Å |
| 356 | F | 72.2 | Confident | 70.5 | Confident | 34 Ų | 34 | 45.9 Ų | 45.9 | 15% | 0.149 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -62.5 | -42 | 176 | -179.1 | -105.7 | 0 | 0 | 0 | 113.3 | M130 V314 K352 L353 G354 L359 L360 | M130-F356 HydrophobicContact CE-CB 3.91Å; M130-F356 HydrophobicContact CE-CG 4.47Å; M130-F356 HydrophobicContact CG-CD2 4.2Å; V314-F356 HydrophobicContact CG1-CE2 4.4Å; K352-F356 WeakPolarHBondContact O-CB 3.32Å; K352-F356 PolarHBondContact O-N 3.29Å; L353-F356 WeakPolarHBondContact O-CB 3.32Å; L353-F356 PolarHBondContact O-N 2.9Å; G354-F356 VanDerWaalsContact C-N 3.34Å; G354-F356 PolarHBondContact O-N 3.04Å; F356-L359 WeakPolarHBondContact O-CB 3.38Å; F356-L359 PolarHBondContact O-N 2.63Å; F356-L360 HydrophobicContact CD1-CD1 3.86Å; F356-L360 HydrophobicContact CD1-CG 4.34Å; F356-L360 HydrophobicContact CE1-CD1 3.29Å; F356-L360 HydrophobicContact CE1-CG 4Å; F356-L360 HydrophobicContact CE2-CD1 4.35Å; F356-L360 HydrophobicContact CE2-CD2 4.39Å; F356-L360 HydrophobicContact CE2-CG 4.24Å; F356-L360 HydrophobicContact CZ-CD1 3.58Å; F356-L360 HydrophobicContact CZ-CD2 4.17Å; F356-L360 HydrophobicContact CZ-CG 3.95Å; F356-L360 WeakPolarHBondContact O-CB 3.33Å; F356-L360 WeakPolarHBondContact O-CG 3.2Å; F356-L360 PolarHBondContact O-N 3.32Å |
| 357 | F | 77.3 | Confident | 71 | Confident | 126 Ų | 126 | 44.3 Ų | 44.3 | 55% | 0.553 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -65.3 | -39.8 | 174.7 | -78.3 | -64.5 | 0 | 0 | 0 | 112.1 | L353 G354 L360 F361 | L353-F357 HydrophobicContact CD2-CD2 4.44Å; L353-F357 HydrophobicContact CD2-CE2 3.65Å; L353-F357 HydrophobicContact CG-CD2 4.28Å; L353-F357 HydrophobicContact CG-CE2 3.8Å; L353-F357 WeakPolarHBondContact O-CD2 3.28Å; L353-F357 PolarHBondContact O-N 3.3Å; G354-F357 PolarHBondContact O-N 3.3Å; F357-L360 PolarHBondContact O-N 3.12Å; F357-F361 WeakPolarHBondContact O-CB 3.28Å; F357-F361 PolarHBondContact O-N 3.42Å |
| 358 | V | 79 | Confident | 71.5 | Confident | 43 Ų | 43 | 43.7 Ų | 43.7 | 26% | 0.261 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63.9 | -41.8 | 174.5 | 173 | 0 | 0 | 0 | 0 | 110.9 | L161 C164 G354 G355 F361 G362 | L161-V358 WeakPolarHBondContact O-CG1 3.4Å; C164-V358 HydrophobicContact CB-CG1 4.39Å; G354-V358 WeakPolarHBondContact O-CG2 3.29Å; G354-V358 PolarHBondContact O-N 2.82Å; G355-V358 PolarHBondContact O-N 3.39Å; V358-F361 PolarHBondContact O-N 3.39Å; V358-G362 PolarHBondContact O-N 3.32Å |
