| 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 | 34.8 | Very low | 33 | Very low | 251 Ų | 251 | 151.8 Ų | 151.8 | 100% | 1.236 | 82% | 0.82 | S | S | * | * | 0 | 90.3 | 0 | -75.9 | 172 | 156.2 | 0 | 0 | 106.1 | |||||
| 2 | A | 27.9 | Very low | 36 | Very low | 90 Ų | 90 | 146.1 Ų | 146.1 | 74% | 0.744 | 78% | 0.782 | S | S | * | * | trans | -141.3 | 109.3 | -172.2 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 3 | N | 32.4 | Very low | 40 | Very low | 166 Ų | 166 | 145.2 Ų | 145.2 | 89% | 0.888 | 77% | 0.77 | S | S | * | * | trans | 156.2 | 69.6 | 160.9 | -88.5 | -3.7 | 0 | 0 | 0 | 110.6 | ||||
| 4 | E | 32.8 | Very low | 44 | Very low | 187 Ų | 187 | 136.9 Ų | 136.9 | 87% | 0.874 | 72% | 0.724 | S | S | * | * | trans | -155.8 | 86.7 | 159.3 | -76.7 | -165.2 | 159 | 0 | 0 | 107.7 | ||||
| 5 | D | 32.3 | Very low | 47.6 | Very low | 155 Ų | 155 | 128.4 Ų | 128.4 | 83% | 0.829 | 68% | 0.679 | S | S | * | * | trans | -159.3 | 46.5 | 169.1 | -99.9 | -27.6 | 0 | 0 | 0 | 111.5 | K7 | D5-K7 PolarHBondContact O-N 3.15Š| ||
| 6 | S | 30.5 | Very low | 50.8 | Low | 113 Ų | 113 | 120.6 Ų | 120.6 | 79% | 0.79 | 64% | 0.638 | S | S | * | * | trans | -88.3 | 86.6 | 158.4 | 19.5 | 0 | 0 | 0 | 0 | 107.6 | T8 | S6-T8 PolarHBondContact O-N 3.4Š| ||
| 7 | K | 31 | Very low | 53.6 | Low | 161 Ų | 161 | 113.5 Ų | 113.5 | 70% | 0.7 | 60% | 0.6 | S | S | * | * | trans | -54.1 | 94.1 | 174.4 | -79.3 | 178.3 | 178.3 | 172.3 | 0 | 110.5 | D5 F9 | D5-K7 PolarHBondContact O-N 3.15Å; K7-F9 PolarHBondContact O-N 3.19Å | ||
| 8 | T | 28.4 | Very low | 56.1 | Low | 124 Ų | 124 | 107.2 Ų | 107.2 | 76% | 0.761 | 57% | 0.567 | S | S | * | * | trans | -66.9 | 106.9 | 161.5 | 37.1 | 0 | 0 | 0 | 0 | 107.3 | S6 V10 | S6-T8 PolarHBondContact O-N 3.4Å; T8-V10 VanDerWaalsContact C-N 3.29Å; T8-V10 PolarHBondContact O-N 3.28Å | ||
| 9 | F | 37.4 | Very low | 58.3 | Low | 155 Ų | 155 | 101.5 Ų | 101.5 | 68% | 0.68 | 54% | 0.537 | S | S | * | . | trans | -59.6 | 100.6 | 162.4 | -81.9 | -88.3 | 0 | 0 | 0 | 106.8 | K7 N11 P228 | K7-F9 PolarHBondContact O-N 3.19Å; F9-N11 PolarHBondContact O-N 3.43Å; F9-P228 HydrophobicContact CE1-CG 3.99Å; F9-P228 HydrophobicContact CZ-CG 4.44Å | ||
| 10 | V | 32.9 | Very low | 60.3 | Low | 120 Ų | 120 | 96.5 Ų | 96.5 | 73% | 0.727 | 51% | 0.51 | S | S | * | . | trans | -44.1 | 129.5 | 168.8 | 176.7 | 0 | 0 | 0 | 0 | 106.8 | T8 K12 | T8-V10 VanDerWaalsContact C-N 3.29Å; T8-V10 PolarHBondContact O-N 3.28Å; V10-K12 PolarHBondContact O-N 3.38Å | ||
| 11 | N | 42.9 | Very low | 62.1 | Low | 148 Ų | 148 | 92 Ų | 92 | 79% | 0.791 | 49% | 0.487 | S | S | * | . | trans | -66.6 | 67.4 | -166.1 | -157 | 20.6 | 0 | 0 | 0 | 111.1 | F9 | F9-N11 PolarHBondContact O-N 3.43Š| ||
| 12 | K | 68.8 | Low | 65 | Low | 83 Ų | 83 | 80 Ų | 80 | 36% | 0.361 | 43% | 0.428 | S | S | . | . | P | Polyproline II helix | trans | -65 | 150.1 | 178.1 | -69.2 | -179 | 170.2 | -166.8 | 0 | 107.8 | V10 D164 R264 | V10-K12 PolarHBondContact O-N 3.38Å; K12-D164 WeakPolarHBondContact CE-OD1 3.42Å; K12-D164 PolarHBondContact NZ-O 3.03Å; K12-D164 IonicContact NZ-OD1 3.53Å; K12-D164 PolarHBondContact NZ-OD1 2.75Å; K12-R264 VanDerWaalsContact C-NH1 3.34Å; K12-R264 PolarHBondContact O-NH1 3.2Å; K12-R264 PolarHBondContact O-NH2 2.73Å |
| 13 | E | 88.3 | Confident | 68.1 | Low | 135 Ų | 135 | 80.2 Ų | 80.2 | 63% | 0.631 | 41% | 0.41 | S | S | * | . | P | Polyproline II helix | trans | -64.1 | 141.5 | -173.4 | -166.9 | 177.5 | 175 | 0 | 0 | 113.1 | L15 N45 R264 | E13-L15 PolarHBondContact O-N 2.98Å; E13-N45 VanDerWaalsContact CD-ND2 3.26Å; E13-N45 PolarHBondContact OE1-ND2 2.94Å; E13-R264 PolarHBondContact O-NH2 2.97Å |
| 14 | F | 96.1 | Very high | 70.9 | Confident | 28 Ų | 28 | 73.6 Ų | 73.6 | 12% | 0.123 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -74.3 | 123.6 | 178.1 | -177.8 | -85.9 | 0 | 0 | 0 | 110.1 | T16 N45 R258 L263 R264 V266 W287 | F14-T16 VanDerWaalsContact CD1-OG1 3.27Å; F14-T16 WeakPolarHBondContact CD1-OG1 3.36Å; F14-T16 PolarHBondContact O-N 3.27Å; F14-N45 PolarHBondContact O-ND2 3.47Å; F14-N45 PolarHBondContact O-OD1 3.04Å; F14-R258 HydrophobicContact CD2-CG 4.06Å; F14-R258 HydrophobicContact CE2-CB 3.98Å; F14-R258 HydrophobicContact CE2-CG 3.82Å; F14-R258 HydrophobicContact CZ-CB 4.16Å; F14-R258 HydrophobicContact CZ-CG 4.18Å; F14-L263 HydrophobicContact CE2-CB 3.95Å; F14-L263 WeakPolarHBondContact CE2-O 3.44Å; F14-L263 HydrophobicContact CZ-CB 4.37Å; F14-R264 WeakPolarHBondContact CD2-O 3.49Å; F14-V266 HydrophobicContact CE1-CG2 4.49Å; F14-V266 HydrophobicContact CZ-CG2 4.08Å; F14-W287 HydrophobicContact CE1-CZ3 4.47Å; F14-W287 HydrophobicContact CZ-CZ3 4.37Å |
| 15 | L | 97.7 | Very high | 73.8 | Confident | 10 Ų | 10 | 75 Ų | 75 | 5% | 0.052 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 114.2 | -178.2 | -53.1 | 176.3 | 0 | 0 | 0 | 109.4 | E13 A46 L86 I88 V165 V230 R264 G265 V266 | E13-L15 PolarHBondContact O-N 2.98Å; L15-A46 HydrophobicContact CB-CB 3.99Å; L15-A46 HydrophobicContact CD2-CB 4.17Å; L15-L86 HydrophobicContact CD2-CD2 4.12Å; L15-I88 HydrophobicContact CD1-CD1 4.46Å; L15-V165 HydrophobicContact CD1-CG1 4.11Å; L15-V230 HydrophobicContact CD1-CG2 4.29Å; L15-R264 PolarHBondContact N-O 3.02Å; L15-R264 VanDerWaalsContact N-O 3.07Å; L15-G265 CarbonylContact O-C 3.59Å; L15-G265 WeakPolarHBondContact O-CA 3.42Å; L15-V266 PolarHBondContact O-N 3.38Å |
| 16 | T | 98.2 | Very high | 76.8 | Confident | 3 Ų | 3 | 69.3 Ų | 69.3 | 2% | 0.018 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 120 | 172.6 | -50.3 | 0 | 0 | 0 | 0 | 108 | F14 M44 N45 A46 V266 L284 S288 | F14-T16 VanDerWaalsContact CD1-OG1 3.27Å; F14-T16 WeakPolarHBondContact CD1-OG1 3.36Å; F14-T16 PolarHBondContact O-N 3.27Å; T16-M44 HydrophobicContact CG2-CE 4.42Å; T16-M44 HydrophobicContact CG2-CG 4.08Å; T16-M44 CarbonylContact O-C 3.53Å; T16-M44 WeakPolarHBondContact O-CA 3.25Å; T16-M44 WeakPolarHBondContact O-CB 3.49Å; T16-N45 PolarHBondContact N-OD1 3.46Å; T16-N45 PolarHBondContact O-N 3.31Å; T16-N45 PolarHBondContact O-OD1 3.01Å; T16-A46 PolarHBondContact O-N 3.19Å; T16-V266 WeakPolarHBondContact CA-O 3.34Å; T16-L284 HydrophobicContact CG2-CD2 4.44Å; T16-L284 HydrophobicContact CG2-CG 4.13Å; T16-S288 WeakPolarHBondContact CG2-OG 3.49Å; T16-S288 PolarHBondContact OG1-OG 3.47Å |
| 17 | G | 98.4 | Very high | 80 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.6 | -172.1 | -159.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | M44 A46 V266 L267 T268 | G17-M44 VanDerWaalsContact CA-CE 3.41Å; G17-M44 VanDerWaalsContact O-CE 3.3Å; G17-M44 WeakPolarHBondContact O-CE 3.34Å; G17-A46 CarbonylContact C-O 3.44Å; G17-A46 WeakPolarHBondContact CA-O 3.33Å; G17-V266 PolarHBondContact N-O 3.39Å; G17-L267 WeakPolarHBondContact O-CA 3.39Å; G17-T268 PolarHBondContact O-N 2.93Å |
| 18 | V | 98.8 | Very high | 83 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 136 | 176.9 | -179.6 | 0 | 0 | 0 | 0 | 108.1 | W27 L35 M39 M44 A46 Y47 L48 T268 P270 F281 | V18-W27 HydrophobicContact CG1-CH2 3.84Å; V18-W27 HydrophobicContact CG1-CZ3 3.9Å; V18-L35 HydrophobicContact CB-CD2 4.45Å; V18-L35 HydrophobicContact CG1-CD2 4.34Å; V18-L35 HydrophobicContact CG2-CD1 4.09Å; V18-M39 HydrophobicContact CB-SD 4.49Å; V18-M39 HydrophobicContact CG2-SD 4.26Å; V18-M44 HydrophobicContact CG2-CE 3.9Å; V18-A46 PolarHBondContact N-O 3.08Å; V18-A46 VanDerWaalsContact N-O 3.1Å; V18-Y47 WeakPolarHBondContact O-CA 3.37Å; V18-L48 PolarHBondContact O-N 3.33Å; V18-T268 WeakPolarHBondContact CA-O 3.48Å; V18-T268 HydrophobicContact CG2-CG2 4.17Å; V18-P270 HydrophobicContact CG1-CG 4.27Å; V18-F281 HydrophobicContact CB-CE1 4.38Å; V18-F281 HydrophobicContact CG1-CE1 3.98Å; V18-F281 HydrophobicContact CG1-CZ 4.27Å; V18-F281 HydrophobicContact CG2-CD1 3.64Å; V18-F281 HydrophobicContact CG2-CE1 3.43Å; V18-F281 VanDerWaalsContact CG2-CE1 3.43Å; V18-F281 HydrophobicContact CG2-CG 4.41Å; V18-F281 HydrophobicContact CG2-CZ 4.05Å |
| 19 | V | 98.7 | Very high | 86.2 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 125.2 | 162.4 | 52.7 | 0 | 0 | 0 | 0 | 107.4 | G21 L48 A50 W232 L267 T268 N269 | V19-G21 VanDerWaalsContact C-N 3.33Å; V19-G21 PolarHBondContact O-N 3.03Å; V19-L48 HydrophobicContact CB-CB 3.92Å; V19-L48 HydrophobicContact CB-CD2 4.03Å; V19-L48 HydrophobicContact CB-CG 4.28Å; V19-L48 HydrophobicContact CG2-CB 3.92Å; V19-L48 HydrophobicContact CG2-CD2 3.57Å; V19-L48 HydrophobicContact CG2-CG 3.77Å; V19-A50 HydrophobicContact CG2-CB 4.13Å; V19-W232 HydrophobicContact CG1-CD2 3.97Å; V19-W232 HydrophobicContact CG1-CG 4.2Å; V19-W232 HydrophobicContact CG1-CZ2 4.33Å; V19-W232 HydrophobicContact CG2-CD2 4.27Å; V19-W232 HydrophobicContact CG2-CE3 4.1Å; V19-W232 HydrophobicContact CG2-CH2 3.64Å; V19-W232 HydrophobicContact CG2-CZ2 3.81Å; V19-W232 HydrophobicContact CG2-CZ3 3.8Å; V19-L267 HydrophobicContact CB-CB 4.24Å; V19-L267 HydrophobicContact CG1-CB 4.18Å; V19-T268 WeakPolarHBondContact CG1-O 3.19Å; V19-T268 PolarHBondContact N-O 3.5Å; V19-N269 HydrophobicContact CG1-CB 3.69Å; V19-N269 PolarHBondContact O-OD1 3.48Å |
| 20 | E | 98.6 | Very high | 89 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 85.1 | 166.1 | -176.3 | -178.9 | 156.9 | 0 | 0 | 106 | F22 P26 W27 R32 Y47 L48 A50 P51 | E20-F22 HydrophobicContact CG-CE1 3.83Å; E20-F22 HydrophobicContact CG-CZ 3.89Å; E20-P26 WeakPolarHBondContact OE1-CB 3.4Å; E20-W27 HydrophobicContact CB-CE3 4.09Å; E20-W27 HydrophobicContact CB-CZ3 4.01Å; E20-W27 HydrophobicContact CG-CD2 4.23Å; E20-W27 HydrophobicContact CG-CE3 3.84Å; E20-W27 HydrophobicContact CG-CZ3 4.18Å; E20-W27 PolarHBondContact OE1-N 2.96Å; E20-R32 IonicContact OE1-CZ 3.24Å; E20-R32 IonicContact OE1-NE 3.09Å; E20-R32 IonicContact OE1-NH2 2.67Å; E20-R32 PolarHBondContact OE1-NH2 3.43Å; E20-R32 IonicContact OE2-CZ 3.57Å; E20-R32 IonicContact OE2-NE 3.54Å; E20-R32 PolarHBondContact OE2-NE 3.21Å; E20-R32 IonicContact OE2-NH2 2.65Å; E20-Y47 HydrophobicContact CB-CE2 3.98Å; E20-Y47 PolarHBondContact OE2-OH 3.37Å; E20-L48 PolarHBondContact N-O 3.41Å; E20-A50 CarbonylContact O-C 3.23Å; E20-A50 VanDerWaalsContact O-CA 3.28Å; E20-A50 WeakPolarHBondContact O-CA 3.39Å; E20-A50 PolarHBondContact O-N 3.01Å; E20-A50 VanDerWaalsContact O-N 3.11Å; E20-P51 HydrophobicContact CG-CB 4.24Å; E20-P51 WeakPolarHBondContact O-CA 3.42Å |
| 21 | G | 97 | Very high | 92 | Very high | 2 Ų | 2 | 51.4 Ų | 51.4 | 2% | 0.021 | 25% | 0.251 | C | S | . | . | trans | -130.1 | 8.6 | -166.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | V19 A50 K52 N269 | V19-G21 VanDerWaalsContact C-N 3.33Å; V19-G21 PolarHBondContact O-N 3.03Å; G21-A50 WeakPolarHBondContact CA-O 3.48Å; G21-K52 WeakPolarHBondContact O-CG 3.19Å; G21-K52 PolarHBondContact O-NZ 3.47Å; G21-K52 VanDerWaalsContact O-NZ 3.15Å; G21-N269 PolarHBondContact N-OD1 3.19Å | ||
| 22 | F | 95.7 | Very high | 94.7 | Very high | 1 Ų | 1 | 45.7 Ų | 45.7 | 0% | 0.004 | 22% | 0.219 | C | C | . | . | trans | -79.2 | 159.5 | 179.8 | 53 | -100.4 | 0 | 0 | 0 | 112.6 | E20 W27 K52 D239 N269 C272 | E20-F22 HydrophobicContact CG-CE1 3.83Å; E20-F22 HydrophobicContact CG-CZ 3.89Å; F22-W27 HydrophobicContact CE1-CD2 4.26Å; F22-W27 AromaticContact CE1-CE2 3.66Å; F22-W27 HydrophobicContact CE1-CH2 4.11Å; F22-W27 AromaticContact CE1-CZ2 3.59Å; F22-W27 HydrophobicContact CE1-CZ2 3.59Å; F22-W27 AromaticContact CE1-NE1 3.93Å; F22-W27 AromaticContact CZ-CD1 3.93Å; F22-W27 HydrophobicContact CZ-CD2 4.13Å; F22-W27 AromaticContact CZ-CE2 3.71Å; F22-W27 HydrophobicContact CZ-CG 4.28Å; F22-W27 HydrophobicContact CZ-CZ2 4.14Å; F22-W27 AromaticContact CZ-NE1 3.57Å; F22-K52 PolarHBondContact O-N 2.94Å; F22-D239 VanDerWaalsContact CA-OD2 3.32Å; F22-D239 WeakPolarHBondContact CA-OD2 3.49Å; F22-D239 HydrophobicContact CB-CB 4.02Å; F22-N269 PolarHBondContact N-OD1 3.1Å; F22-C272 HydrophobicContact CD2-CB 4.48Å | ||
| 23 | Y | 93.5 | Very high | 96 | Very high | 94 Ų | 94 | 46.2 Ų | 46.2 | 37% | 0.369 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -80.4 | 146.5 | 166.2 | -67.3 | -87 | 0 | 0 | 0 | 110.9 | K52 D129 D239 | Y23-K52 HydrophobicContact CD1-CB 3.6Å; Y23-K52 HydrophobicContact CD1-CG 4Å; Y23-K52 HydrophobicContact CD2-CG 4.22Å; Y23-K52 HydrophobicContact CE1-CB 3.76Å; Y23-K52 HydrophobicContact CE1-CD 4.2Å; Y23-K52 HydrophobicContact CE1-CG 3.89Å; Y23-K52 HydrophobicContact CE2-CG 4.11Å; Y23-K52 HydrophobicContact CG-CB 4.08Å; Y23-K52 HydrophobicContact CG-CG 4.17Å; Y23-D129 WeakPolarHBondContact CE2-OD2 3.39Å; Y23-D129 WeakPolarHBondContact OH-CB 3.23Å; Y23-D129 PolarHBondContact OH-OD2 3.03Å; Y23-D239 PolarHBondContact N-OD2 3.22Å; Y23-D239 WeakPolarHBondContact O-CB 3.48Å |
| 24 | G | 91.4 | Very high | 96.4 | Very high | 26 Ų | 26 | 42 Ų | 42 | 27% | 0.268 | 20% | 0.201 | S | C | . | . | S | Bend | trans | 109.6 | -173.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | P26 D53 | G24-P26 VanDerWaalsContact O-CD 3.26Å; G24-P26 WeakPolarHBondContact O-CD 3.28Å; G24-P26 VanDerWaalsContact O-N 3.16Å; G24-D53 WeakPolarHBondContact CA-OD2 3.47Å; G24-D53 PolarHBondContact N-OD2 3.5Å |
| 25 | R | 93.3 | Very high | 96.5 | Very high | 216 Ų | 216 | 40.7 Ų | 40.7 | 82% | 0.815 | 20% | 0.196 | S | C | * | . | S | Bend | trans | -56.7 | 118.2 | -174.3 | -178.4 | -174.8 | -65.1 | -84.2 | -1.2 | 110.9 | ||
| 26 | P | 95.6 | Very high | 96.5 | Very high | 37 Ų | 37 | 40.3 Ų | 40.3 | 24% | 0.24 | 19% | 0.193 | C | C | . | . | P | Polyproline II helix | trans | -61.3 | 157.3 | 174.7 | -22.8 | 34.3 | 0 | 0 | 0 | 112.3 | E20 G24 P51 | E20-P26 WeakPolarHBondContact OE1-CB 3.4Å; G24-P26 VanDerWaalsContact O-CD 3.26Å; G24-P26 WeakPolarHBondContact O-CD 3.28Å; G24-P26 VanDerWaalsContact O-N 3.16Å; P26-P51 HydrophobicContact CB-CB 3.86Å; P26-P51 HydrophobicContact CB-CG 4.48Å; P26-P51 HydrophobicContact CG-CB 3.93Å |
| 27 | W | 97.2 | Very high | 96.5 | Very high | 8 Ų | 8 | 44.5 Ų | 44.5 | 3% | 0.03 | 21% | 0.209 | C | C | . | . | P | Polyproline II helix | trans | -68.6 | 144.2 | 175.9 | -66.6 | -29.4 | 0 | 0 | 0 | 111.7 | V18 E20 F22 Q31 R32 L35 P270 C272 F274 F281 | V18-W27 HydrophobicContact CG1-CH2 3.84Å; V18-W27 HydrophobicContact CG1-CZ3 3.9Å; E20-W27 HydrophobicContact CB-CE3 4.09Å; E20-W27 HydrophobicContact CB-CZ3 4.01Å; E20-W27 HydrophobicContact CG-CD2 4.23Å; E20-W27 HydrophobicContact CG-CE3 3.84Å; E20-W27 HydrophobicContact CG-CZ3 4.18Å; E20-W27 PolarHBondContact OE1-N 2.96Å; F22-W27 HydrophobicContact CE1-CD2 4.26Å; F22-W27 AromaticContact CE1-CE2 3.66Å; F22-W27 HydrophobicContact CE1-CH2 4.11Å; F22-W27 AromaticContact CE1-CZ2 3.59Å; F22-W27 HydrophobicContact CE1-CZ2 3.59Å; F22-W27 AromaticContact CE1-NE1 3.93Å; F22-W27 AromaticContact CZ-CD1 3.93Å; F22-W27 HydrophobicContact CZ-CD2 4.13Å; F22-W27 AromaticContact CZ-CE2 3.71Å; F22-W27 HydrophobicContact CZ-CG 4.28Å; F22-W27 HydrophobicContact CZ-CZ2 4.14Å; F22-W27 AromaticContact CZ-NE1 3.57Å; W27-Q31 HydrophobicContact CB-CB 4.15Å; W27-R32 HydrophobicContact CB-CG 4.11Å; W27-R32 PolarHBondContact O-NE 3.46Å; W27-R32 PolarHBondContact O-NH1 2.98Å; W27-R32 PolarHBondContact O-NH2 2.73Å; W27-R32 VanDerWaalsContact O-NH2 3.11Å; W27-L35 HydrophobicContact CE3-CD2 4.11Å; W27-L35 HydrophobicContact CZ3-CD2 3.69Å; W27-P270 HydrophobicContact CH2-CG 3.63Å; W27-P270 HydrophobicContact CZ2-CG 3.85Å; W27-C272 PolarHBondContact NE1-O 3.28Å; W27-F274 HydrophobicContact CD2-CD2 4.06Å; W27-F274 HydrophobicContact CE3-CD2 4.49Å; W27-F274 HydrophobicContact CG-CD2 4.35Å; W27-F274 HydrophobicContact CZ2-CD2 4.46Å; W27-F281 HydrophobicContact CH2-CZ 4.25Å |
| 28 | T | 95.2 | Very high | 96.4 | Very high | 72 Ų | 72 | 44.9 Ų | 44.9 | 44% | 0.442 | 21% | 0.21 | S | C | . | . | P | Polyproline II helix | trans | -73 | 160.5 | 177.3 | 63.3 | 0 | 0 | 0 | 0 | 111.7 | Q31 R32 | T28-Q31 WeakPolarHBondContact O-CB 3.27Å; T28-Q31 PolarHBondContact O-N 2.75Å; T28-Q31 VanDerWaalsContact O-N 3.09Å; T28-Q31 WeakPolarHBondContact OG1-CG 3.46Å; T28-Q31 PolarHBondContact OG1-OE1 3.46Å; T28-R32 PolarHBondContact O-N 2.6Å |
| 29 | Y | 94.6 | Very high | 96.4 | Very high | 85 Ų | 85 | 44.9 Ų | 44.9 | 33% | 0.333 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -52.8 | -46.5 | 176.6 | 175.6 | -90.1 | 0 | 0 | 0 | 113.7 | Q31 R32 K33 F75 L76 | Y29-Q31 VanDerWaalsContact C-N 3.32Å; Y29-Q31 PolarHBondContact O-N 3.04Å; Y29-R32 PolarHBondContact O-N 3.21Å; Y29-K33 PolarHBondContact O-N 3.29Å; Y29-F75 HydrophobicContact CE2-CB 3.99Å; Y29-L76 HydrophobicContact CD2-CD1 4.28Å; Y29-L76 HydrophobicContact CE2-CB 4.42Å; Y29-L76 HydrophobicContact CE2-CD1 4.42Å |
| 30 | P | 95.5 | Very high | 96.3 | Very high | 90 Ų | 90 | 49.2 Ų | 49.2 | 58% | 0.584 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -60 | -37.9 | 175.7 | -25.5 | 35.9 | 0 | 0 | 0 | 113.9 | K33 E34 | P30-K33 PolarHBondContact O-N 3.13Å; P30-E34 WeakPolarHBondContact O-CB 3.21Å; P30-E34 PolarHBondContact O-N 2.95Å |
| 31 | Q | 97.1 | Very high | 96.2 | Very high | 41 Ų | 41 | 55.4 Ų | 55.4 | 19% | 0.192 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.9 | -43.6 | 176.6 | -73.7 | 166.8 | -46.8 | 0 | 0 | 111.1 | W27 T28 Y29 K33 E34 L35 F274 | W27-Q31 HydrophobicContact CB-CB 4.15Å; T28-Q31 WeakPolarHBondContact O-CB 3.27Å; T28-Q31 PolarHBondContact O-N 2.75Å; T28-Q31 VanDerWaalsContact O-N 3.09Å; T28-Q31 WeakPolarHBondContact OG1-CG 3.46Å; T28-Q31 PolarHBondContact OG1-OE1 3.46Å; Y29-Q31 VanDerWaalsContact C-N 3.32Å; Y29-Q31 PolarHBondContact O-N 3.04Å; Q31-K33 PolarHBondContact O-N 2.8Å; Q31-E34 PolarHBondContact O-N 3.49Å; Q31-L35 WeakPolarHBondContact O-CB 3.49Å; Q31-L35 PolarHBondContact O-N 3.47Å; Q31-F274 HydrophobicContact CB-CD1 4.19Å; Q31-F274 HydrophobicContact CB-CD2 3.97Å; Q31-F274 HydrophobicContact CB-CE1 4.4Å; Q31-F274 HydrophobicContact CB-CE2 4.21Å; Q31-F274 HydrophobicContact CB-CG 3.97Å; Q31-F274 HydrophobicContact CB-CZ 4.41Å; Q31-F274 HydrophobicContact CG-CB 4.18Å; Q31-F274 HydrophobicContact CG-CD1 3.92Å; Q31-F274 HydrophobicContact CG-CD2 4.41Å; Q31-F274 HydrophobicContact CG-CE1 4.45Å; Q31-F274 HydrophobicContact CG-CG 3.89Å; Q31-F274 WeakPolarHBondContact O-CE2 3.2Å; Q31-F274 WeakPolarHBondContact O-CZ 3.21Å |
| 32 | R | 98.2 | Very high | 96.2 | Very high | 29 Ų | 29 | 56.2 Ų | 56.2 | 11% | 0.109 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.2 | -36.9 | 176.7 | -63.4 | 175.6 | -180 | 143.5 | 0.5 | 112.5 | E20 W27 T28 Y29 L35 F36 Y47 L76 | E20-R32 IonicContact OE1-CZ 3.24Å; E20-R32 IonicContact OE1-NE 3.09Å; E20-R32 IonicContact OE1-NH2 2.67Å; E20-R32 PolarHBondContact OE1-NH2 3.43Å; E20-R32 IonicContact OE2-CZ 3.57Å; E20-R32 IonicContact OE2-NE 3.54Å; E20-R32 PolarHBondContact OE2-NE 3.21Å; E20-R32 IonicContact OE2-NH2 2.65Å; W27-R32 HydrophobicContact CB-CG 4.11Å; W27-R32 PolarHBondContact O-NE 3.46Å; W27-R32 PolarHBondContact O-NH1 2.98Å; W27-R32 PolarHBondContact O-NH2 2.73Å; W27-R32 VanDerWaalsContact O-NH2 3.11Å; T28-R32 PolarHBondContact O-N 2.6Å; Y29-R32 PolarHBondContact O-N 3.21Å; R32-L35 VanDerWaalsContact O-CB 3.29Å; R32-L35 WeakPolarHBondContact O-CB 3.27Å; R32-L35 PolarHBondContact O-N 3.27Å; R32-F36 HydrophobicContact CB-CZ 4.43Å; R32-F36 WeakPolarHBondContact O-CD2 3.37Å; R32-F36 VanDerWaalsContact O-CG 3.26Å; R32-F36 WeakPolarHBondContact O-CG 3.39Å; R32-F36 PolarHBondContact O-N 3.29Å; R32-F36 VanDerWaalsContact O-N 3.12Å; R32-Y47 PolarHBondContact NE-OH 3.43Å; R32-L76 HydrophobicContact CB-CD1 3.6Å; R32-L76 HydrophobicContact CG-CD1 4.41Å |
| 33 | K | 96.9 | Very high | 96.2 | Very high | 94 Ų | 94 | 58.5 Ų | 58.5 | 41% | 0.409 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.9 | -44.7 | 172.6 | 179.8 | 166.9 | 178.3 | 147.5 | 0 | 111.9 | Y29 P30 Q31 L35 F36 R37 E79 | Y29-K33 PolarHBondContact O-N 3.29Å; P30-K33 PolarHBondContact O-N 3.13Å; Q31-K33 PolarHBondContact O-N 2.8Å; K33-L35 VanDerWaalsContact C-N 3.31Å; K33-L35 PolarHBondContact O-N 2.99Å; K33-F36 PolarHBondContact O-N 3.42Å; K33-R37 PolarHBondContact O-N 3.1Å; K33-E79 WeakPolarHBondContact CD-OE2 3.47Å; K33-E79 WeakPolarHBondContact CE-OE2 3.44Å; K33-E79 IonicContact NZ-OE1 3.89Å; K33-E79 PolarHBondContact NZ-OE1 3.38Å; K33-E79 IonicContact NZ-OE2 3.16Å; K33-E79 PolarHBondContact NZ-OE2 3.07Å |
| 34 | E | 96.5 | Very high | 96.4 | Very high | 47 Ų | 47 | 54.2 Ų | 54.2 | 22% | 0.22 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.2 | -36.5 | 175.4 | 174.6 | 59.9 | -172 | 0 | 0 | 112.1 | P30 Q31 R37 R38 F274 | P30-E34 WeakPolarHBondContact O-CB 3.21Å; P30-E34 PolarHBondContact O-N 2.95Å; Q31-E34 PolarHBondContact O-N 3.49Å; E34-R37 WeakPolarHBondContact O-CB 3.49Å; E34-R37 PolarHBondContact O-N 2.72Å; E34-R37 IonicContact OE1-CZ 3.56Å; E34-R37 IonicContact OE1-NE 2.88Å; E34-R37 IonicContact OE1-NH2 2.75Å; E34-R37 PolarHBondContact OE1-NH2 2.9Å; E34-R37 IonicContact OE2-CZ 2.92Å; E34-R37 IonicContact OE2-NE 3.74Å; E34-R37 PolarHBondContact OE2-NE 2.77Å; E34-R37 IonicContact OE2-NH2 2.77Å; E34-R37 PolarHBondContact OE2-NH2 2.99Å; E34-R38 WeakPolarHBondContact O-CG 3.45Å; E34-R38 PolarHBondContact O-N 3.24Å; E34-R38 IonicContact OE1-CZ 2.63Å; E34-R38 IonicContact OE1-NE 3.24Å; E34-R38 PolarHBondContact OE1-NE 2.83Å; E34-R38 IonicContact OE1-NH2 3.84Å; E34-R38 PolarHBondContact OE1-NH2 3.02Å; E34-F274 HydrophobicContact CB-CE1 4.21Å; E34-F274 HydrophobicContact CB-CZ 4.06Å; E34-F274 HydrophobicContact CG-CE1 3.78Å; E34-F274 HydrophobicContact CG-CZ 3.87Å |
| 35 | L | 98.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -56.2 | -52.2 | 173.6 | 179.8 | 60.7 | 0 | 0 | 0 | 111 | V18 W27 Q31 R32 K33 R37 R38 M39 Y47 F274 F281 | V18-L35 HydrophobicContact CB-CD2 4.45Å; V18-L35 HydrophobicContact CG1-CD2 4.34Å; V18-L35 HydrophobicContact CG2-CD1 4.09Å; W27-L35 HydrophobicContact CE3-CD2 4.11Å; W27-L35 HydrophobicContact CZ3-CD2 3.69Å; Q31-L35 WeakPolarHBondContact O-CB 3.49Å; Q31-L35 PolarHBondContact O-N 3.47Å; R32-L35 VanDerWaalsContact O-CB 3.29Å; R32-L35 WeakPolarHBondContact O-CB 3.27Å; R32-L35 PolarHBondContact O-N 3.27Å; K33-L35 VanDerWaalsContact C-N 3.31Å; K33-L35 PolarHBondContact O-N 2.99Å; L35-R37 VanDerWaalsContact C-N 3.29Å; L35-R37 PolarHBondContact O-N 3.38Å; L35-R38 PolarHBondContact O-N 2.9Å; L35-R38 VanDerWaalsContact O-N 3.15Å; L35-M39 HydrophobicContact CD1-CG 4.11Å; L35-M39 HydrophobicContact CD1-SD 3.97Å; L35-M39 HydrophobicContact CD2-SD 4.28Å; L35-M39 HydrophobicContact CG-CG 4.31Å; L35-M39 HydrophobicContact CG-SD 3.7Å; L35-M39 WeakPolarHBondContact O-CB 3.37Å; L35-M39 VanDerWaalsContact O-CG 3.29Å; L35-M39 WeakPolarHBondContact O-CG 3.21Å; L35-M39 PolarHBondContact O-N 3.24Å; L35-Y47 HydrophobicContact CD2-CD2 3.66Å; L35-Y47 HydrophobicContact CD2-CE2 3.65Å; L35-F274 HydrophobicContact CB-CE2 3.91Å; L35-F274 HydrophobicContact CB-CZ 4.24Å; L35-F274 HydrophobicContact CD1-CE2 4.38Å; L35-F281 HydrophobicContact CD1-CD2 4.2Å; L35-F281 HydrophobicContact CD1-CE2 3.58Å; L35-F281 HydrophobicContact CD1-CZ 3.8Å |
| 36 | F | 98.5 | Very high | 97 | Very high | 2 Ų | 2 | 43.6 Ų | 43.6 | 1% | 0.009 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.4 | -40.6 | -179.2 | -56.1 | -28.8 | 0 | 0 | 0 | 111.8 | R32 K33 M39 N40 Y47 L76 E79 A83 V85 F87 | R32-F36 HydrophobicContact CB-CZ 4.43Å; R32-F36 WeakPolarHBondContact O-CD2 3.37Å; R32-F36 VanDerWaalsContact O-CG 3.26Å; R32-F36 WeakPolarHBondContact O-CG 3.39Å; R32-F36 PolarHBondContact O-N 3.29Å; R32-F36 VanDerWaalsContact O-N 3.12Å; K33-F36 PolarHBondContact O-N 3.42Å; F36-M39 HydrophobicContact CD1-SD 4.48Å; F36-M39 PolarHBondContact O-N 3.48Å; F36-N40 WeakPolarHBondContact O-CB 3.37Å; F36-N40 PolarHBondContact O-N 3.47Å; F36-Y47 AromaticContact CE1-CD1 3.64Å; F36-Y47 HydrophobicContact CE1-CD1 3.64Å; F36-Y47 HydrophobicContact CE1-CD2 4.05Å; F36-Y47 HydrophobicContact CE1-CE1 4.1Å; F36-Y47 HydrophobicContact CE1-CE2 4.49Å; F36-Y47 AromaticContact CE1-CG 3.59Å; F36-Y47 HydrophobicContact CE1-CG 3.59Å; F36-Y47 AromaticContact CZ-CD1 3.91Å; F36-Y47 HydrophobicContact CZ-CD1 3.91Å; F36-Y47 HydrophobicContact CZ-CE1 4.08Å; F36-Y47 HydrophobicContact CZ-CG 4.33Å; F36-L76 HydrophobicContact CE2-CD1 3.5Å; F36-L76 HydrophobicContact CE2-CG 4.06Å; F36-L76 HydrophobicContact CZ-CD1 3.76Å; F36-L76 HydrophobicContact CZ-CG 4.11Å; F36-E79 HydrophobicContact CD2-CB 4.26Å; F36-A83 HydrophobicContact CB-CB 3.76Å; F36-V85 HydrophobicContact CB-CG2 4.47Å; F36-V85 HydrophobicContact CD1-CG1 4.24Å; F36-F87 HydrophobicContact CZ-CD2 4.44Å |
| 37 | R | 97.5 | Very high | 97.1 | Very high | 91 Ų | 91 | 41.9 Ų | 41.9 | 34% | 0.343 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -60.2 | -47.7 | 174.5 | -168.2 | -166.5 | 68.6 | 72 | 1.4 | 111.8 | K33 E34 L35 Q41 | K33-R37 PolarHBondContact O-N 3.1Å; E34-R37 WeakPolarHBondContact O-CB 3.49Å; E34-R37 PolarHBondContact O-N 2.72Å; E34-R37 IonicContact OE1-CZ 3.56Å; E34-R37 IonicContact OE1-NE 2.88Å; E34-R37 IonicContact OE1-NH2 2.75Å; E34-R37 PolarHBondContact OE1-NH2 2.9Å; E34-R37 IonicContact OE2-CZ 2.92Å; E34-R37 IonicContact OE2-NE 3.74Å; E34-R37 PolarHBondContact OE2-NE 2.77Å; E34-R37 IonicContact OE2-NH2 2.77Å; E34-R37 PolarHBondContact OE2-NH2 2.99Å; L35-R37 VanDerWaalsContact C-N 3.29Å; L35-R37 PolarHBondContact O-N 3.38Å; R37-Q41 WeakPolarHBondContact O-CG 3.41Å; R37-Q41 PolarHBondContact O-N 3.43Å |
| 38 | R | 97.2 | Very high | 97.2 | Very high | 7 Ų | 7 | 41.5 Ų | 41.5 | 3% | 0.026 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.1 | -43.6 | 177.8 | -70.9 | -179.7 | -173.6 | -177 | 3.6 | 111.4 | E34 L35 N40 Q41 M42 E275 | E34-R38 WeakPolarHBondContact O-CG 3.45Å; E34-R38 PolarHBondContact O-N 3.24Å; E34-R38 IonicContact OE1-CZ 2.63Å; E34-R38 IonicContact OE1-NE 3.24Å; E34-R38 PolarHBondContact OE1-NE 2.83Å; E34-R38 IonicContact OE1-NH2 3.84Å; E34-R38 PolarHBondContact OE1-NH2 3.02Å; L35-R38 PolarHBondContact O-N 2.9Å; L35-R38 VanDerWaalsContact O-N 3.15Å; R38-N40 PolarHBondContact O-N 3.27Å; R38-Q41 PolarHBondContact O-N 3.49Å; R38-M42 WeakPolarHBondContact O-CB 3.23Å; R38-M42 VanDerWaalsContact O-CG 3.26Å; R38-M42 WeakPolarHBondContact O-CG 3.48Å; R38-M42 PolarHBondContact O-N 2.91Å; R38-E275 IonicContact CZ-OE2 3.69Å; R38-E275 VanDerWaalsContact CZ-OE2 3.31Å; R38-E275 IonicContact NH1-OE2 2.76Å; R38-E275 PolarHBondContact NH1-OE2 2.89Å; R38-E275 IonicContact NH2-OE1 3.38Å; R38-E275 IonicContact NH2-OE2 3.93Å; R38-E275 PolarHBondContact NH2-OE2 3.16Å |
| 39 | M | 98.3 | Very high | 97.4 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.6 | -47.9 | 177.7 | -75.8 | 174.1 | 63.5 | 0 | 0 | 111.7 | V18 L35 F36 Q41 M42 G43 M44 A46 V85 | V18-M39 HydrophobicContact CB-SD 4.49Å; V18-M39 HydrophobicContact CG2-SD 4.26Å; L35-M39 HydrophobicContact CD1-CG 4.11Å; L35-M39 HydrophobicContact CD1-SD 3.97Å; L35-M39 HydrophobicContact CD2-SD 4.28Å; L35-M39 HydrophobicContact CG-CG 4.31Å; L35-M39 HydrophobicContact CG-SD 3.7Å; L35-M39 WeakPolarHBondContact O-CB 3.37Å; L35-M39 VanDerWaalsContact O-CG 3.29Å; L35-M39 WeakPolarHBondContact O-CG 3.21Å; L35-M39 PolarHBondContact O-N 3.24Å; F36-M39 HydrophobicContact CD1-SD 4.48Å; F36-M39 PolarHBondContact O-N 3.48Å; M39-Q41 PolarHBondContact O-N 3.42Å; M39-M42 CarbonylContact O-C 3.58Å; M39-M42 PolarHBondContact O-N 2.94Å; M39-G43 PolarHBondContact O-N 3.1Å; M39-M44 HydrophobicContact CB-CB 3.91Å; M39-M44 HydrophobicContact CE-CB 4.19Å; M39-M44 HydrophobicContact CG-CB 4.1Å; M39-M44 PolarHBondContact O-N 2.89Å; M39-A46 WeakPolarHBondContact CE-O 3.41Å; M39-V85 HydrophobicContact CB-CG2 3.99Å; M39-V85 HydrophobicContact CE-CB 4.42Å; M39-V85 HydrophobicContact CE-CG1 3.48Å; M39-V85 VanDerWaalsContact CE-CG1 3.48Å; M39-V85 HydrophobicContact CE-CG2 4Å; M39-V85 HydrophobicContact SD-CG1 4.32Å |
| 40 | N | 97.2 | Very high | 97.5 | Very high | 90 Ų | 90 | 34.9 Ų | 34.9 | 48% | 0.481 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -56.4 | -49.3 | 175.5 | -179.1 | -94.7 | 0 | 0 | 0 | 111.7 | F36 R38 M42 G43 A83 | F36-N40 WeakPolarHBondContact O-CB 3.37Å; F36-N40 PolarHBondContact O-N 3.47Å; R38-N40 PolarHBondContact O-N 3.27Å; N40-M42 PolarHBondContact O-N 3.04Å; N40-G43 PolarHBondContact O-N 3.21Å; N40-A83 WeakPolarHBondContact CB-O 3.43Å; N40-A83 PolarHBondContact ND2-O 3.03Å |
| 41 | Q | 96.4 | Very high | 97.6 | Very high | 131 Ų | 131 | 30.6 Ų | 30.6 | 61% | 0.612 | 15% | 0.153 | S | C | * | . | H | α-helix | trans | -61.5 | -33.6 | 179.3 | -72.2 | -177.9 | -18.8 | 0 | 0 | 113.1 | R37 R38 M39 | R37-Q41 WeakPolarHBondContact O-CG 3.41Å; R37-Q41 PolarHBondContact O-N 3.43Å; R38-Q41 PolarHBondContact O-N 3.49Å; M39-Q41 PolarHBondContact O-N 3.42Å |
| 42 | M | 96.5 | Very high | 97.4 | Very high | 18 Ų | 18 | 29 Ų | 29 | 9% | 0.089 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -85.6 | -7.8 | 177.8 | -65.1 | 177.7 | -174.5 | 0 | 0 | 112.7 | R38 M39 N40 M44 Y278 F281 H282 A285 R289 | R38-M42 WeakPolarHBondContact O-CB 3.23Å; R38-M42 VanDerWaalsContact O-CG 3.26Å; R38-M42 WeakPolarHBondContact O-CG 3.48Å; R38-M42 PolarHBondContact O-N 2.91Å; M39-M42 CarbonylContact O-C 3.58Å; M39-M42 PolarHBondContact O-N 2.94Å; N40-M42 PolarHBondContact O-N 3.04Å; M42-M44 HydrophobicContact CB-CG 4.49Å; M42-Y278 HydrophobicContact CE-CD2 4.18Å; M42-Y278 HydrophobicContact CE-CE1 4.25Å; M42-Y278 HydrophobicContact CE-CE2 3.77Å; M42-F281 HydrophobicContact SD-CB 3.85Å; M42-H282 HydrophobicContact CE-CB 3.98Å; M42-H282 HydrophobicContact SD-CB 4.08Å; M42-A285 HydrophobicContact CB-CB 3.8Å; M42-A285 WeakPolarHBondContact O-CB 3.05Å; M42-R289 PolarHBondContact O-NH1 3.46Å |
| 43 | G | 95.8 | Very high | 97.1 | Very high | 50 Ų | 50 | 31.3 Ų | 31.3 | 52% | 0.515 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.4 | 30.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | M39 N40 | M39-G43 PolarHBondContact O-N 3.1Å; N40-G43 PolarHBondContact O-N 3.21Å |
| 44 | M | 98 | Very high | 97 | Very high | 4 Ų | 4 | 28.1 Ų | 28.1 | 2% | 0.02 | 15% | 0.147 | C | C | . | . | trans | -93.6 | 148.5 | 168.6 | -64.1 | 176.6 | 70.1 | 0 | 0 | 109.4 | T16 G17 V18 M39 M42 F281 L284 A285 | T16-M44 HydrophobicContact CG2-CE 4.42Å; T16-M44 HydrophobicContact CG2-CG 4.08Å; T16-M44 CarbonylContact O-C 3.53Å; T16-M44 WeakPolarHBondContact O-CA 3.25Å; T16-M44 WeakPolarHBondContact O-CB 3.49Å; G17-M44 VanDerWaalsContact CA-CE 3.41Å; G17-M44 VanDerWaalsContact O-CE 3.3Å; G17-M44 WeakPolarHBondContact O-CE 3.34Å; V18-M44 HydrophobicContact CG2-CE 3.9Å; M39-M44 HydrophobicContact CB-CB 3.91Å; M39-M44 HydrophobicContact CE-CB 4.19Å; M39-M44 HydrophobicContact CG-CB 4.1Å; M39-M44 PolarHBondContact O-N 2.89Å; M42-M44 HydrophobicContact CB-CG 4.49Å; M44-F281 HydrophobicContact SD-CB 4.3Å; M44-L284 HydrophobicContact CE-CD2 3.83Å; M44-L284 HydrophobicContact CE-CG 4.49Å; M44-A285 HydrophobicContact CG-CB 3.96Å; M44-A285 HydrophobicContact SD-CB 4.15Å | ||
| 45 | N | 97.9 | Very high | 96.9 | Very high | 19 Ų | 19 | 30 Ų | 30 | 10% | 0.102 | 16% | 0.158 | C | C | . | . | trans | -136 | 3.3 | -163.2 | 63.4 | 9.3 | 0 | 0 | 0 | 114.9 | E13 F14 T16 L86 | E13-N45 VanDerWaalsContact CD-ND2 3.26Å; E13-N45 PolarHBondContact OE1-ND2 2.94Å; F14-N45 PolarHBondContact O-ND2 3.47Å; F14-N45 PolarHBondContact O-OD1 3.04Å; T16-N45 PolarHBondContact N-OD1 3.46Å; T16-N45 PolarHBondContact O-N 3.31Å; T16-N45 PolarHBondContact O-OD1 3.01Å; N45-L86 WeakPolarHBondContact O-CB 3.49Å; N45-L86 PolarHBondContact O-N 2.79Å | ||
| 46 | A | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 132 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L15 T16 G17 V18 M39 L267 | L15-A46 HydrophobicContact CB-CB 3.99Å; L15-A46 HydrophobicContact CD2-CB 4.17Å; T16-A46 PolarHBondContact O-N 3.19Å; G17-A46 CarbonylContact C-O 3.44Å; G17-A46 WeakPolarHBondContact CA-O 3.33Å; V18-A46 PolarHBondContact N-O 3.08Å; V18-A46 VanDerWaalsContact N-O 3.1Å; M39-A46 WeakPolarHBondContact CE-O 3.41Å; A46-L267 HydrophobicContact CB-CD2 3.8Å |
| 47 | Y | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 125 | 173.3 | 170.3 | -104.1 | 0 | 0 | 0 | 109.8 | V18 E20 R32 L35 F36 Y49 L86 F87 I88 | V18-Y47 WeakPolarHBondContact O-CA 3.37Å; E20-Y47 HydrophobicContact CB-CE2 3.98Å; E20-Y47 PolarHBondContact OE2-OH 3.37Å; R32-Y47 PolarHBondContact NE-OH 3.43Å; L35-Y47 HydrophobicContact CD2-CD2 3.66Å; L35-Y47 HydrophobicContact CD2-CE2 3.65Å; F36-Y47 AromaticContact CE1-CD1 3.64Å; F36-Y47 HydrophobicContact CE1-CD1 3.64Å; F36-Y47 HydrophobicContact CE1-CD2 4.05Å; F36-Y47 HydrophobicContact CE1-CE1 4.1Å; F36-Y47 HydrophobicContact CE1-CE2 4.49Å; F36-Y47 AromaticContact CE1-CG 3.59Å; F36-Y47 HydrophobicContact CE1-CG 3.59Å; F36-Y47 AromaticContact CZ-CD1 3.91Å; F36-Y47 HydrophobicContact CZ-CD1 3.91Å; F36-Y47 HydrophobicContact CZ-CE1 4.08Å; F36-Y47 HydrophobicContact CZ-CG 4.33Å; Y47-Y49 HydrophobicContact CE1-CD2 4.16Å; Y47-L86 PolarHBondContact N-O 3Å; Y47-F87 AromaticContact CD1-CD2 3.77Å; Y47-F87 HydrophobicContact CD1-CD2 3.77Å; Y47-F87 AromaticContact CD1-CE2 3.75Å; Y47-F87 HydrophobicContact CD1-CE2 3.75Å; Y47-F87 HydrophobicContact CE1-CD2 4.13Å; Y47-F87 AromaticContact CE1-CE2 3.61Å; Y47-F87 HydrophobicContact CE1-CE2 3.61Å; Y47-F87 HydrophobicContact CE1-CZ 4.26Å; Y47-I88 PolarHBondContact O-N 3.43Å |
| 48 | L | 98.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 112.5 | 177 | 177.6 | 63.7 | 0 | 0 | 0 | 109.5 | V18 V19 E20 A50 I88 A90 A124 L167 W232 L267 | V18-L48 PolarHBondContact O-N 3.33Å; V19-L48 HydrophobicContact CB-CB 3.92Å; V19-L48 HydrophobicContact CB-CD2 4.03Å; V19-L48 HydrophobicContact CB-CG 4.28Å; V19-L48 HydrophobicContact CG2-CB 3.92Å; V19-L48 HydrophobicContact CG2-CD2 3.57Å; V19-L48 HydrophobicContact CG2-CG 3.77Å; E20-L48 PolarHBondContact N-O 3.41Å; L48-A50 HydrophobicContact CG-CB 4.3Å; L48-A50 PolarHBondContact O-N 2.96Å; L48-I88 HydrophobicContact CD1-CB 3.77Å; L48-I88 HydrophobicContact CD1-CG2 3.56Å; L48-A90 HydrophobicContact CD1-CB 3.84Å; L48-A124 HydrophobicContact CD1-CB 3.86Å; L48-L167 HydrophobicContact CD1-CD1 4.44Å; L48-L167 HydrophobicContact CD2-CD1 4.33Å; L48-W232 HydrophobicContact CD2-CE3 4.23Å; L48-W232 HydrophobicContact CD2-CZ3 4.06Å; L48-L267 HydrophobicContact CB-CD1 3.94Å; L48-L267 HydrophobicContact CD2-CD1 3.98Å |
| 49 | Y | 98.6 | Very high | 96.4 | Very high | 18 Ų | 18 | 32.6 Ų | 32.6 | 7% | 0.071 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 99.1 | 175.6 | -176.3 | -91.2 | 0 | 0 | 0 | 109.3 | Y47 P51 D54 L76 F87 I88 F89 A90 | Y47-Y49 HydrophobicContact CE1-CD2 4.16Å; Y49-P51 HydrophobicContact CD2-CG 4.5Å; Y49-P51 HydrophobicContact CE1-CG 4Å; Y49-P51 HydrophobicContact CE2-CG 4.01Å; Y49-D54 WeakPolarHBondContact CE1-OD2 3.35Å; Y49-D54 PolarHBondContact OH-OD2 3.45Å; Y49-L76 HydrophobicContact CD2-CD2 4.37Å; Y49-L76 HydrophobicContact CE2-CD2 4.46Å; Y49-F87 HydrophobicContact CD2-CZ 4.13Å; Y49-F87 AromaticContact CG-CZ 3.99Å; Y49-F87 HydrophobicContact CG-CZ 3.99Å; Y49-I88 PolarHBondContact N-O 3.09Å; Y49-F89 HydrophobicContact CD1-CD2 4.2Å; Y49-F89 HydrophobicContact CD1-CE2 4.23Å; Y49-F89 HydrophobicContact CE1-CE2 4.5Å; Y49-A90 WeakPolarHBondContact O-CB 3.42Å; Y49-A90 PolarHBondContact O-N 3.06Å; Y49-A90 VanDerWaalsContact O-N 3.09Å |
| 50 | A | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | trans | -139.7 | 35.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | V19 E20 G21 L48 K52 A90 L126 W232 | V19-A50 HydrophobicContact CG2-CB 4.13Å; E20-A50 CarbonylContact O-C 3.23Å; E20-A50 VanDerWaalsContact O-CA 3.28Å; E20-A50 WeakPolarHBondContact O-CA 3.39Å; E20-A50 PolarHBondContact O-N 3.01Å; E20-A50 VanDerWaalsContact O-N 3.11Å; G21-A50 WeakPolarHBondContact CA-O 3.48Å; L48-A50 HydrophobicContact CG-CB 4.3Å; L48-A50 PolarHBondContact O-N 2.96Å; A50-K52 PolarHBondContact O-N 3.48Å; A50-A90 HydrophobicContact CB-CB 3.86Å; A50-L126 HydrophobicContact CB-CD1 3.73Å; A50-W232 HydrophobicContact CB-CH2 4.17Å | ||
| 51 | P | 96.7 | Very high | 96.3 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.006 | 16% | 0.162 | C | C | . | . | trans | -62.6 | 122 | -174.4 | 23.8 | -32 | 0 | 0 | 0 | 110.3 | E20 P26 Y49 D53 D54 H57 | E20-P51 HydrophobicContact CG-CB 4.24Å; E20-P51 WeakPolarHBondContact O-CA 3.42Å; P26-P51 HydrophobicContact CB-CB 3.86Å; P26-P51 HydrophobicContact CB-CG 4.48Å; P26-P51 HydrophobicContact CG-CB 3.93Å; Y49-P51 HydrophobicContact CD2-CG 4.5Å; Y49-P51 HydrophobicContact CE1-CG 4Å; Y49-P51 HydrophobicContact CE2-CG 4.01Å; P51-D53 PolarHBondContact O-N 2.95Å; P51-D54 HydrophobicContact CB-CB 4.35Å; P51-D54 HydrophobicContact CG-CB 3.79Å; P51-D54 PolarHBondContact O-N 3.24Å; P51-H57 PolarHBondContact O-CD2 2.71Å | ||
| 52 | K | 93.5 | Very high | 96.3 | Very high | 6 Ų | 6 | 26.6 Ų | 26.6 | 3% | 0.026 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -31.1 | -171.5 | -68.3 | -67.7 | -162.9 | -74.2 | 0 | 113.1 | G21 F22 Y23 A50 D128 | G21-K52 WeakPolarHBondContact O-CG 3.19Å; G21-K52 PolarHBondContact O-NZ 3.47Å; G21-K52 VanDerWaalsContact O-NZ 3.15Å; F22-K52 PolarHBondContact O-N 2.94Å; Y23-K52 HydrophobicContact CD1-CB 3.6Å; Y23-K52 HydrophobicContact CD1-CG 4Å; Y23-K52 HydrophobicContact CD2-CG 4.22Å; Y23-K52 HydrophobicContact CE1-CB 3.76Å; Y23-K52 HydrophobicContact CE1-CD 4.2Å; Y23-K52 HydrophobicContact CE1-CG 3.89Å; Y23-K52 HydrophobicContact CE2-CG 4.11Å; Y23-K52 HydrophobicContact CG-CB 4.08Å; Y23-K52 HydrophobicContact CG-CG 4.17Å; A50-K52 PolarHBondContact O-N 3.48Å; K52-D128 WeakPolarHBondContact CE-OD2 3.47Å; K52-D128 IonicContact NZ-OD2 3.62Å; K52-D128 PolarHBondContact NZ-OD2 3.3Å |
| 53 | D | 92.6 | Very high | 96.4 | Very high | 79 Ų | 79 | 29.8 Ų | 29.8 | 42% | 0.422 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | 4.9 | -177.3 | -66.7 | -3.8 | 0 | 0 | 0 | 113.6 | G24 P51 I55 | G24-D53 WeakPolarHBondContact CA-OD2 3.47Å; G24-D53 PolarHBondContact N-OD2 3.5Å; P51-D53 PolarHBondContact O-N 2.95Å; D53-I55 PolarHBondContact O-N 3.05Å |
| 54 | D | 93.4 | Very high | 96.5 | Very high | 27 Ų | 27 | 31.4 Ų | 31.4 | 14% | 0.144 | 16% | 0.158 | C | C | . | . | trans | -71.6 | 111.3 | 160.6 | 174.4 | -2.7 | 0 | 0 | 0 | 108.5 | Y49 P51 K56 H57 R58 | Y49-D54 WeakPolarHBondContact CE1-OD2 3.35Å; Y49-D54 PolarHBondContact OH-OD2 3.45Å; P51-D54 HydrophobicContact CB-CB 4.35Å; P51-D54 HydrophobicContact CG-CB 3.79Å; P51-D54 PolarHBondContact O-N 3.24Å; D54-K56 PolarHBondContact O-N 3.47Å; D54-K56 PolarHBondContact OD1-N 2.84Å; D54-H57 HydrophobicContact CB-CB 3.84Å; D54-H57 WeakPolarHBondContact O-CB 3.42Å; D54-H57 PolarHBondContact O-N 3.15Å; D54-R58 PolarHBondContact O-N 3.19Å | ||
| 55 | I | 94.1 | Very high | 96.4 | Very high | 87 Ų | 87 | 32.1 Ų | 32.1 | 45% | 0.446 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -38.4 | -175.6 | -158.2 | 177.1 | 0 | 0 | 0 | 111.8 | D53 H57 Q59 S60 | D53-I55 PolarHBondContact O-N 3.05Å; I55-H57 VanDerWaalsContact C-N 3.29Å; I55-H57 PolarHBondContact O-N 3.32Å; I55-Q59 HydrophobicContact CG1-CB 3.92Å; I55-Q59 PolarHBondContact O-N 3.47Å; I55-Q59 VanDerWaalsContact O-N 3.12Å; I55-S60 WeakPolarHBondContact O-CA 3.25Å; I55-S60 PolarHBondContact O-N 2.9Å |
| 56 | K | 96.7 | Very high | 96.4 | Very high | 23 Ų | 23 | 34.3 Ų | 34.3 | 10% | 0.1 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -5.5 | -178.1 | -69 | -170.4 | -179.2 | -177.9 | 0 | 113.6 | D54 D63 L64 Y65 E69 I91 K111 | D54-K56 PolarHBondContact O-N 3.47Å; D54-K56 PolarHBondContact OD1-N 2.84Å; K56-D63 HydrophobicContact CD-CB 4.46Å; K56-D63 HydrophobicContact CG-CB 4.43Å; K56-L64 PolarHBondContact NZ-O 3.18Å; K56-Y65 HydrophobicContact CB-CD1 4.5Å; K56-Y65 HydrophobicContact CB-CE1 3.88Å; K56-Y65 HydrophobicContact CD-CD1 3.84Å; K56-Y65 HydrophobicContact CD-CE1 4.07Å; K56-E69 WeakPolarHBondContact CE-OE1 3.36Å; K56-E69 IonicContact NZ-OE1 3.61Å; K56-E69 PolarHBondContact NZ-OE1 3.24Å; K56-E69 IonicContact NZ-OE2 2.72Å; K56-E69 PolarHBondContact NZ-OE2 3.46Å; K56-I91 WeakPolarHBondContact O-CD1 3.48Å; K56-K111 PolarHBondContact O-NZ 3.24Å |
| 57 | H | 95.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -38 | 171.5 | 172.4 | 68.7 | 0 | 0 | 0 | 112.2 | P51 D54 I55 A90 I91 S92 | P51-H57 PolarHBondContact O-CD2 2.71Å; D54-H57 HydrophobicContact CB-CB 3.84Å; D54-H57 WeakPolarHBondContact O-CB 3.42Å; D54-H57 PolarHBondContact O-N 3.15Å; I55-H57 VanDerWaalsContact C-N 3.29Å; I55-H57 PolarHBondContact O-N 3.32Å; H57-A90 VanDerWaalsContact CE1-C 3.47Å; H57-A90 PolarHBondContact CE1-O 3.36Å; H57-A90 VanDerWaalsContact CE1-O 3.28Å; H57-A90 PolarHBondContact ND1-O 3.31Å; H57-I91 WeakPolarHBondContact O-CD1 3.25Å; H57-S92 PolarHBondContact CE1-OG 2.83Å; H57-S92 PolarHBondContact NE2-OG 3.31Å; H57-S92 PolarHBondContact O-N 2.76Å |
| 58 | R | 94.9 | Very high | 96.1 | Very high | 14 Ų | 14 | 46.5 Ų | 46.5 | 5% | 0.053 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -128.5 | -59.2 | -171.4 | -169.7 | 171.3 | -176.5 | 99.6 | -2.5 | 114.9 | D54 L95 D128 D129 | D54-R58 PolarHBondContact O-N 3.19Å; R58-L95 HydrophobicContact CG-CD1 3.83Å; R58-L95 HydrophobicContact CG-CG 4.37Å; R58-D128 PolarHBondContact NH1-O 3.29Å; R58-D128 IonicContact NH1-OD1 2.9Å; R58-D128 PolarHBondContact NH1-OD1 3.24Å; R58-D128 VanDerWaalsContact NH1-OD1 3.16Å; R58-D128 PolarHBondContact NH2-O 2.65Å; R58-D129 PolarHBondContact NH2-O 2.89Å |
| 59 | Q | 93.3 | Very high | 96 | Very high | 117 Ų | 117 | 49.2 Ų | 49.2 | 55% | 0.547 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -54.7 | -172.3 | -63 | 178.7 | 16.8 | 0 | 0 | 112.3 | I55 | I55-Q59 HydrophobicContact CG1-CB 3.92Å; I55-Q59 PolarHBondContact O-N 3.47Å; I55-Q59 VanDerWaalsContact O-N 3.12Å |
| 60 | S | 96.4 | Very high | 95.8 | Very high | 36 Ų | 36 | 51.1 Ų | 51.1 | 25% | 0.252 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | 45.4 | 176.8 | -61.2 | 0 | 0 | 0 | 0 | 111.3 | I55 R62 D63 | I55-S60 WeakPolarHBondContact O-CA 3.25Å; I55-S60 PolarHBondContact O-N 2.9Å; S60-R62 PolarHBondContact O-N 2.65Å; S60-D63 WeakPolarHBondContact CB-OD2 3.24Å; S60-D63 PolarHBondContact O-N 3.45Å |
| 61 | W | 97.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -24.8 | -175.4 | 67.3 | -94.4 | 0 | 0 | 0 | 113.6 | I91 P93 D96 V97 E104 I107 L108 K111 | W61-I91 HydrophobicContact CB-CD1 3.92Å; W61-I91 HydrophobicContact CB-CG1 4.19Å; W61-P93 HydrophobicContact CD2-CB 3.7Å; W61-P93 HydrophobicContact CE3-CB 4.08Å; W61-P93 HydrophobicContact CG-CB 4.09Å; W61-P93 HydrophobicContact CH2-CB 4.43Å; W61-P93 HydrophobicContact CZ2-CB 4.08Å; W61-P93 HydrophobicContact CZ3-CB 4.44Å; W61-D96 PolarHBondContact NE1-OD1 2.83Å; W61-V97 HydrophobicContact CH2-CG2 4.22Å; W61-V97 HydrophobicContact CZ2-CB 3.93Å; W61-V97 HydrophobicContact CZ2-CG2 3.93Å; W61-E104 HydrophobicContact CH2-CB 4.38Å; W61-E104 WeakPolarHBondContact CH2-OE2 3.12Å; W61-E104 WeakPolarHBondContact CZ2-OE2 3.39Å; W61-I107 HydrophobicContact CZ3-CG2 4.15Å; W61-L108 HydrophobicContact CE3-CD1 4.17Å; W61-L108 HydrophobicContact CZ3-CB 3.91Å; W61-L108 HydrophobicContact CZ3-CD1 4.17Å; W61-K111 PolarHBondContact O-NZ 3.24Å |
| 62 | R | 97.8 | Very high | 95.6 | Very high | 60 Ų | 60 | 61.7 Ų | 61.7 | 23% | 0.226 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -26.8 | 177.3 | -63.3 | -177.6 | -176.6 | 77.3 | -1.3 | 113.7 | S60 D96 E104 I107 | S60-R62 PolarHBondContact O-N 2.65Å; R62-D96 IonicContact CZ-OD1 3.48Å; R62-D96 IonicContact CZ-OD2 3.52Å; R62-D96 IonicContact NH1-OD1 3.47Å; R62-D96 PolarHBondContact NH1-OD1 2.88Å; R62-D96 IonicContact NH1-OD2 3.62Å; R62-D96 PolarHBondContact NH1-OD2 3.41Å; R62-D96 PolarHBondContact NH2-O 3.39Å; R62-D96 IonicContact NH2-OD1 2.7Å; R62-D96 PolarHBondContact NH2-OD1 3.44Å; R62-D96 IonicContact NH2-OD2 2.66Å; R62-E104 IonicContact CZ-OE1 3.4Å; R62-E104 VanDerWaalsContact CZ-OE1 3.31Å; R62-E104 IonicContact CZ-OE2 2.75Å; R62-E104 VanDerWaalsContact NE-CD 3.29Å; R62-E104 IonicContact NE-OE1 3.22Å; R62-E104 PolarHBondContact NE-OE1 3.09Å; R62-E104 IonicContact NE-OE2 3.5Å; R62-E104 PolarHBondContact NE-OE2 3.2Å; R62-E104 IonicContact NH2-OE1 2.76Å; R62-E104 PolarHBondContact NH2-OE1 2.86Å; R62-E104 IonicContact NH2-OE2 3.69Å; R62-I107 HydrophobicContact CB-CG2 3.77Å; R62-I107 HydrophobicContact CG-CG2 3.95Å |
| 63 | D | 97.6 | Very high | 95.7 | Very high | 84 Ų | 84 | 62 Ų | 62 | 45% | 0.449 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -75 | 130.8 | -175.6 | -68.5 | -16.6 | 0 | 0 | 0 | 110.3 | K56 S60 K111 | K56-D63 HydrophobicContact CD-CB 4.46Å; K56-D63 HydrophobicContact CG-CB 4.43Å; S60-D63 WeakPolarHBondContact CB-OD2 3.24Å; S60-D63 PolarHBondContact O-N 3.45Å; D63-K111 WeakPolarHBondContact O-CE 3.47Å; D63-K111 PolarHBondContact O-NZ 2.54Å |
| 64 | L | 97.6 | Very high | 96 | Very high | 85 Ų | 85 | 62.2 Ų | 62.2 | 45% | 0.445 | 30% | 0.303 | S | S | . | . | P | Polyproline II helix | trans | -70.9 | 154.7 | 172.7 | -64.5 | -179.2 | 0 | 0 | 0 | 110.5 | K56 K110 K111 | K56-L64 PolarHBondContact NZ-O 3.18Å; L64-K110 HydrophobicContact CD2-CB 4.5Å; L64-K111 HydrophobicContact CD2-CB 4.15Å; L64-K111 HydrophobicContact CD2-CD 3.9Å |
| 65 | Y | 97.1 | Very high | 96.1 | Very high | 18 Ų | 18 | 66.3 Ų | 66.3 | 7% | 0.071 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -65.9 | 138.9 | 169.2 | -65.5 | -67.4 | 0 | 0 | 0 | 110 | K56 E69 L73 F89 K111 Q114 V115 | K56-Y65 HydrophobicContact CB-CD1 4.5Å; K56-Y65 HydrophobicContact CB-CE1 3.88Å; K56-Y65 HydrophobicContact CD-CD1 3.84Å; K56-Y65 HydrophobicContact CD-CE1 4.07Å; Y65-E69 WeakPolarHBondContact CA-OE2 3.42Å; Y65-E69 HydrophobicContact CD1-CB 3.88Å; Y65-E69 HydrophobicContact CD1-CG 4.5Å; Y65-E69 HydrophobicContact CG-CB 4.31Å; Y65-L73 HydrophobicContact CD2-CD2 4Å; Y65-L73 HydrophobicContact CE2-CD2 3.69Å; Y65-F89 HydrophobicContact CE2-CE2 4.07Å; Y65-F89 HydrophobicContact CE2-CZ 4.05Å; Y65-F89 WeakPolarHBondContact OH-CE2 3.25Å; Y65-K111 HydrophobicContact CD2-CD 4.43Å; Y65-K111 HydrophobicContact CE2-CD 4.38Å; Y65-Q114 PolarHBondContact O-NE2 2.74Å; Y65-V115 HydrophobicContact CD2-CG2 4.23Å; Y65-V115 HydrophobicContact CE2-CG2 3.87Å |
| 66 | T | 96.9 | Very high | 96.3 | Very high | 65 Ų | 65 | 62.4 Ų | 62.4 | 40% | 0.399 | 30% | 0.3 | S | S | . | . | P | Polyproline II helix | trans | -66 | 168 | 168.1 | 57.9 | 0 | 0 | 0 | 0 | 109.9 | E68 E69 E70 | T66-E68 PolarHBondContact O-N 2.72Å; T66-E69 WeakPolarHBondContact CB-OE2 3.32Å; T66-E69 WeakPolarHBondContact CG2-OE2 3.29Å; T66-E69 PolarHBondContact N-OE2 3.03Å; T66-E69 PolarHBondContact O-N 3.45Å; T66-E69 WeakPolarHBondContact OG1-CB 3.17Å; T66-E69 VanDerWaalsContact OG1-CG 3.23Å; T66-E69 WeakPolarHBondContact OG1-CG 3.3Å; T66-E69 PolarHBondContact OG1-N 3.27Å; T66-E69 PolarHBondContact OG1-OE2 3.41Å; T66-E70 WeakPolarHBondContact O-CB 3.31Å; T66-E70 WeakPolarHBondContact O-CG 3.48Å; T66-E70 PolarHBondContact O-N 3Å |
| 67 | Q | 96.4 | Very high | 96.3 | Very high | 138 Ų | 138 | 61.5 Ų | 61.5 | 65% | 0.645 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -63 | -35 | -178.9 | -68.5 | -174.5 | 2.9 | 0 | 0 | 111.8 | Q71 | Q67-Q71 VanDerWaalsContact O-CG 3.27Å; Q67-Q71 WeakPolarHBondContact O-CG 3.31Å; Q67-Q71 PolarHBondContact O-N 3.13Å |
| 68 | E | 95.4 | Very high | 96.4 | Very high | 118 Ų | 118 | 64.2 Ų | 64.2 | 55% | 0.551 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -67.1 | -47 | 177.5 | -63.8 | 70 | -154.7 | 0 | 0 | 110.7 | T66 Q71 Q72 | T66-E68 PolarHBondContact O-N 2.72Å; E68-Q71 PolarHBondContact O-N 3.37Å; E68-Q72 WeakPolarHBondContact O-CG 3.36Å; E68-Q72 PolarHBondContact O-N 3.46Å |
| 69 | E | 95.4 | Very high | 96.5 | Very high | 57 Ų | 57 | 65.8 Ų | 65.8 | 27% | 0.266 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -66.5 | -38.7 | 176.1 | -69.4 | 163.2 | 141.8 | 0 | 0 | 112.2 | K56 Y65 T66 Q71 Q72 L73 | K56-E69 WeakPolarHBondContact CE-OE1 3.36Å; K56-E69 IonicContact NZ-OE1 3.61Å; K56-E69 PolarHBondContact NZ-OE1 3.24Å; K56-E69 IonicContact NZ-OE2 2.72Å; K56-E69 PolarHBondContact NZ-OE2 3.46Å; Y65-E69 WeakPolarHBondContact CA-OE2 3.42Å; Y65-E69 HydrophobicContact CD1-CB 3.88Å; Y65-E69 HydrophobicContact CD1-CG 4.5Å; Y65-E69 HydrophobicContact CG-CB 4.31Å; T66-E69 WeakPolarHBondContact CB-OE2 3.32Å; T66-E69 WeakPolarHBondContact CG2-OE2 3.29Å; T66-E69 PolarHBondContact N-OE2 3.03Å; T66-E69 PolarHBondContact O-N 3.45Å; T66-E69 WeakPolarHBondContact OG1-CB 3.17Å; T66-E69 VanDerWaalsContact OG1-CG 3.23Å; T66-E69 WeakPolarHBondContact OG1-CG 3.3Å; T66-E69 PolarHBondContact OG1-N 3.27Å; T66-E69 PolarHBondContact OG1-OE2 3.41Å; E69-Q71 VanDerWaalsContact C-N 3.33Å; E69-Q71 PolarHBondContact O-N 3.27Å; E69-Q72 PolarHBondContact O-N 2.86Å; E69-L73 WeakPolarHBondContact O-CB 3.2Å; E69-L73 PolarHBondContact O-N 3.5Å |
| 70 | E | 95.6 | Very high | 96.7 | Very high | 59 Ų | 59 | 60.2 Ų | 60.2 | 28% | 0.276 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -58.8 | -45 | 174 | -80.4 | -172.9 | 162.6 | 0 | 0 | 111.1 | T66 L73 Q74 Q114 L118 | T66-E70 WeakPolarHBondContact O-CB 3.31Å; T66-E70 WeakPolarHBondContact O-CG 3.48Å; T66-E70 PolarHBondContact O-N 3Å; E70-L73 PolarHBondContact O-N 3.29Å; E70-Q74 VanDerWaalsContact O-CB 3.25Å; E70-Q74 WeakPolarHBondContact O-CB 3.43Å; E70-Q74 PolarHBondContact O-N 3.45Å; E70-Q114 HydrophobicContact CG-CG 4.34Å; E70-Q114 VanDerWaalsContact OE1-CD 3.31Å; E70-Q114 WeakPolarHBondContact OE1-CG 3.28Å; E70-Q114 PolarHBondContact OE1-NE2 2.98Å; E70-L118 HydrophobicContact CB-CD1 4.45Å; E70-L118 HydrophobicContact CB-CD2 4.34Å |
| 71 | Q | 96.2 | Very high | 96.7 | Very high | 100 Ų | 100 | 62.9 Ų | 62.9 | 47% | 0.467 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.4 | -46 | 177 | -74.5 | 171.9 | 34.1 | 0 | 0 | 111.2 | Q67 E68 E69 L73 Q74 F75 | Q67-Q71 VanDerWaalsContact O-CG 3.27Å; Q67-Q71 WeakPolarHBondContact O-CG 3.31Å; Q67-Q71 PolarHBondContact O-N 3.13Å; E68-Q71 PolarHBondContact O-N 3.37Å; E69-Q71 VanDerWaalsContact C-N 3.33Å; E69-Q71 PolarHBondContact O-N 3.27Å; Q71-L73 PolarHBondContact O-N 3.03Å; Q71-Q74 PolarHBondContact O-N 3.41Å; Q71-F75 HydrophobicContact CB-CE2 4.27Å; Q71-F75 WeakPolarHBondContact O-CD2 3.25Å; Q71-F75 WeakPolarHBondContact O-CG 3.36Å; Q71-F75 PolarHBondContact O-N 3.49Å |