| 359 | L | 76.1 | Confident | 71.4 | Confident | 4 Ų | 4 | 43.7 Ų | 43.7 | 2% | 0.021 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -57.3 | -55.4 | 173.2 | -73 | 169.3 | 0 | 0 | 0 | 111 | M130 V162 L166 V169 G355 F356 F361 G362 M363 | M130-L359 HydrophobicContact CB-CD1 3.96Å; M130-L359 HydrophobicContact CG-CD1 4.32Å; V162-L359 HydrophobicContact CB-CD2 4.34Å; V162-L359 HydrophobicContact CG1-CD2 3.7Å; V162-L359 WeakPolarHBondContact O-CD2 3.26Å; L166-L359 HydrophobicContact CD2-CD1 4.48Å; L166-L359 HydrophobicContact CD2-CD2 3.87Å; L166-L359 HydrophobicContact CG-CD2 3.77Å; V169-L359 HydrophobicContact CG2-CD1 4.26Å; G355-L359 WeakPolarHBondContact O-CB 3.47Å; G355-L359 VanDerWaalsContact O-CG 3.24Å; G355-L359 WeakPolarHBondContact O-CG 3.44Å; G355-L359 PolarHBondContact O-N 3.45Å; F356-L359 WeakPolarHBondContact O-CB 3.38Å; F356-L359 PolarHBondContact O-N 2.63Å; L359-F361 VanDerWaalsContact C-N 3.3Å; L359-F361 PolarHBondContact O-N 2.83Å; L359-G362 PolarHBondContact O-N 3.06Å; L359-M363 HydrophobicContact CB-CE 4.42Å; L359-M363 WeakPolarHBondContact O-CG 3.29Å; L359-M363 PolarHBondContact O-N 3.42Å |
| 360 | L | 74 | Confident | 70.9 | Confident | 35 Ų | 35 | 46.7 Ų | 46.7 | 18% | 0.183 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.6 | -41.1 | 179.2 | -73.1 | -177.1 | 0 | 0 | 0 | 111.8 | F356 F357 M363 V364 | F356-L360 HydrophobicContact CD1-CD1 3.86Å; F356-L360 HydrophobicContact CD1-CG 4.34Å; F356-L360 HydrophobicContact CE1-CD1 3.29Å; F356-L360 HydrophobicContact CE1-CG 4Å; F356-L360 HydrophobicContact CE2-CD1 4.35Å; F356-L360 HydrophobicContact CE2-CD2 4.39Å; F356-L360 HydrophobicContact CE2-CG 4.24Å; F356-L360 HydrophobicContact CZ-CD1 3.58Å; F356-L360 HydrophobicContact CZ-CD2 4.17Å; F356-L360 HydrophobicContact CZ-CG 3.95Å; F356-L360 WeakPolarHBondContact O-CB 3.33Å; F356-L360 WeakPolarHBondContact O-CG 3.2Å; F356-L360 PolarHBondContact O-N 3.32Å; F357-L360 PolarHBondContact O-N 3.12Å; L360-M363 HydrophobicContact CD2-SD 4.22Å; L360-M363 WeakPolarHBondContact O-CB 3.2Å; L360-M363 PolarHBondContact O-N 3.33Å; L360-V364 WeakPolarHBondContact O-CB 3.38Å; L360-V364 VanDerWaalsContact O-CG2 3.27Å; L360-V364 WeakPolarHBondContact O-CG2 3.29Å; L360-V364 PolarHBondContact O-N 3.07Å |
| 361 | F | 79.6 | Confident | 70.2 | Confident | 107 Ų | 107 | 46.2 Ų | 46.2 | 47% | 0.469 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -65.6 | -42.2 | 178.5 | -173.3 | -112.7 | 0 | 0 | 0 | 111.9 | L161 F357 V358 L359 M363 V364 I365 L371 | L161-F361 HydrophobicContact CD1-CD1 3.97Å; L161-F361 HydrophobicContact CD1-CE1 4.17Å; F357-F361 WeakPolarHBondContact O-CB 3.28Å; F357-F361 PolarHBondContact O-N 3.42Å; V358-F361 PolarHBondContact O-N 3.39Å; L359-F361 VanDerWaalsContact C-N 3.3Å; L359-F361 PolarHBondContact O-N 2.83Å; F361-M363 VanDerWaalsContact C-N 3.33Å; F361-M363 PolarHBondContact O-N 3.4Å; F361-V364 PolarHBondContact O-N 3.21Å; F361-I365 HydrophobicContact CD1-CD1 3.7Å; F361-I365 HydrophobicContact CE1-CD1 3.25Å; F361-I365 HydrophobicContact CE1-CG1 4.31Å; F361-I365 HydrophobicContact CE2-CD1 4.29Å; F361-I365 HydrophobicContact CG-CD1 4.4Å; F361-I365 HydrophobicContact CZ-CD1 3.58Å; F361-I365 HydrophobicContact CZ-CG1 4.28Å; F361-I365 WeakPolarHBondContact O-CG1 3.37Å; F361-I365 PolarHBondContact O-N 3.48Å; F361-L371 HydrophobicContact CE2-CD1 4.37Å |
| 362 | G | 78.4 | Confident | 69.3 | Low | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.5 | -41 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | G158 V358 L359 I365 Y366 | G158-G362 VanDerWaalsContact CA-O 3.22Å; G158-G362 WeakPolarHBondContact CA-O 3.44Å; V358-G362 PolarHBondContact O-N 3.32Å; L359-G362 PolarHBondContact O-N 3.06Å; G362-I365 PolarHBondContact O-N 3.25Å; G362-Y366 PolarHBondContact O-N 3.41Å |
| 363 | M | 76.5 | Confident | 68.6 | Low | 13 Ų | 13 | 51.8 Ų | 51.8 | 6% | 0.064 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.1 | -41.4 | 174.8 | -66.4 | 167.7 | 179.7 | 0 | 0 | 112.3 | I136 V162 V308 S311 L359 L360 F361 Y366 N367 | I136-M363 HydrophobicContact CD1-CE 3.77Å; I136-M363 HydrophobicContact CD1-CG 3.53Å; I136-M363 HydrophobicContact CD1-SD 4.11Å; V162-M363 HydrophobicContact CG2-CG 3.93Å; V308-M363 HydrophobicContact CG1-CB 4.31Å; S311-M363 WeakPolarHBondContact CB-SD 3.25Å; L359-M363 HydrophobicContact CB-CE 4.42Å; L359-M363 WeakPolarHBondContact O-CG 3.29Å; L359-M363 PolarHBondContact O-N 3.42Å; L360-M363 HydrophobicContact CD2-SD 4.22Å; L360-M363 WeakPolarHBondContact O-CB 3.2Å; L360-M363 PolarHBondContact O-N 3.33Å; F361-M363 VanDerWaalsContact C-N 3.33Å; F361-M363 PolarHBondContact O-N 3.4Å; M363-Y366 WeakPolarHBondContact O-CB 3.33Å; M363-Y366 PolarHBondContact O-N 3.07Å; M363-N367 PolarHBondContact O-N 3.43Å; M363-N367 VanDerWaalsContact O-N 3.11Å |
| 364 | V | 73.9 | Confident | 67.6 | Low | 47 Ų | 47 | 54.3 Ų | 54.3 | 29% | 0.285 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -67.4 | -36.1 | 175.5 | 169.4 | 0 | 0 | 0 | 0 | 111.5 | L360 F361 Y366 N367 F370 L371 | L360-V364 WeakPolarHBondContact O-CB 3.38Å; L360-V364 VanDerWaalsContact O-CG2 3.27Å; L360-V364 WeakPolarHBondContact O-CG2 3.29Å; L360-V364 PolarHBondContact O-N 3.07Å; F361-V364 PolarHBondContact O-N 3.21Å; V364-Y366 VanDerWaalsContact C-N 3.35Å; V364-N367 CarbonylContact O-C 3.55Å; V364-F370 HydrophobicContact CG1-CB 4.21Å; V364-L371 HydrophobicContact CG1-CB 4.4Å |
| 365 | I | 76.9 | Confident | 66.7 | Low | 31 Ų | 31 | 56.5 Ų | 56.5 | 16% | 0.159 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67.7 | -38.6 | 173.5 | -76.3 | 168.9 | 0 | 0 | 0 | 110.9 | Y154 L161 F361 G362 N367 L371 | Y154-I365 WeakPolarHBondContact CD2-O 3.42Å; Y154-I365 WeakPolarHBondContact O-CG2 3.44Å; L161-I365 HydrophobicContact CD1-CD1 3.32Å; F361-I365 HydrophobicContact CD1-CD1 3.7Å; F361-I365 HydrophobicContact CE1-CD1 3.25Å; F361-I365 HydrophobicContact CE1-CG1 4.31Å; F361-I365 HydrophobicContact CE2-CD1 4.29Å; F361-I365 HydrophobicContact CG-CD1 4.4Å; F361-I365 HydrophobicContact CZ-CD1 3.58Å; F361-I365 HydrophobicContact CZ-CG1 4.28Å; F361-I365 WeakPolarHBondContact O-CG1 3.37Å; F361-I365 PolarHBondContact O-N 3.48Å; G362-I365 PolarHBondContact O-N 3.25Å; I365-N367 VanDerWaalsContact C-N 3.33Å; I365-N367 PolarHBondContact O-N 3.41Å; I365-L371 HydrophobicContact CG1-CD2 4.22Å |