| 72 | Q | 94.1 | Very high | 96.7 | Very high | 123 Ų | 123 | 70 Ų | 70 | 58% | 0.575 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -59.9 | -44.9 | 177.1 | -70.3 | 175.7 | 5.8 | 0 | 0 | 112.1 | E68 E69 F75 L76 | E68-Q72 WeakPolarHBondContact O-CG 3.36Å; E68-Q72 PolarHBondContact O-N 3.46Å; E69-Q72 PolarHBondContact O-N 2.86Å; Q72-F75 PolarHBondContact O-N 3.14Å; Q72-L76 PolarHBondContact O-N 2.81Å |
| 73 | L | 96 | Very high | 96.6 | Very high | 12 Ų | 12 | 68 Ų | 68 | 6% | 0.063 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -68 | -38.1 | 178.6 | -171.7 | 60.1 | 0 | 0 | 0 | 111.6 | Y65 E69 E70 Q71 L76 I77 F87 F89 V115 L118 | Y65-L73 HydrophobicContact CD2-CD2 4Å; Y65-L73 HydrophobicContact CE2-CD2 3.69Å; E69-L73 WeakPolarHBondContact O-CB 3.2Å; E69-L73 PolarHBondContact O-N 3.5Å; E70-L73 PolarHBondContact O-N 3.29Å; Q71-L73 PolarHBondContact O-N 3.03Å; L73-L76 HydrophobicContact CD1-CD2 4.43Å; L73-L76 PolarHBondContact O-N 3.32Å; L73-I77 HydrophobicContact CG-CD1 4.06Å; L73-I77 VanDerWaalsContact O-CG1 3.28Å; L73-I77 WeakPolarHBondContact O-CG1 3.09Å; L73-I77 PolarHBondContact O-N 2.67Å; L73-F87 HydrophobicContact CD1-CE1 4.43Å; L73-F87 HydrophobicContact CD1-CZ 3.99Å; L73-F89 HydrophobicContact CD2-CE2 4.43Å; L73-V115 HydrophobicContact CD2-CG1 4.22Å; L73-V115 HydrophobicContact CD2-CG2 4.03Å; L73-L118 HydrophobicContact CB-CD1 4.05Å; L73-L118 HydrophobicContact CD2-CD1 3.97Å; L73-L118 HydrophobicContact CG-CD1 4.09Å |
| 74 | Q | 97.4 | Very high | 96.5 | Very high | 84 Ų | 84 | 66.4 Ų | 66.4 | 39% | 0.393 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.2 | -41.9 | 174.5 | -176.8 | 170.2 | 50.7 | 0 | 0 | 112.1 | E70 Q71 L76 I77 T78 L118 | E70-Q74 VanDerWaalsContact O-CB 3.25Å; E70-Q74 WeakPolarHBondContact O-CB 3.43Å; E70-Q74 PolarHBondContact O-N 3.45Å; Q71-Q74 PolarHBondContact O-N 3.41Å; Q74-L76 VanDerWaalsContact C-N 3.34Å; Q74-I77 PolarHBondContact O-N 3.3Å; Q74-T78 WeakPolarHBondContact O-CB 3.36Å; Q74-T78 PolarHBondContact O-N 3.34Å; Q74-T78 PolarHBondContact O-OG1 3.5Å; Q74-L118 HydrophobicContact CB-CB 4.26Å; Q74-L118 HydrophobicContact CB-CD2 4.28Å |
| 75 | F | 96.5 | Very high | 96.6 | Very high | 113 Ų | 113 | 62.5 Ų | 62.5 | 50% | 0.496 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.5 | -44.7 | 173.4 | -67.7 | -45.9 | 0 | 0 | 0 | 111 | Y29 Q71 Q72 I77 T78 E79 | Y29-F75 HydrophobicContact CE2-CB 3.99Å; Q71-F75 HydrophobicContact CB-CE2 4.27Å; Q71-F75 WeakPolarHBondContact O-CD2 3.25Å; Q71-F75 WeakPolarHBondContact O-CG 3.36Å; Q71-F75 PolarHBondContact O-N 3.49Å; Q72-F75 PolarHBondContact O-N 3.14Å; F75-I77 PolarHBondContact O-N 2.79Å; F75-T78 PolarHBondContact O-N 2.9Å; F75-E79 WeakPolarHBondContact O-CB 3.36Å; F75-E79 WeakPolarHBondContact O-CG 3.27Å; F75-E79 PolarHBondContact O-N 3.1Å |
| 76 | L | 97 | Very high | 96.6 | Very high | 5 Ų | 5 | 64.5 Ų | 64.5 | 3% | 0.026 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.1 | -43.8 | 179.1 | -170.2 | 70.3 | 0 | 0 | 0 | 113 | Y29 R32 F36 Y49 Q72 L73 Q74 T78 E79 S80 F87 | Y29-L76 HydrophobicContact CD2-CD1 4.28Å; Y29-L76 HydrophobicContact CE2-CB 4.42Å; Y29-L76 HydrophobicContact CE2-CD1 4.42Å; R32-L76 HydrophobicContact CB-CD1 3.6Å; R32-L76 HydrophobicContact CG-CD1 4.41Å; F36-L76 HydrophobicContact CE2-CD1 3.5Å; F36-L76 HydrophobicContact CE2-CG 4.06Å; F36-L76 HydrophobicContact CZ-CD1 3.76Å; F36-L76 HydrophobicContact CZ-CG 4.11Å; Y49-L76 HydrophobicContact CD2-CD2 4.37Å; Y49-L76 HydrophobicContact CE2-CD2 4.46Å; Q72-L76 PolarHBondContact O-N 2.81Å; L73-L76 HydrophobicContact CD1-CD2 4.43Å; L73-L76 PolarHBondContact O-N 3.32Å; Q74-L76 VanDerWaalsContact C-N 3.34Å; L76-T78 VanDerWaalsContact C-N 3.31Å; L76-T78 PolarHBondContact O-N 3.39Å; L76-E79 PolarHBondContact O-N 3.04Å; L76-S80 PolarHBondContact O-N 2.83Å; L76-S80 PolarHBondContact O-OG 3.41Å; L76-S80 VanDerWaalsContact O-OG 3.09Å; L76-F87 HydrophobicContact CD2-CE2 3.63Å; L76-F87 HydrophobicContact CD2-CZ 4.02Å; L76-F87 HydrophobicContact CG-CE2 3.82Å |
| 77 | I | 98 | Very high | 96.7 | Very high | 3 Ų | 3 | 61.7 Ų | 61.7 | 2% | 0.015 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.2 | -40.7 | 174.8 | -69.6 | 162.7 | 0 | 0 | 0 | 110.7 | L73 Q74 F75 S80 T81 F87 V115 L118 C120 | L73-I77 HydrophobicContact CG-CD1 4.06Å; L73-I77 VanDerWaalsContact O-CG1 3.28Å; L73-I77 WeakPolarHBondContact O-CG1 3.09Å; L73-I77 PolarHBondContact O-N 2.67Å; Q74-I77 PolarHBondContact O-N 3.3Å; F75-I77 PolarHBondContact O-N 2.79Å; I77-S80 WeakPolarHBondContact CA-OG 3.47Å; I77-S80 PolarHBondContact O-OG 2.86Å; I77-T81 WeakPolarHBondContact O-CB 3.45Å; I77-T81 PolarHBondContact O-N 3.5Å; I77-T81 VanDerWaalsContact O-N 3.09Å; I77-T81 PolarHBondContact O-OG1 3.23Å; I77-F87 HydrophobicContact CG1-CD1 3.88Å; I77-F87 HydrophobicContact CG1-CD2 4.35Å; I77-F87 HydrophobicContact CG1-CE1 4.03Å; I77-F87 HydrophobicContact CG1-CE2 4.49Å; I77-F87 HydrophobicContact CG1-CG 4.04Å; I77-F87 HydrophobicContact CG1-CZ 4.34Å; I77-V115 HydrophobicContact CD1-CG1 4.31Å; I77-L118 HydrophobicContact CD1-CB 3.85Å; I77-C120 HydrophobicContact CD1-CB 3.98Å |
| 78 | T | 97.5 | Very high | 96.8 | Very high | 58 Ų | 58 | 55.1 Ų | 55.1 | 36% | 0.356 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -65.2 | -49.8 | 178.9 | -57.1 | 0 | 0 | 0 | 0 | 111 | Q74 F75 L76 S80 T81 E82 | Q74-T78 WeakPolarHBondContact O-CB 3.36Å; Q74-T78 PolarHBondContact O-N 3.34Å; Q74-T78 PolarHBondContact O-OG1 3.5Å; F75-T78 PolarHBondContact O-N 2.9Å; L76-T78 VanDerWaalsContact C-N 3.31Å; L76-T78 PolarHBondContact O-N 3.39Å; T78-S80 PolarHBondContact O-N 2.88Å; T78-T81 WeakPolarHBondContact O-CB 3.47Å; T78-T81 PolarHBondContact O-N 2.97Å; T78-T81 VanDerWaalsContact O-N 3.15Å; T78-E82 HydrophobicContact CG2-CG 4.43Å; T78-E82 WeakPolarHBondContact O-CG 3.28Å; T78-E82 PolarHBondContact O-N 2.55Å |
| 79 | E | 97.2 | Very high | 96.9 | Very high | 46 Ų | 46 | 49.5 Ų | 49.5 | 22% | 0.215 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.2 | -40.4 | -179.3 | -67.9 | -84.9 | 176.9 | 0 | 0 | 112.4 | K33 F36 F75 L76 A83 | K33-E79 WeakPolarHBondContact CD-OE2 3.47Å; K33-E79 WeakPolarHBondContact CE-OE2 3.44Å; K33-E79 IonicContact NZ-OE1 3.89Å; K33-E79 PolarHBondContact NZ-OE1 3.38Å; K33-E79 IonicContact NZ-OE2 3.16Å; K33-E79 PolarHBondContact NZ-OE2 3.07Å; F36-E79 HydrophobicContact CD2-CB 4.26Å; F75-E79 WeakPolarHBondContact O-CB 3.36Å; F75-E79 WeakPolarHBondContact O-CG 3.27Å; F75-E79 PolarHBondContact O-N 3.1Å; L76-E79 PolarHBondContact O-N 3.04Å; E79-A83 WeakPolarHBondContact O-CB 3.35Å; E79-A83 PolarHBondContact O-N 2.94Å |
| 80 | S | 97.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.2 | -44 | 173.8 | 56.6 | 0 | 0 | 0 | 0 | 112 | L76 I77 T78 A83 G84 V85 F87 | L76-S80 PolarHBondContact O-N 2.83Å; L76-S80 PolarHBondContact O-OG 3.41Å; L76-S80 VanDerWaalsContact O-OG 3.09Å; I77-S80 WeakPolarHBondContact CA-OG 3.47Å; I77-S80 PolarHBondContact O-OG 2.86Å; T78-S80 PolarHBondContact O-N 2.88Å; S80-A83 CarbonylContact O-C 3.57Å; S80-A83 PolarHBondContact O-N 3.28Å; S80-G84 PolarHBondContact O-N 2.98Å; S80-V85 CarbonylContact C-O 3.51Å; S80-V85 VanDerWaalsContact C-O 3.31Å; S80-V85 WeakPolarHBondContact O-CA 3.38Å; S80-V85 PolarHBondContact O-N 3.25Å; S80-V85 VanDerWaalsContact O-O 3.09Å; S80-F87 WeakPolarHBondContact OG-CB 3.35Å |
| 81 | T | 96.2 | Very high | 97.2 | Very high | 93 Ų | 93 | 44.1 Ų | 44.1 | 57% | 0.571 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -63.1 | -44 | 178.4 | -56.9 | 0 | 0 | 0 | 0 | 111.5 | I77 T78 A83 G84 | I77-T81 WeakPolarHBondContact O-CB 3.45Å; I77-T81 PolarHBondContact O-N 3.5Å; I77-T81 VanDerWaalsContact O-N 3.09Å; I77-T81 PolarHBondContact O-OG1 3.23Å; T78-T81 WeakPolarHBondContact O-CB 3.47Å; T78-T81 PolarHBondContact O-N 2.97Å; T78-T81 VanDerWaalsContact O-N 3.15Å; T81-A83 VanDerWaalsContact C-N 3.27Å; T81-A83 PolarHBondContact O-N 2.98Å; T81-G84 PolarHBondContact O-N 3.39Å |
| 82 | E | 96.6 | Very high | 97.3 | Very high | 150 Ų | 150 | 39.3 Ų | 39.3 | 70% | 0.701 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -63.3 | -33.1 | 176.3 | -73 | -179.7 | -179.8 | 0 | 0 | 112.5 | T78 G84 | T78-E82 HydrophobicContact CG2-CG 4.43Å; T78-E82 WeakPolarHBondContact O-CG 3.28Å; T78-E82 PolarHBondContact O-N 2.55Å; E82-G84 PolarHBondContact O-N 3.31Å |
| 83 | A | 96.5 | Very high | 97.4 | Very high | 18 Ų | 18 | 33.5 Ų | 33.5 | 15% | 0.149 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | 0.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | F36 N40 E79 S80 T81 V85 | F36-A83 HydrophobicContact CB-CB 3.76Å; N40-A83 WeakPolarHBondContact CB-O 3.43Å; N40-A83 PolarHBondContact ND2-O 3.03Å; E79-A83 WeakPolarHBondContact O-CB 3.35Å; E79-A83 PolarHBondContact O-N 2.94Å; S80-A83 CarbonylContact O-C 3.57Å; S80-A83 PolarHBondContact O-N 3.28Å; T81-A83 VanDerWaalsContact C-N 3.27Å; T81-A83 PolarHBondContact O-N 2.98Å; A83-V85 VanDerWaalsContact C-N 3.29Å; A83-V85 HydrophobicContact CB-CG2 4.31Å; A83-V85 PolarHBondContact O-N 3.47Å |
| 84 | G | 96.3 | Very high | 97.4 | Very high | 50 Ų | 50 | 33.7 Ų | 33.7 | 52% | 0.515 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68.7 | 26.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | S80 T81 E82 | S80-G84 PolarHBondContact O-N 2.98Å; T81-G84 PolarHBondContact O-N 3.39Å; E82-G84 PolarHBondContact O-N 3.31Å |
| 85 | V | 98 | Very high | 97.2 | Very high | 2 Ų | 2 | 34.1 Ų | 34.1 | 1% | 0.012 | 19% | 0.194 | C | C | . | . | trans | -106 | 120.9 | 177.1 | 177 | 0 | 0 | 0 | 0 | 109.1 | F36 M39 S80 A83 F87 | F36-V85 HydrophobicContact CB-CG2 4.47Å; F36-V85 HydrophobicContact CD1-CG1 4.24Å; M39-V85 HydrophobicContact CB-CG2 3.99Å; M39-V85 HydrophobicContact CE-CB 4.42Å; M39-V85 HydrophobicContact CE-CG1 3.48Å; M39-V85 VanDerWaalsContact CE-CG1 3.48Å; M39-V85 HydrophobicContact CE-CG2 4Å; M39-V85 HydrophobicContact SD-CG1 4.32Å; S80-V85 CarbonylContact C-O 3.51Å; S80-V85 VanDerWaalsContact C-O 3.31Å; S80-V85 WeakPolarHBondContact O-CA 3.38Å; S80-V85 PolarHBondContact O-N 3.25Å; S80-V85 VanDerWaalsContact O-O 3.09Å; A83-V85 VanDerWaalsContact C-N 3.29Å; A83-V85 HydrophobicContact CB-CG2 4.31Å; A83-V85 PolarHBondContact O-N 3.47Å; V85-F87 PolarHBondContact O-N 2.77Å | ||
| 86 | L | 98.1 | Very high | 97.1 | Very high | 61 Ų | 61 | 32.5 Ų | 32.5 | 32% | 0.319 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 114.6 | 173.4 | -180 | 67.7 | 0 | 0 | 0 | 110 | L15 N45 Y47 I88 A122 V165 | L15-L86 HydrophobicContact CD2-CD2 4.12Å; N45-L86 WeakPolarHBondContact O-CB 3.49Å; N45-L86 PolarHBondContact O-N 2.79Å; Y47-L86 PolarHBondContact N-O 3Å; L86-I88 HydrophobicContact CD2-CD1 4.49Å; L86-I88 HydrophobicContact CD2-CG1 4.24Å; L86-I88 HydrophobicContact CG-CG1 4.21Å; L86-A122 HydrophobicContact CD1-CB 4.06Å; L86-A122 HydrophobicContact CD2-CB 4.11Å; L86-A122 HydrophobicContact CG-CB 4.14Å; L86-V165 HydrophobicContact CD2-CB 4.2Å; L86-V165 HydrophobicContact CD2-CG1 4.3Å; L86-V165 HydrophobicContact CD2-CG2 3.81Å |
| 87 | F | 98.4 | Very high | 97.1 | Very high | 5 Ų | 5 | 32.7 Ų | 32.7 | 2% | 0.022 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 118.9 | 172.3 | -164.8 | -82.5 | 0 | 0 | 0 | 110.9 | F36 Y47 Y49 L73 L76 I77 S80 V85 F89 | F36-F87 HydrophobicContact CZ-CD2 4.44Å; Y47-F87 AromaticContact CD1-CD2 3.77Å; Y47-F87 HydrophobicContact CD1-CD2 3.77Å; Y47-F87 AromaticContact CD1-CE2 3.75Å; Y47-F87 HydrophobicContact CD1-CE2 3.75Å; Y47-F87 HydrophobicContact CE1-CD2 4.13Å; Y47-F87 AromaticContact CE1-CE2 3.61Å; Y47-F87 HydrophobicContact CE1-CE2 3.61Å; Y47-F87 HydrophobicContact CE1-CZ 4.26Å; Y49-F87 HydrophobicContact CD2-CZ 4.13Å; Y49-F87 AromaticContact CG-CZ 3.99Å; Y49-F87 HydrophobicContact CG-CZ 3.99Å; L73-F87 HydrophobicContact CD1-CE1 4.43Å; L73-F87 HydrophobicContact CD1-CZ 3.99Å; L76-F87 HydrophobicContact CD2-CE2 3.63Å; L76-F87 HydrophobicContact CD2-CZ 4.02Å; L76-F87 HydrophobicContact CG-CE2 3.82Å; I77-F87 HydrophobicContact CG1-CD1 3.88Å; I77-F87 HydrophobicContact CG1-CD2 4.35Å; I77-F87 HydrophobicContact CG1-CE1 4.03Å; I77-F87 HydrophobicContact CG1-CE2 4.49Å; I77-F87 HydrophobicContact CG1-CG 4.04Å; I77-F87 HydrophobicContact CG1-CZ 4.34Å; S80-F87 WeakPolarHBondContact OG-CB 3.35Å; V85-F87 PolarHBondContact O-N 2.77Å; F87-F89 HydrophobicContact CE1-CB 4.21Å; F87-F89 HydrophobicContact CE1-CD2 4.48Å |
| 88 | I | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 113.9 | 176.8 | -47.3 | 173.8 | 0 | 0 | 0 | 108.1 | L15 Y47 L48 Y49 L86 A122 A124 V165 L167 | L15-I88 HydrophobicContact CD1-CD1 4.46Å; Y47-I88 PolarHBondContact O-N 3.43Å; L48-I88 HydrophobicContact CD1-CB 3.77Å; L48-I88 HydrophobicContact CD1-CG2 3.56Å; Y49-I88 PolarHBondContact N-O 3.09Å; L86-I88 HydrophobicContact CD2-CD1 4.49Å; L86-I88 HydrophobicContact CD2-CG1 4.24Å; L86-I88 HydrophobicContact CG-CG1 4.21Å; I88-A122 WeakPolarHBondContact CA-O 3.48Å; I88-A122 HydrophobicContact CB-CB 4.25Å; I88-A122 HydrophobicContact CG1-CB 3.89Å; I88-A122 HydrophobicContact CG2-CB 4.18Å; I88-A124 HydrophobicContact CG2-CB 4.29Å; I88-V165 HydrophobicContact CD1-CG1 4.03Å; I88-V165 HydrophobicContact CG1-CG1 4.43Å; I88-L167 HydrophobicContact CD1-CD1 4.13Å; I88-L167 HydrophobicContact CG2-CD1 4.3Å |
| 89 | F | 98.6 | Very high | 97 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 0% | 0.004 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 118 | 178.1 | 179.4 | -100.1 | 0 | 0 | 0 | 110.7 | Y49 Y65 L73 F87 I91 V115 A122 F123 A124 | Y49-F89 HydrophobicContact CD1-CD2 4.2Å; Y49-F89 HydrophobicContact CD1-CE2 4.23Å; Y49-F89 HydrophobicContact CE1-CE2 4.5Å; Y65-F89 HydrophobicContact CE2-CE2 4.07Å; Y65-F89 HydrophobicContact CE2-CZ 4.05Å; Y65-F89 WeakPolarHBondContact OH-CE2 3.25Å; L73-F89 HydrophobicContact CD2-CE2 4.43Å; F87-F89 HydrophobicContact CE1-CB 4.21Å; F87-F89 HydrophobicContact CE1-CD2 4.48Å; F89-I91 HydrophobicContact CE1-CB 4.22Å; F89-I91 HydrophobicContact CZ-CD1 4.47Å; F89-V115 HydrophobicContact CB-CG1 3.98Å; F89-V115 HydrophobicContact CD1-CB 4.34Å; F89-V115 HydrophobicContact CD1-CG1 4.15Å; F89-V115 HydrophobicContact CD1-CG2 4.21Å; F89-V115 HydrophobicContact CD2-CG1 3.85Å; F89-V115 HydrophobicContact CD2-CG2 4.22Å; F89-V115 HydrophobicContact CE1-CG2 3.92Å; F89-V115 HydrophobicContact CE2-CG1 4.39Å; F89-V115 HydrophobicContact CE2-CG2 3.94Å; F89-V115 HydrophobicContact CG-CB 4.38Å; F89-V115 HydrophobicContact CG-CG1 3.71Å; F89-V115 HydrophobicContact CG-CG2 4.35Å; F89-V115 HydrophobicContact CZ-CG2 3.79Å; F89-A122 PolarHBondContact N-O 3.16Å; F89-F123 HydrophobicContact CB-CD1 4.24Å; F89-F123 HydrophobicContact CD1-CD1 4.21Å; F89-F123 CarbonylContact O-C 3.47Å; F89-F123 VanDerWaalsContact O-CA 3.28Å; F89-F123 WeakPolarHBondContact O-CA 3.49Å; F89-A124 PolarHBondContact O-N 3.26Å |
| 90 | A | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 152.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L48 Y49 A50 H57 A124 L126 | L48-A90 HydrophobicContact CD1-CB 3.84Å; Y49-A90 WeakPolarHBondContact O-CB 3.42Å; Y49-A90 PolarHBondContact O-N 3.06Å; Y49-A90 VanDerWaalsContact O-N 3.09Å; A50-A90 HydrophobicContact CB-CB 3.86Å; H57-A90 VanDerWaalsContact CE1-C 3.47Å; H57-A90 PolarHBondContact CE1-O 3.36Å; H57-A90 VanDerWaalsContact CE1-O 3.28Å; H57-A90 PolarHBondContact ND1-O 3.31Å; A90-A124 WeakPolarHBondContact CA-O 3.22Å; A90-A124 HydrophobicContact CB-CB 3.84Å; A90-L126 HydrophobicContact CB-CD1 3.81Å; A90-L126 HydrophobicContact CB-CD2 4.45Å; A90-L126 HydrophobicContact CB-CG 4.07Å |
| 91 | I | 98.5 | Very high | 96.9 | Very high | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 138.9 | 170.7 | -169.9 | 78.7 | 0 | 0 | 0 | 109.7 | K56 H57 W61 F89 P93 L108 A124 L125 L126 | K56-I91 WeakPolarHBondContact O-CD1 3.48Å; H57-I91 WeakPolarHBondContact O-CD1 3.25Å; W61-I91 HydrophobicContact CB-CD1 3.92Å; W61-I91 HydrophobicContact CB-CG1 4.19Å; F89-I91 HydrophobicContact CE1-CB 4.22Å; F89-I91 HydrophobicContact CZ-CD1 4.47Å; I91-P93 VanDerWaalsContact C-CD 3.48Å; I91-P93 VanDerWaalsContact O-CD 3.24Å; I91-P93 WeakPolarHBondContact O-CD 3.35Å; I91-L108 HydrophobicContact CG1-CD1 4.11Å; I91-L108 HydrophobicContact CG2-CD1 3.93Å; I91-A124 PolarHBondContact N-O 3.06Å; I91-L125 HydrophobicContact CG2-CD2 3.34Å; I91-L126 PolarHBondContact O-N 3.29Å |
| 92 | S | 98 | Very high | 96.9 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | -117.7 | 74.3 | -172.6 | -62.1 | 0 | 0 | 0 | 0 | 111.7 | H57 G94 L126 | H57-S92 PolarHBondContact CE1-OG 2.83Å; H57-S92 PolarHBondContact NE2-OG 3.31Å; H57-S92 PolarHBondContact O-N 2.76Å; S92-G94 VanDerWaalsContact C-N 3.25Å; S92-G94 PolarHBondContact O-N 3.47Å; S92-L126 WeakPolarHBondContact OG-CB 3.37Å | ||
| 93 | P | 96.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -78.8 | -3.8 | -175.3 | 33.1 | -36.6 | 0 | 0 | 0 | 114.1 | W61 I91 L95 V97 F127 F152 | W61-P93 HydrophobicContact CD2-CB 3.7Å; W61-P93 HydrophobicContact CE3-CB 4.08Å; W61-P93 HydrophobicContact CG-CB 4.09Å; W61-P93 HydrophobicContact CH2-CB 4.43Å; W61-P93 HydrophobicContact CZ2-CB 4.08Å; W61-P93 HydrophobicContact CZ3-CB 4.44Å; I91-P93 VanDerWaalsContact C-CD 3.48Å; I91-P93 VanDerWaalsContact O-CD 3.24Å; I91-P93 WeakPolarHBondContact O-CD 3.35Å; P93-L95 VanDerWaalsContact C-N 3.26Å; P93-L95 PolarHBondContact O-N 3.4Å; P93-L95 VanDerWaalsContact O-N 3.1Å; P93-V97 HydrophobicContact CB-CB 4.23Å; P93-V97 HydrophobicContact CB-CG1 4.45Å; P93-V97 WeakPolarHBondContact O-CB 3.41Å; P93-V97 WeakPolarHBondContact O-CG1 3.49Å; P93-V97 PolarHBondContact O-N 2.98Å; P93-F127 HydrophobicContact CG-CE1 4.01Å; P93-F127 HydrophobicContact CG-CZ 4.38Å; P93-F152 HydrophobicContact CG-CE1 4.08Å |
| 94 | G | 94.9 | Very high | 96.9 | Very high | 16 Ų | 16 | 33.3 Ų | 33.3 | 17% | 0.165 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -65.8 | -15 | -164.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | S92 | S92-G94 VanDerWaalsContact C-N 3.25Å; S92-G94 PolarHBondContact O-N 3.47Å |
| 95 | L | 93.7 | Very high | 96.9 | Very high | 93 Ų | 93 | 31.2 Ų | 31.2 | 49% | 0.487 | 18% | 0.179 | S | C | . | . | G | 310 helix | trans | -67.6 | -39.7 | -177.1 | -71.2 | 178.3 | 0 | 0 | 0 | 113 | R58 P93 I130 | R58-L95 HydrophobicContact CG-CD1 3.83Å; R58-L95 HydrophobicContact CG-CG 4.37Å; P93-L95 VanDerWaalsContact C-N 3.26Å; P93-L95 PolarHBondContact O-N 3.4Å; P93-L95 VanDerWaalsContact O-N 3.1Å; L95-I130 HydrophobicContact CD2-CG2 4.14Å |
| 96 | D | 94.4 | Very high | 96.9 | Very high | 79 Ų | 79 | 35.1 Ų | 35.1 | 42% | 0.422 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -147.6 | 11.2 | -168.4 | 74 | -11.8 | 0 | 0 | 0 | 114.2 | W61 R62 | W61-D96 PolarHBondContact NE1-OD1 2.83Å; R62-D96 IonicContact CZ-OD1 3.48Å; R62-D96 IonicContact CZ-OD2 3.52Å; R62-D96 IonicContact NH1-OD1 3.47Å; R62-D96 PolarHBondContact NH1-OD1 2.88Å; R62-D96 IonicContact NH1-OD2 3.62Å; R62-D96 PolarHBondContact NH1-OD2 3.41Å; R62-D96 PolarHBondContact NH2-O 3.39Å; R62-D96 IonicContact NH2-OD1 2.7Å; R62-D96 PolarHBondContact NH2-OD1 3.44Å; R62-D96 IonicContact NH2-OD2 2.66Å |
| 97 | V | 96 | Very high | 96.9 | Very high | 10 Ų | 10 | 34 Ų | 34 | 6% | 0.061 | 19% | 0.193 | C | C | . | . | trans | -66.9 | 136.2 | 177.3 | 64.1 | 0 | 0 | 0 | 0 | 111.1 | W61 P93 F99 E104 F152 | W61-V97 HydrophobicContact CH2-CG2 4.22Å; W61-V97 HydrophobicContact CZ2-CB 3.93Å; W61-V97 HydrophobicContact CZ2-CG2 3.93Å; P93-V97 HydrophobicContact CB-CB 4.23Å; P93-V97 HydrophobicContact CB-CG1 4.45Å; P93-V97 WeakPolarHBondContact O-CB 3.41Å; P93-V97 WeakPolarHBondContact O-CG1 3.49Å; P93-V97 PolarHBondContact O-N 2.98Å; V97-F99 HydrophobicContact CG1-CD1 4.01Å; V97-F99 HydrophobicContact CG1-CD2 4.21Å; V97-F99 HydrophobicContact CG1-CE1 3.54Å; V97-F99 HydrophobicContact CG1-CE2 3.75Å; V97-F99 HydrophobicContact CG1-CG 4.32Å; V97-F99 HydrophobicContact CG1-CZ 3.39Å; V97-E104 HydrophobicContact CG2-CB 4.4Å; V97-F152 HydrophobicContact CG2-CE2 4.08Å; V97-F152 HydrophobicContact CG2-CZ 3.96Å | ||
| 98 | T | 96.9 | Very high | 96.9 | Very high | 40 Ų | 40 | 33.7 Ų | 33.7 | 25% | 0.245 | 19% | 0.192 | C | C | . | . | trans | -96.1 | 100.6 | 164 | -58.1 | 0 | 0 | 0 | 0 | 108.3 | S100 S101 A137 | T98-S100 VanDerWaalsContact C-N 3.25Å; T98-S100 PolarHBondContact O-N 2.97Å; T98-S101 WeakPolarHBondContact O-CB 3.4Å; T98-S101 PolarHBondContact O-N 3.18Å; T98-S101 VanDerWaalsContact O-N 3.1Å; T98-A137 HydrophobicContact CG2-CB 4.25Å | ||
| 99 | F | 96.7 | Very high | 96.9 | Very high | 17 Ų | 17 | 35.4 Ų | 35.4 | 8% | 0.075 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -31.1 | -170.3 | -66.3 | -79.5 | 0 | 0 | 0 | 113.8 | V97 S101 F127 L134 D138 F142 A148 Q149 F152 | V97-F99 HydrophobicContact CG1-CD1 4.01Å; V97-F99 HydrophobicContact CG1-CD2 4.21Å; V97-F99 HydrophobicContact CG1-CE1 3.54Å; V97-F99 HydrophobicContact CG1-CE2 3.75Å; V97-F99 HydrophobicContact CG1-CG 4.32Å; V97-F99 HydrophobicContact CG1-CZ 3.39Å; F99-S101 VanDerWaalsContact C-N 3.31Å; F99-F127 HydrophobicContact CE1-CD1 4.4Å; F99-F127 AromaticContact CE1-CE1 3.61Å; F99-F127 HydrophobicContact CE1-CE1 3.61Å; F99-F127 HydrophobicContact CE1-CZ 4.12Å; F99-F127 HydrophobicContact CZ-CD1 4.31Å; F99-F127 AromaticContact CZ-CE1 3.94Å; F99-F127 HydrophobicContact CZ-CE1 3.94Å; F99-L134 HydrophobicContact CD2-CD2 3.93Å; F99-L134 HydrophobicContact CE2-CD2 4.16Å; F99-D138 WeakPolarHBondContact CD2-OD2 3.43Å; F99-D138 VanDerWaalsContact N-CG 3.34Å; F99-D138 PolarHBondContact N-OD1 3.22Å; F99-D138 PolarHBondContact N-OD2 3.12Å; F99-F142 HydrophobicContact CB-CD2 4.38Å; F99-F142 HydrophobicContact CB-CE2 3.77Å; F99-F142 HydrophobicContact CB-CZ 4.49Å; F99-A148 HydrophobicContact CB-CB 3.86Å; F99-A148 HydrophobicContact CD1-CB 4.36Å; F99-A148 HydrophobicContact CD2-CB 3.85Å; F99-A148 HydrophobicContact CE2-CB 4.49Å; F99-A148 HydrophobicContact CG-CB 3.77Å; F99-Q149 HydrophobicContact CE1-CB 4.48Å; F99-Q149 HydrophobicContact CE1-CG 3.87Å; F99-Q149 HydrophobicContact CE2-CG 4.47Å; F99-Q149 HydrophobicContact CZ-CG 3.67Å; F99-F152 HydrophobicContact CD1-CB 3.85Å; F99-F152 HydrophobicContact CD1-CD1 4.37Å; F99-F152 HydrophobicContact CD1-CD2 4.09Å; F99-F152 AromaticContact CD1-CG 3.87Å; F99-F152 HydrophobicContact CD1-CG 3.87Å; F99-F152 HydrophobicContact CE1-CB 4.44Å; F99-F152 HydrophobicContact CE1-CD1 4.48Å; F99-F152 HydrophobicContact CE1-CG 4.4Å |
| 100 | S | 96.2 | Very high | 96.9 | Very high | 41 Ų | 41 | 41.7 Ų | 41.7 | 29% | 0.287 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -11 | -179.7 | 56.4 | 0 | 0 | 0 | 0 | 113.7 | T98 A102 D138 | T98-S100 VanDerWaalsContact C-N 3.25Å; T98-S100 PolarHBondContact O-N 2.97Å; S100-A102 PolarHBondContact O-N 3.38Å; S100-D138 WeakPolarHBondContact CB-OD1 3.42Å; S100-D138 PolarHBondContact N-OD1 2.59Å; S100-D138 PolarHBondContact OG-OD1 2.78Å |
| 101 | S | 96.9 | Very high | 96.9 | Very high | 36 Ų | 36 | 41.7 Ų | 41.7 | 25% | 0.252 | 23% | 0.227 | S | C | . | . | trans | -81.8 | 112.3 | -177.2 | 178.1 | 0 | 0 | 0 | 0 | 111.5 | T98 F99 K103 E104 V105 | T98-S101 WeakPolarHBondContact O-CB 3.4Å; T98-S101 PolarHBondContact O-N 3.18Å; T98-S101 VanDerWaalsContact O-N 3.1Å; F99-S101 VanDerWaalsContact C-N 3.31Å; S101-K103 PolarHBondContact O-N 2.92Å; S101-K103 VanDerWaalsContact O-N 3.15Å; S101-E104 WeakPolarHBondContact O-CB 3.48Å; S101-E104 PolarHBondContact O-N 3.28Å; S101-E104 PolarHBondContact OG-N 2.84Å; S101-V105 PolarHBondContact O-N 3.25Å | ||
| 102 | A | 96 | Very high | 96.8 | Very high | 71 Ų | 71 | 41.8 Ų | 41.8 | 59% | 0.587 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -55.9 | -32.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | S100 V105 D106 | S100-A102 PolarHBondContact O-N 3.38Å; A102-V105 PolarHBondContact O-N 2.97Å; A102-D106 WeakPolarHBondContact O-CB 3.43Å; A102-D106 PolarHBondContact O-N 3.17Å |
| 103 | K | 97.2 | Very high | 96.8 | Very high | 153 Ų | 153 | 44.2 Ų | 44.2 | 67% | 0.665 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -64.1 | -41.8 | 176.3 | -176.4 | -173.5 | 174.6 | -169.4 | 0 | 111.8 | S101 D106 I107 | S101-K103 PolarHBondContact O-N 2.92Å; S101-K103 VanDerWaalsContact O-N 3.15Å; K103-D106 PolarHBondContact O-N 3.03Å; K103-I107 HydrophobicContact CG-CD1 4.14Å; K103-I107 VanDerWaalsContact O-CG1 3.25Å; K103-I107 WeakPolarHBondContact O-CG1 3.38Å; K103-I107 PolarHBondContact O-N 3.38Å |
| 104 | E | 96.6 | Very high | 96.9 | Very high | 23 Ų | 23 | 45 Ų | 45 | 11% | 0.107 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -67.1 | -42.1 | 179 | -67.7 | -74.6 | -165.3 | 0 | 0 | 111.2 | W61 R62 V97 S101 D106 I107 L108 | W61-E104 HydrophobicContact CH2-CB 4.38Å; W61-E104 WeakPolarHBondContact CH2-OE2 3.12Å; W61-E104 WeakPolarHBondContact CZ2-OE2 3.39Å; R62-E104 IonicContact CZ-OE1 3.4Å; R62-E104 VanDerWaalsContact CZ-OE1 3.31Å; R62-E104 IonicContact CZ-OE2 2.75Å; R62-E104 VanDerWaalsContact NE-CD 3.29Å; R62-E104 IonicContact NE-OE1 3.22Å; R62-E104 PolarHBondContact NE-OE1 3.09Å; R62-E104 IonicContact NE-OE2 3.5Å; R62-E104 PolarHBondContact NE-OE2 3.2Å; R62-E104 IonicContact NH2-OE1 2.76Å; R62-E104 PolarHBondContact NH2-OE1 2.86Å; R62-E104 IonicContact NH2-OE2 3.69Å; V97-E104 HydrophobicContact CG2-CB 4.4Å; S101-E104 WeakPolarHBondContact O-CB 3.48Å; S101-E104 PolarHBondContact O-N 3.28Å; S101-E104 PolarHBondContact OG-N 2.84Å; E104-D106 VanDerWaalsContact C-N 3.34Å; E104-D106 PolarHBondContact O-N 3.39Å; E104-I107 PolarHBondContact O-N 3.16Å; E104-L108 PolarHBondContact O-N 3.19Å |