| 366 | Y | 73.1 | Confident | 66 | Low | 1 Ų | 1 | 59.8 Ų | 59.8 | 0% | 0.004 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.8 | -43.4 | 177.6 | -169.9 | -80.6 | 0 | 0 | 0 | 111.9 | I136 K155 M159 P304 V308 G362 M363 V364 | I136-Y366 HydrophobicContact CG2-CD2 4.49Å; K155-Y366 HydrophobicContact CB-CD2 3.81Å; K155-Y366 HydrophobicContact CB-CE2 3.56Å; K155-Y366 HydrophobicContact CB-CG 4.5Å; K155-Y366 HydrophobicContact CD-CE1 4.04Å; K155-Y366 HydrophobicContact CD-CE2 4.14Å; K155-Y366 HydrophobicContact CG-CD1 4.47Å; K155-Y366 HydrophobicContact CG-CD2 4.19Å; K155-Y366 HydrophobicContact CG-CE1 4.32Å; K155-Y366 HydrophobicContact CG-CE2 3.98Å; K155-Y366 HydrophobicContact CG-CG 4.42Å; K155-Y366 VanDerWaalsContact O-CD2 3.24Å; K155-Y366 WeakPolarHBondContact O-CD2 3.4Å; M159-Y366 HydrophobicContact CG-CD2 3.89Å; M159-Y366 HydrophobicContact CG-CE2 3.84Å; M159-Y366 HydrophobicContact SD-CE2 4.13Å; P304-Y366 HydrophobicContact CB-CE1 3.78Å; P304-Y366 WeakPolarHBondContact CB-OH 3.43Å; V308-Y366 HydrophobicContact CG2-CD1 3.58Å; V308-Y366 HydrophobicContact CG2-CE1 4.2Å; V308-Y366 HydrophobicContact CG2-CG 4.12Å; G362-Y366 PolarHBondContact O-N 3.41Å; M363-Y366 WeakPolarHBondContact O-CB 3.33Å; M363-Y366 PolarHBondContact O-N 3.07Å; V364-Y366 VanDerWaalsContact C-N 3.35Å |
| 367 | N | 65.4 | Low | 65 | Low | 13 Ų | 13 | 61.3 Ų | 61.3 | 7% | 0.07 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -97.3 | 103 | 176 | -116.1 | -24.2 | 0 | 0 | 0 | 110.4 | V308 M363 V364 I365 I369 | V308-N367 HydrophobicContact CG1-CB 3.94Å; V308-N367 VanDerWaalsContact CG1-ND2 3.32Å; V308-N367 WeakPolarHBondContact CG1-ND2 3.4Å; M363-N367 PolarHBondContact O-N 3.43Å; M363-N367 VanDerWaalsContact O-N 3.11Å; V364-N367 CarbonylContact O-C 3.55Å; I365-N367 VanDerWaalsContact C-N 3.33Å; I365-N367 PolarHBondContact O-N 3.41Å; N367-I369 HydrophobicContact CB-CD1 3.78Å; N367-I369 HydrophobicContact CB-CG1 3.87Å; N367-I369 VanDerWaalsContact CG-CD1 3.45Å; N367-I369 WeakPolarHBondContact ND2-CD1 3.13Å; N367-I369 PolarHBondContact O-N 3.39Å |
| 368 | D | 67.2 | Low | 63.8 | Low | 52 Ų | 52 | 61.5 Ų | 61.5 | 28% | 0.278 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -46.9 | -6.7 | 173.3 | -158.4 | 38.6 | 0 | 0 | 0 | 115.8 | F370 R372 | D368-F370 PolarHBondContact O-N 2.92Å; D368-R372 WeakPolarHBondContact OD1-CB 3.37Å; D368-R372 WeakPolarHBondContact OD1-CD 3.4Å; D368-R372 WeakPolarHBondContact OD2-CD 3.42Å |