| 105 | V | 96.8 | Very high | 97.1 | Very high | 6 Ų | 6 | 44.2 Ų | 44.2 | 4% | 0.036 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.1 | -45.8 | 173.6 | 176.9 | 0 | 0 | 0 | 0 | 111 | S101 A102 I107 L108 K109 F152 E155 | S101-V105 PolarHBondContact O-N 3.25Å; A102-V105 PolarHBondContact O-N 2.97Å; V105-I107 VanDerWaalsContact C-N 3.35Å; V105-I107 PolarHBondContact O-N 3.06Å; V105-L108 PolarHBondContact O-N 3.33Å; V105-K109 HydrophobicContact CG1-CD 4.18Å; V105-K109 WeakPolarHBondContact O-CG 3.48Å; V105-K109 PolarHBondContact O-N 2.82Å; V105-F152 HydrophobicContact CG2-CD2 3.87Å; V105-F152 HydrophobicContact CG2-CE2 3.71Å; V105-E155 VanDerWaalsContact CG1-CD 3.46Å; V105-E155 HydrophobicContact CG1-CG 4.12Å; V105-E155 WeakPolarHBondContact CG1-OE1 3.19Å |
| 106 | D | 97.8 | Very high | 97.2 | Very high | 83 Ų | 83 | 41.2 Ų | 41.2 | 44% | 0.444 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -65.5 | -35.2 | 178.1 | -76.3 | -17.7 | 0 | 0 | 0 | 113 | A102 K103 E104 K110 | A102-D106 WeakPolarHBondContact O-CB 3.43Å; A102-D106 PolarHBondContact O-N 3.17Å; K103-D106 PolarHBondContact O-N 3.03Å; E104-D106 VanDerWaalsContact C-N 3.34Å; E104-D106 PolarHBondContact O-N 3.39Å; D106-K110 WeakPolarHBondContact O-CG 3.4Å; D106-K110 PolarHBondContact O-N 2.82Å; D106-K110 VanDerWaalsContact O-N 3.08Å |
| 107 | I | 98 | Very high | 97.4 | Very high | 37 Ų | 37 | 45.7 Ų | 45.7 | 19% | 0.19 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.6 | -48 | 173.1 | -72.5 | 164.3 | 0 | 0 | 0 | 109.9 | W61 R62 K103 E104 V105 K109 K110 K111 | W61-I107 HydrophobicContact CZ3-CG2 4.15Å; R62-I107 HydrophobicContact CB-CG2 3.77Å; R62-I107 HydrophobicContact CG-CG2 3.95Å; K103-I107 HydrophobicContact CG-CD1 4.14Å; K103-I107 VanDerWaalsContact O-CG1 3.25Å; K103-I107 WeakPolarHBondContact O-CG1 3.38Å; K103-I107 PolarHBondContact O-N 3.38Å; E104-I107 PolarHBondContact O-N 3.16Å; V105-I107 VanDerWaalsContact C-N 3.35Å; V105-I107 PolarHBondContact O-N 3.06Å; I107-K109 PolarHBondContact O-N 2.93Å; I107-K110 WeakPolarHBondContact O-CB 3.42Å; I107-K110 PolarHBondContact O-N 2.9Å; I107-K111 PolarHBondContact O-N 2.74Å |
| 108 | L | 97.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64 | -42.5 | 179.2 | -172.8 | 56.6 | 0 | 0 | 0 | 112 | W61 I91 E104 V105 K110 K111 V112 L125 F152 I156 | W61-L108 HydrophobicContact CE3-CD1 4.17Å; W61-L108 HydrophobicContact CZ3-CB 3.91Å; W61-L108 HydrophobicContact CZ3-CD1 4.17Å; I91-L108 HydrophobicContact CG1-CD1 4.11Å; I91-L108 HydrophobicContact CG2-CD1 3.93Å; E104-L108 PolarHBondContact O-N 3.19Å; V105-L108 PolarHBondContact O-N 3.33Å; L108-K110 VanDerWaalsContact C-N 3.31Å; L108-K110 PolarHBondContact O-N 2.93Å; L108-K111 PolarHBondContact O-N 2.89Å; L108-K111 VanDerWaalsContact O-N 3.1Å; L108-V112 HydrophobicContact CD1-CG1 4.28Å; L108-V112 WeakPolarHBondContact O-CG2 3.31Å; L108-V112 PolarHBondContact O-N 2.97Å; L108-L125 HydrophobicContact CD2-CD2 4.12Å; L108-F152 HydrophobicContact CB-CZ 4.35Å; L108-F152 HydrophobicContact CD2-CD1 4.3Å; L108-F152 HydrophobicContact CD2-CE1 3.19Å; L108-F152 HydrophobicContact CD2-CZ 3.32Å; L108-F152 HydrophobicContact CG-CZ 4.47Å; L108-I156 HydrophobicContact CB-CD1 4.09Å; L108-I156 HydrophobicContact CD2-CD1 3.81Å; L108-I156 HydrophobicContact CD2-CG1 3.72Å; L108-I156 HydrophobicContact CG-CD1 3.86Å; L108-I156 HydrophobicContact CG-CG1 4.25Å |
| 109 | K | 98.4 | Very high | 97.5 | Very high | 36 Ų | 36 | 45.7 Ų | 45.7 | 16% | 0.157 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -53.6 | -47.2 | 173.6 | -75.6 | 173.6 | -178.9 | 161 | 0 | 111.3 | V105 I107 K111 V112 D113 E155 I156 H159 | V105-K109 HydrophobicContact CG1-CD 4.18Å; V105-K109 WeakPolarHBondContact O-CG 3.48Å; V105-K109 PolarHBondContact O-N 2.82Å; I107-K109 PolarHBondContact O-N 2.93Å; K109-K111 PolarHBondContact O-N 2.93Å; K109-V112 VanDerWaalsContact O-CG2 3.27Å; K109-V112 WeakPolarHBondContact O-CG2 3.35Å; K109-V112 PolarHBondContact O-N 3.43Å; K109-D113 VanDerWaalsContact O-CB 3.28Å; K109-D113 WeakPolarHBondContact O-CB 3.29Å; K109-D113 PolarHBondContact O-N 2.91Å; K109-E155 IonicContact NZ-OE1 3.31Å; K109-E155 PolarHBondContact NZ-OE1 2.86Å; K109-I156 HydrophobicContact CG-CD1 3.89Å; K109-H159 HydrophobicContact CG-CB 4.33Å |
| 110 | K | 98.2 | Very high | 97.5 | Very high | 133 Ų | 133 | 45 Ų | 45 | 58% | 0.578 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -61.1 | -40.9 | 176.4 | -72.4 | 171.3 | -176.3 | 174.5 | 0 | 112.7 | L64 D106 I107 L108 D113 Q114 | L64-K110 HydrophobicContact CD2-CB 4.5Å; D106-K110 WeakPolarHBondContact O-CG 3.4Å; D106-K110 PolarHBondContact O-N 2.82Å; D106-K110 VanDerWaalsContact O-N 3.08Å; I107-K110 WeakPolarHBondContact O-CB 3.42Å; I107-K110 PolarHBondContact O-N 2.9Å; L108-K110 VanDerWaalsContact C-N 3.31Å; L108-K110 PolarHBondContact O-N 2.93Å; K110-D113 PolarHBondContact O-N 3.22Å; K110-Q114 PolarHBondContact O-N 2.99Å |
| 111 | K | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.1 | -46.4 | 178.8 | -174.4 | 63.7 | 176.2 | -81.4 | 0 | 111.9 | K56 W61 D63 L64 Y65 I107 L108 K109 D113 Q114 V115 | K56-K111 PolarHBondContact O-NZ 3.24Å; W61-K111 PolarHBondContact O-NZ 3.24Å; D63-K111 WeakPolarHBondContact O-CE 3.47Å; D63-K111 PolarHBondContact O-NZ 2.54Å; L64-K111 HydrophobicContact CD2-CB 4.15Å; L64-K111 HydrophobicContact CD2-CD 3.9Å; Y65-K111 HydrophobicContact CD2-CD 4.43Å; Y65-K111 HydrophobicContact CE2-CD 4.38Å; I107-K111 PolarHBondContact O-N 2.74Å; L108-K111 PolarHBondContact O-N 2.89Å; L108-K111 VanDerWaalsContact O-N 3.1Å; K109-K111 PolarHBondContact O-N 2.93Å; K111-D113 VanDerWaalsContact C-N 3.34Å; K111-D113 PolarHBondContact O-N 2.9Å; K111-Q114 WeakPolarHBondContact O-CB 3.46Å; K111-Q114 PolarHBondContact O-N 2.96Å; K111-V115 PolarHBondContact O-N 3.48Å |
| 112 | V | 98.2 | Very high | 97.6 | Very high | 3 Ų | 3 | 48.9 Ų | 48.9 | 2% | 0.018 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -69 | -33.1 | 177.4 | -59 | 0 | 0 | 0 | 0 | 112 | L108 K109 V115 S116 F123 I156 L160 | L108-V112 HydrophobicContact CD1-CG1 4.28Å; L108-V112 WeakPolarHBondContact O-CG2 3.31Å; L108-V112 PolarHBondContact O-N 2.97Å; K109-V112 VanDerWaalsContact O-CG2 3.27Å; K109-V112 WeakPolarHBondContact O-CG2 3.35Å; K109-V112 PolarHBondContact O-N 3.43Å; V112-V115 PolarHBondContact O-N 3.46Å; V112-S116 VanDerWaalsContact O-CB 3.25Å; V112-S116 WeakPolarHBondContact O-CB 3.33Å; V112-S116 PolarHBondContact O-N 3.15Å; V112-F123 HydrophobicContact CB-CE1 4.35Å; V112-I156 HydrophobicContact CG1-CG2 4.34Å; V112-I156 HydrophobicContact CG2-CG2 4.34Å; V112-L160 HydrophobicContact CB-CD1 4.3Å; V112-L160 HydrophobicContact CB-CD2 4.12Å; V112-L160 HydrophobicContact CG2-CD1 4.21Å; V112-L160 HydrophobicContact CG2-CD2 3.85Å; V112-L160 HydrophobicContact CG2-CG 4.1Å |
| 113 | D | 98.2 | Very high | 97.7 | Very high | 51 Ų | 51 | 45.9 Ų | 45.9 | 27% | 0.273 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -65.3 | -38.2 | 172.9 | -74.6 | -15.6 | 0 | 0 | 0 | 112 | K109 K110 K111 S116 K117 H159 | K109-D113 VanDerWaalsContact O-CB 3.28Å; K109-D113 WeakPolarHBondContact O-CB 3.29Å; K109-D113 PolarHBondContact O-N 2.91Å; K110-D113 PolarHBondContact O-N 3.22Å; K111-D113 VanDerWaalsContact C-N 3.34Å; K111-D113 PolarHBondContact O-N 2.9Å; D113-S116 PolarHBondContact O-N 2.85Å; D113-K117 WeakPolarHBondContact O-CD 3.49Å; D113-K117 VanDerWaalsContact O-CG 3.23Å; D113-K117 WeakPolarHBondContact O-CG 3.33Å; D113-K117 PolarHBondContact O-N 3.33Å; D113-H159 VanDerWaalsContact CG-NE2 3.32Å; D113-H159 IonicContact OD1-CD2 3.53Å; D113-H159 IonicContact OD1-NE2 3.57Å; D113-H159 PolarHBondContact OD1-NE2 3.42Å; D113-H159 IonicContact OD2-CE1 3.03Å; D113-H159 IonicContact OD2-NE2 2.73Å; D113-H159 PolarHBondContact OD2-NE2 3.15Å; D113-H159 VanDerWaalsContact OD2-NE2 3.1Å |
| 114 | Q | 98.2 | Very high | 97.8 | Very high | 16 Ų | 16 | 38.7 Ų | 38.7 | 8% | 0.075 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -56.6 | -53.3 | 174 | -173.1 | -177.3 | 39.9 | 0 | 0 | 110 | Y65 E70 K110 K111 S116 K117 L118 | Y65-Q114 PolarHBondContact O-NE2 2.74Å; E70-Q114 HydrophobicContact CG-CG 4.34Å; E70-Q114 VanDerWaalsContact OE1-CD 3.31Å; E70-Q114 WeakPolarHBondContact OE1-CG 3.28Å; E70-Q114 PolarHBondContact OE1-NE2 2.98Å; K110-Q114 PolarHBondContact O-N 2.99Å; K111-Q114 WeakPolarHBondContact O-CB 3.46Å; K111-Q114 PolarHBondContact O-N 2.96Å; Q114-S116 PolarHBondContact O-N 3.11Å; Q114-K117 WeakPolarHBondContact O-CB 3.45Å; Q114-K117 PolarHBondContact O-N 3.45Å; Q114-L118 WeakPolarHBondContact O-CG 3.3Å; Q114-L118 PolarHBondContact O-N 2.97Å |
| 115 | V | 97.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -69.3 | -35.2 | -178.7 | -176.8 | 0 | 0 | 0 | 0 | 112.4 | Y65 L73 I77 F89 K111 V112 K117 L118 C120 | Y65-V115 HydrophobicContact CD2-CG2 4.23Å; Y65-V115 HydrophobicContact CE2-CG2 3.87Å; L73-V115 HydrophobicContact CD2-CG1 4.22Å; L73-V115 HydrophobicContact CD2-CG2 4.03Å; I77-V115 HydrophobicContact CD1-CG1 4.31Å; F89-V115 HydrophobicContact CB-CG1 3.98Å; F89-V115 HydrophobicContact CD1-CB 4.34Å; F89-V115 HydrophobicContact CD1-CG1 4.15Å; F89-V115 HydrophobicContact CD1-CG2 4.21Å; F89-V115 HydrophobicContact CD2-CG1 3.85Å; F89-V115 HydrophobicContact CD2-CG2 4.22Å; F89-V115 HydrophobicContact CE1-CG2 3.92Å; F89-V115 HydrophobicContact CE2-CG1 4.39Å; F89-V115 HydrophobicContact CE2-CG2 3.94Å; F89-V115 HydrophobicContact CG-CB 4.38Å; F89-V115 HydrophobicContact CG-CG1 3.71Å; F89-V115 HydrophobicContact CG-CG2 4.35Å; F89-V115 HydrophobicContact CZ-CG2 3.79Å; K111-V115 PolarHBondContact O-N 3.48Å; V112-V115 PolarHBondContact O-N 3.46Å; V115-K117 VanDerWaalsContact C-N 3.31Å; V115-K117 PolarHBondContact O-N 3.27Å; V115-L118 WeakPolarHBondContact O-CB 3.34Å; V115-L118 PolarHBondContact O-N 3.4Å; V115-L118 VanDerWaalsContact O-N 3.13Å; V115-C120 HydrophobicContact CG1-CB 3.76Å |
| 116 | S | 97.7 | Very high | 97.9 | Very high | 31 Ų | 31 | 37.4 Ų | 37.4 | 22% | 0.217 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.6 | -38.5 | 174 | -175 | 0 | 0 | 0 | 0 | 112.3 | V112 D113 Q114 L118 G119 R121 | V112-S116 VanDerWaalsContact O-CB 3.25Å; V112-S116 WeakPolarHBondContact O-CB 3.33Å; V112-S116 PolarHBondContact O-N 3.15Å; D113-S116 PolarHBondContact O-N 2.85Å; Q114-S116 PolarHBondContact O-N 3.11Å; S116-L118 VanDerWaalsContact C-N 3.26Å; S116-L118 PolarHBondContact O-N 3.44Å; S116-G119 PolarHBondContact O-N 2.84Å; S116-G119 VanDerWaalsContact O-N 3.14Å; S116-R121 PolarHBondContact O-NH1 3.42Å; S116-R121 PolarHBondContact OG-NH1 3Å |
| 117 | K | 97.6 | Very high | 98 | Very high | 172 Ų | 172 | 33.5 Ų | 33.5 | 75% | 0.748 | 16% | 0.161 | S | C | * | . | H | α-helix | trans | -65.8 | -26.8 | 175.6 | -72.6 | 165.2 | -173.4 | 170.7 | 0 | 113 | D113 Q114 V115 G119 | D113-K117 WeakPolarHBondContact O-CD 3.49Å; D113-K117 VanDerWaalsContact O-CG 3.23Å; D113-K117 WeakPolarHBondContact O-CG 3.33Å; D113-K117 PolarHBondContact O-N 3.33Å; Q114-K117 WeakPolarHBondContact O-CB 3.45Å; Q114-K117 PolarHBondContact O-N 3.45Å; V115-K117 VanDerWaalsContact C-N 3.31Å; V115-K117 PolarHBondContact O-N 3.27Å; K117-G119 PolarHBondContact O-N 3Å |
| 118 | L | 97.6 | Very high | 97.9 | Very high | 18 Ų | 18 | 32 Ų | 32 | 9% | 0.094 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -10.6 | 175.8 | -52.8 | -178.5 | 0 | 0 | 0 | 113.1 | E70 L73 Q74 I77 Q114 V115 S116 | E70-L118 HydrophobicContact CB-CD1 4.45Å; E70-L118 HydrophobicContact CB-CD2 4.34Å; L73-L118 HydrophobicContact CB-CD1 4.05Å; L73-L118 HydrophobicContact CD2-CD1 3.97Å; L73-L118 HydrophobicContact CG-CD1 4.09Å; Q74-L118 HydrophobicContact CB-CB 4.26Å; Q74-L118 HydrophobicContact CB-CD2 4.28Å; I77-L118 HydrophobicContact CD1-CB 3.85Å; Q114-L118 WeakPolarHBondContact O-CG 3.3Å; Q114-L118 PolarHBondContact O-N 2.97Å; V115-L118 WeakPolarHBondContact O-CB 3.34Å; V115-L118 PolarHBondContact O-N 3.4Å; V115-L118 VanDerWaalsContact O-N 3.13Å; S116-L118 VanDerWaalsContact C-N 3.26Å; S116-L118 PolarHBondContact O-N 3.44Å |
| 119 | G | 96.4 | Very high | 97.7 | Very high | 33 Ų | 33 | 35.2 Ų | 35.2 | 34% | 0.34 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 117 | -4.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | S116 K117 | S116-G119 PolarHBondContact O-N 2.84Å; S116-G119 VanDerWaalsContact O-N 3.14Å; K117-G119 PolarHBondContact O-N 3Å |
| 120 | C | 97.6 | Very high | 97.5 | Very high | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.014 | 17% | 0.17 | C | C | . | . | trans | -68.7 | 142.3 | 177.4 | -171.4 | 0 | 0 | 0 | 0 | 111.6 | I77 V115 A122 F123 | I77-C120 HydrophobicContact CD1-CB 3.98Å; V115-C120 HydrophobicContact CG1-CB 3.76Å; C120-A122 PolarHBondContact SG-O 2.78Å; C120-F123 HydrophobicContact CB-CZ 4.45Å | ||
| 121 | R | 96.1 | Very high | 97 | Very high | 157 Ų | 157 | 34 Ų | 34 | 59% | 0.592 | 17% | 0.168 | S | C | * | . | trans | -131.3 | -3.6 | -177 | -61.1 | -66.3 | 177 | -111.1 | 1.9 | 114.1 | S116 P163 | S116-R121 PolarHBondContact O-NH1 3.42Å; S116-R121 PolarHBondContact OG-NH1 3Å; R121-P163 WeakPolarHBondContact O-CB 3.39Å | ||
| 122 | A | 98.2 | Very high | 96.4 | Very high | 2 Ų | 2 | 38 Ų | 38 | 2% | 0.017 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 137.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | L86 I88 F89 C120 V165 | L86-A122 HydrophobicContact CD1-CB 4.06Å; L86-A122 HydrophobicContact CD2-CB 4.11Å; L86-A122 HydrophobicContact CG-CB 4.14Å; I88-A122 WeakPolarHBondContact CA-O 3.48Å; I88-A122 HydrophobicContact CB-CB 4.25Å; I88-A122 HydrophobicContact CG1-CB 3.89Å; I88-A122 HydrophobicContact CG2-CB 4.18Å; F89-A122 PolarHBondContact N-O 3.16Å; C120-A122 PolarHBondContact SG-O 2.78Å; A122-V165 WeakPolarHBondContact CA-O 3.49Å; A122-V165 HydrophobicContact CB-CB 3.82Å; A122-V165 HydrophobicContact CB-CG1 4.02Å |
| 123 | F | 98.7 | Very high | 95.9 | Very high | 8 Ų | 8 | 46.8 Ų | 46.8 | 4% | 0.035 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 158.5 | -169.4 | -62 | -89.6 | 0 | 0 | 0 | 111.8 | F89 V112 C120 L160 P163 V165 F166 L167 | F89-F123 HydrophobicContact CB-CD1 4.24Å; F89-F123 HydrophobicContact CD1-CD1 4.21Å; F89-F123 CarbonylContact O-C 3.47Å; F89-F123 VanDerWaalsContact O-CA 3.28Å; F89-F123 WeakPolarHBondContact O-CA 3.49Å; V112-F123 HydrophobicContact CB-CE1 4.35Å; C120-F123 HydrophobicContact CB-CZ 4.45Å; F123-L160 HydrophobicContact CB-CD1 4.15Å; F123-L160 HydrophobicContact CD1-CD1 4.15Å; F123-L160 HydrophobicContact CD2-CD1 3.67Å; F123-L160 HydrophobicContact CD2-CD2 4.37Å; F123-L160 HydrophobicContact CE1-CD2 4.4Å; F123-L160 HydrophobicContact CE2-CD1 4.07Å; F123-L160 HydrophobicContact CE2-CD2 3.9Å; F123-L160 HydrophobicContact CE2-CG 4.49Å; F123-L160 HydrophobicContact CG-CD1 3.72Å; F123-L160 HydrophobicContact CZ-CD1 4.48Å; F123-L160 HydrophobicContact CZ-CD2 3.92Å; F123-P163 HydrophobicContact CD2-CG 4.31Å; F123-V165 PolarHBondContact N-O 3.13Å; F123-F166 HydrophobicContact CB-CD2 3.85Å; F123-F166 HydrophobicContact CB-CE2 3.9Å; F123-F166 CarbonylContact O-C 3.55Å; F123-F166 VanDerWaalsContact O-CA 3.25Å; F123-F166 WeakPolarHBondContact O-CA 3.31Å; F123-L167 PolarHBondContact O-N 3.3Å |
| 124 | A | 98.8 | Very high | 95.7 | Very high | 2 Ų | 2 | 45.5 Ų | 45.5 | 2% | 0.017 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 142.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112 | L48 I88 F89 A90 I91 L126 L167 | L48-A124 HydrophobicContact CD1-CB 3.86Å; I88-A124 HydrophobicContact CG2-CB 4.29Å; F89-A124 PolarHBondContact O-N 3.26Å; A90-A124 WeakPolarHBondContact CA-O 3.22Å; A90-A124 HydrophobicContact CB-CB 3.84Å; I91-A124 PolarHBondContact N-O 3.06Å; A124-L126 HydrophobicContact CB-CD2 4.22Å; A124-L167 CarbonylContact C-O 3.27Å; A124-L167 WeakPolarHBondContact CA-O 3.46Å; A124-L167 HydrophobicContact CB-CB 3.78Å; A124-L167 HydrophobicContact CB-CG 4.41Å |
| 125 | L | 98.6 | Very high | 95.4 | Very high | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 126.4 | 167.7 | -68.2 | 177.6 | 0 | 0 | 0 | 109.5 | I91 L108 F127 A153 I156 F166 L167 F168 C169 | I91-L125 HydrophobicContact CG2-CD2 3.34Å; L108-L125 HydrophobicContact CD2-CD2 4.12Å; L125-F127 HydrophobicContact CB-CE2 3.98Å; L125-F127 HydrophobicContact CB-CZ 4.45Å; L125-A153 HydrophobicContact CD1-CB 3.74Å; L125-I156 HydrophobicContact CD1-CB 4.24Å; L125-I156 HydrophobicContact CD1-CG1 4.4Å; L125-F166 HydrophobicContact CD1-CE1 4.15Å; L125-F166 HydrophobicContact CD1-CZ 3.8Å; L125-F166 HydrophobicContact CG-CE1 4.18Å; L125-F166 HydrophobicContact CG-CZ 3.83Å; L125-L167 PolarHBondContact N-O 3.15Å; L125-F168 WeakPolarHBondContact O-CA 3.47Å; L125-C169 PolarHBondContact O-N 3.18Å |
| 126 | L | 98.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 124.5 | -176.2 | -45.6 | -179.2 | 0 | 0 | 0 | 110.7 | A50 A90 I91 S92 A124 D128 C169 I202 W232 | A50-L126 HydrophobicContact CB-CD1 3.73Å; A90-L126 HydrophobicContact CB-CD1 3.81Å; A90-L126 HydrophobicContact CB-CD2 4.45Å; A90-L126 HydrophobicContact CB-CG 4.07Å; I91-L126 PolarHBondContact O-N 3.29Å; S92-L126 WeakPolarHBondContact OG-CB 3.37Å; A124-L126 HydrophobicContact CB-CD2 4.22Å; L126-D128 WeakPolarHBondContact CB-OD1 3.06Å; L126-C169 HydrophobicContact CB-CB 4.2Å; L126-C169 HydrophobicContact CD2-CB 3.58Å; L126-C169 HydrophobicContact CG-CB 4.5Å; L126-I202 HydrophobicContact CD2-CD1 3.97Å; L126-W232 HydrophobicContact CD1-CH2 4.39Å; L126-W232 HydrophobicContact CD1-CZ3 4.19Å; L126-W232 HydrophobicContact CD2-CZ3 4.3Å |
| 127 | F | 98.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | trans | -119.8 | 32.2 | 174.5 | -59.8 | -73.6 | 0 | 0 | 0 | 111.1 | P93 F99 L125 I130 Q149 F152 F168 C169 T171 | P93-F127 HydrophobicContact CG-CE1 4.01Å; P93-F127 HydrophobicContact CG-CZ 4.38Å; F99-F127 HydrophobicContact CE1-CD1 4.4Å; F99-F127 AromaticContact CE1-CE1 3.61Å; F99-F127 HydrophobicContact CE1-CE1 3.61Å; F99-F127 HydrophobicContact CE1-CZ 4.12Å; F99-F127 HydrophobicContact CZ-CD1 4.31Å; F99-F127 AromaticContact CZ-CE1 3.94Å; F99-F127 HydrophobicContact CZ-CE1 3.94Å; L125-F127 HydrophobicContact CB-CE2 3.98Å; L125-F127 HydrophobicContact CB-CZ 4.45Å; F127-I130 HydrophobicContact CB-CD1 4.05Å; F127-I130 HydrophobicContact CD1-CD1 4.32Å; F127-I130 WeakPolarHBondContact O-CG1 3.45Å; F127-Q149 HydrophobicContact CD1-CG 3.89Å; F127-Q149 HydrophobicContact CD2-CB 4.14Å; F127-Q149 HydrophobicContact CD2-CG 4.21Å; F127-Q149 HydrophobicContact CE1-CG 4.11Å; F127-Q149 HydrophobicContact CE2-CB 4.11Å; F127-Q149 HydrophobicContact CE2-CG 4.41Å; F127-Q149 HydrophobicContact CG-CB 4.38Å; F127-Q149 HydrophobicContact CG-CG 3.94Å; F127-Q149 HydrophobicContact CZ-CB 4.32Å; F127-Q149 HydrophobicContact CZ-CG 4.36Å; F127-F152 HydrophobicContact CZ-CD1 4.08Å; F127-F168 HydrophobicContact CD2-CD2 4.1Å; F127-F168 AromaticContact CD2-CE2 3.45Å; F127-F168 HydrophobicContact CD2-CE2 3.45Å; F127-F168 VanDerWaalsContact CD2-CE2 3.45Å; F127-F168 AromaticContact CD2-CZ 3.89Å; F127-F168 HydrophobicContact CD2-CZ 3.89Å; F127-F168 HydrophobicContact CE2-CD2 4.02Å; F127-F168 AromaticContact CE2-CE2 3.46Å; F127-F168 HydrophobicContact CE2-CE2 3.46Å; F127-F168 VanDerWaalsContact CE2-CE2 3.46Å; F127-F168 HydrophobicContact CE2-CZ 4.31Å; F127-C169 WeakPolarHBondContact CB-O 3.45Å; F127-C169 PolarHBondContact N-O 3.22Å; F127-T171 WeakPolarHBondContact O-CA 3.33Å; F127-T171 WeakPolarHBondContact O-CB 3.2Å; F127-T171 PolarHBondContact O-N 2.95Å; F127-T171 PolarHBondContact O-OG1 2.93Å | ||
| 128 | D | 97 | Very high | 95 | Very high | 7 Ų | 7 | 43.5 Ų | 43.5 | 4% | 0.037 | 23% | 0.229 | C | C | . | . | trans | -79.7 | 151.3 | 176 | 62.3 | -29.9 | 0 | 0 | 0 | 112 | K52 R58 L126 I130 Y173 | K52-D128 WeakPolarHBondContact CE-OD2 3.47Å; K52-D128 IonicContact NZ-OD2 3.62Å; K52-D128 PolarHBondContact NZ-OD2 3.3Å; R58-D128 PolarHBondContact NH1-O 3.29Å; R58-D128 IonicContact NH1-OD1 2.9Å; R58-D128 PolarHBondContact NH1-OD1 3.24Å; R58-D128 VanDerWaalsContact NH1-OD1 3.16Å; R58-D128 PolarHBondContact NH2-O 2.65Å; L126-D128 WeakPolarHBondContact CB-OD1 3.06Å; D128-I130 VanDerWaalsContact C-N 3.34Å; D128-I130 PolarHBondContact O-N 3.4Å; D128-Y173 HydrophobicContact CB-CD1 3.88Å; D128-Y173 HydrophobicContact CB-CE1 3.78Å | ||
| 129 | D | 93.7 | Very high | 94.9 | Very high | 66 Ų | 66 | 50.4 Ų | 50.4 | 35% | 0.353 | 25% | 0.254 | S | S | . | . | S | Bend | trans | 53.2 | 46.3 | 174.5 | -54 | -17.9 | 0 | 0 | 0 | 113.9 | Y23 R58 Y173 | Y23-D129 WeakPolarHBondContact CE2-OD2 3.39Å; Y23-D129 WeakPolarHBondContact OH-CB 3.23Å; Y23-D129 PolarHBondContact OH-OD2 3.03Å; R58-D129 PolarHBondContact NH2-O 2.89Å; D129-Y173 PolarHBondContact OD1-OH 3.46Å |
| 130 | I | 93.2 | Very high | 94.8 | Very high | 29 Ų | 29 | 57 Ų | 57 | 15% | 0.149 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -130.1 | 153.6 | 172.7 | 66.5 | 179.8 | 0 | 0 | 0 | 110.1 | L95 F127 D128 T171 | L95-I130 HydrophobicContact CD2-CG2 4.14Å; F127-I130 HydrophobicContact CB-CD1 4.05Å; F127-I130 HydrophobicContact CD1-CD1 4.32Å; F127-I130 WeakPolarHBondContact O-CG1 3.45Å; D128-I130 VanDerWaalsContact C-N 3.34Å; D128-I130 PolarHBondContact O-N 3.4Å; I130-T171 HydrophobicContact CG1-CG2 4.02Å; I130-T171 WeakPolarHBondContact O-CG2 3.28Å |
| 131 | E | 88 | Confident | 94.8 | Very high | 116 Ų | 116 | 61.4 Ų | 61.4 | 54% | 0.542 | 30% | 0.302 | S | S | . | . | trans | -71.1 | 140.2 | 169.6 | -64.2 | -174 | 158.8 | 0 | 0 | 110 | R133 | E131-R133 HydrophobicContact CB-CG 4.21Å; E131-R133 PolarHBondContact O-N 3.19Å; E131-R133 IonicContact OE1-CZ 2.7Å; E131-R133 IonicContact OE1-NH1 3.24Å; E131-R133 VanDerWaalsContact OE2-CD 3.25Å; E131-R133 WeakPolarHBondContact OE2-CD 3.48Å; E131-R133 IonicContact OE2-CZ 2.75Å; E131-R133 IonicContact OE2-NE 3.63Å; E131-R133 PolarHBondContact OE2-NE 2.98Å; E131-R133 IonicContact OE2-NH1 3.47Å; E131-R133 PolarHBondContact OE2-NH1 3.48Å; E131-R133 IonicContact OE2-NH2 3.44Å | ||
| 132 | P | 86.3 | Confident | 94.7 | Very high | 84 Ų | 84 | 55.4 Ų | 55.4 | 55% | 0.545 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -76.7 | 42.7 | 178.5 | 33.4 | -36.8 | 0 | 0 | 0 | 112.2 | ||
| 133 | R | 87.7 | Confident | 94.5 | Very high | 186 Ų | 186 | 62.1 Ų | 62.1 | 70% | 0.702 | 32% | 0.316 | S | S | * | . | P | Polyproline II helix | trans | -102.6 | 136.9 | -179 | -66.2 | -175.7 | -175.5 | 156.3 | -1.9 | 110.6 | E131 | E131-R133 HydrophobicContact CB-CG 4.21Å; E131-R133 PolarHBondContact O-N 3.19Å; E131-R133 IonicContact OE1-CZ 2.7Å; E131-R133 IonicContact OE1-NH1 3.24Å; E131-R133 VanDerWaalsContact OE2-CD 3.25Å; E131-R133 WeakPolarHBondContact OE2-CD 3.48Å; E131-R133 IonicContact OE2-CZ 2.75Å; E131-R133 IonicContact OE2-NE 3.63Å; E131-R133 PolarHBondContact OE2-NE 2.98Å; E131-R133 IonicContact OE2-NH1 3.47Å; E131-R133 PolarHBondContact OE2-NH1 3.48Å; E131-R133 IonicContact OE2-NH2 3.44Å |
| 134 | L | 92.7 | Very high | 94.3 | Very high | 24 Ų | 24 | 63.4 Ų | 63.4 | 13% | 0.126 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -96.1 | 141.2 | 172.6 | -72.2 | -178.2 | 0 | 0 | 0 | 110.4 | F99 D138 R139 F142 A148 | F99-L134 HydrophobicContact CD2-CD2 3.93Å; F99-L134 HydrophobicContact CE2-CD2 4.16Å; L134-D138 HydrophobicContact CB-CB 4.01Å; L134-D138 HydrophobicContact CD1-CB 4.32Å; L134-D138 HydrophobicContact CD2-CB 3.91Å; L134-D138 HydrophobicContact CG-CB 4.3Å; L134-R139 HydrophobicContact CB-CG 3.63Å; L134-R139 HydrophobicContact CD1-CG 4.47Å; L134-R139 PolarHBondContact O-NE 3.09Å; L134-F142 HydrophobicContact CD1-CB 4.04Å; L134-A148 HydrophobicContact CD2-CB 3.86Å |
| 135 | C | 92.5 | Very high | 94.2 | Very high | 41 Ų | 41 | 64.1 Ų | 64.1 | 28% | 0.277 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 162.9 | 170.1 | 78.2 | 0 | 0 | 0 | 0 | 110.7 | A137 D138 R139 | C135-A137 VanDerWaalsContact C-N 3.32Å; C135-A137 PolarHBondContact O-N 3.26Å; C135-D138 PolarHBondContact O-N 2.76Å; C135-D138 PolarHBondContact SG-N 3.49Å; C135-D138 PolarHBondContact SG-OD2 3.49Å; C135-R139 PolarHBondContact O-N 3.47Å; C135-R139 VanDerWaalsContact O-N 3.13Å |
| 136 | P | 94.4 | Very high | 94.1 | Very high | 88 Ų | 88 | 64 Ų | 64 | 57% | 0.571 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -51.7 | -45.4 | 179.5 | -26.6 | 34.2 | 0 | 0 | 0 | 114.1 | D138 R139 | P136-D138 PolarHBondContact O-N 3.06Å; P136-R139 PolarHBondContact O-N 2.91Å |