| 369 | I | 56.2 | Low | 62.6 | Low | 31 Ų | 31 | 64.7 Ų | 64.7 | 16% | 0.159 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.2 | -56 | -177 | -56.6 | 173.1 | 0 | 0 | 0 | 112.5 | W8 L309 N367 Q373 | W8-I369 HydrophobicContact CH2-CD1 3.21Å; W8-I369 HydrophobicContact CH2-CG1 3.81Å; W8-I369 HydrophobicContact CZ2-CD1 3.6Å; W8-I369 HydrophobicContact CZ2-CG1 3.71Å; W8-I369 HydrophobicContact CZ3-CD1 3.77Å; W8-I369 HydrophobicContact CZ3-CG1 4.3Å; L309-I369 HydrophobicContact CD2-CD1 4.49Å; N367-I369 HydrophobicContact CB-CD1 3.78Å; N367-I369 HydrophobicContact CB-CG1 3.87Å; N367-I369 VanDerWaalsContact CG-CD1 3.45Å; N367-I369 WeakPolarHBondContact ND2-CD1 3.13Å; N367-I369 PolarHBondContact O-N 3.39Å; I369-Q373 WeakPolarHBondContact O-CG 3.38Å |
| 370 | F | 50.7 | Low | 61.5 | Low | 136 Ų | 136 | 73.3 Ų | 73.3 | 60% | 0.596 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | -48.6 | -170.2 | -72.7 | -75.4 | 0 | 0 | 0 | 112.7 | V364 D368 F374 | V364-F370 HydrophobicContact CG1-CB 4.21Å; D368-F370 PolarHBondContact O-N 2.92Å; F370-F374 WeakPolarHBondContact O-CB 3.48Å; F370-F374 PolarHBondContact O-N 2.86Å |
| 371 | L | 50.4 | Low | 60.2 | Low | 67 Ų | 67 | 78.7 Ų | 78.7 | 35% | 0.351 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -68 | -45.4 | -169.2 | -153.6 | 83.1 | 0 | 0 | 0 | 111.6 | F361 V364 I365 I375 | F361-L371 HydrophobicContact CE2-CD1 4.37Å; V364-L371 HydrophobicContact CG1-CB 4.4Å; I365-L371 HydrophobicContact CG1-CD2 4.22Å; L371-I375 HydrophobicContact CD2-CD1 3.95Å; L371-I375 HydrophobicContact CG-CD1 3.73Å; L371-I375 WeakPolarHBondContact O-CB 3.32Å; L371-I375 WeakPolarHBondContact O-CD1 3.39Å; L371-I375 WeakPolarHBondContact O-CG1 3.35Å; L371-I375 PolarHBondContact O-N 3.23Å |
| 372 | R | 50.1 | Low | 58.3 | Low | 110 Ų | 110 | 83.1 Ų | 83.1 | 42% | 0.415 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -79.8 | -34.5 | -177.6 | -169 | 173.3 | -174.1 | -97.9 | -1.4 | 113 | D368 F374 I375 I376 | D368-R372 WeakPolarHBondContact OD1-CB 3.37Å; D368-R372 WeakPolarHBondContact OD1-CD 3.4Å; D368-R372 WeakPolarHBondContact OD2-CD 3.42Å; R372-F374 VanDerWaalsContact C-N 3.3Å; R372-F374 PolarHBondContact O-N 2.89Å; R372-I375 PolarHBondContact O-N 3.44Å; R372-I376 HydrophobicContact CG-CD1 3.56Å; R372-I376 HydrophobicContact CG-CG1 3.88Å; R372-I376 VanDerWaalsContact CZ-CD1 3.5Å; R372-I376 WeakPolarHBondContact O-CA 3.45Å; R372-I376 WeakPolarHBondContact O-CB 3.4Å; R372-I376 WeakPolarHBondContact O-CG1 3.24Å; R372-I376 PolarHBondContact O-N 3.38Å |
| 373 | Q | 52.1 | Low | 56.8 | Low | 124 Ų | 124 | 88.5 Ų | 88.5 | 58% | 0.579 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -62.8 | -40.6 | 171.7 | -68.6 | -166.4 | 15.4 | 0 | 0 | 111.3 | I369 S377 | I369-Q373 WeakPolarHBondContact O-CG 3.38Å; Q373-S377 WeakPolarHBondContact O-CB 3.44Å; Q373-S377 PolarHBondContact O-N 2.75Å |