| 137 | A | 95 | Very high | 94.1 | Very high | 46 Ų | 46 | 68.2 Ų | 68.2 | 38% | 0.38 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.2 | -41.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | T98 C135 R139 E140 | T98-A137 HydrophobicContact CG2-CB 4.25Å; C135-A137 VanDerWaalsContact C-N 3.32Å; C135-A137 PolarHBondContact O-N 3.26Å; A137-R139 VanDerWaalsContact C-N 3.32Å; A137-R139 PolarHBondContact O-N 2.89Å; A137-E140 PolarHBondContact O-N 2.82Å |
| 138 | D | 96.7 | Very high | 94.1 | Very high | 2 Ų | 2 | 68.2 Ų | 68.2 | 1% | 0.011 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -69.4 | -30.1 | 179.5 | -68.6 | -26 | 0 | 0 | 0 | 112.7 | F99 S100 L134 C135 P136 E140 V141 F142 | F99-D138 WeakPolarHBondContact CD2-OD2 3.43Å; F99-D138 VanDerWaalsContact N-CG 3.34Å; F99-D138 PolarHBondContact N-OD1 3.22Å; F99-D138 PolarHBondContact N-OD2 3.12Å; S100-D138 WeakPolarHBondContact CB-OD1 3.42Å; S100-D138 PolarHBondContact N-OD1 2.59Å; S100-D138 PolarHBondContact OG-OD1 2.78Å; L134-D138 HydrophobicContact CB-CB 4.01Å; L134-D138 HydrophobicContact CD1-CB 4.32Å; L134-D138 HydrophobicContact CD2-CB 3.91Å; L134-D138 HydrophobicContact CG-CB 4.3Å; C135-D138 PolarHBondContact O-N 2.76Å; C135-D138 PolarHBondContact SG-N 3.49Å; C135-D138 PolarHBondContact SG-OD2 3.49Å; P136-D138 PolarHBondContact O-N 3.06Å; D138-E140 PolarHBondContact O-N 2.87Å; D138-V141 PolarHBondContact O-N 3.19Å; D138-F142 HydrophobicContact CB-CD2 4.26Å; D138-F142 PolarHBondContact O-N 3.25Å |
| 139 | R | 94.2 | Very high | 94.1 | Very high | 163 Ų | 163 | 68 Ų | 68 | 62% | 0.615 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -67.3 | -23.9 | 176.1 | -74.2 | -174.8 | -77.7 | 166.1 | -2.6 | 113.4 | L134 C135 P136 A137 V141 | L134-R139 HydrophobicContact CB-CG 3.63Å; L134-R139 HydrophobicContact CD1-CG 4.47Å; L134-R139 PolarHBondContact O-NE 3.09Å; C135-R139 PolarHBondContact O-N 3.47Å; C135-R139 VanDerWaalsContact O-N 3.13Å; P136-R139 PolarHBondContact O-N 2.91Å; A137-R139 VanDerWaalsContact C-N 3.32Å; A137-R139 PolarHBondContact O-N 2.89Å; R139-V141 VanDerWaalsContact C-N 3.32Å |
| 140 | E | 95.2 | Very high | 94.3 | Very high | 173 Ų | 173 | 64.9 Ų | 64.9 | 81% | 0.808 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -75.8 | -24.7 | 175.1 | -64.5 | -176.5 | 177.2 | 0 | 0 | 112.2 | A137 D138 | A137-E140 PolarHBondContact O-N 2.82Å; D138-E140 PolarHBondContact O-N 2.87Å |
| 141 | V | 95.9 | Very high | 94.5 | Very high | 93 Ų | 93 | 67 Ų | 67 | 56% | 0.564 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -104 | -39.4 | -174.5 | -178.4 | 0 | 0 | 0 | 0 | 112.4 | D138 R139 | D138-V141 PolarHBondContact O-N 3.19Å; R139-V141 VanDerWaalsContact C-N 3.32Å |
| 142 | F | 95.9 | Very high | 94.9 | Very high | 31 Ų | 31 | 61.7 Ų | 61.7 | 14% | 0.136 | 31% | 0.314 | C | S | . | . | trans | -115.5 | 135.8 | -174.9 | -55.4 | -71.3 | 0 | 0 | 0 | 111.3 | F99 L134 D138 S144 R147 A148 M151 | F99-F142 HydrophobicContact CB-CD2 4.38Å; F99-F142 HydrophobicContact CB-CE2 3.77Å; F99-F142 HydrophobicContact CB-CZ 4.49Å; L134-F142 HydrophobicContact CD1-CB 4.04Å; D138-F142 HydrophobicContact CB-CD2 4.26Å; D138-F142 PolarHBondContact O-N 3.25Å; F142-S144 VanDerWaalsContact C-N 3.34Å; F142-R147 HydrophobicContact CD1-CG 4.15Å; F142-A148 HydrophobicContact CB-CB 3.99Å; F142-A148 HydrophobicContact CD1-CB 4.19Å; F142-A148 HydrophobicContact CD2-CB 3.51Å; F142-A148 HydrophobicContact CE2-CB 3.95Å; F142-A148 HydrophobicContact CG-CB 3.63Å; F142-A148 HydrophobicContact CZ-CB 4.46Å; F142-M151 HydrophobicContact CE1-CB 4.18Å; F142-M151 HydrophobicContact CE1-CG 4.29Å | ||
| 143 | N | 93 | Very high | 95.5 | Very high | 143 Ų | 143 | 57.7 Ų | 57.7 | 77% | 0.765 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -77 | -19 | 176.9 | 62.2 | -19 | 0 | 0 | 0 | 113.7 | R147 | N143-R147 WeakPolarHBondContact OD1-CB 3.28Š|
| 144 | S | 95.3 | Very high | 96 | Very high | 36 Ų | 36 | 49.9 Ų | 49.9 | 25% | 0.252 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -152.8 | 157.1 | 179 | 72 | 0 | 0 | 0 | 0 | 111.7 | F142 A146 R147 A148 | F142-S144 VanDerWaalsContact C-N 3.34Å; S144-A146 VanDerWaalsContact C-N 3.3Å; S144-A146 PolarHBondContact O-N 3.17Å; S144-R147 PolarHBondContact O-N 3.11Å; S144-R147 WeakPolarHBondContact OG-CB 3.16Å; S144-R147 PolarHBondContact OG-N 2.94Å; S144-A148 PolarHBondContact O-N 2.83Å |
| 145 | S | 96.2 | Very high | 96.3 | Very high | 16 Ų | 16 | 52.8 Ų | 52.8 | 11% | 0.112 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.1 | -39.9 | 173.7 | 53 | 0 | 0 | 0 | 0 | 112.1 | R147 A148 Q149 | S145-R147 VanDerWaalsContact C-N 3.32Å; S145-R147 PolarHBondContact O-N 3.43Å; S145-A148 PolarHBondContact O-N 3.34Å; S145-Q149 VanDerWaalsContact O-CG 3.29Å; S145-Q149 WeakPolarHBondContact O-CG 3.48Å; S145-Q149 PolarHBondContact O-N 3.15Å |
| 146 | A | 97.2 | Very high | 96.5 | Very high | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.008 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -56.4 | -45.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | S144 A148 Q149 V150 Y187 T190 | S144-A146 VanDerWaalsContact C-N 3.3Å; S144-A146 PolarHBondContact O-N 3.17Å; A146-A148 PolarHBondContact O-N 2.65Å; A146-Q149 PolarHBondContact O-N 3.19Å; A146-V150 VanDerWaalsContact O-CB 3.3Å; A146-V150 WeakPolarHBondContact O-CB 3.42Å; A146-V150 WeakPolarHBondContact O-CG2 3.47Å; A146-V150 PolarHBondContact O-N 3.3Å; A146-Y187 HydrophobicContact CB-CD2 3.48Å; A146-Y187 VanDerWaalsContact CB-CD2 3.48Å; A146-Y187 HydrophobicContact CB-CE2 3.76Å; A146-Y187 HydrophobicContact CB-CG 3.94Å; A146-T190 HydrophobicContact CB-CG2 3.77Å |
| 147 | R | 97.5 | Very high | 96.7 | Very high | 88 Ų | 88 | 47.7 Ų | 47.7 | 33% | 0.332 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.7 | -43.4 | 179.6 | -174.6 | 65.4 | 174.5 | 162 | 5 | 111.3 | F142 N143 S144 S145 M151 T190 C194 | F142-R147 HydrophobicContact CD1-CG 4.15Å; N143-R147 WeakPolarHBondContact OD1-CB 3.28Å; S144-R147 PolarHBondContact O-N 3.11Å; S144-R147 WeakPolarHBondContact OG-CB 3.16Å; S144-R147 PolarHBondContact OG-N 2.94Å; S145-R147 VanDerWaalsContact C-N 3.32Å; S145-R147 PolarHBondContact O-N 3.43Å; R147-M151 WeakPolarHBondContact O-CB 3.04Å; R147-M151 WeakPolarHBondContact O-CG 3.41Å; R147-M151 PolarHBondContact O-N 3.32Å; R147-T190 HydrophobicContact CB-CG2 4.22Å; R147-C194 PolarHBondContact NH1-SG 3.22Å |
| 148 | A | 97.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.4 | -51.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | F99 L134 F142 S144 S145 A146 V150 M151 F152 | F99-A148 HydrophobicContact CB-CB 3.86Å; F99-A148 HydrophobicContact CD1-CB 4.36Å; F99-A148 HydrophobicContact CD2-CB 3.85Å; F99-A148 HydrophobicContact CE2-CB 4.49Å; F99-A148 HydrophobicContact CG-CB 3.77Å; L134-A148 HydrophobicContact CD2-CB 3.86Å; F142-A148 HydrophobicContact CB-CB 3.99Å; F142-A148 HydrophobicContact CD1-CB 4.19Å; F142-A148 HydrophobicContact CD2-CB 3.51Å; F142-A148 HydrophobicContact CE2-CB 3.95Å; F142-A148 HydrophobicContact CG-CB 3.63Å; F142-A148 HydrophobicContact CZ-CB 4.46Å; S144-A148 PolarHBondContact O-N 2.83Å; S145-A148 PolarHBondContact O-N 3.34Å; A146-A148 PolarHBondContact O-N 2.65Å; A148-V150 PolarHBondContact O-N 2.76Å; A148-M151 PolarHBondContact O-N 3.41Å; A148-F152 VanDerWaalsContact O-CB 3.27Å; A148-F152 WeakPolarHBondContact O-CB 3.42Å; A148-F152 PolarHBondContact O-N 3.22Å |
| 149 | Q | 98 | Very high | 96.9 | Very high | 3 Ų | 3 | 53.6 Ų | 53.6 | 1% | 0.014 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.1 | -44.1 | -179.5 | -69.3 | 170.2 | -2.8 | 0 | 0 | 112.5 | F99 F127 S145 A146 F152 A153 F168 T171 Y187 | F99-Q149 HydrophobicContact CE1-CB 4.48Å; F99-Q149 HydrophobicContact CE1-CG 3.87Å; F99-Q149 HydrophobicContact CE2-CG 4.47Å; F99-Q149 HydrophobicContact CZ-CG 3.67Å; F127-Q149 HydrophobicContact CD1-CG 3.89Å; F127-Q149 HydrophobicContact CD2-CB 4.14Å; F127-Q149 HydrophobicContact CD2-CG 4.21Å; F127-Q149 HydrophobicContact CE1-CG 4.11Å; F127-Q149 HydrophobicContact CE2-CB 4.11Å; F127-Q149 HydrophobicContact CE2-CG 4.41Å; F127-Q149 HydrophobicContact CG-CB 4.38Å; F127-Q149 HydrophobicContact CG-CG 3.94Å; F127-Q149 HydrophobicContact CZ-CB 4.32Å; F127-Q149 HydrophobicContact CZ-CG 4.36Å; S145-Q149 VanDerWaalsContact O-CG 3.29Å; S145-Q149 WeakPolarHBondContact O-CG 3.48Å; S145-Q149 PolarHBondContact O-N 3.15Å; A146-Q149 PolarHBondContact O-N 3.19Å; Q149-F152 PolarHBondContact O-N 2.88Å; Q149-A153 VanDerWaalsContact O-CB 3.32Å; Q149-A153 WeakPolarHBondContact O-CB 3.35Å; Q149-A153 PolarHBondContact O-N 2.86Å; Q149-F168 HydrophobicContact CB-CE2 4.29Å; Q149-F168 HydrophobicContact CB-CZ 4.2Å; Q149-T171 PolarHBondContact NE2-OG1 2.7Å; Q149-Y187 PolarHBondContact OE1-OH 3.33Å |
| 150 | V | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67.3 | -43.1 | -179.4 | 168.9 | 0 | 0 | 0 | 0 | 111.8 | A146 A148 F152 A153 N154 F168 V191 C194 L195 | A146-V150 VanDerWaalsContact O-CB 3.3Å; A146-V150 WeakPolarHBondContact O-CB 3.42Å; A146-V150 WeakPolarHBondContact O-CG2 3.47Å; A146-V150 PolarHBondContact O-N 3.3Å; A148-V150 PolarHBondContact O-N 2.76Å; V150-F152 VanDerWaalsContact C-N 3.34Å; V150-A153 PolarHBondContact O-N 2.92Å; V150-N154 WeakPolarHBondContact O-CB 3.43Å; V150-N154 PolarHBondContact O-N 3.43Å; V150-N154 PolarHBondContact O-ND2 3.46Å; V150-F168 HydrophobicContact CG2-CZ 4.37Å; V150-V191 HydrophobicContact CG2-CB 4.42Å; V150-V191 HydrophobicContact CG2-CG2 4Å; V150-C194 HydrophobicContact CB-CB 4.46Å; V150-C194 HydrophobicContact CG1-CB 3.57Å; V150-C194 VanDerWaalsContact CG1-O 3.31Å; V150-C194 WeakPolarHBondContact CG1-O 3.43Å; V150-L195 HydrophobicContact CG1-CB 4.06Å; V150-L195 HydrophobicContact CG1-CD1 4.15Å; V150-L195 HydrophobicContact CG2-CD1 4.39Å |
| 151 | M | 97.2 | Very high | 97.2 | Very high | 74 Ų | 74 | 41.9 Ų | 41.9 | 37% | 0.365 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63.3 | -44 | 177 | -72.2 | -60.2 | -58.4 | 0 | 0 | 111.1 | F142 R147 A148 A153 N154 E155 | F142-M151 HydrophobicContact CE1-CB 4.18Å; F142-M151 HydrophobicContact CE1-CG 4.29Å; R147-M151 WeakPolarHBondContact O-CB 3.04Å; R147-M151 WeakPolarHBondContact O-CG 3.41Å; R147-M151 PolarHBondContact O-N 3.32Å; A148-M151 PolarHBondContact O-N 3.41Å; M151-A153 PolarHBondContact O-N 2.64Å; M151-N154 PolarHBondContact O-N 3.32Å; M151-E155 PolarHBondContact O-N 3.41Å |
| 152 | F | 97.3 | Very high | 97.3 | Very high | 4 Ų | 4 | 40.2 Ų | 40.2 | 2% | 0.018 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.9 | -45.1 | 175.1 | -170.6 | -97.8 | 0 | 0 | 0 | 111.6 | P93 V97 F99 V105 L108 F127 A148 Q149 V150 E155 I156 | P93-F152 HydrophobicContact CG-CE1 4.08Å; V97-F152 HydrophobicContact CG2-CE2 4.08Å; V97-F152 HydrophobicContact CG2-CZ 3.96Å; F99-F152 HydrophobicContact CD1-CB 3.85Å; F99-F152 HydrophobicContact CD1-CD1 4.37Å; F99-F152 HydrophobicContact CD1-CD2 4.09Å; F99-F152 AromaticContact CD1-CG 3.87Å; F99-F152 HydrophobicContact CD1-CG 3.87Å; F99-F152 HydrophobicContact CE1-CB 4.44Å; F99-F152 HydrophobicContact CE1-CD1 4.48Å; F99-F152 HydrophobicContact CE1-CG 4.4Å; V105-F152 HydrophobicContact CG2-CD2 3.87Å; V105-F152 HydrophobicContact CG2-CE2 3.71Å; L108-F152 HydrophobicContact CB-CZ 4.35Å; L108-F152 HydrophobicContact CD2-CD1 4.3Å; L108-F152 HydrophobicContact CD2-CE1 3.19Å; L108-F152 HydrophobicContact CD2-CZ 3.32Å; L108-F152 HydrophobicContact CG-CZ 4.47Å; F127-F152 HydrophobicContact CZ-CD1 4.08Å; A148-F152 VanDerWaalsContact O-CB 3.27Å; A148-F152 WeakPolarHBondContact O-CB 3.42Å; A148-F152 PolarHBondContact O-N 3.22Å; Q149-F152 PolarHBondContact O-N 2.88Å; V150-F152 VanDerWaalsContact C-N 3.34Å; F152-E155 PolarHBondContact O-N 2.93Å; F152-I156 WeakPolarHBondContact O-CG1 3.38Å; F152-I156 PolarHBondContact O-N 3.41Å |
| 153 | A | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.8 | -43.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L125 Q149 V150 M151 E155 I156 Y157 F168 L195 | L125-A153 HydrophobicContact CD1-CB 3.74Å; Q149-A153 VanDerWaalsContact O-CB 3.32Å; Q149-A153 WeakPolarHBondContact O-CB 3.35Å; Q149-A153 PolarHBondContact O-N 2.86Å; V150-A153 PolarHBondContact O-N 2.92Å; M151-A153 PolarHBondContact O-N 2.64Å; A153-E155 VanDerWaalsContact C-N 3.29Å; A153-E155 PolarHBondContact O-N 3.15Å; A153-I156 PolarHBondContact O-N 3.08Å; A153-Y157 VanDerWaalsContact O-CB 3.31Å; A153-Y157 WeakPolarHBondContact O-CB 3.43Å; A153-Y157 PolarHBondContact O-N 3.21Å; A153-F168 HydrophobicContact CB-CD2 3.72Å; A153-F168 HydrophobicContact CB-CE2 3.94Å; A153-L195 HydrophobicContact CB-CD1 4.28Å |
| 154 | N | 98.4 | Very high | 97.3 | Very high | 22 Ų | 22 | 38.5 Ų | 38.5 | 12% | 0.118 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.1 | -39 | 176.1 | -72.8 | -13.5 | 0 | 0 | 0 | 111.6 | V150 M151 Y157 N158 C194 A196 | V150-N154 WeakPolarHBondContact O-CB 3.43Å; V150-N154 PolarHBondContact O-N 3.43Å; V150-N154 PolarHBondContact O-ND2 3.46Å; M151-N154 PolarHBondContact O-N 3.32Å; N154-Y157 PolarHBondContact O-N 3.19Å; N154-N158 WeakPolarHBondContact O-CB 3.2Å; N154-N158 PolarHBondContact O-N 3.13Å; N154-N158 PolarHBondContact O-ND2 3.26Å; N154-C194 PolarHBondContact ND2-O 3.16Å; N154-A196 WeakPolarHBondContact OD1-CB 3.33Å; N154-A196 PolarHBondContact OD1-N 3.21Å |
| 155 | E | 98 | Very high | 97.4 | Very high | 84 Ų | 84 | 37.9 Ų | 37.9 | 39% | 0.393 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -64.2 | -46 | 178.2 | -175.8 | 164.9 | -179.1 | 0 | 0 | 112.1 | V105 K109 M151 F152 A153 N158 H159 | V105-E155 VanDerWaalsContact CG1-CD 3.46Å; V105-E155 HydrophobicContact CG1-CG 4.12Å; V105-E155 WeakPolarHBondContact CG1-OE1 3.19Å; K109-E155 IonicContact NZ-OE1 3.31Å; K109-E155 PolarHBondContact NZ-OE1 2.86Å; M151-E155 PolarHBondContact O-N 3.41Å; F152-E155 PolarHBondContact O-N 2.93Å; A153-E155 VanDerWaalsContact C-N 3.29Å; A153-E155 PolarHBondContact O-N 3.15Å; E155-N158 PolarHBondContact O-N 3.29Å; E155-H159 WeakPolarHBondContact O-CB 3.36Å; E155-H159 PolarHBondContact O-N 2.98Å |
| 156 | I | 98.3 | Very high | 97.5 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.3 | -40.9 | 176.6 | -59.9 | -58.3 | 0 | 0 | 0 | 111.5 | L108 K109 V112 L125 F152 A153 N158 H159 L160 F166 | L108-I156 HydrophobicContact CB-CD1 4.09Å; L108-I156 HydrophobicContact CD2-CD1 3.81Å; L108-I156 HydrophobicContact CD2-CG1 3.72Å; L108-I156 HydrophobicContact CG-CD1 3.86Å; L108-I156 HydrophobicContact CG-CG1 4.25Å; K109-I156 HydrophobicContact CG-CD1 3.89Å; V112-I156 HydrophobicContact CG1-CG2 4.34Å; V112-I156 HydrophobicContact CG2-CG2 4.34Å; L125-I156 HydrophobicContact CD1-CB 4.24Å; L125-I156 HydrophobicContact CD1-CG1 4.4Å; F152-I156 WeakPolarHBondContact O-CG1 3.38Å; F152-I156 PolarHBondContact O-N 3.41Å; A153-I156 PolarHBondContact O-N 3.08Å; I156-N158 PolarHBondContact O-N 2.84Å; I156-H159 PolarHBondContact O-N 3.34Å; I156-L160 HydrophobicContact CG2-CD1 3.93Å; I156-L160 WeakPolarHBondContact O-CG 3.33Å; I156-L160 PolarHBondContact O-N 2.88Å; I156-F166 HydrophobicContact CG2-CE2 4.26Å; I156-F166 HydrophobicContact CG2-CZ 4.25Å |
| 157 | Y | 98.5 | Very high | 97.6 | Very high | 21 Ų | 21 | 37.3 Ų | 37.3 | 8% | 0.082 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.6 | -45.6 | 175.6 | 176.9 | -111 | 0 | 0 | 0 | 112.3 | A153 N154 L160 C162 P163 F166 A196 I199 | A153-Y157 VanDerWaalsContact O-CB 3.31Å; A153-Y157 WeakPolarHBondContact O-CB 3.43Å; A153-Y157 PolarHBondContact O-N 3.21Å; N154-Y157 PolarHBondContact O-N 3.19Å; Y157-L160 PolarHBondContact O-N 3.38Å; Y157-C162 HydrophobicContact CD1-CB 4.47Å; Y157-C162 HydrophobicContact CE1-CB 3.72Å; Y157-C162 HydrophobicContact CE2-CB 4.24Å; Y157-C162 VanDerWaalsContact CZ-CA 3.47Å; Y157-C162 WeakPolarHBondContact O-CA 3.48Å; Y157-C162 PolarHBondContact O-N 2.9Å; Y157-P163 HydrophobicContact CD2-CG 4.21Å; Y157-P163 HydrophobicContact CE2-CG 4.21Å; Y157-F166 HydrophobicContact CD2-CB 3.52Å; Y157-F166 HydrophobicContact CD2-CD1 4.17Å; Y157-F166 AromaticContact CD2-CD2 3.72Å; Y157-F166 HydrophobicContact CD2-CD2 3.72Å; Y157-F166 HydrophobicContact CD2-CE2 4.44Å; Y157-F166 AromaticContact CD2-CG 3.54Å; Y157-F166 HydrophobicContact CD2-CG 3.54Å; Y157-F166 HydrophobicContact CE2-CB 3.7Å; Y157-F166 HydrophobicContact CE2-CG 4.25Å; Y157-F166 HydrophobicContact CG-CG 4.43Å; Y157-A196 HydrophobicContact CD1-CB 3.9Å; Y157-A196 HydrophobicContact CE1-CB 4.06Å; Y157-I199 HydrophobicContact CD1-CD1 4.16Å; Y157-I199 HydrophobicContact CD1-CG1 4.12Å; Y157-I199 HydrophobicContact CD2-CD1 4.31Å; Y157-I199 HydrophobicContact CD2-CG1 3.85Å; Y157-I199 HydrophobicContact CE1-CG1 4.39Å; Y157-I199 HydrophobicContact CE2-CG1 4.14Å; Y157-I199 HydrophobicContact CG-CD1 3.85Å; Y157-I199 HydrophobicContact CG-CG1 3.83Å |
| 158 | N | 98.2 | Very high | 97.7 | Very high | 97 Ų | 97 | 33.1 Ų | 33.1 | 52% | 0.519 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -67.9 | -40.3 | 177.3 | -71.4 | -38.5 | 0 | 0 | 0 | 111.9 | N154 E155 I156 L160 G161 | N154-N158 WeakPolarHBondContact O-CB 3.2Å; N154-N158 PolarHBondContact O-N 3.13Å; N154-N158 PolarHBondContact O-ND2 3.26Å; E155-N158 PolarHBondContact O-N 3.29Å; I156-N158 PolarHBondContact O-N 2.84Å; N158-L160 VanDerWaalsContact C-N 3.3Å; N158-L160 PolarHBondContact O-N 3.45Å; N158-G161 PolarHBondContact O-N 3.25Å |
| 159 | H | 97.9 | Very high | 97.7 | Very high | 76 Ų | 76 | 33.2 Ų | 33.2 | 35% | 0.352 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -59.5 | -40.5 | 176.9 | 177.7 | 80.5 | 0 | 0 | 0 | 112.2 | K109 D113 E155 I156 G161 | K109-H159 HydrophobicContact CG-CB 4.33Å; D113-H159 VanDerWaalsContact CG-NE2 3.32Å; D113-H159 IonicContact OD1-CD2 3.53Å; D113-H159 IonicContact OD1-NE2 3.57Å; D113-H159 PolarHBondContact OD1-NE2 3.42Å; D113-H159 IonicContact OD2-CE1 3.03Å; D113-H159 IonicContact OD2-NE2 2.73Å; D113-H159 PolarHBondContact OD2-NE2 3.15Å; D113-H159 VanDerWaalsContact OD2-NE2 3.1Å; E155-H159 WeakPolarHBondContact O-CB 3.36Å; E155-H159 PolarHBondContact O-N 2.98Å; I156-H159 PolarHBondContact O-N 3.34Å; H159-G161 PolarHBondContact O-N 2.82Å |
| 160 | L | 97.6 | Very high | 97.7 | Very high | 30 Ų | 30 | 33.1 Ų | 33.1 | 16% | 0.157 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | 2.7 | 176.5 | -71.6 | 165.7 | 0 | 0 | 0 | 114 | V112 F123 I156 Y157 N158 P163 F166 | V112-L160 HydrophobicContact CB-CD1 4.3Å; V112-L160 HydrophobicContact CB-CD2 4.12Å; V112-L160 HydrophobicContact CG2-CD1 4.21Å; V112-L160 HydrophobicContact CG2-CD2 3.85Å; V112-L160 HydrophobicContact CG2-CG 4.1Å; F123-L160 HydrophobicContact CB-CD1 4.15Å; F123-L160 HydrophobicContact CD1-CD1 4.15Å; F123-L160 HydrophobicContact CD2-CD1 3.67Å; F123-L160 HydrophobicContact CD2-CD2 4.37Å; F123-L160 HydrophobicContact CE1-CD2 4.4Å; F123-L160 HydrophobicContact CE2-CD1 4.07Å; F123-L160 HydrophobicContact CE2-CD2 3.9Å; F123-L160 HydrophobicContact CE2-CG 4.49Å; F123-L160 HydrophobicContact CG-CD1 3.72Å; F123-L160 HydrophobicContact CZ-CD1 4.48Å; F123-L160 HydrophobicContact CZ-CD2 3.92Å; I156-L160 HydrophobicContact CG2-CD1 3.93Å; I156-L160 WeakPolarHBondContact O-CG 3.33Å; I156-L160 PolarHBondContact O-N 2.88Å; Y157-L160 PolarHBondContact O-N 3.38Å; N158-L160 VanDerWaalsContact C-N 3.3Å; N158-L160 PolarHBondContact O-N 3.45Å; L160-P163 HydrophobicContact CB-CG 4.24Å; L160-F166 HydrophobicContact CD1-CD2 4.48Å; L160-F166 HydrophobicContact CD1-CE2 3.96Å |
| 161 | G | 97.3 | Very high | 97.7 | Very high | 60 Ų | 60 | 33.8 Ų | 33.8 | 62% | 0.619 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76.9 | 31.9 | 179 | 0 | 0 | 0 | 0 | 0 | 114 | N158 H159 | N158-G161 PolarHBondContact O-N 3.25Å; H159-G161 PolarHBondContact O-N 2.82Å |
| 162 | C | 97.1 | Very high | 97.8 | Very high | 58 Ų | 58 | 31.4 Ų | 31.4 | 39% | 0.392 | 18% | 0.18 | S | C | . | . | trans | 56.5 | 59.2 | 177.2 | -56.5 | 0 | 0 | 0 | 0 | 113.4 | Y157 | Y157-C162 HydrophobicContact CD1-CB 4.47Å; Y157-C162 HydrophobicContact CE1-CB 3.72Å; Y157-C162 HydrophobicContact CE2-CB 4.24Å; Y157-C162 VanDerWaalsContact CZ-CA 3.47Å; Y157-C162 WeakPolarHBondContact O-CA 3.48Å; Y157-C162 PolarHBondContact O-N 2.9Å | ||
| 163 | P | 96.3 | Very high | 97.8 | Very high | 17 Ų | 17 | 32.2 Ų | 32.2 | 11% | 0.11 | 18% | 0.184 | C | C | . | . | trans | -57.2 | 152.9 | -175.5 | 24.3 | -34.6 | 0 | 0 | 0 | 112.8 | R121 F123 Y157 L160 V165 F166 | R121-P163 WeakPolarHBondContact O-CB 3.39Å; F123-P163 HydrophobicContact CD2-CG 4.31Å; Y157-P163 HydrophobicContact CD2-CG 4.21Å; Y157-P163 HydrophobicContact CE2-CG 4.21Å; L160-P163 HydrophobicContact CB-CG 4.24Å; P163-V165 PolarHBondContact O-N 2.93Å; P163-F166 HydrophobicContact CG-CB 4.27Å; P163-F166 HydrophobicContact CG-CD2 3.93Å | ||
| 164 | D | 93.9 | Very high | 97.7 | Very high | 120 Ų | 120 | 32.2 Ų | 32.2 | 64% | 0.642 | 18% | 0.184 | S | C | * | . | S | Bend | trans | -63.7 | -27.9 | -174.9 | -91.4 | -36.7 | 0 | 0 | 0 | 114.3 | K12 | K12-D164 WeakPolarHBondContact CE-OD1 3.42Å; K12-D164 PolarHBondContact NZ-O 3.03Å; K12-D164 IonicContact NZ-OD1 3.53Å; K12-D164 PolarHBondContact NZ-OD1 2.75Å |
| 165 | V | 97.6 | Very high | 97.6 | Very high | 24 Ų | 24 | 32.6 Ų | 32.6 | 15% | 0.145 | 19% | 0.19 | C | C | . | . | trans | -126.3 | 106.8 | 175.3 | 178.4 | 0 | 0 | 0 | 0 | 108.2 | L15 L86 I88 A122 F123 P163 L167 | L15-V165 HydrophobicContact CD1-CG1 4.11Å; L86-V165 HydrophobicContact CD2-CB 4.2Å; L86-V165 HydrophobicContact CD2-CG1 4.3Å; L86-V165 HydrophobicContact CD2-CG2 3.81Å; I88-V165 HydrophobicContact CD1-CG1 4.03Å; I88-V165 HydrophobicContact CG1-CG1 4.43Å; A122-V165 WeakPolarHBondContact CA-O 3.49Å; A122-V165 HydrophobicContact CB-CB 3.82Å; A122-V165 HydrophobicContact CB-CG1 4.02Å; F123-V165 PolarHBondContact N-O 3.13Å; P163-V165 PolarHBondContact O-N 2.93Å; V165-L167 HydrophobicContact CG1-CD2 4.09Å; V165-L167 HydrophobicContact CG1-CG 4.4Å | ||
| 166 | F | 98.5 | Very high | 97.5 | Very high | 3 Ų | 3 | 32 Ų | 32 | 1% | 0.013 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 124.2 | 168.4 | -163.7 | -82.1 | 0 | 0 | 0 | 108.4 | F123 L125 I156 Y157 L160 P163 I199 A200 | F123-F166 HydrophobicContact CB-CD2 3.85Å; F123-F166 HydrophobicContact CB-CE2 3.9Å; F123-F166 CarbonylContact O-C 3.55Å; F123-F166 VanDerWaalsContact O-CA 3.25Å; F123-F166 WeakPolarHBondContact O-CA 3.31Å; L125-F166 HydrophobicContact CD1-CE1 4.15Å; L125-F166 HydrophobicContact CD1-CZ 3.8Å; L125-F166 HydrophobicContact CG-CE1 4.18Å; L125-F166 HydrophobicContact CG-CZ 3.83Å; I156-F166 HydrophobicContact CG2-CE2 4.26Å; I156-F166 HydrophobicContact CG2-CZ 4.25Å; Y157-F166 HydrophobicContact CD2-CB 3.52Å; Y157-F166 HydrophobicContact CD2-CD1 4.17Å; Y157-F166 AromaticContact CD2-CD2 3.72Å; Y157-F166 HydrophobicContact CD2-CD2 3.72Å; Y157-F166 HydrophobicContact CD2-CE2 4.44Å; Y157-F166 AromaticContact CD2-CG 3.54Å; Y157-F166 HydrophobicContact CD2-CG 3.54Å; Y157-F166 HydrophobicContact CE2-CB 3.7Å; Y157-F166 HydrophobicContact CE2-CG 4.25Å; Y157-F166 HydrophobicContact CG-CG 4.43Å; L160-F166 HydrophobicContact CD1-CD2 4.48Å; L160-F166 HydrophobicContact CD1-CE2 3.96Å; P163-F166 HydrophobicContact CG-CB 4.27Å; P163-F166 HydrophobicContact CG-CD2 3.93Å; F166-I199 HydrophobicContact CB-CG1 4.33Å; F166-I199 HydrophobicContact CD1-CB 4.41Å; F166-I199 HydrophobicContact CD1-CD1 4.02Å; F166-I199 HydrophobicContact CD1-CG1 3.82Å; F166-I199 HydrophobicContact CD1-CG2 3.87Å; F166-I199 HydrophobicContact CE1-CD1 4.26Å; F166-I199 HydrophobicContact CG-CG1 4.36Å; F166-A200 PolarHBondContact O-N 3.22Å |
| 167 | L | 98.7 | Very high | 97.4 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 142.5 | -177.9 | -46.9 | -177.3 | 0 | 0 | 0 | 110.9 | L48 I88 F123 A124 L125 V165 A200 I202 V230 L267 | L48-L167 HydrophobicContact CD1-CD1 4.44Å; L48-L167 HydrophobicContact CD2-CD1 4.33Å; I88-L167 HydrophobicContact CD1-CD1 4.13Å; I88-L167 HydrophobicContact CG2-CD1 4.3Å; F123-L167 PolarHBondContact O-N 3.3Å; A124-L167 CarbonylContact C-O 3.27Å; A124-L167 WeakPolarHBondContact CA-O 3.46Å; A124-L167 HydrophobicContact CB-CB 3.78Å; A124-L167 HydrophobicContact CB-CG 4.41Å; L125-L167 PolarHBondContact N-O 3.15Å; V165-L167 HydrophobicContact CG1-CD2 4.09Å; V165-L167 HydrophobicContact CG1-CG 4.4Å; L167-A200 CarbonylContact C-O 3.51Å; L167-A200 WeakPolarHBondContact CA-O 3.42Å; L167-A200 HydrophobicContact CD2-CB 3.84Å; L167-I202 HydrophobicContact CB-CD1 3.86Å; L167-I202 HydrophobicContact CB-CG1 4.18Å; L167-I202 HydrophobicContact CD1-CD1 4.25Å; L167-V230 HydrophobicContact CD2-CG2 3.95Å; L167-L267 HydrophobicContact CD1-CD1 4.26Å |