| 374 | F | 49.3 | Very low | 55.4 | Low | 134 Ų | 134 | 92.9 Ų | 92.9 | 59% | 0.588 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -69.1 | -44.6 | 176.1 | -165.8 | -98.7 | 0 | 0 | 0 | 112.3 | F370 R372 S377 K378 | F370-F374 WeakPolarHBondContact O-CB 3.48Å; F370-F374 PolarHBondContact O-N 2.86Å; R372-F374 VanDerWaalsContact C-N 3.3Å; R372-F374 PolarHBondContact O-N 2.89Å; F374-S377 PolarHBondContact O-N 2.95Å; F374-K378 HydrophobicContact CE1-CD 4.28Å; F374-K378 HydrophobicContact CE1-CG 4.46Å; F374-K378 PolarHBondContact O-N 3.15Å |
| 375 | I | 52.1 | Low | 53.9 | Low | 79 Ų | 79 | 99 Ų | 99 | 41% | 0.405 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.7 | -43.3 | 176.8 | -71.5 | 168.4 | 0 | 0 | 0 | 111.4 | L371 R372 K378 L379 | L371-I375 HydrophobicContact CD2-CD1 3.95Å; L371-I375 HydrophobicContact CG-CD1 3.73Å; L371-I375 WeakPolarHBondContact O-CB 3.32Å; L371-I375 WeakPolarHBondContact O-CD1 3.39Å; L371-I375 WeakPolarHBondContact O-CG1 3.35Å; L371-I375 PolarHBondContact O-N 3.23Å; R372-I375 PolarHBondContact O-N 3.44Å; I375-K378 PolarHBondContact O-N 3.09Å; I375-L379 HydrophobicContact CG2-CD1 3.64Å; I375-L379 HydrophobicContact CG2-CG 4.23Å; I375-L379 WeakPolarHBondContact O-CB 3.43Å; I375-L379 WeakPolarHBondContact O-CG 3.22Å; I375-L379 PolarHBondContact O-N 3.02Å |
| 376 | I | 54.9 | Low | 52.3 | Low | 69 Ų | 69 | 103.4 Ų | 103.4 | 35% | 0.354 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.3 | -41.9 | 175.6 | -71.6 | 176.2 | 0 | 0 | 0 | 110.6 | R372 K378 L379 K380 | R372-I376 HydrophobicContact CG-CD1 3.56Å; R372-I376 HydrophobicContact CG-CG1 3.88Å; R372-I376 VanDerWaalsContact CZ-CD1 3.5Å; R372-I376 WeakPolarHBondContact O-CA 3.45Å; R372-I376 WeakPolarHBondContact O-CB 3.4Å; R372-I376 WeakPolarHBondContact O-CG1 3.24Å; R372-I376 PolarHBondContact O-N 3.38Å; I376-K378 VanDerWaalsContact C-N 3.27Å; I376-K378 PolarHBondContact O-N 3.23Å; I376-L379 PolarHBondContact O-N 3.02Å; I376-K380 VanDerWaalsContact O-CB 3.23Å; I376-K380 WeakPolarHBondContact O-CB 3.45Å; I376-K380 PolarHBondContact O-N 3.3Å |
| 377 | S | 52.1 | Low | 50.9 | Low | 66 Ų | 66 | 108.9 Ų | 108.9 | 46% | 0.462 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -58.3 | -43 | 175.3 | -173.9 | 0 | 0 | 0 | 0 | 110.8 | Q373 F374 Q381 | Q373-S377 WeakPolarHBondContact O-CB 3.44Å; Q373-S377 PolarHBondContact O-N 2.75Å; F374-S377 PolarHBondContact O-N 2.95Å; S377-Q381 WeakPolarHBondContact O-CG 3.43Å; S377-Q381 PolarHBondContact O-N 3.21Å |
| 378 | K | 51.8 | Low | 49.7 | Very low | 130 Ų | 130 | 114.2 Ų | 114.2 | 57% | 0.565 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -70.9 | -36.8 | 175.2 | -74.9 | -143.1 | 175.6 | -170.6 | 0 | 114.4 | F374 I375 I376 Q381 R382 | F374-K378 HydrophobicContact CE1-CD 4.28Å; F374-K378 HydrophobicContact CE1-CG 4.46Å; F374-K378 PolarHBondContact O-N 3.15Å; I375-K378 PolarHBondContact O-N 3.09Å; I376-K378 VanDerWaalsContact C-N 3.27Å; I376-K378 PolarHBondContact O-N 3.23Å; K378-Q381 PolarHBondContact O-N 3.46Å; K378-R382 PolarHBondContact O-N 2.84Å |