| 168 | F | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 118.2 | 173.6 | 176.4 | -91.2 | 0 | 0 | 0 | 108.9 | L125 F127 Q149 V150 A153 P170 V191 L195 I199 A200 V201 I202 | L125-F168 WeakPolarHBondContact O-CA 3.47Å; F127-F168 HydrophobicContact CD2-CD2 4.1Å; F127-F168 AromaticContact CD2-CE2 3.45Å; F127-F168 HydrophobicContact CD2-CE2 3.45Å; F127-F168 VanDerWaalsContact CD2-CE2 3.45Å; F127-F168 AromaticContact CD2-CZ 3.89Å; F127-F168 HydrophobicContact CD2-CZ 3.89Å; F127-F168 HydrophobicContact CE2-CD2 4.02Å; F127-F168 AromaticContact CE2-CE2 3.46Å; F127-F168 HydrophobicContact CE2-CE2 3.46Å; F127-F168 VanDerWaalsContact CE2-CE2 3.46Å; F127-F168 HydrophobicContact CE2-CZ 4.31Å; Q149-F168 HydrophobicContact CB-CE2 4.29Å; Q149-F168 HydrophobicContact CB-CZ 4.2Å; V150-F168 HydrophobicContact CG2-CZ 4.37Å; A153-F168 HydrophobicContact CB-CD2 3.72Å; A153-F168 HydrophobicContact CB-CE2 3.94Å; F168-P170 HydrophobicContact CD1-CB 4.46Å; F168-P170 HydrophobicContact CE1-CB 3.92Å; F168-P170 WeakPolarHBondContact O-CD 3.47Å; F168-V191 HydrophobicContact CD1-CG1 4.36Å; F168-V191 HydrophobicContact CE1-CG1 4.07Å; F168-V191 HydrophobicContact CE1-CG2 4.09Å; F168-L195 HydrophobicContact CB-CD1 4.47Å; F168-L195 HydrophobicContact CB-CD2 4.12Å; F168-L195 HydrophobicContact CD1-CD2 4.15Å; F168-L195 HydrophobicContact CD2-CD1 4.14Å; F168-L195 HydrophobicContact CG-CD1 4.18Å; F168-L195 HydrophobicContact CG-CD2 4.18Å; F168-I199 HydrophobicContact CB-CG2 3.62Å; F168-A200 PolarHBondContact N-O 2.96Å; F168-V201 WeakPolarHBondContact O-CA 3.07Å; F168-I202 PolarHBondContact O-N 2.86Å |
| 169 | C | 98.7 | Very high | 96.9 | Very high | 3 Ų | 3 | 34.6 Ų | 34.6 | 2% | 0.02 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 110.6 | 170.4 | -163.2 | 0 | 0 | 0 | 0 | 109.6 | L125 L126 F127 I202 | L125-C169 PolarHBondContact O-N 3.18Å; L126-C169 HydrophobicContact CB-CB 4.2Å; L126-C169 HydrophobicContact CD2-CB 3.58Å; L126-C169 HydrophobicContact CG-CB 4.5Å; F127-C169 WeakPolarHBondContact CB-O 3.45Å; F127-C169 PolarHBondContact N-O 3.22Å; C169-I202 HydrophobicContact CB-CB 4.09Å; C169-I202 HydrophobicContact CB-CD1 3.89Å; C169-I202 HydrophobicContact CB-CG2 4.39Å |
| 170 | P | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | trans | -67.3 | 160.3 | 175.8 | 26.6 | -30.8 | 0 | 0 | 0 | 111.4 | F168 E172 Y173 Y187 V201 I202 | F168-P170 HydrophobicContact CD1-CB 4.46Å; F168-P170 HydrophobicContact CE1-CB 3.92Å; F168-P170 WeakPolarHBondContact O-CD 3.47Å; P170-E172 VanDerWaalsContact C-N 3.34Å; P170-Y173 WeakPolarHBondContact O-CB 3.26Å; P170-Y173 WeakPolarHBondContact O-CD1 3.21Å; P170-Y187 WeakPolarHBondContact CA-OH 3.26Å; P170-Y187 HydrophobicContact CB-CE1 3.68Å; P170-V201 HydrophobicContact CG-CG1 4.08Å; P170-I202 WeakPolarHBondContact CD-O 3.43Å | ||
| 171 | T | 97.9 | Very high | 96.5 | Very high | 15 Ų | 15 | 37 Ų | 37 | 9% | 0.092 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -66.2 | -39.6 | 168.6 | -52.8 | 0 | 0 | 0 | 0 | 111 | F127 I130 Q149 Y173 Y187 | F127-T171 WeakPolarHBondContact O-CA 3.33Å; F127-T171 WeakPolarHBondContact O-CB 3.2Å; F127-T171 PolarHBondContact O-N 2.95Å; F127-T171 PolarHBondContact O-OG1 2.93Å; I130-T171 HydrophobicContact CG1-CG2 4.02Å; I130-T171 WeakPolarHBondContact O-CG2 3.28Å; Q149-T171 PolarHBondContact NE2-OG1 2.7Å; T171-Y173 WeakPolarHBondContact O-CD1 3.48Å; T171-Y173 PolarHBondContact O-N 3.07Å; T171-Y187 PolarHBondContact N-OH 3.02Å |
| 172 | E | 97.4 | Very high | 96.3 | Very high | 23 Ų | 23 | 35.8 Ų | 35.8 | 11% | 0.107 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -88.1 | 70.1 | 170.6 | -57.6 | -173.2 | -179.8 | 0 | 0 | 110.4 | P170 L177 A178 S185 Y187 L188 W203 | P170-E172 VanDerWaalsContact C-N 3.34Å; E172-L177 WeakPolarHBondContact CG-O 3.18Å; E172-A178 VanDerWaalsContact OE2-CA 3.31Å; E172-A178 WeakPolarHBondContact OE2-CA 3.22Å; E172-S185 WeakPolarHBondContact OE2-CB 3.47Å; E172-S185 PolarHBondContact OE2-OG 3.31Å; E172-Y187 HydrophobicContact CB-CD1 3.86Å; E172-Y187 HydrophobicContact CB-CE1 4.14Å; E172-Y187 HydrophobicContact CG-CD1 3.71Å; E172-Y187 HydrophobicContact CG-CE1 4.25Å; E172-Y187 HydrophobicContact CG-CG 4Å; E172-Y187 WeakPolarHBondContact OE1-CB 3.38Å; E172-L188 HydrophobicContact CB-CD2 4.19Å; E172-L188 HydrophobicContact CB-CG 4.33Å; E172-W203 WeakPolarHBondContact O-CZ3 3.44Å |
| 173 | Y | 97.9 | Very high | 96 | Very high | 22 Ų | 22 | 38.2 Ų | 38.2 | 9% | 0.086 | 22% | 0.223 | C | C | . | . | trans | -86.7 | 1.5 | -174.3 | 57.2 | -102.4 | 0 | 0 | 0 | 115.9 | D128 D129 P170 T171 L177 T204 V208 | D128-Y173 HydrophobicContact CB-CD1 3.88Å; D128-Y173 HydrophobicContact CB-CE1 3.78Å; D129-Y173 PolarHBondContact OD1-OH 3.46Å; P170-Y173 WeakPolarHBondContact O-CB 3.26Å; P170-Y173 WeakPolarHBondContact O-CD1 3.21Å; T171-Y173 WeakPolarHBondContact O-CD1 3.48Å; T171-Y173 PolarHBondContact O-N 3.07Å; Y173-L177 HydrophobicContact CD1-CD1 3.91Å; Y173-L177 HydrophobicContact CD2-CD1 3.92Å; Y173-L177 HydrophobicContact CE1-CD1 3.59Å; Y173-L177 HydrophobicContact CE2-CD1 3.59Å; Y173-L177 HydrophobicContact CG-CD1 4.08Å; Y173-L177 VanDerWaalsContact CZ-CD1 3.43Å; Y173-T204 HydrophobicContact CD2-CG2 3.61Å; Y173-T204 HydrophobicContact CE2-CG2 4.14Å; Y173-T204 PolarHBondContact O-N 3.47Å; Y173-T204 PolarHBondContact O-OG1 2.59Å; Y173-V208 HydrophobicContact CE2-CG1 4.29Å; Y173-V208 HydrophobicContact CE2-CG2 3.96Å | ||
| 174 | S | 97.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -141.8 | 161.6 | 176.4 | 78.1 | 0 | 0 | 0 | 0 | 111 | S176 L177 A178 T204 G205 | S174-S176 VanDerWaalsContact C-N 3.26Å; S174-S176 PolarHBondContact O-N 3.01Å; S174-S176 PolarHBondContact OG-OG 3.01Å; S174-L177 PolarHBondContact O-N 2.81Å; S174-L177 VanDerWaalsContact O-N 3.1Å; S174-L177 WeakPolarHBondContact OG-CG 3.49Å; S174-L177 PolarHBondContact OG-N 2.84Å; S174-A178 PolarHBondContact O-N 2.95Å; S174-T204 VanDerWaalsContact CB-OG1 3.27Å; S174-T204 WeakPolarHBondContact CB-OG1 3.5Å; S174-G205 WeakPolarHBondContact CA-O 3.33Å; S174-G205 WeakPolarHBondContact CB-O 3.37Å |
| 175 | A | 96.1 | Very high | 96 | Very high | 30 Ų | 30 | 39 Ų | 39 | 25% | 0.248 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -60.3 | -38.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L177 A178 I182 W203 G205 P206 | A175-L177 PolarHBondContact O-N 3.42Å; A175-A178 WeakPolarHBondContact O-CB 3.13Å; A175-A178 PolarHBondContact O-N 3.22Å; A175-A178 VanDerWaalsContact O-N 3.15Å; A175-I182 HydrophobicContact CB-CD1 3.47Å; A175-I182 VanDerWaalsContact CB-CD1 3.47Å; A175-I182 HydrophobicContact CB-CG1 3.98Å; A175-W203 HydrophobicContact CB-CZ2 4.45Å; A175-W203 VanDerWaalsContact N-CZ2 3.29Å; A175-G205 PolarHBondContact N-O 2.88Å; A175-P206 HydrophobicContact CB-CB 4.42Å; A175-P206 WeakPolarHBondContact CB-O 3.25Å; A175-P206 PolarHBondContact N-O 3.21Å |
| 176 | S | 95.1 | Very high | 95.9 | Very high | 71 Ų | 71 | 45.7 Ų | 45.7 | 50% | 0.497 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -65.2 | -22.1 | 178.1 | 61.5 | 0 | 0 | 0 | 0 | 114.5 | S174 P206 | S174-S176 VanDerWaalsContact C-N 3.26Å; S174-S176 PolarHBondContact O-N 3.01Å; S174-S176 PolarHBondContact OG-OG 3.01Å; S176-P206 PolarHBondContact N-O 3.37Å |
| 177 | L | 95.6 | Very high | 95.9 | Very high | 65 Ų | 65 | 46.2 Ų | 46.2 | 34% | 0.34 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -92.1 | -12.1 | 176.2 | -65.3 | 174.2 | 0 | 0 | 0 | 112.6 | E172 Y173 S174 A175 V179 | E172-L177 WeakPolarHBondContact CG-O 3.18Å; Y173-L177 HydrophobicContact CD1-CD1 3.91Å; Y173-L177 HydrophobicContact CD2-CD1 3.92Å; Y173-L177 HydrophobicContact CE1-CD1 3.59Å; Y173-L177 HydrophobicContact CE2-CD1 3.59Å; Y173-L177 HydrophobicContact CG-CD1 4.08Å; Y173-L177 VanDerWaalsContact CZ-CD1 3.43Å; S174-L177 PolarHBondContact O-N 2.81Å; S174-L177 VanDerWaalsContact O-N 3.1Å; S174-L177 WeakPolarHBondContact OG-CG 3.49Å; S174-L177 PolarHBondContact OG-N 2.84Å; A175-L177 PolarHBondContact O-N 3.42Å; L177-V179 PolarHBondContact O-N 2.92Å |
| 178 | A | 94.4 | Very high | 95.8 | Very high | 6 Ų | 6 | 46.2 Ų | 46.2 | 5% | 0.05 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -75.5 | 120.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111 | E172 S174 A175 P180 N181 I182 L188 | E172-A178 VanDerWaalsContact OE2-CA 3.31Å; E172-A178 WeakPolarHBondContact OE2-CA 3.22Å; S174-A178 PolarHBondContact O-N 2.95Å; A175-A178 WeakPolarHBondContact O-CB 3.13Å; A175-A178 PolarHBondContact O-N 3.22Å; A175-A178 VanDerWaalsContact O-N 3.15Å; A178-P180 CarbonylContact O-C 3.19Å; A178-N181 WeakPolarHBondContact O-CA 3.5Å; A178-N181 PolarHBondContact O-N 3.49Å; A178-N181 VanDerWaalsContact O-N 3.07Å; A178-I182 HydrophobicContact CB-CG1 4.01Å; A178-L188 HydrophobicContact CB-CD1 3.87Å |
| 179 | V | 92.6 | Very high | 95.7 | Very high | 102 Ų | 102 | 48.7 Ų | 48.7 | 62% | 0.618 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -105.6 | 126.4 | -174.8 | -178 | 0 | 0 | 0 | 0 | 111.1 | L177 N181 S185 | L177-V179 PolarHBondContact O-N 2.92Å; V179-N181 VanDerWaalsContact C-N 3.33Å; V179-S185 VanDerWaalsContact O-CA 3.28Å; V179-S185 WeakPolarHBondContact O-CA 3.37Å |
| 180 | P | 93.4 | Very high | 95.6 | Very high | 92 Ų | 92 | 49.9 Ų | 49.9 | 60% | 0.597 | 28% | 0.278 | S | S | * | . | S | Bend | cis | -79.9 | -10.8 | -6.6 | 33.6 | -35.7 | 0 | 0 | 0 | 113.5 | A178 K184 | A178-P180 CarbonylContact O-C 3.19Å; P180-K184 HydrophobicContact CG-CB 3.86Å |
| 181 | N | 93.4 | Very high | 95.6 | Very high | 64 Ų | 64 | 49.9 Ų | 49.9 | 34% | 0.342 | 28% | 0.278 | S | S | . | . | trans | -169.9 | 171.4 | 171.6 | 51.1 | 77.1 | 0 | 0 | 0 | 108.4 | A178 V179 N183 K184 S185 | A178-N181 WeakPolarHBondContact O-CA 3.5Å; A178-N181 PolarHBondContact O-N 3.49Å; A178-N181 VanDerWaalsContact O-N 3.07Å; V179-N181 VanDerWaalsContact C-N 3.33Å; N181-N183 VanDerWaalsContact C-N 3.32Å; N181-N183 PolarHBondContact O-N 2.8Å; N181-N183 PolarHBondContact OD1-N 3.4Å; N181-K184 PolarHBondContact O-N 3.45Å; N181-K184 PolarHBondContact OD1-N 3.38Å; N181-S185 WeakPolarHBondContact O-CB 3.42Å; N181-S185 PolarHBondContact O-N 2.93Å | ||
| 182 | I | 92.5 | Very high | 95.6 | Very high | 35 Ų | 35 | 50.1 Ų | 50.1 | 18% | 0.179 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -49.4 | -49.1 | -178.8 | -65.1 | 170.5 | 0 | 0 | 0 | 112.6 | A175 A178 K184 L188 W203 L221 L224 | A175-I182 HydrophobicContact CB-CD1 3.47Å; A175-I182 VanDerWaalsContact CB-CD1 3.47Å; A175-I182 HydrophobicContact CB-CG1 3.98Å; A178-I182 HydrophobicContact CB-CG1 4.01Å; I182-K184 VanDerWaalsContact C-N 3.28Å; I182-K184 PolarHBondContact O-N 3.41Å; I182-L188 HydrophobicContact CG2-CD1 4.45Å; I182-W203 HydrophobicContact CD1-CZ2 3.99Å; I182-W203 HydrophobicContact CG1-CH2 4.36Å; I182-W203 HydrophobicContact CG1-CZ2 4.26Å; I182-L221 HydrophobicContact CG2-CD1 4.03Å; I182-L224 HydrophobicContact CG2-CD1 4.25Å; I182-L224 HydrophobicContact CG2-CD2 4.4Å; I182-L224 WeakPolarHBondContact O-CD1 3.32Å |
| 183 | N | 91.7 | Very high | 95.6 | Very high | 110 Ų | 110 | 53.3 Ų | 53.3 | 59% | 0.588 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -73.2 | -18.3 | -171.4 | -67.7 | -45.1 | 0 | 0 | 0 | 114.1 | N181 | N181-N183 VanDerWaalsContact C-N 3.32Å; N181-N183 PolarHBondContact O-N 2.8Å; N181-N183 PolarHBondContact OD1-N 3.4Å |
| 184 | K | 94.5 | Very high | 95.5 | Very high | 150 Ų | 150 | 53.9 Ų | 53.9 | 65% | 0.652 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -118.9 | 6.7 | -177.4 | -65.5 | -174.7 | -179.2 | 180 | 0 | 112.9 | P180 N181 I182 E186 | P180-K184 HydrophobicContact CG-CB 3.86Å; N181-K184 PolarHBondContact O-N 3.45Å; N181-K184 PolarHBondContact OD1-N 3.38Å; I182-K184 VanDerWaalsContact C-N 3.28Å; I182-K184 PolarHBondContact O-N 3.41Å; K184-E186 PolarHBondContact O-N 2.88Å |
| 185 | S | 96.1 | Very high | 95.6 | Very high | 3 Ų | 3 | 54.2 Ų | 54.2 | 2% | 0.021 | 32% | 0.316 | C | S | . | . | trans | -71.9 | 114.4 | 177.6 | 166.3 | 0 | 0 | 0 | 0 | 110.5 | E172 V179 N181 Y187 L188 A189 | E172-S185 WeakPolarHBondContact OE2-CB 3.47Å; E172-S185 PolarHBondContact OE2-OG 3.31Å; V179-S185 VanDerWaalsContact O-CA 3.28Å; V179-S185 WeakPolarHBondContact O-CA 3.37Å; N181-S185 WeakPolarHBondContact O-CB 3.42Å; N181-S185 PolarHBondContact O-N 2.93Å; S185-Y187 PolarHBondContact O-N 3.21Å; S185-Y187 PolarHBondContact OG-N 3.25Å; S185-L188 PolarHBondContact O-N 3.4Å; S185-L188 PolarHBondContact OG-N 3.04Å; S185-A189 WeakPolarHBondContact O-CB 3.49Å; S185-A189 PolarHBondContact O-N 2.8Å | ||
| 186 | E | 95.9 | Very high | 95.7 | Very high | 164 Ų | 164 | 53.6 Ų | 53.6 | 77% | 0.766 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -64.2 | -32.4 | 172.4 | -65.5 | -172.5 | 170.8 | 0 | 0 | 111.4 | K184 T190 | K184-E186 PolarHBondContact O-N 2.88Å; E186-T190 WeakPolarHBondContact O-CB 3.47Å; E186-T190 PolarHBondContact O-N 3.13Å; E186-T190 PolarHBondContact O-OG1 3.24Å |
| 187 | Y | 97.2 | Very high | 95.7 | Very high | 15 Ų | 15 | 54.4 Ų | 54.4 | 6% | 0.059 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.5 | -54.5 | 176 | 177.2 | -79.8 | 0 | 0 | 0 | 110.4 | A146 Q149 P170 T171 E172 S185 A189 T190 V191 | A146-Y187 HydrophobicContact CB-CD2 3.48Å; A146-Y187 VanDerWaalsContact CB-CD2 3.48Å; A146-Y187 HydrophobicContact CB-CE2 3.76Å; A146-Y187 HydrophobicContact CB-CG 3.94Å; Q149-Y187 PolarHBondContact OE1-OH 3.33Å; P170-Y187 WeakPolarHBondContact CA-OH 3.26Å; P170-Y187 HydrophobicContact CB-CE1 3.68Å; T171-Y187 PolarHBondContact N-OH 3.02Å; E172-Y187 HydrophobicContact CB-CD1 3.86Å; E172-Y187 HydrophobicContact CB-CE1 4.14Å; E172-Y187 HydrophobicContact CG-CD1 3.71Å; E172-Y187 HydrophobicContact CG-CE1 4.25Å; E172-Y187 HydrophobicContact CG-CG 4Å; E172-Y187 WeakPolarHBondContact OE1-CB 3.38Å; S185-Y187 PolarHBondContact O-N 3.21Å; S185-Y187 PolarHBondContact OG-N 3.25Å; Y187-A189 PolarHBondContact O-N 3.3Å; Y187-T190 WeakPolarHBondContact O-CB 3.32Å; Y187-T190 PolarHBondContact O-N 2.98Å; Y187-T190 VanDerWaalsContact O-N 3.15Å; Y187-V191 HydrophobicContact CD1-CG2 4.21Å; Y187-V191 HydrophobicContact CE1-CG2 3.74Å; Y187-V191 WeakPolarHBondContact O-CG2 3.11Å; Y187-V191 PolarHBondContact O-N 2.89Å |
| 188 | L | 97 | Very high | 95.7 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -67.6 | -35.4 | -179.4 | -67.2 | 177.4 | 0 | 0 | 0 | 112.3 | E172 A178 I182 S185 T190 V191 A192 W203 L224 L225 | E172-L188 HydrophobicContact CB-CD2 4.19Å; E172-L188 HydrophobicContact CB-CG 4.33Å; A178-L188 HydrophobicContact CB-CD1 3.87Å; I182-L188 HydrophobicContact CG2-CD1 4.45Å; S185-L188 PolarHBondContact O-N 3.4Å; S185-L188 PolarHBondContact OG-N 3.04Å; L188-T190 VanDerWaalsContact C-N 3.28Å; L188-T190 PolarHBondContact O-N 3.24Å; L188-V191 PolarHBondContact O-N 2.78Å; L188-A192 WeakPolarHBondContact O-CB 3.49Å; L188-A192 PolarHBondContact O-N 3.14Å; L188-W203 HydrophobicContact CD1-CH2 4Å; L188-W203 HydrophobicContact CD1-CZ3 4.23Å; L188-W203 HydrophobicContact CD2-CZ3 4.13Å; L188-L224 HydrophobicContact CB-CD2 4.2Å; L188-L225 HydrophobicContact CD2-CD2 4.47Å |
| 189 | A | 96.8 | Very high | 95.9 | Very high | 52 Ų | 52 | 52.7 Ų | 52.7 | 43% | 0.43 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.2 | -37.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112 | S185 Y187 S193 | S185-A189 WeakPolarHBondContact O-CB 3.49Å; S185-A189 PolarHBondContact O-N 2.8Å; Y187-A189 PolarHBondContact O-N 3.3Å; A189-S193 WeakPolarHBondContact O-CB 3.43Å; A189-S193 PolarHBondContact O-N 2.99Å; A189-S193 VanDerWaalsContact O-N 3.09Å; A189-S193 PolarHBondContact O-OG 3.36Å |
| 190 | T | 97.3 | Very high | 96.1 | Very high | 28 Ų | 28 | 48.2 Ų | 48.2 | 17% | 0.172 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -68.1 | -43.9 | 174.2 | -57.6 | 0 | 0 | 0 | 0 | 111.2 | A146 R147 E186 Y187 L188 S193 C194 | A146-T190 HydrophobicContact CB-CG2 3.77Å; R147-T190 HydrophobicContact CB-CG2 4.22Å; E186-T190 WeakPolarHBondContact O-CB 3.47Å; E186-T190 PolarHBondContact O-N 3.13Å; E186-T190 PolarHBondContact O-OG1 3.24Å; Y187-T190 WeakPolarHBondContact O-CB 3.32Å; Y187-T190 PolarHBondContact O-N 2.98Å; Y187-T190 VanDerWaalsContact O-N 3.15Å; L188-T190 VanDerWaalsContact C-N 3.28Å; L188-T190 PolarHBondContact O-N 3.24Å; T190-S193 PolarHBondContact O-N 2.83Å; T190-S193 PolarHBondContact O-OG 3.28Å; T190-C194 WeakPolarHBondContact O-CB 3.32Å; T190-C194 PolarHBondContact O-N 3.25Å |
| 191 | V | 97.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.4 | -51.8 | 174.1 | 174.9 | 0 | 0 | 0 | 0 | 110.6 | V150 F168 Y187 L188 S193 C194 L195 V201 | V150-V191 HydrophobicContact CG2-CB 4.42Å; V150-V191 HydrophobicContact CG2-CG2 4Å; F168-V191 HydrophobicContact CD1-CG1 4.36Å; F168-V191 HydrophobicContact CE1-CG1 4.07Å; F168-V191 HydrophobicContact CE1-CG2 4.09Å; Y187-V191 HydrophobicContact CD1-CG2 4.21Å; Y187-V191 HydrophobicContact CE1-CG2 3.74Å; Y187-V191 WeakPolarHBondContact O-CG2 3.11Å; Y187-V191 PolarHBondContact O-N 2.89Å; L188-V191 PolarHBondContact O-N 2.78Å; V191-S193 VanDerWaalsContact C-N 3.31Å; V191-S193 PolarHBondContact O-N 2.99Å; V191-C194 PolarHBondContact O-N 2.73Å; V191-L195 HydrophobicContact CG1-CB 4.44Å; V191-L195 HydrophobicContact CG1-CD2 4.08Å; V191-L195 WeakPolarHBondContact O-CB 3.35Å; V191-L195 PolarHBondContact O-N 3.03Å; V191-V201 HydrophobicContact CG1-CG2 4.33Å |
| 192 | A | 97.2 | Very high | 96.6 | Very high | 20 Ų | 20 | 40.9 Ų | 40.9 | 17% | 0.165 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.4 | -37.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | L188 L224 L225 | L188-A192 WeakPolarHBondContact O-CB 3.49Å; L188-A192 PolarHBondContact O-N 3.14Å; A192-L224 WeakPolarHBondContact CB-O 3.38Å; A192-L225 HydrophobicContact CB-CD2 4.48Å; A192-L225 WeakPolarHBondContact CB-O 3.42Å |
| 193 | S | 97 | Very high | 96.9 | Very high | 91 Ų | 91 | 39.4 Ų | 39.4 | 64% | 0.636 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -88.6 | -26.5 | -175.4 | 57.4 | 0 | 0 | 0 | 0 | 114.3 | A189 T190 V191 | A189-S193 WeakPolarHBondContact O-CB 3.43Å; A189-S193 PolarHBondContact O-N 2.99Å; A189-S193 VanDerWaalsContact O-N 3.09Å; A189-S193 PolarHBondContact O-OG 3.36Å; T190-S193 PolarHBondContact O-N 2.83Å; T190-S193 PolarHBondContact O-OG 3.28Å; V191-S193 VanDerWaalsContact C-N 3.31Å; V191-S193 PolarHBondContact O-N 2.99Å |
| 194 | C | 97.7 | Very high | 97.3 | Very high | 33 Ų | 33 | 34.4 Ų | 34.4 | 22% | 0.223 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -112.6 | -20.9 | -169 | -62 | 0 | 0 | 0 | 0 | 114.2 | R147 V150 N154 T190 V191 | R147-C194 PolarHBondContact NH1-SG 3.22Å; V150-C194 HydrophobicContact CB-CB 4.46Å; V150-C194 HydrophobicContact CG1-CB 3.57Å; V150-C194 VanDerWaalsContact CG1-O 3.31Å; V150-C194 WeakPolarHBondContact CG1-O 3.43Å; N154-C194 PolarHBondContact ND2-O 3.16Å; T190-C194 WeakPolarHBondContact O-CB 3.32Å; T190-C194 PolarHBondContact O-N 3.25Å; V191-C194 PolarHBondContact O-N 2.73Å |
| 195 | L | 98.4 | Very high | 97.4 | Very high | 8 Ų | 8 | 27.3 Ų | 27.3 | 4% | 0.042 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -71.9 | 141.1 | -178.4 | -169.8 | 71.1 | 0 | 0 | 0 | 110 | V150 A153 F168 V191 I199 V201 H227 | V150-L195 HydrophobicContact CG1-CB 4.06Å; V150-L195 HydrophobicContact CG1-CD1 4.15Å; V150-L195 HydrophobicContact CG2-CD1 4.39Å; A153-L195 HydrophobicContact CB-CD1 4.28Å; F168-L195 HydrophobicContact CB-CD1 4.47Å; F168-L195 HydrophobicContact CB-CD2 4.12Å; F168-L195 HydrophobicContact CD1-CD2 4.15Å; F168-L195 HydrophobicContact CD2-CD1 4.14Å; F168-L195 HydrophobicContact CG-CD1 4.18Å; F168-L195 HydrophobicContact CG-CD2 4.18Å; V191-L195 HydrophobicContact CG1-CB 4.44Å; V191-L195 HydrophobicContact CG1-CD2 4.08Å; V191-L195 WeakPolarHBondContact O-CB 3.35Å; V191-L195 PolarHBondContact O-N 3.03Å; L195-I199 HydrophobicContact CD1-CB 4.43Å; L195-I199 HydrophobicContact CD1-CD1 3.76Å; L195-I199 HydrophobicContact CD1-CG2 4.21Å; L195-I199 HydrophobicContact CD2-CB 4.1Å; L195-I199 HydrophobicContact CD2-CG2 3.76Å; L195-I199 HydrophobicContact CG-CB 4.04Å; L195-I199 HydrophobicContact CG-CD1 4.13Å; L195-I199 HydrophobicContact CG-CG2 4.09Å; L195-V201 HydrophobicContact CD2-CG2 3.76Å; L195-H227 PolarHBondContact O-CE1 3.41Å; L195-H227 VanDerWaalsContact O-CE1 3.23Å; L195-H227 PolarHBondContact O-NE2 3.11Å |
| 196 | A | 97.9 | Very high | 97.4 | Very high | 17 Ų | 17 | 28.9 Ų | 28.9 | 14% | 0.14 | 19% | 0.187 | C | C | . | . | trans | -62 | 131.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | N154 Y157 G198 I199 H227 | N154-A196 WeakPolarHBondContact OD1-CB 3.33Å; N154-A196 PolarHBondContact OD1-N 3.21Å; Y157-A196 HydrophobicContact CD1-CB 3.9Å; Y157-A196 HydrophobicContact CE1-CB 4.06Å; A196-G198 PolarHBondContact O-N 2.89Å; A196-I199 HydrophobicContact CB-CD1 3.91Å; A196-I199 HydrophobicContact CB-CG1 4.2Å; A196-I199 WeakPolarHBondContact O-CB 3.38Å; A196-I199 PolarHBondContact O-N 3.15Å; A196-H227 PolarHBondContact O-CE1 3.49Å; A196-H227 VanDerWaalsContact O-CE1 3.24Å | ||
| 197 | P | 96 | Very high | 97.4 | Very high | 88 Ų | 88 | 25 Ų | 25 | 57% | 0.571 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -14.8 | -169.4 | 23.8 | -35.2 | 0 | 0 | 0 | 114.8 | ||
| 198 | G | 95.1 | Very high | 97.4 | Very high | 34 Ų | 34 | 27 Ų | 27 | 35% | 0.351 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -13.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | A196 | A196-G198 PolarHBondContact O-N 2.89Š|
| 199 | I | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -85.1 | 132 | 179.2 | -60.2 | 174 | 0 | 0 | 0 | 109.4 | Y157 F166 F168 L195 A196 H227 | Y157-I199 HydrophobicContact CD1-CD1 4.16Å; Y157-I199 HydrophobicContact CD1-CG1 4.12Å; Y157-I199 HydrophobicContact CD2-CD1 4.31Å; Y157-I199 HydrophobicContact CD2-CG1 3.85Å; Y157-I199 HydrophobicContact CE1-CG1 4.39Å; Y157-I199 HydrophobicContact CE2-CG1 4.14Å; Y157-I199 HydrophobicContact CG-CD1 3.85Å; Y157-I199 HydrophobicContact CG-CG1 3.83Å; F166-I199 HydrophobicContact CB-CG1 4.33Å; F166-I199 HydrophobicContact CD1-CB 4.41Å; F166-I199 HydrophobicContact CD1-CD1 4.02Å; F166-I199 HydrophobicContact CD1-CG1 3.82Å; F166-I199 HydrophobicContact CD1-CG2 3.87Å; F166-I199 HydrophobicContact CE1-CD1 4.26Å; F166-I199 HydrophobicContact CG-CG1 4.36Å; F168-I199 HydrophobicContact CB-CG2 3.62Å; L195-I199 HydrophobicContact CD1-CB 4.43Å; L195-I199 HydrophobicContact CD1-CD1 3.76Å; L195-I199 HydrophobicContact CD1-CG2 4.21Å; L195-I199 HydrophobicContact CD2-CB 4.1Å; L195-I199 HydrophobicContact CD2-CG2 3.76Å; L195-I199 HydrophobicContact CG-CB 4.04Å; L195-I199 HydrophobicContact CG-CD1 4.13Å; L195-I199 HydrophobicContact CG-CG2 4.09Å; A196-I199 HydrophobicContact CB-CD1 3.91Å; A196-I199 HydrophobicContact CB-CG1 4.2Å; A196-I199 WeakPolarHBondContact O-CB 3.38Å; A196-I199 PolarHBondContact O-N 3.15Å; I199-H227 PolarHBondContact O-ND1 3.41Å |
| 200 | A | 98.2 | Very high | 97.4 | Very high | 9 Ų | 9 | 25.7 Ų | 25.7 | 7% | 0.074 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 142.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | F166 L167 F168 P228 V230 | F166-A200 PolarHBondContact O-N 3.22Å; L167-A200 CarbonylContact C-O 3.51Å; L167-A200 WeakPolarHBondContact CA-O 3.42Å; L167-A200 HydrophobicContact CD2-CB 3.84Å; F168-A200 PolarHBondContact N-O 2.96Å; A200-P228 CarbonylContact C-O 3.54Å; A200-P228 WeakPolarHBondContact CA-O 3.19Å; A200-P228 HydrophobicContact CB-CB 4.06Å; A200-P228 WeakPolarHBondContact CB-O 3.39Å; A200-V230 HydrophobicContact CB-CG2 4.12Å |
| 201 | V | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 130.9 | -179.8 | 178.2 | 0 | 0 | 0 | 0 | 109.7 | F168 P170 V191 L195 L225 H227 P228 I229 V230 | F168-V201 WeakPolarHBondContact O-CA 3.07Å; P170-V201 HydrophobicContact CG-CG1 4.08Å; V191-V201 HydrophobicContact CG1-CG2 4.33Å; L195-V201 HydrophobicContact CD2-CG2 3.76Å; V201-L225 HydrophobicContact CB-CD1 4.25Å; V201-L225 HydrophobicContact CG1-CD1 3.95Å; V201-H227 HydrophobicContact CG2-CB 3.77Å; V201-P228 PolarHBondContact N-O 3.45Å; V201-I229 WeakPolarHBondContact O-CA 3.45Å; V201-V230 PolarHBondContact O-N 3.25Å |
| 202 | I | 98.7 | Very high | 97.3 | Very high | 2 Ų | 2 | 35.4 Ų | 35.4 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 140.6 | 172.8 | -69.6 | 164.1 | 0 | 0 | 0 | 109.8 | L126 L167 F168 C169 P170 V230 W232 | L126-I202 HydrophobicContact CD2-CD1 3.97Å; L167-I202 HydrophobicContact CB-CD1 3.86Å; L167-I202 HydrophobicContact CB-CG1 4.18Å; L167-I202 HydrophobicContact CD1-CD1 4.25Å; F168-I202 PolarHBondContact O-N 2.86Å; C169-I202 HydrophobicContact CB-CB 4.09Å; C169-I202 HydrophobicContact CB-CD1 3.89Å; C169-I202 HydrophobicContact CB-CG2 4.39Å; P170-I202 WeakPolarHBondContact CD-O 3.43Å; I202-V230 WeakPolarHBondContact CA-O 3.48Å; I202-W232 HydrophobicContact CD1-CE3 4.3Å; I202-W232 HydrophobicContact CG2-CB 3.5Å; I202-W232 VanDerWaalsContact CG2-CB 3.5Å; I202-W232 HydrophobicContact CG2-CD2 4.47Å; I202-W232 HydrophobicContact CG2-CE3 4.03Å; I202-W232 HydrophobicContact CG2-CG 4.35Å |