| 379 | L | 54.5 | Low | 48.8 | Very low | 109 Ų | 109 | 117.5 Ų | 117.5 | 57% | 0.571 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -69.2 | -37.2 | 176.4 | -78.8 | 167.5 | 0 | 0 | 0 | 111.5 | I375 I376 Q381 R382 | I375-L379 HydrophobicContact CG2-CD1 3.64Å; I375-L379 HydrophobicContact CG2-CG 4.23Å; I375-L379 WeakPolarHBondContact O-CB 3.43Å; I375-L379 WeakPolarHBondContact O-CG 3.22Å; I375-L379 PolarHBondContact O-N 3.02Å; I376-L379 PolarHBondContact O-N 3.02Å; L379-Q381 PolarHBondContact O-N 3.47Å; L379-R382 PolarHBondContact O-N 3.17Å |
| 380 | K | 53.2 | Low | 48.3 | Very low | 185 Ų | 185 | 121.3 Ų | 121.3 | 80% | 0.804 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -71.3 | -21 | 175.9 | -156.9 | 177 | -174.2 | -172.8 | 0 | 112.6 | I376 | I376-K380 VanDerWaalsContact O-CB 3.23Å; I376-K380 WeakPolarHBondContact O-CB 3.45Å; I376-K380 PolarHBondContact O-N 3.3Å |
| 381 | Q | 46.8 | Very low | 48.1 | Very low | 148 Ų | 148 | 120.2 Ų | 120.2 | 69% | 0.692 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | -9.4 | 172.7 | -80.5 | -176.6 | -10.8 | 0 | 0 | 114.2 | S377 K378 L379 P383 | S377-Q381 WeakPolarHBondContact O-CG 3.43Å; S377-Q381 PolarHBondContact O-N 3.21Å; K378-Q381 PolarHBondContact O-N 3.46Å; L379-Q381 PolarHBondContact O-N 3.47Å; Q381-P383 WeakPolarHBondContact O-CD 3.47Å |
| 382 | R | 40 | Very low | 48 | Very low | 201 Ų | 201 | 126.1 Ų | 126.1 | 76% | 0.758 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -72.2 | 112.6 | 166.2 | -82.6 | -170.8 | 174.4 | -170.5 | -2.2 | 107.1 | K378 L379 S384 | K378-R382 PolarHBondContact O-N 2.84Å; L379-R382 PolarHBondContact O-N 3.17Å; R382-S384 PolarHBondContact O-N 3.49Å; R382-S384 VanDerWaalsContact O-N 3.16Å |
| 383 | P | 46.1 | Very low | 47.9 | Very low | 113 Ų | 113 | 129.8 Ų | 129.8 | 73% | 0.734 | 68% | 0.681 | S | S | * | * | trans | -59.1 | 125.7 | 169.3 | 4.4 | 6.9 | 0 | 0 | 0 | 106.1 | Q381 E385 | Q381-P383 WeakPolarHBondContact O-CD 3.47Å; P383-E385 PolarHBondContact O-N 2.96Å | ||
| 384 | S | 47.2 | Very low | 47.7 | Very low | 104 Ų | 104 | 133 Ų | 133 | 73% | 0.727 | 70% | 0.696 | S | S | * | * | trans | -51.1 | 108.7 | 160.9 | 39.3 | 0 | 0 | 0 | 0 | 106.4 | R382 T386 | R382-S384 PolarHBondContact O-N 3.49Å; R382-S384 VanDerWaalsContact O-N 3.16Å; S384-T386 PolarHBondContact O-N 2.89Å | ||
| 385 | E | 42.7 | Very low | 47.5 | Very low | 177 Ų | 177 | 135.6 Ų | 135.6 | 83% | 0.827 | 73% | 0.731 | S | S | * | * | trans | -51.1 | 108.8 | 167.6 | -77.1 | 175.1 | 167.2 | 0 | 0 | 106 | P383 V387 | P383-E385 PolarHBondContact O-N 2.96Å; E385-V387 PolarHBondContact O-N 3.19Å | ||