| 203 | W | 98.6 | Very high | 97.4 | Very high | 4 Ų | 4 | 34.4 Ų | 34.4 | 2% | 0.015 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 146.4 | 177.7 | -164.1 | -105.1 | 0 | 0 | 0 | 111.5 | E172 A175 I182 L188 G205 L221 I229 V230 L231 W232 | E172-W203 WeakPolarHBondContact O-CZ3 3.44Å; A175-W203 HydrophobicContact CB-CZ2 4.45Å; A175-W203 VanDerWaalsContact N-CZ2 3.29Å; I182-W203 HydrophobicContact CD1-CZ2 3.99Å; I182-W203 HydrophobicContact CG1-CH2 4.36Å; I182-W203 HydrophobicContact CG1-CZ2 4.26Å; L188-W203 HydrophobicContact CD1-CH2 4Å; L188-W203 HydrophobicContact CD1-CZ3 4.23Å; L188-W203 HydrophobicContact CD2-CZ3 4.13Å; W203-G205 PolarHBondContact NE1-O 3.09Å; W203-L221 HydrophobicContact CB-CD2 4.3Å; W203-L221 VanDerWaalsContact CD1-CD2 3.46Å; W203-L221 HydrophobicContact CD2-CD1 4.44Å; W203-L221 HydrophobicContact CD2-CD2 3.48Å; W203-L221 VanDerWaalsContact CD2-CD2 3.48Å; W203-L221 VanDerWaalsContact CE2-CD2 3.45Å; W203-L221 HydrophobicContact CE3-CD1 4.46Å; W203-L221 HydrophobicContact CE3-CD2 4.16Å; W203-L221 HydrophobicContact CG-CD2 3.51Å; W203-L221 HydrophobicContact CH2-CD1 4.11Å; W203-L221 HydrophobicContact CZ2-CD1 4.06Å; W203-L221 HydrophobicContact CZ2-CD2 4.12Å; W203-L221 HydrophobicContact CZ3-CD1 4.28Å; W203-I229 HydrophobicContact CB-CG2 3.91Å; W203-V230 PolarHBondContact N-O 2.87Å; W203-L231 CarbonylContact O-C 3.47Å; W203-L231 WeakPolarHBondContact O-CA 3.37Å; W203-L231 VanDerWaalsContact O-CD1 3.3Å; W203-L231 WeakPolarHBondContact O-CD1 3.47Å; W203-W232 PolarHBondContact O-N 2.95Å |
| 204 | T | 98.4 | Very high | 97.3 | Very high | 4 Ų | 4 | 33.7 Ų | 33.7 | 3% | 0.025 | 19% | 0.189 | C | C | . | . | trans | -108 | -5.6 | -179.9 | 69.7 | 0 | 0 | 0 | 0 | 114.6 | Y173 S174 L207 S210 W232 | Y173-T204 HydrophobicContact CD2-CG2 3.61Å; Y173-T204 HydrophobicContact CE2-CG2 4.14Å; Y173-T204 PolarHBondContact O-N 3.47Å; Y173-T204 PolarHBondContact O-OG1 2.59Å; S174-T204 VanDerWaalsContact CB-OG1 3.27Å; S174-T204 WeakPolarHBondContact CB-OG1 3.5Å; T204-L207 PolarHBondContact OG1-O 2.77Å; T204-S210 PolarHBondContact O-OG 2.99Å; T204-W232 WeakPolarHBondContact CA-O 3.32Å; T204-W232 HydrophobicContact CG2-CB 4.31Å; T204-W232 WeakPolarHBondContact CG2-O 3.27Å | ||
| 205 | G | 97.5 | Very high | 97.3 | Very high | 2 Ų | 2 | 33.5 Ų | 33.5 | 2% | 0.021 | 19% | 0.187 | C | C | . | . | trans | 105.2 | -155.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | S174 A175 W203 L207 S210 | S174-G205 WeakPolarHBondContact CA-O 3.33Å; S174-G205 WeakPolarHBondContact CB-O 3.37Å; A175-G205 PolarHBondContact N-O 2.88Å; W203-G205 PolarHBondContact NE1-O 3.09Å; G205-L207 VanDerWaalsContact C-N 3.26Å; G205-L207 PolarHBondContact O-N 3.03Å; G205-S210 WeakPolarHBondContact CA-OG 3.3Å | ||
| 206 | P | 96.4 | Very high | 97.1 | Very high | 36 Ų | 36 | 40.2 Ų | 40.2 | 23% | 0.234 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -62.9 | -31.4 | 178.2 | 22.6 | -33.8 | 0 | 0 | 0 | 113.7 | A175 S176 S210 R212 | A175-P206 HydrophobicContact CB-CB 4.42Å; A175-P206 WeakPolarHBondContact CB-O 3.25Å; A175-P206 PolarHBondContact N-O 3.21Å; S176-P206 PolarHBondContact N-O 3.37Å; P206-S210 WeakPolarHBondContact CD-OG 3.35Å; P206-R212 WeakPolarHBondContact CG-O 3.38Å |
| 207 | L | 96.3 | Very high | 96.9 | Very high | 83 Ų | 83 | 43 Ų | 43 | 44% | 0.435 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -126.8 | 171 | -179.5 | -59.1 | 175.3 | 0 | 0 | 0 | 110.4 | T204 G205 V209 S210 | T204-L207 PolarHBondContact OG1-O 2.77Å; G205-L207 VanDerWaalsContact C-N 3.26Å; G205-L207 PolarHBondContact O-N 3.03Å; L207-V209 VanDerWaalsContact C-N 3.33Å; L207-V209 WeakPolarHBondContact CB-O 3.35Å; L207-S210 PolarHBondContact N-OG 3.4Å; L207-S210 VanDerWaalsContact N-OG 3.09Å; L207-S210 PolarHBondContact O-OG 3.23Å |
| 208 | V | 96.3 | Very high | 96.8 | Very high | 57 Ų | 57 | 38.9 Ų | 38.9 | 35% | 0.345 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -57.8 | -49 | 168.4 | -178.5 | 0 | 0 | 0 | 0 | 110.2 | Y173 N234 | Y173-V208 HydrophobicContact CE2-CG1 4.29Å; Y173-V208 HydrophobicContact CE2-CG2 3.96Å; V208-N234 WeakPolarHBondContact O-CB 3.45Å; V208-N234 PolarHBondContact O-ND2 3.25Å |
| 209 | V | 97 | Very high | 96.9 | Very high | 24 Ų | 24 | 43.7 Ų | 43.7 | 15% | 0.145 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -109.6 | 98.9 | 169.8 | -174.4 | 0 | 0 | 0 | 0 | 107.8 | L207 N234 Y240 P451 F452 | L207-V209 VanDerWaalsContact C-N 3.33Å; L207-V209 WeakPolarHBondContact CB-O 3.35Å; V209-N234 HydrophobicContact CG2-CB 4.1Å; V209-Y240 HydrophobicContact CG2-CD1 4.39Å; V209-Y240 HydrophobicContact CG2-CE1 3.83Å; V209-P451 HydrophobicContact CG1-CB 4.18Å; V209-P451 HydrophobicContact CG1-CG 4.13Å; V209-F452 HydrophobicContact CB-CZ 4.17Å; V209-F452 HydrophobicContact CG1-CE2 3.8Å; V209-F452 HydrophobicContact CG1-CZ 3.73Å; V209-F452 WeakPolarHBondContact O-CZ 3.26Å |
| 210 | S | 97.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | trans | -85.1 | 124.2 | -174 | -67.5 | 0 | 0 | 0 | 0 | 112.1 | T204 G205 P206 L207 R253 | T204-S210 PolarHBondContact O-OG 2.99Å; G205-S210 WeakPolarHBondContact CA-OG 3.3Å; P206-S210 WeakPolarHBondContact CD-OG 3.35Å; L207-S210 PolarHBondContact N-OG 3.4Å; L207-S210 VanDerWaalsContact N-OG 3.09Å; L207-S210 PolarHBondContact O-OG 3.23Å; S210-R253 VanDerWaalsContact O-CZ 3.23Å; S210-R253 PolarHBondContact O-NH1 3.34Å; S210-R253 PolarHBondContact O-NH2 3.2Å | ||
| 211 | K | 96 | Very high | 96.5 | Very high | 121 Ų | 121 | 47.5 Ų | 47.5 | 53% | 0.526 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -63.8 | -46.1 | 172.9 | -176 | 178.7 | -179.8 | 175.7 | 0 | 111.7 | R253 F452 | K211-R253 PolarHBondContact O-NH1 3.17Å; K211-F452 HydrophobicContact CB-CD1 4.48Å; K211-F452 HydrophobicContact CB-CD2 3.59Å; K211-F452 HydrophobicContact CB-CE2 3.82Å; K211-F452 HydrophobicContact CB-CG 3.95Å; K211-F452 HydrophobicContact CB-CZ 4.37Å; K211-F452 HydrophobicContact CD-CB 4.01Å; K211-F452 HydrophobicContact CD-CG 4.21Å; K211-F452 HydrophobicContact CG-CB 4Å; K211-F452 HydrophobicContact CG-CD2 3.81Å; K211-F452 HydrophobicContact CG-CG 3.93Å |
| 212 | R | 97.4 | Very high | 96.4 | Very high | 110 Ų | 110 | 49.3 Ų | 49.3 | 42% | 0.415 | 24% | 0.239 | S | C | . | . | trans | -137.3 | 152.6 | 175.2 | -62.3 | -176.7 | -175.4 | -117.3 | 5.9 | 109.4 | P206 L214 G252 V321 | P206-R212 WeakPolarHBondContact CG-O 3.38Å; R212-L214 HydrophobicContact CB-CD2 4.42Å; R212-G252 WeakPolarHBondContact CA-O 3.36Å; R212-V321 PolarHBondContact NH2-O 2.81Å | ||
| 213 | I | 97.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | trans | -127.2 | 106.8 | 172.2 | -58.4 | -176.7 | 0 | 0 | 0 | 107.1 | L218 L231 G252 R253 P254 L257 | I213-L218 HydrophobicContact CG2-CD2 3.22Å; I213-L218 HydrophobicContact CG2-CG 3.88Å; I213-L231 HydrophobicContact CD1-CD1 3.46Å; I213-L231 VanDerWaalsContact CD1-CD1 3.46Å; I213-L231 HydrophobicContact CD1-CD2 3.69Å; I213-L231 HydrophobicContact CD1-CG 4.18Å; I213-G252 PolarHBondContact N-O 3.43Å; I213-R253 HydrophobicContact CB-CG 4.19Å; I213-R253 HydrophobicContact CD1-CG 4.18Å; I213-R253 HydrophobicContact CG1-CG 4.34Å; I213-P254 WeakPolarHBondContact O-CD 3.46Å; I213-L257 HydrophobicContact CB-CD1 4.45Å; I213-L257 HydrophobicContact CG2-CD1 4.21Å | ||
| 214 | L | 96.4 | Very high | 95.9 | Very high | 76 Ų | 76 | 55.6 Ų | 55.6 | 40% | 0.398 | 28% | 0.277 | S | S | . | . | trans | -84 | 147.3 | -171.5 | -57.3 | 178.9 | 0 | 0 | 0 | 111.5 | R212 K216 E217 L218 | R212-L214 HydrophobicContact CB-CD2 4.42Å; L214-K216 PolarHBondContact O-N 2.85Å; L214-E217 HydrophobicContact CB-CG 4.06Å; L214-E217 WeakPolarHBondContact CB-OE2 3.34Å; L214-E217 PolarHBondContact N-OE2 3.22Å; L214-E217 PolarHBondContact O-N 2.77Å; L214-L218 PolarHBondContact O-N 3.28Å | ||
| 215 | T | 96.3 | Very high | 95.8 | Very high | 29 Ų | 29 | 55.4 Ų | 55.4 | 18% | 0.178 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.7 | -36 | 177.8 | -53.8 | 0 | 0 | 0 | 0 | 112.1 | K219 A256 K260 L262 | T215-K219 WeakPolarHBondContact O-CB 3.46Å; T215-K219 PolarHBondContact O-N 3.05Å; T215-K219 VanDerWaalsContact O-N 3.09Å; T215-A256 HydrophobicContact CG2-CB 4.04Å; T215-K260 HydrophobicContact CG2-CD 3.99Å; T215-L262 HydrophobicContact CG2-CD1 3.74Å |
| 216 | K | 95.4 | Very high | 95.7 | Very high | 149 Ų | 149 | 62.9 Ų | 62.9 | 65% | 0.648 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -64.5 | -50.7 | 179.5 | -178.3 | -176.8 | 172.9 | -172.7 | 0 | 111.4 | L214 L218 K219 E220 | L214-K216 PolarHBondContact O-N 2.85Å; K216-L218 VanDerWaalsContact C-N 3.34Å; K216-L218 PolarHBondContact O-N 3.26Å; K216-K219 WeakPolarHBondContact O-CB 3.42Å; K216-K219 PolarHBondContact O-N 3.05Å; K216-K219 VanDerWaalsContact O-N 3.13Å; K216-E220 WeakPolarHBondContact CE-OE1 3.34Å; K216-E220 PolarHBondContact O-N 3.22Å |
| 217 | E | 93 | Very high | 95.7 | Very high | 74 Ų | 74 | 61.7 Ų | 61.7 | 35% | 0.346 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.7 | -43.7 | -178.7 | -62.6 | 167.7 | 161.6 | 0 | 0 | 111.4 | L214 K219 E220 L221 | L214-E217 HydrophobicContact CB-CG 4.06Å; L214-E217 WeakPolarHBondContact CB-OE2 3.34Å; L214-E217 PolarHBondContact N-OE2 3.22Å; L214-E217 PolarHBondContact O-N 2.77Å; E217-K219 VanDerWaalsContact C-N 3.32Å; E217-K219 PolarHBondContact O-N 3Å; E217-E220 PolarHBondContact O-N 3.24Å; E217-L221 PolarHBondContact O-N 3.06Å |
| 218 | L | 95.2 | Very high | 95.7 | Very high | 3 Ų | 3 | 59 Ų | 59 | 2% | 0.016 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -69.5 | -29.2 | 177.8 | -98.6 | -73.7 | 0 | 0 | 0 | 113 | I213 L214 K216 L221 S222 I229 L257 L262 L263 | I213-L218 HydrophobicContact CG2-CD2 3.22Å; I213-L218 HydrophobicContact CG2-CG 3.88Å; L214-L218 PolarHBondContact O-N 3.28Å; K216-L218 VanDerWaalsContact C-N 3.34Å; K216-L218 PolarHBondContact O-N 3.26Å; L218-L221 HydrophobicContact CD1-CD2 4.17Å; L218-S222 WeakPolarHBondContact O-CB 3.49Å; L218-S222 PolarHBondContact O-N 2.97Å; L218-I229 HydrophobicContact CD1-CD1 4.1Å; L218-I229 HydrophobicContact CD1-CG2 4.23Å; L218-L257 HydrophobicContact CB-CD2 3.84Å; L218-L257 HydrophobicContact CG-CD2 4.08Å; L218-L262 HydrophobicContact CB-CD1 4.4Å; L218-L263 HydrophobicContact CD1-CD2 3.87Å |
| 219 | K | 95.6 | Very high | 95.8 | Very high | 134 Ų | 134 | 56.3 Ų | 56.3 | 58% | 0.583 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -68.4 | -41.8 | 172.9 | -174.5 | -177.6 | 178 | -173.5 | 0 | 111.4 | T215 K216 E217 S222 T223 L262 | T215-K219 WeakPolarHBondContact O-CB 3.46Å; T215-K219 PolarHBondContact O-N 3.05Å; T215-K219 VanDerWaalsContact O-N 3.09Å; K216-K219 WeakPolarHBondContact O-CB 3.42Å; K216-K219 PolarHBondContact O-N 3.05Å; K216-K219 VanDerWaalsContact O-N 3.13Å; E217-K219 VanDerWaalsContact C-N 3.32Å; E217-K219 PolarHBondContact O-N 3Å; K219-S222 PolarHBondContact O-N 2.9Å; K219-T223 PolarHBondContact O-N 3.39Å; K219-T223 PolarHBondContact O-OG1 2.97Å; K219-L262 HydrophobicContact CB-CD1 4.25Å; K219-L262 HydrophobicContact CB-CD2 4.22Å; K219-L262 HydrophobicContact CG-CD2 4.37Å |
| 220 | E | 93.8 | Very high | 95.8 | Very high | 88 Ų | 88 | 55.3 Ų | 55.3 | 41% | 0.411 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.1 | -48.6 | 174.9 | -70.3 | 171.8 | -165.5 | 0 | 0 | 110.5 | K216 E217 S222 T223 L224 | K216-E220 WeakPolarHBondContact CE-OE1 3.34Å; K216-E220 PolarHBondContact O-N 3.22Å; E217-E220 PolarHBondContact O-N 3.24Å; E220-S222 PolarHBondContact O-N 2.9Å; E220-T223 WeakPolarHBondContact O-CB 3.33Å; E220-T223 PolarHBondContact O-N 2.77Å; E220-L224 PolarHBondContact O-N 3.07Å |
| 221 | L | 95.6 | Very high | 95.9 | Very high | 2 Ų | 2 | 55.3 Ų | 55.3 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.7 | -45.2 | 175.8 | -177 | 68.3 | 0 | 0 | 0 | 112.6 | I182 W203 E217 L218 T223 L224 L225 I229 | I182-L221 HydrophobicContact CG2-CD1 4.03Å; W203-L221 HydrophobicContact CB-CD2 4.3Å; W203-L221 VanDerWaalsContact CD1-CD2 3.46Å; W203-L221 HydrophobicContact CD2-CD1 4.44Å; W203-L221 HydrophobicContact CD2-CD2 3.48Å; W203-L221 VanDerWaalsContact CD2-CD2 3.48Å; W203-L221 VanDerWaalsContact CE2-CD2 3.45Å; W203-L221 HydrophobicContact CE3-CD1 4.46Å; W203-L221 HydrophobicContact CE3-CD2 4.16Å; W203-L221 HydrophobicContact CG-CD2 3.51Å; W203-L221 HydrophobicContact CH2-CD1 4.11Å; W203-L221 HydrophobicContact CZ2-CD1 4.06Å; W203-L221 HydrophobicContact CZ2-CD2 4.12Å; W203-L221 HydrophobicContact CZ3-CD1 4.28Å; E217-L221 PolarHBondContact O-N 3.06Å; L218-L221 HydrophobicContact CD1-CD2 4.17Å; L221-T223 VanDerWaalsContact C-N 3.26Å; L221-T223 PolarHBondContact O-N 2.93Å; L221-L224 PolarHBondContact O-N 2.67Å; L221-L225 HydrophobicContact CD1-CD1 3.71Å; L221-L225 HydrophobicContact CD1-CG 3.87Å; L221-L225 HydrophobicContact CD2-CD1 4.24Å; L221-L225 HydrophobicContact CG-CD1 3.76Å; L221-L225 HydrophobicContact CG-CG 4.21Å; L221-L225 WeakPolarHBondContact O-CB 3.49Å; L221-L225 PolarHBondContact O-N 3.26Å; L221-I229 HydrophobicContact CB-CD1 4.48Å; L221-I229 HydrophobicContact CD2-CD1 3.92Å; L221-I229 HydrophobicContact CG-CD1 3.99Å |
| 222 | S | 95.1 | Very high | 96 | Very high | 38 Ų | 38 | 50.1 Ų | 50.1 | 27% | 0.266 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.7 | -36 | 178.4 | 179.1 | 0 | 0 | 0 | 0 | 112.1 | L218 K219 E220 Q226 | L218-S222 WeakPolarHBondContact O-CB 3.49Å; L218-S222 PolarHBondContact O-N 2.97Å; K219-S222 PolarHBondContact O-N 2.9Å; E220-S222 PolarHBondContact O-N 2.9Å; S222-Q226 PolarHBondContact O-N 3.47Å |
| 223 | T | 94.1 | Very high | 96.1 | Very high | 95 Ų | 95 | 44.9 Ų | 44.9 | 58% | 0.583 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -69.1 | -40 | 176.3 | -55.4 | 0 | 0 | 0 | 0 | 111.6 | K219 E220 L221 Q226 | K219-T223 PolarHBondContact O-N 3.39Å; K219-T223 PolarHBondContact O-OG1 2.97Å; E220-T223 WeakPolarHBondContact O-CB 3.33Å; E220-T223 PolarHBondContact O-N 2.77Å; L221-T223 VanDerWaalsContact C-N 3.26Å; L221-T223 PolarHBondContact O-N 2.93Å; T223-Q226 VanDerWaalsContact O-CG 3.3Å; T223-Q226 WeakPolarHBondContact O-CG 3.47Å |
| 224 | L | 93.7 | Very high | 96.1 | Very high | 43 Ų | 43 | 45.6 Ų | 45.6 | 23% | 0.225 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -71.1 | -50.8 | 178.9 | 180 | 136.5 | 0 | 0 | 0 | 111.9 | I182 L188 A192 E220 L221 | I182-L224 HydrophobicContact CG2-CD1 4.25Å; I182-L224 HydrophobicContact CG2-CD2 4.4Å; I182-L224 WeakPolarHBondContact O-CD1 3.32Å; L188-L224 HydrophobicContact CB-CD2 4.2Å; A192-L224 WeakPolarHBondContact CB-O 3.38Å; E220-L224 PolarHBondContact O-N 3.07Å; L221-L224 PolarHBondContact O-N 2.67Å |
| 225 | L | 95.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -70.7 | -38.6 | -176.8 | -70.3 | 179.2 | 0 | 0 | 0 | 112 | L188 A192 V201 L221 H227 I229 | L188-L225 HydrophobicContact CD2-CD2 4.47Å; A192-L225 HydrophobicContact CB-CD2 4.48Å; A192-L225 WeakPolarHBondContact CB-O 3.42Å; V201-L225 HydrophobicContact CB-CD1 4.25Å; V201-L225 HydrophobicContact CG1-CD1 3.95Å; L221-L225 HydrophobicContact CD1-CD1 3.71Å; L221-L225 HydrophobicContact CD1-CG 3.87Å; L221-L225 HydrophobicContact CD2-CD1 4.24Å; L221-L225 HydrophobicContact CG-CD1 3.76Å; L221-L225 HydrophobicContact CG-CG 4.21Å; L221-L225 WeakPolarHBondContact O-CB 3.49Å; L221-L225 PolarHBondContact O-N 3.26Å; L225-H227 PolarHBondContact O-CD2 3.16Å; L225-H227 PolarHBondContact O-N 3.15Å; L225-H227 VanDerWaalsContact O-N 3.08Å; L225-I229 HydrophobicContact CD1-CD1 4.34Å; L225-I229 HydrophobicContact CD1-CG1 4.25Å |
| 226 | Q | 95.1 | Very high | 96.3 | Very high | 158 Ų | 158 | 40.8 Ų | 40.8 | 74% | 0.738 | 20% | 0.201 | S | C | * | . | trans | 57.8 | 17 | -173.1 | -52.5 | -177.7 | 12.9 | 0 | 0 | 114.6 | S222 T223 | S222-Q226 PolarHBondContact O-N 3.47Å; T223-Q226 VanDerWaalsContact O-CG 3.3Å; T223-Q226 WeakPolarHBondContact O-CG 3.47Å | ||
| 227 | H | 96.8 | Very high | 96.5 | Very high | 12 Ų | 12 | 33.7 Ų | 33.7 | 6% | 0.056 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -112.9 | 155.3 | 174.9 | -77.9 | -91.2 | 0 | 0 | 0 | 111.2 | L195 A196 I199 V201 L225 I229 | L195-H227 PolarHBondContact O-CE1 3.41Å; L195-H227 VanDerWaalsContact O-CE1 3.23Å; L195-H227 PolarHBondContact O-NE2 3.11Å; A196-H227 PolarHBondContact O-CE1 3.49Å; A196-H227 VanDerWaalsContact O-CE1 3.24Å; I199-H227 PolarHBondContact O-ND1 3.41Å; V201-H227 HydrophobicContact CG2-CB 3.77Å; L225-H227 PolarHBondContact O-CD2 3.16Å; L225-H227 PolarHBondContact O-N 3.15Å; L225-H227 VanDerWaalsContact O-N 3.08Å; H227-I229 PolarHBondContact O-N 2.93Å |
| 228 | P | 96.3 | Very high | 96.7 | Very high | 26 Ų | 26 | 30.3 Ų | 30.3 | 17% | 0.169 | 15% | 0.154 | C | C | . | . | trans | -59.8 | 132.1 | 167.8 | -18.8 | 31.2 | 0 | 0 | 0 | 110.7 | F9 A200 V201 R264 | F9-P228 HydrophobicContact CE1-CG 3.99Å; F9-P228 HydrophobicContact CZ-CG 4.44Å; A200-P228 CarbonylContact C-O 3.54Å; A200-P228 WeakPolarHBondContact CA-O 3.19Å; A200-P228 HydrophobicContact CB-CB 4.06Å; A200-P228 WeakPolarHBondContact CB-O 3.39Å; V201-P228 PolarHBondContact N-O 3.45Å; P228-R264 HydrophobicContact CB-CB 3.85Å; P228-R264 HydrophobicContact CB-CG 3.94Å | ||
| 229 | I | 98 | Very high | 96.6 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 128 | -179.1 | -62.1 | 165.8 | 0 | 0 | 0 | 109.8 | V201 W203 L218 L221 L225 H227 L263 R264 | V201-I229 WeakPolarHBondContact O-CA 3.45Å; W203-I229 HydrophobicContact CB-CG2 3.91Å; L218-I229 HydrophobicContact CD1-CD1 4.1Å; L218-I229 HydrophobicContact CD1-CG2 4.23Å; L221-I229 HydrophobicContact CB-CD1 4.48Å; L221-I229 HydrophobicContact CD2-CD1 3.92Å; L221-I229 HydrophobicContact CG-CD1 3.99Å; L225-I229 HydrophobicContact CD1-CD1 4.34Å; L225-I229 HydrophobicContact CD1-CG1 4.25Å; H227-I229 PolarHBondContact O-N 2.93Å; I229-L263 HydrophobicContact CB-CD2 4.19Å; I229-L263 HydrophobicContact CG2-CD2 3.81Å; I229-R264 WeakPolarHBondContact O-CB 3.12Å; I229-R264 PolarHBondContact O-N 3.42Å |
| 230 | V | 98.5 | Very high | 96.4 | Very high | 2 Ų | 2 | 30.6 Ų | 30.6 | 1% | 0.012 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 122 | 167.9 | 176.8 | 0 | 0 | 0 | 0 | 108.1 | L15 L167 A200 V201 I202 W203 W232 R264 L267 | L15-V230 HydrophobicContact CD1-CG2 4.29Å; L167-V230 HydrophobicContact CD2-CG2 3.95Å; A200-V230 HydrophobicContact CB-CG2 4.12Å; V201-V230 PolarHBondContact O-N 3.25Å; I202-V230 WeakPolarHBondContact CA-O 3.48Å; W203-V230 PolarHBondContact N-O 2.87Å; V230-W232 PolarHBondContact O-N 3.07Å; V230-R264 HydrophobicContact CG2-CB 4.07Å; V230-R264 HydrophobicContact CG2-CG 4.36Å; V230-L267 HydrophobicContact CG1-CD1 3.98Å; V230-L267 HydrophobicContact CG1-CG 3.94Å |
| 231 | L | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 121 | 177.3 | -169.6 | 74.6 | 0 | 0 | 0 | 109.4 | W203 I213 D233 R253 L263 G265 V266 L267 | W203-L231 CarbonylContact O-C 3.47Å; W203-L231 WeakPolarHBondContact O-CA 3.37Å; W203-L231 VanDerWaalsContact O-CD1 3.3Å; W203-L231 WeakPolarHBondContact O-CD1 3.47Å; I213-L231 HydrophobicContact CD1-CD1 3.46Å; I213-L231 VanDerWaalsContact CD1-CD1 3.46Å; I213-L231 HydrophobicContact CD1-CD2 3.69Å; I213-L231 HydrophobicContact CD1-CG 4.18Å; L231-D233 HydrophobicContact CD2-CB 3.95Å; L231-D233 WeakPolarHBondContact CD2-OD2 3.43Å; L231-D233 HydrophobicContact CG-CB 4.18Å; L231-R253 HydrophobicContact CD2-CG 4.37Å; L231-L263 HydrophobicContact CB-CD1 4.39Å; L231-L263 HydrophobicContact CB-CD2 4.37Å; L231-G265 PolarHBondContact N-O 2.85Å; L231-V266 HydrophobicContact CB-CG2 4.09Å; L231-V266 HydrophobicContact CD2-CG1 4.28Å; L231-V266 HydrophobicContact CD2-CG2 4.23Å; L231-V266 WeakPolarHBondContact O-CA 3.44Å; L231-L267 PolarHBondContact O-N 3.28Å |
| 232 | W | 98.7 | Very high | 95.4 | Very high | 13 Ų | 13 | 36.6 Ų | 36.6 | 5% | 0.049 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 105.5 | 161.4 | 178.7 | -46.5 | 0 | 0 | 0 | 106.5 | V19 L48 A50 L126 I202 W203 T204 V230 N234 L267 N269 | V19-W232 HydrophobicContact CG1-CD2 3.97Å; V19-W232 HydrophobicContact CG1-CG 4.2Å; V19-W232 HydrophobicContact CG1-CZ2 4.33Å; V19-W232 HydrophobicContact CG2-CD2 4.27Å; V19-W232 HydrophobicContact CG2-CE3 4.1Å; V19-W232 HydrophobicContact CG2-CH2 3.64Å; V19-W232 HydrophobicContact CG2-CZ2 3.81Å; V19-W232 HydrophobicContact CG2-CZ3 3.8Å; L48-W232 HydrophobicContact CD2-CE3 4.23Å; L48-W232 HydrophobicContact CD2-CZ3 4.06Å; A50-W232 HydrophobicContact CB-CH2 4.17Å; L126-W232 HydrophobicContact CD1-CH2 4.39Å; L126-W232 HydrophobicContact CD1-CZ3 4.19Å; L126-W232 HydrophobicContact CD2-CZ3 4.3Å; I202-W232 HydrophobicContact CD1-CE3 4.3Å; I202-W232 HydrophobicContact CG2-CB 3.5Å; I202-W232 VanDerWaalsContact CG2-CB 3.5Å; I202-W232 HydrophobicContact CG2-CD2 4.47Å; I202-W232 HydrophobicContact CG2-CE3 4.03Å; I202-W232 HydrophobicContact CG2-CG 4.35Å; W203-W232 PolarHBondContact O-N 2.95Å; T204-W232 WeakPolarHBondContact CA-O 3.32Å; T204-W232 HydrophobicContact CG2-CB 4.31Å; T204-W232 WeakPolarHBondContact CG2-O 3.27Å; V230-W232 PolarHBondContact O-N 3.07Å; W232-N234 VanDerWaalsContact CD1-OD1 3.28Å; W232-N234 PolarHBondContact NE1-OD1 2.9Å; W232-L267 WeakPolarHBondContact CA-O 3.39Å; W232-N269 VanDerWaalsContact NE1-CB 3.35Å |
| 233 | D | 98.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 110.3 | -170.2 | -154.5 | -23.6 | 0 | 0 | 0 | 111.8 | L231 L235 Y250 R253 V266 L267 N269 | L231-D233 HydrophobicContact CD2-CB 3.95Å; L231-D233 WeakPolarHBondContact CD2-OD2 3.43Å; L231-D233 HydrophobicContact CG-CB 4.18Å; D233-L235 VanDerWaalsContact C-N 3.29Å; D233-L235 PolarHBondContact O-N 2.75Å; D233-L235 WeakPolarHBondContact OD1-CB 3.43Å; D233-L235 PolarHBondContact OD1-N 3.13Å; D233-L235 VanDerWaalsContact OD1-N 3.15Å; D233-Y250 HydrophobicContact CB-CE2 4.4Å; D233-Y250 VanDerWaalsContact OD2-CE2 3.28Å; D233-Y250 WeakPolarHBondContact OD2-CE2 3.48Å; D233-Y250 PolarHBondContact OD2-OH 2.7Å; D233-R253 IonicContact OD1-CZ 3.48Å; D233-R253 IonicContact OD1-NE 3.44Å; D233-R253 IonicContact OD1-NH2 2.67Å; D233-R253 PolarHBondContact OD1-NH2 3.42Å; D233-R253 WeakPolarHBondContact OD2-CD 3.34Å; D233-R253 IonicContact OD2-CZ 2.75Å; D233-R253 IonicContact OD2-NE 3.77Å; D233-R253 PolarHBondContact OD2-NE 3.24Å; D233-R253 IonicContact OD2-NH2 3.59Å; D233-R253 PolarHBondContact OD2-NH2 3.46Å; D233-V266 HydrophobicContact CB-CG1 4.41Å; D233-L267 PolarHBondContact N-O 3.19Å; D233-N269 PolarHBondContact O-N 2.8Å |
| 234 | N | 98.5 | Very high | 94.9 | Very high | 14 Ų | 14 | 39 Ų | 39 | 8% | 0.075 | 18% | 0.178 | C | C | . | . | trans | -88.7 | 16 | 178.1 | -63.5 | -48.1 | 0 | 0 | 0 | 113.2 | V208 V209 W232 H236 A237 N269 | V208-N234 WeakPolarHBondContact O-CB 3.45Å; V208-N234 PolarHBondContact O-ND2 3.25Å; V209-N234 HydrophobicContact CG2-CB 4.1Å; W232-N234 VanDerWaalsContact CD1-OD1 3.28Å; W232-N234 PolarHBondContact NE1-OD1 2.9Å; N234-H236 PolarHBondContact O-N 3.48Å; N234-H236 VanDerWaalsContact O-N 3.07Å; N234-A237 HydrophobicContact CB-CB 3.99Å; N234-A237 PolarHBondContact O-N 2.94Å; N234-A237 VanDerWaalsContact O-N 3.13Å; N234-N269 VanDerWaalsContact OD1-CB 3.24Å; N234-N269 WeakPolarHBondContact OD1-CB 2.93Å; N234-N269 PolarHBondContact OD1-ND2 3.04Å | ||
| 235 | L | 98.3 | Very high | 95.1 | Very high | 4 Ų | 4 | 37.1 Ų | 37.1 | 2% | 0.021 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | -31.2 | -179.8 | 179.2 | 64.1 | 0 | 0 | 0 | 113.4 | D233 Y250 S251 L450 P451 | D233-L235 VanDerWaalsContact C-N 3.29Å; D233-L235 PolarHBondContact O-N 2.75Å; D233-L235 WeakPolarHBondContact OD1-CB 3.43Å; D233-L235 PolarHBondContact OD1-N 3.13Å; D233-L235 VanDerWaalsContact OD1-N 3.15Å; L235-Y250 HydrophobicContact CD2-CD2 4.01Å; L235-Y250 HydrophobicContact CD2-CE2 4.44Å; L235-S251 WeakPolarHBondContact CD2-O 3.04Å; L235-L450 HydrophobicContact CD1-CD2 4.37Å; L235-L450 HydrophobicContact CD2-CD2 4.49Å; L235-L450 HydrophobicContact CG-CD2 4.29Å; L235-P451 WeakPolarHBondContact O-CD 3.29Å; L235-P451 WeakPolarHBondContact O-CG 3.29Å |
| 236 | H | 98.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.7 | 5.9 | -178.6 | -67.8 | 102.5 | 0 | 0 | 0 | 113.6 | N234 G248 P270 N271 A280 | N234-H236 PolarHBondContact O-N 3.48Å; N234-H236 VanDerWaalsContact O-N 3.07Å; H236-G248 PolarHBondContact NE2-O 3.39Å; H236-P270 CarbonylContact O-C 3.38Å; H236-N271 PolarHBondContact O-N 3.39Å; H236-N271 PolarHBondContact O-OD1 2.9Å; H236-A280 HydrophobicContact CB-CB 4.1Å |
| 237 | A | 98.1 | Very high | 95.4 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.008 | 13% | 0.134 | C | C | . | . | trans | -68.5 | 139.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | N234 Y240 F246 N269 P270 | N234-A237 HydrophobicContact CB-CB 3.99Å; N234-A237 PolarHBondContact O-N 2.94Å; N234-A237 VanDerWaalsContact O-N 3.13Å; A237-Y240 HydrophobicContact CB-CE1 4.3Å; A237-Y240 WeakPolarHBondContact O-CE1 3.41Å; A237-Y240 VanDerWaalsContact O-CZ 3.24Å; A237-Y240 PolarHBondContact O-OH 3.1Å; A237-F246 WeakPolarHBondContact O-CD2 3.47Å; A237-F246 WeakPolarHBondContact O-CE2 3.29Å; A237-N269 PolarHBondContact N-O 3.27Å; A237-P270 WeakPolarHBondContact CA-O 3.27Å | ||
| 238 | N | 97.1 | Very high | 95.4 | Very high | 2 Ų | 2 | 29.3 Ų | 29.3 | 1% | 0.011 | 13% | 0.131 | C | C | . | . | trans | -130 | 6.4 | 177.5 | 74.6 | -25.9 | 0 | 0 | 0 | 114.3 | Y240 D241 R244 F246 N271 C272 E273 | N238-Y240 PolarHBondContact O-N 3.29Å; N238-D241 CarbonylContact O-C 3.45Å; N238-D241 VanDerWaalsContact O-C 3.23Å; N238-D241 PolarHBondContact O-N 2.79Å; N238-D241 VanDerWaalsContact O-O 3.11Å; N238-R244 VanDerWaalsContact CB-O 3.3Å; N238-R244 WeakPolarHBondContact CB-O 3.34Å; N238-R244 PolarHBondContact ND2-O 3.41Å; N238-F246 HydrophobicContact CB-CD2 4.06Å; N238-F246 HydrophobicContact CB-CE2 3.84Å; N238-N271 VanDerWaalsContact OD1-CA 3.23Å; N238-N271 WeakPolarHBondContact OD1-CA 3.44Å; N238-C272 PolarHBondContact OD1-N 3.48Å; N238-C272 PolarHBondContact OD1-SG 2.87Å; N238-C272 VanDerWaalsContact OD1-SG 3.34Å; N238-E273 PolarHBondContact ND2-OE2 2.74Å | ||