| 386 | T | 41.8 | Very low | 47.3 | Very low | 123 Ų | 123 | 138.5 Ų | 138.5 | 76% | 0.755 | 75% | 0.747 | S | S | * | * | trans | -62.4 | 94.5 | 169.6 | -42.5 | 0 | 0 | 0 | 0 | 105.1 | S384 T388 | S384-T386 PolarHBondContact O-N 2.89Å; T386-T388 PolarHBondContact O-N 3.3Å | ||
| 387 | V | 44.8 | Very low | 46.8 | Very low | 116 Ų | 116 | 142.1 Ų | 142.1 | 70% | 0.703 | 77% | 0.768 | S | S | * | * | trans | -64.3 | 94.7 | 168 | 178.7 | 0 | 0 | 0 | 0 | 105.3 | E385 V389 | E385-V387 PolarHBondContact O-N 3.19Å; V387-V389 VanDerWaalsContact C-N 3.32Å; V387-V389 HydrophobicContact CG1-CG2 4.14Å; V387-V389 PolarHBondContact O-N 3.22Å | ||
| 388 | T | 39.9 | Very low | 46.6 | Very low | 124 Ų | 124 | 146.3 Ų | 146.3 | 76% | 0.761 | 79% | 0.785 | S | S | * | * | trans | -63.6 | 97.4 | 163.9 | 42 | 0 | 0 | 0 | 0 | 106.8 | T386 | T386-T388 PolarHBondContact O-N 3.3Š| ||
| 389 | V | 49 | Very low | 46.3 | Very low | 121 Ų | 121 | 147.3 Ų | 147.3 | 73% | 0.733 | 80% | 0.798 | S | S | * | * | trans | -70.9 | 125 | 167.7 | -178.1 | 0 | 0 | 0 | 0 | 106.9 | V387 | V387-V389 VanDerWaalsContact C-N 3.32Å; V387-V389 HydrophobicContact CG1-CG2 4.14Å; V387-V389 PolarHBondContact O-N 3.22Å | ||
| 390 | P | 44.8 | Very low | 45.7 | Very low | 112 Ų | 112 | 149.7 Ų | 149.7 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | trans | -64.8 | 136.2 | -179.5 | -15.1 | 28.5 | 0 | 0 | 0 | 110.4 | E392 | P390-E392 PolarHBondContact O-N 3.03Å; P390-E392 VanDerWaalsContact O-N 3.12Å | ||
| 391 | S | 46.2 | Very low | 45.2 | Very low | 112 Ų | 112 | 147.3 Ų | 147.3 | 78% | 0.783 | 81% | 0.812 | S | S | * | * | trans | -62.3 | 107.2 | 170.3 | 47.4 | 0 | 0 | 0 | 0 | 109.8 | E393 | S391-E393 PolarHBondContact O-N 2.73Å; S391-E393 VanDerWaalsContact O-N 3.15Å | ||
| 392 | E | 47.9 | Very low | 45.1 | Very low | 192 Ų | 192 | 147.3 Ų | 147.3 | 90% | 0.897 | 82% | 0.821 | S | S | * | * | trans | -69.1 | 103.7 | 160.6 | -77 | -177.8 | 156.1 | 0 | 0 | 107.6 | P390 Q394 | P390-E392 PolarHBondContact O-N 3.03Å; P390-E392 VanDerWaalsContact O-N 3.12Å; E392-Q394 PolarHBondContact O-N 3.24Å | ||
| 393 | E | 50 | Low | 45.5 | Very low | 187 Ų | 187 | 143.2 Ų | 143.2 | 87% | 0.874 | 83% | 0.826 | S | S | * | * | trans | -58.5 | 121.3 | 166.4 | -81.9 | 176.6 | 143.4 | 0 | 0 | 108.8 | S391 S395 | S391-E393 PolarHBondContact O-N 2.73Å; S391-E393 VanDerWaalsContact O-N 3.15Å; E393-S395 PolarHBondContact O-N 2.93Å | ||
| 394 | Q | 45.9 | Very low | 45.5 | Very low | 191 Ų | 191 | 145.7 Ų | 145.7 | 89% | 0.893 | 83% | 0.833 | S | S | * | * | trans | -63.2 | 129.7 | 173.5 | -71.1 | 177.7 | -36.7 | 0 | 0 | 109.8 | E392 | E392-Q394 PolarHBondContact O-N 3.24Š| ||
| 395 | S | 45.7 | Very low | 45.3 | Very low | 189 Ų | 189 | 149.5 Ų | 149.5 | 100% | 1.322 | 84% | 0.843 | S | S | * | * | trans | -56 | 0 | 168.9 | 59.5 | 0 | 0 | 0 | 0 | 113.5 | E393 | E393-S395 PolarHBondContact O-N 2.93Š|
Retrieved 395 of 395 residues in 189.1 ms
(Link to these results)