| 239 | D | 95.1 | Very high | 95.5 | Very high | 41 Ų | 41 | 28 Ų | 28 | 22% | 0.219 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -27.9 | 178.8 | 54.9 | -13.3 | 0 | 0 | 0 | 113.6 | F22 Y23 D241 | F22-D239 VanDerWaalsContact CA-OD2 3.32Å; F22-D239 WeakPolarHBondContact CA-OD2 3.49Å; F22-D239 HydrophobicContact CB-CB 4.02Å; Y23-D239 PolarHBondContact N-OD2 3.22Å; Y23-D239 WeakPolarHBondContact O-CB 3.48Å; D239-D241 VanDerWaalsContact C-N 3.32Å; D239-D241 PolarHBondContact O-N 3.32Å |
| 240 | Y | 90.8 | Very high | 95.6 | Very high | 102 Ų | 102 | 28 Ų | 28 | 40% | 0.4 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -14 | 174.9 | 59 | -97.7 | 0 | 0 | 0 | 114.6 | V209 A237 N238 F246 | V209-Y240 HydrophobicContact CG2-CD1 4.39Å; V209-Y240 HydrophobicContact CG2-CE1 3.83Å; A237-Y240 HydrophobicContact CB-CE1 4.3Å; A237-Y240 WeakPolarHBondContact O-CE1 3.41Å; A237-Y240 VanDerWaalsContact O-CZ 3.24Å; A237-Y240 PolarHBondContact O-OH 3.1Å; N238-Y240 PolarHBondContact O-N 3.29Å; Y240-F246 WeakPolarHBondContact OH-CE2 3.26Å; Y240-F246 VanDerWaalsContact OH-CZ 3.23Å; Y240-F246 WeakPolarHBondContact OH-CZ 3.42Å |
| 241 | D | 87.2 | Confident | 95.5 | Very high | 59 Ų | 59 | 29.7 Ų | 29.7 | 32% | 0.316 | 14% | 0.135 | S | C | . | . | trans | -155.5 | 99.7 | 177 | -172.8 | -12.1 | 0 | 0 | 0 | 111.8 | N238 D239 R243 R244 | N238-D241 CarbonylContact O-C 3.45Å; N238-D241 VanDerWaalsContact O-C 3.23Å; N238-D241 PolarHBondContact O-N 2.79Å; N238-D241 VanDerWaalsContact O-O 3.11Å; D239-D241 VanDerWaalsContact C-N 3.32Å; D239-D241 PolarHBondContact O-N 3.32Å; D241-R243 PolarHBondContact O-N 3.32Å; D241-R243 VanDerWaalsContact O-N 3.08Å; D241-R243 WeakPolarHBondContact OD1-CB 3.46Å; D241-R243 PolarHBondContact OD1-N 3.05Å; D241-R244 HydrophobicContact CB-CB 4.43Å; D241-R244 HydrophobicContact CB-CG 4.09Å; D241-R244 PolarHBondContact O-N 2.97Å; D241-R244 WeakPolarHBondContact OD2-CD 3.2Å; D241-R244 WeakPolarHBondContact OD2-CG 3.47Å | ||
| 242 | Q | 81.5 | Confident | 95.4 | Very high | 157 Ų | 157 | 30.6 Ų | 30.6 | 73% | 0.734 | 14% | 0.144 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -13.4 | -178.1 | -64.7 | 177.8 | -3.4 | 0 | 0 | 114.4 | R244 | Q242-R244 VanDerWaalsContact C-N 3.27Š|
| 243 | R | 84.7 | Confident | 95.3 | Very high | 104 Ų | 104 | 30.3 Ų | 30.3 | 39% | 0.392 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -6 | 174.5 | -62 | -169.4 | -173.5 | 161.3 | 10.3 | 112.7 | D241 G582 T586 | D241-R243 PolarHBondContact O-N 3.32Å; D241-R243 VanDerWaalsContact O-N 3.08Å; D241-R243 WeakPolarHBondContact OD1-CB 3.46Å; D241-R243 PolarHBondContact OD1-N 3.05Å; R243-G582 PolarHBondContact NH2-O 2.84Å; R243-T586 PolarHBondContact NH1-OG1 2.71Å |
| 244 | R | 93 | Very high | 95.2 | Very high | 81 Ų | 81 | 32.8 Ų | 32.8 | 31% | 0.306 | 16% | 0.159 | S | C | . | . | trans | -111.2 | 144.4 | -175.7 | -59.5 | 178.4 | 71.4 | -175.8 | 8.6 | 110.4 | N238 D241 Q242 F246 P451 | N238-R244 VanDerWaalsContact CB-O 3.3Å; N238-R244 WeakPolarHBondContact CB-O 3.34Å; N238-R244 PolarHBondContact ND2-O 3.41Å; D241-R244 HydrophobicContact CB-CB 4.43Å; D241-R244 HydrophobicContact CB-CG 4.09Å; D241-R244 PolarHBondContact O-N 2.97Å; D241-R244 WeakPolarHBondContact OD2-CD 3.2Å; D241-R244 WeakPolarHBondContact OD2-CG 3.47Å; Q242-R244 VanDerWaalsContact C-N 3.27Å; R244-F246 HydrophobicContact CB-CE1 4.36Å; R244-F246 HydrophobicContact CB-CE2 4.31Å; R244-F246 HydrophobicContact CB-CZ 3.85Å; R244-P451 VanDerWaalsContact NH2-C 3.29Å; R244-P451 PolarHBondContact NH2-O 3.17Å | ||
| 245 | V | 97.5 | Very high | 95.1 | Very high | 3 Ų | 3 | 33 Ų | 33 | 2% | 0.018 | 16% | 0.16 | C | C | . | . | trans | -142.4 | 143.4 | 169.7 | 64.4 | 0 | 0 | 0 | 0 | 107.8 | I247 N271 A276 F448 Y524 | V245-I247 HydrophobicContact CG2-CD1 4.05Å; V245-N271 HydrophobicContact CG2-CB 4.47Å; V245-A276 HydrophobicContact CG2-CB 3.7Å; V245-F448 HydrophobicContact CG1-CB 3.91Å; V245-F448 HydrophobicContact CG1-CD1 3.59Å; V245-F448 HydrophobicContact CG1-CE1 4.26Å; V245-F448 HydrophobicContact CG1-CG 3.75Å; V245-F448 WeakPolarHBondContact O-CB 3.26Å; V245-Y524 HydrophobicContact CB-CD1 4.13Å; V245-Y524 HydrophobicContact CB-CD2 4.26Å; V245-Y524 HydrophobicContact CB-CE1 3.88Å; V245-Y524 HydrophobicContact CB-CE2 4.01Å; V245-Y524 HydrophobicContact CB-CG 4.31Å; V245-Y524 HydrophobicContact CG1-CD1 3.73Å; V245-Y524 HydrophobicContact CG1-CD2 3.86Å; V245-Y524 HydrophobicContact CG1-CE1 4.03Å; V245-Y524 HydrophobicContact CG1-CE2 4.14Å; V245-Y524 HydrophobicContact CG1-CG 3.64Å; V245-Y524 HydrophobicContact CG2-CE2 4.29Å | ||
| 246 | F | 98.4 | Very high | 94.9 | Very high | 5 Ų | 5 | 33.4 Ų | 33.4 | 2% | 0.022 | 16% | 0.164 | C | C | . | . | trans | -119.5 | 107.2 | -171.4 | -56 | -64.3 | 0 | 0 | 0 | 111.5 | A237 N238 Y240 R244 N271 P451 | A237-F246 WeakPolarHBondContact O-CD2 3.47Å; A237-F246 WeakPolarHBondContact O-CE2 3.29Å; N238-F246 HydrophobicContact CB-CD2 4.06Å; N238-F246 HydrophobicContact CB-CE2 3.84Å; Y240-F246 WeakPolarHBondContact OH-CE2 3.26Å; Y240-F246 VanDerWaalsContact OH-CZ 3.23Å; Y240-F246 WeakPolarHBondContact OH-CZ 3.42Å; R244-F246 HydrophobicContact CB-CE1 4.36Å; R244-F246 HydrophobicContact CB-CE2 4.31Å; R244-F246 HydrophobicContact CB-CZ 3.85Å; F246-N271 PolarHBondContact N-OD1 3.35Å; F246-N271 PolarHBondContact O-ND2 3.12Å; F246-P451 HydrophobicContact CD1-CG 4.05Å; F246-P451 HydrophobicContact CD2-CG 4.34Å; F246-P451 VanDerWaalsContact CE1-CA 3.5Å; F246-P451 HydrophobicContact CE1-CB 4.08Å; F246-P451 HydrophobicContact CE1-CG 3.83Å; F246-P451 HydrophobicContact CE2-CG 4.14Å; F246-P451 HydrophobicContact CG-CG 4.3Å; F246-P451 HydrophobicContact CZ-CB 4.09Å; F246-P451 HydrophobicContact CZ-CG 3.85Å | ||
| 247 | I | 98.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | trans | -112.4 | 5.1 | -177.8 | -47.5 | -64.8 | 0 | 0 | 0 | 110.8 | V245 A276 V279 W369 F444 A445 F448 Y449 | V245-I247 HydrophobicContact CG2-CD1 4.05Å; I247-A276 HydrophobicContact CD1-CB 3.87Å; I247-A276 WeakPolarHBondContact CD1-O 3.48Å; I247-V279 HydrophobicContact CG2-CB 4.46Å; I247-V279 HydrophobicContact CG2-CG2 3.93Å; I247-V279 VanDerWaalsContact O-CG1 3.31Å; I247-V279 WeakPolarHBondContact O-CG1 3.33Å; I247-W369 HydrophobicContact CG2-CZ3 4.08Å; I247-F444 HydrophobicContact CD1-CE1 4.48Å; I247-F444 HydrophobicContact CG1-CE1 3.95Å; I247-F444 HydrophobicContact CG2-CD1 4.47Å; I247-A445 HydrophobicContact CB-CB 4.39Å; I247-A445 HydrophobicContact CG2-CB 3.91Å; I247-F448 WeakPolarHBondContact CA-O 3.26Å; I247-F448 WeakPolarHBondContact CB-O 3.5Å; I247-F448 HydrophobicContact CG1-CB 4.04Å; I247-F448 PolarHBondContact N-O 3.46Å; I247-Y449 PolarHBondContact N-O 3.35Å | ||
| 248 | G | 98.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -72.3 | 167.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | H236 Y449 | H236-G248 PolarHBondContact NE2-O 3.39Å; G248-Y449 VanDerWaalsContact CA-O 3.26Å; G248-Y449 WeakPolarHBondContact CA-O 3.4Å; G248-Y449 PolarHBondContact N-O 2.95Å |
| 249 | P | 98.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | P | Polyproline II helix | trans | -76.4 | 151.8 | -178.8 | 30.6 | -32.5 | 0 | 0 | 0 | 112.5 | S251 T283 P358 L362 Y449 | P249-S251 PolarHBondContact O-N 2.95Å; P249-T283 HydrophobicContact CB-CG2 4.01Å; P249-P358 HydrophobicContact CB-CB 4Å; P249-P358 VanDerWaalsContact CB-O 3.26Å; P249-P358 WeakPolarHBondContact CB-O 3.45Å; P249-P358 HydrophobicContact CG-CB 3.63Å; P249-P358 WeakPolarHBondContact CG-O 3.18Å; P249-L362 HydrophobicContact CB-CB 4.02Å; P249-L362 HydrophobicContact CG-CB 4.14Å; P249-Y449 VanDerWaalsContact CD-CE2 3.45Å; P249-Y449 HydrophobicContact CG-CE2 4.39Å |
| 250 | Y | 98.6 | Very high | 94.2 | Very high | 1 Ų | 1 | 45.3 Ų | 45.3 | 0% | 0.004 | 21% | 0.21 | C | C | . | . | P | Polyproline II helix | trans | -53.8 | 124.8 | 166.1 | -169.3 | -103.5 | 0 | 0 | 0 | 110.2 | D233 L235 R253 V266 T283 L284 W287 Y356 | D233-Y250 HydrophobicContact CB-CE2 4.4Å; D233-Y250 VanDerWaalsContact OD2-CE2 3.28Å; D233-Y250 WeakPolarHBondContact OD2-CE2 3.48Å; D233-Y250 PolarHBondContact OD2-OH 2.7Å; L235-Y250 HydrophobicContact CD2-CD2 4.01Å; L235-Y250 HydrophobicContact CD2-CE2 4.44Å; Y250-R253 HydrophobicContact CE1-CB 3.93Å; Y250-R253 HydrophobicContact CE1-CG 4.26Å; Y250-R253 WeakPolarHBondContact OH-CG 3.02Å; Y250-V266 WeakPolarHBondContact OH-CG1 3.37Å; Y250-T283 PolarHBondContact N-OG1 3.36Å; Y250-L284 HydrophobicContact CD1-CD1 4.14Å; Y250-L284 HydrophobicContact CD2-CB 4.39Å; Y250-L284 HydrophobicContact CD2-CD1 4.27Å; Y250-L284 HydrophobicContact CE1-CD1 3.88Å; Y250-L284 HydrophobicContact CE2-CD1 4.03Å; Y250-L284 HydrophobicContact CG-CB 4.29Å; Y250-L284 HydrophobicContact CG-CD1 4.32Å; Y250-W287 HydrophobicContact CD1-CB 4.02Å; Y250-W287 HydrophobicContact CD1-CD2 4.28Å; Y250-W287 AromaticContact CD1-CG 3.89Å; Y250-W287 HydrophobicContact CD1-CG 3.89Å; Y250-W287 HydrophobicContact CE1-CB 4.48Å; Y250-W287 AromaticContact CE1-CD2 3.85Å; Y250-W287 HydrophobicContact CE1-CD2 3.85Å; Y250-W287 HydrophobicContact CE1-CE3 4.21Å; Y250-W287 AromaticContact CE1-CG 3.94Å; Y250-W287 HydrophobicContact CE1-CG 3.94Å; Y250-Y356 WeakPolarHBondContact O-CE1 3.44Å; Y250-Y356 VanDerWaalsContact O-CZ 3.3Å; Y250-Y356 PolarHBondContact O-OH 3.24Å |
| 251 | S | 97.3 | Very high | 94.3 | Very high | 36 Ų | 36 | 43.2 Ų | 43.2 | 25% | 0.252 | 22% | 0.219 | S | C | . | . | trans | -153.5 | 165.3 | -168 | -167.3 | 0 | 0 | 0 | 0 | 112.5 | L235 P249 R253 | L235-S251 WeakPolarHBondContact CD2-O 3.04Å; P249-S251 PolarHBondContact O-N 2.95Å; S251-R253 VanDerWaalsContact C-N 3.29Å; S251-R253 WeakPolarHBondContact O-CD 2.94Å; S251-R253 PolarHBondContact O-N 2.97Å; S251-R253 PolarHBondContact O-NH1 2.95Å | ||
| 252 | G | 96.6 | Very high | 94.7 | Very high | 19 Ų | 19 | 41.5 Ų | 41.5 | 20% | 0.196 | 21% | 0.21 | C | C | . | . | S | Bend | trans | 75.6 | 7.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | R212 I213 | R212-G252 WeakPolarHBondContact CA-O 3.36Å; I213-G252 PolarHBondContact N-O 3.43Å |
| 253 | R | 97.4 | Very high | 95.5 | Very high | 8 Ų | 8 | 34.6 Ų | 34.6 | 3% | 0.03 | 18% | 0.178 | C | C | . | . | trans | -118.8 | 102.2 | 177.5 | -75.4 | 77.3 | 177.8 | 135.7 | -3.7 | 109.3 | S210 K211 I213 L231 D233 Y250 S251 L257 W287 | S210-R253 VanDerWaalsContact O-CZ 3.23Å; S210-R253 PolarHBondContact O-NH1 3.34Å; S210-R253 PolarHBondContact O-NH2 3.2Å; K211-R253 PolarHBondContact O-NH1 3.17Å; I213-R253 HydrophobicContact CB-CG 4.19Å; I213-R253 HydrophobicContact CD1-CG 4.18Å; I213-R253 HydrophobicContact CG1-CG 4.34Å; L231-R253 HydrophobicContact CD2-CG 4.37Å; D233-R253 IonicContact OD1-CZ 3.48Å; D233-R253 IonicContact OD1-NE 3.44Å; D233-R253 IonicContact OD1-NH2 2.67Å; D233-R253 PolarHBondContact OD1-NH2 3.42Å; D233-R253 WeakPolarHBondContact OD2-CD 3.34Å; D233-R253 IonicContact OD2-CZ 2.75Å; D233-R253 IonicContact OD2-NE 3.77Å; D233-R253 PolarHBondContact OD2-NE 3.24Å; D233-R253 IonicContact OD2-NH2 3.59Å; D233-R253 PolarHBondContact OD2-NH2 3.46Å; Y250-R253 HydrophobicContact CE1-CB 3.93Å; Y250-R253 HydrophobicContact CE1-CG 4.26Å; Y250-R253 WeakPolarHBondContact OH-CG 3.02Å; S251-R253 VanDerWaalsContact C-N 3.29Å; S251-R253 WeakPolarHBondContact O-CD 2.94Å; S251-R253 PolarHBondContact O-N 2.97Å; S251-R253 PolarHBondContact O-NH1 2.95Å; R253-L257 HydrophobicContact CB-CD1 3.95Å; R253-L257 HydrophobicContact CG-CD1 4.23Å; R253-W287 HydrophobicContact CB-CZ2 4.43Å; R253-W287 PolarHBondContact O-NE1 3.01Å | ||
| 254 | P | 95.8 | Very high | 96 | Very high | 51 Ų | 51 | 32.4 Ų | 32.4 | 33% | 0.331 | 17% | 0.17 | S | C | . | . | trans | -61.1 | 146.8 | -178.3 | -24.1 | 34.4 | 0 | 0 | 0 | 112.8 | I213 A256 L257 | I213-P254 WeakPolarHBondContact O-CD 3.46Å; P254-A256 HydrophobicContact CB-CB 4.41Å; P254-A256 PolarHBondContact O-N 3.44Å; P254-A256 VanDerWaalsContact O-N 3.1Å; P254-L257 WeakPolarHBondContact O-CB 2.92Å; P254-L257 WeakPolarHBondContact O-CG 3.37Å; P254-L257 PolarHBondContact O-N 3.44Å; P254-L257 VanDerWaalsContact O-N 3.08Å | ||
| 255 | L | 95.7 | Very high | 96.2 | Very high | 18 Ų | 18 | 28.5 Ų | 28.5 | 9% | 0.094 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -24.6 | 176.4 | -61.4 | 176.1 | 0 | 0 | 0 | 112.3 | L257 R258 R259 W287 Q290 A291 | L255-L257 PolarHBondContact O-N 3.3Å; L255-R258 PolarHBondContact O-N 3.04Å; L255-R259 VanDerWaalsContact CD1-NH2 3.3Å; L255-R259 WeakPolarHBondContact O-CB 3.24Å; L255-R259 WeakPolarHBondContact O-CG 3.45Å; L255-R259 PolarHBondContact O-N 2.79Å; L255-W287 HydrophobicContact CD2-CD2 4.46Å; L255-W287 HydrophobicContact CD2-CG 4.09Å; L255-Q290 HydrophobicContact CD1-CB 4.46Å; L255-Q290 HydrophobicContact CD2-CB 4.39Å; L255-A291 HydrophobicContact CB-CB 4.33Å; L255-A291 HydrophobicContact CD2-CB 3.75Å |
| 256 | A | 93.9 | Very high | 96.3 | Very high | 14 Ų | 14 | 28.4 Ų | 28.4 | 12% | 0.116 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -55.8 | -30.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | T215 P254 R258 R259 K260 | T215-A256 HydrophobicContact CG2-CB 4.04Å; P254-A256 HydrophobicContact CB-CB 4.41Å; P254-A256 PolarHBondContact O-N 3.44Å; P254-A256 VanDerWaalsContact O-N 3.1Å; A256-R258 VanDerWaalsContact C-N 3.33Å; A256-R258 PolarHBondContact O-N 3.47Å; A256-R259 PolarHBondContact O-N 3.44Å; A256-K260 HydrophobicContact CB-CD 4.33Å; A256-K260 VanDerWaalsContact O-CB 3.23Å; A256-K260 WeakPolarHBondContact O-CB 3.43Å; A256-K260 WeakPolarHBondContact O-CG 3.3Å; A256-K260 PolarHBondContact O-N 2.66Å |
| 257 | L | 95.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -57.2 | -44.9 | 178.3 | -66.4 | 174.7 | 0 | 0 | 0 | 112 | I213 L218 R253 P254 L255 L262 L263 | I213-L257 HydrophobicContact CB-CD1 4.45Å; I213-L257 HydrophobicContact CG2-CD1 4.21Å; L218-L257 HydrophobicContact CB-CD2 3.84Å; L218-L257 HydrophobicContact CG-CD2 4.08Å; R253-L257 HydrophobicContact CB-CD1 3.95Å; R253-L257 HydrophobicContact CG-CD1 4.23Å; P254-L257 WeakPolarHBondContact O-CB 2.92Å; P254-L257 WeakPolarHBondContact O-CG 3.37Å; P254-L257 PolarHBondContact O-N 3.44Å; P254-L257 VanDerWaalsContact O-N 3.08Å; L255-L257 PolarHBondContact O-N 3.3Å; L257-L262 HydrophobicContact CD2-CD1 4.43Å; L257-L262 WeakPolarHBondContact O-CB 3.43Å; L257-L262 PolarHBondContact O-N 3.5Å; L257-L263 HydrophobicContact CB-CD1 3.85Å; L257-L263 HydrophobicContact CB-CG 4.3Å; L257-L263 HydrophobicContact CD1-CD1 4.35Å; L257-L263 PolarHBondContact O-N 2.87Å |
| 258 | R | 94.6 | Very high | 96.3 | Very high | 55 Ų | 55 | 28.2 Ų | 28.2 | 21% | 0.208 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -86.1 | -40.3 | 175.4 | 166.8 | 171.3 | 172.9 | 177.4 | -1.4 | 112.5 | F14 L255 A256 K260 G261 W287 S288 A291 | F14-R258 HydrophobicContact CD2-CG 4.06Å; F14-R258 HydrophobicContact CE2-CB 3.98Å; F14-R258 HydrophobicContact CE2-CG 3.82Å; F14-R258 HydrophobicContact CZ-CB 4.16Å; F14-R258 HydrophobicContact CZ-CG 4.18Å; L255-R258 PolarHBondContact O-N 3.04Å; A256-R258 VanDerWaalsContact C-N 3.33Å; A256-R258 PolarHBondContact O-N 3.47Å; R258-K260 VanDerWaalsContact C-N 3.28Å; R258-K260 PolarHBondContact O-N 2.88Å; R258-G261 PolarHBondContact O-N 3Å; R258-W287 HydrophobicContact CB-CH2 4.07Å; R258-S288 VanDerWaalsContact CZ-O 3.23Å; R258-S288 PolarHBondContact NH1-O 3.04Å; R258-S288 PolarHBondContact NH1-OG 2.91Å; R258-A291 HydrophobicContact CB-CB 3.88Å; R258-A291 HydrophobicContact CG-CB 3.92Å |
| 259 | R | 92.9 | Very high | 96.3 | Very high | 88 Ų | 88 | 28.4 Ų | 28.4 | 33% | 0.332 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -60.5 | -36.6 | -178.5 | -73.8 | 175.8 | 177.9 | 165.3 | 0.4 | 112.9 | L255 A256 G261 Q290 A291 S354 | L255-R259 VanDerWaalsContact CD1-NH2 3.3Å; L255-R259 WeakPolarHBondContact O-CB 3.24Å; L255-R259 WeakPolarHBondContact O-CG 3.45Å; L255-R259 PolarHBondContact O-N 2.79Å; A256-R259 PolarHBondContact O-N 3.44Å; R259-G261 VanDerWaalsContact C-N 3.29Å; R259-Q290 PolarHBondContact NH2-O 3.28Å; R259-A291 VanDerWaalsContact CG-O 3.26Å; R259-A291 WeakPolarHBondContact CG-O 3.22Å; R259-S354 PolarHBondContact NH2-O 3.2Å |
| 260 | K | 92.7 | Very high | 96.3 | Very high | 151 Ų | 151 | 28.4 Ų | 28.4 | 66% | 0.657 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | 1.7 | 176.6 | -61.8 | -177.6 | 178.6 | 179.7 | 0 | 113.3 | T215 A256 R258 L262 | T215-K260 HydrophobicContact CG2-CD 3.99Å; A256-K260 HydrophobicContact CB-CD 4.33Å; A256-K260 VanDerWaalsContact O-CB 3.23Å; A256-K260 WeakPolarHBondContact O-CB 3.43Å; A256-K260 WeakPolarHBondContact O-CG 3.3Å; A256-K260 PolarHBondContact O-N 2.66Å; R258-K260 VanDerWaalsContact C-N 3.28Å; R258-K260 PolarHBondContact O-N 2.88Å; K260-L262 VanDerWaalsContact C-N 3.31Å; K260-L262 HydrophobicContact CB-CG 4.2Å; K260-L262 PolarHBondContact O-N 2.93Å |
| 261 | G | 92.9 | Very high | 96.3 | Very high | 58 Ų | 58 | 28.4 Ų | 28.4 | 60% | 0.598 | 15% | 0.154 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 69.5 | 22.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | R258 R259 L263 | R258-G261 PolarHBondContact O-N 3Å; R259-G261 VanDerWaalsContact C-N 3.29Å; G261-L263 VanDerWaalsContact C-N 3.29Å |
| 262 | L | 95.7 | Very high | 96.3 | Very high | 23 Ų | 23 | 28 Ų | 28 | 12% | 0.12 | 15% | 0.152 | C | C | . | . | trans | -73.8 | -23.9 | 179.2 | -58.8 | 177.1 | 0 | 0 | 0 | 112.4 | T215 L218 K219 L257 K260 | T215-L262 HydrophobicContact CG2-CD1 3.74Å; L218-L262 HydrophobicContact CB-CD1 4.4Å; K219-L262 HydrophobicContact CB-CD1 4.25Å; K219-L262 HydrophobicContact CB-CD2 4.22Å; K219-L262 HydrophobicContact CG-CD2 4.37Å; L257-L262 HydrophobicContact CD2-CD1 4.43Å; L257-L262 WeakPolarHBondContact O-CB 3.43Å; L257-L262 PolarHBondContact O-N 3.5Å; K260-L262 VanDerWaalsContact C-N 3.31Å; K260-L262 HydrophobicContact CB-CG 4.2Å; K260-L262 PolarHBondContact O-N 2.93Å | ||
| 263 | L | 96.8 | Very high | 96.3 | Very high | 11 Ų | 11 | 29.4 Ų | 29.4 | 6% | 0.058 | 15% | 0.153 | C | C | . | . | trans | -113.7 | 142 | 177.3 | -64 | 178.1 | 0 | 0 | 0 | 111 | F14 L218 I229 L231 L257 G261 V266 | F14-L263 HydrophobicContact CE2-CB 3.95Å; F14-L263 WeakPolarHBondContact CE2-O 3.44Å; F14-L263 HydrophobicContact CZ-CB 4.37Å; L218-L263 HydrophobicContact CD1-CD2 3.87Å; I229-L263 HydrophobicContact CB-CD2 4.19Å; I229-L263 HydrophobicContact CG2-CD2 3.81Å; L231-L263 HydrophobicContact CB-CD1 4.39Å; L231-L263 HydrophobicContact CB-CD2 4.37Å; L257-L263 HydrophobicContact CB-CD1 3.85Å; L257-L263 HydrophobicContact CB-CG 4.3Å; L257-L263 HydrophobicContact CD1-CD1 4.35Å; L257-L263 PolarHBondContact O-N 2.87Å; G261-L263 VanDerWaalsContact C-N 3.29Å; L263-V266 HydrophobicContact CD1-CG2 3.96Å | ||
| 264 | R | 96.2 | Very high | 96.3 | Very high | 58 Ų | 58 | 29.1 Ų | 29.1 | 22% | 0.219 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -88.2 | -24.7 | 168.6 | -170.6 | 69.8 | -169.1 | 119.3 | 36.4 | 112.2 | K12 E13 F14 L15 P228 I229 V230 | K12-R264 VanDerWaalsContact C-NH1 3.34Å; K12-R264 PolarHBondContact O-NH1 3.2Å; K12-R264 PolarHBondContact O-NH2 2.73Å; E13-R264 PolarHBondContact O-NH2 2.97Å; F14-R264 WeakPolarHBondContact CD2-O 3.49Å; L15-R264 PolarHBondContact N-O 3.02Å; L15-R264 VanDerWaalsContact N-O 3.07Å; P228-R264 HydrophobicContact CB-CB 3.85Å; P228-R264 HydrophobicContact CB-CG 3.94Å; I229-R264 WeakPolarHBondContact O-CB 3.12Å; I229-R264 PolarHBondContact O-N 3.42Å; V230-R264 HydrophobicContact CG2-CB 4.07Å; V230-R264 HydrophobicContact CG2-CG 4.36Å |
| 265 | G | 97.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -173.1 | 169.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | L15 L231 | L15-G265 CarbonylContact O-C 3.59Å; L15-G265 WeakPolarHBondContact O-CA 3.42Å; L231-G265 PolarHBondContact N-O 2.85Å |
| 266 | V | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 119.5 | 169.7 | 176.8 | 0 | 0 | 0 | 0 | 108.1 | F14 L15 T16 G17 L231 D233 Y250 L263 L284 W287 | F14-V266 HydrophobicContact CE1-CG2 4.49Å; F14-V266 HydrophobicContact CZ-CG2 4.08Å; L15-V266 PolarHBondContact O-N 3.38Å; T16-V266 WeakPolarHBondContact CA-O 3.34Å; G17-V266 PolarHBondContact N-O 3.39Å; L231-V266 HydrophobicContact CB-CG2 4.09Å; L231-V266 HydrophobicContact CD2-CG1 4.28Å; L231-V266 HydrophobicContact CD2-CG2 4.23Å; L231-V266 WeakPolarHBondContact O-CA 3.44Å; D233-V266 HydrophobicContact CB-CG1 4.41Å; Y250-V266 WeakPolarHBondContact OH-CG1 3.37Å; L263-V266 HydrophobicContact CD1-CG2 3.96Å; V266-L284 HydrophobicContact CB-CD1 4.28Å; V266-L284 HydrophobicContact CG1-CD1 3.71Å; V266-L284 HydrophobicContact CG1-CD2 4.31Å; V266-W287 HydrophobicContact CB-CZ3 4.47Å; V266-W287 HydrophobicContact CG2-CH2 3.89Å; V266-W287 HydrophobicContact CG2-CZ3 3.77Å |
| 267 | L | 98.8 | Very high | 96.6 | Very high | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.01 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 113.5 | 172.6 | -55.2 | 179.7 | 0 | 0 | 0 | 107.4 | G17 V19 A46 L48 L167 V230 L231 W232 D233 | G17-L267 WeakPolarHBondContact O-CA 3.39Å; V19-L267 HydrophobicContact CB-CB 4.24Å; V19-L267 HydrophobicContact CG1-CB 4.18Å; A46-L267 HydrophobicContact CB-CD2 3.8Å; L48-L267 HydrophobicContact CB-CD1 3.94Å; L48-L267 HydrophobicContact CD2-CD1 3.98Å; L167-L267 HydrophobicContact CD1-CD1 4.26Å; V230-L267 HydrophobicContact CG1-CD1 3.98Å; V230-L267 HydrophobicContact CG1-CG 3.94Å; L231-L267 PolarHBondContact O-N 3.28Å; W232-L267 WeakPolarHBondContact CA-O 3.39Å; D233-L267 PolarHBondContact N-O 3.19Å |
| 268 | T | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 133.8 | 177.6 | -173.5 | 0 | 0 | 0 | 0 | 110.4 | G17 V18 V19 P270 F281 L284 | G17-T268 PolarHBondContact O-N 2.93Å; V18-T268 WeakPolarHBondContact CA-O 3.48Å; V18-T268 HydrophobicContact CG2-CG2 4.17Å; V19-T268 WeakPolarHBondContact CG1-O 3.19Å; V19-T268 PolarHBondContact N-O 3.5Å; T268-P270 WeakPolarHBondContact O-CD 3.31Å; T268-F281 HydrophobicContact CG2-CD1 4.12Å; T268-F281 HydrophobicContact CG2-CE1 4.25Å; T268-L284 HydrophobicContact CG2-CD2 3.73Å |
| 269 | N | 98.6 | Very high | 97 | Very high | 4 Ų | 4 | 24.5 Ų | 24.5 | 2% | 0.021 | 12% | 0.124 | C | C | . | . | trans | -97.7 | 104.6 | 165.5 | -172.6 | 32.2 | 0 | 0 | 0 | 107.2 | V19 G21 F22 W232 D233 N234 A237 | V19-N269 HydrophobicContact CG1-CB 3.69Å; V19-N269 PolarHBondContact O-OD1 3.48Å; G21-N269 PolarHBondContact N-OD1 3.19Å; F22-N269 PolarHBondContact N-OD1 3.1Å; W232-N269 VanDerWaalsContact NE1-CB 3.35Å; D233-N269 PolarHBondContact O-N 2.8Å; N234-N269 VanDerWaalsContact OD1-CB 3.24Å; N234-N269 WeakPolarHBondContact OD1-CB 2.93Å; N234-N269 PolarHBondContact OD1-ND2 3.04Å; A237-N269 PolarHBondContact N-O 3.27Å | ||
| 270 | P | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.109 | C | C | . | . | trans | -97.6 | -163.4 | -165.3 | 44.1 | -41.5 | 0 | 0 | 0 | 111.4 | V18 W27 H236 A237 T268 N277 F281 | V18-P270 HydrophobicContact CG1-CG 4.27Å; W27-P270 HydrophobicContact CH2-CG 3.63Å; W27-P270 HydrophobicContact CZ2-CG 3.85Å; H236-P270 CarbonylContact O-C 3.38Å; A237-P270 WeakPolarHBondContact CA-O 3.27Å; T268-P270 WeakPolarHBondContact O-CD 3.31Å; P270-N277 HydrophobicContact CB-CB 4.21Å; P270-N277 WeakPolarHBondContact CB-OD1 3.2Å; P270-F281 HydrophobicContact CB-CE1 3.92Å; P270-F281 HydrophobicContact CB-CZ 4.48Å; P270-F281 HydrophobicContact CG-CE1 3.82Å; P270-F281 HydrophobicContact CG-CZ 4.1Å | ||
| 271 | N | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 8% | 0.078 | C | C | . | . | trans | -63.9 | 154.1 | 175.3 | -49.6 | -89.7 | 0 | 0 | 0 | 110.5 | H236 N238 V245 F246 E273 A276 N277 | H236-N271 PolarHBondContact O-N 3.39Å; H236-N271 PolarHBondContact O-OD1 2.9Å; N238-N271 VanDerWaalsContact OD1-CA 3.23Å; N238-N271 WeakPolarHBondContact OD1-CA 3.44Å; V245-N271 HydrophobicContact CG2-CB 4.47Å; F246-N271 PolarHBondContact N-OD1 3.35Å; F246-N271 PolarHBondContact O-ND2 3.12Å; N271-E273 VanDerWaalsContact C-N 3.31Å; N271-E273 PolarHBondContact O-N 3.22Å; N271-A276 HydrophobicContact CB-CB 4.37Å; N271-N277 WeakPolarHBondContact CA-OD1 3.4Å; N271-N277 WeakPolarHBondContact CB-OD1 3.33Å; N271-N277 PolarHBondContact N-OD1 3.01Å; N271-N277 PolarHBondContact ND2-OD1 3.25Å; N271-N277 PolarHBondContact O-ND2 3.46Å | ||
| 272 | C | 97.2 | Very high | 97.8 | Very high | 29 Ų | 29 | 11.1 Ų | 11.1 | 20% | 0.196 | 5% | 0.053 | C | C | . | . | S | Bend | trans | -61.5 | -41.8 | 174 | -59.8 | 0 | 0 | 0 | 0 | 111 | F22 W27 N238 F274 | F22-C272 HydrophobicContact CD2-CB 4.48Å; W27-C272 PolarHBondContact NE1-O 3.28Å; N238-C272 PolarHBondContact OD1-N 3.48Å; N238-C272 PolarHBondContact OD1-SG 2.87Å; N238-C272 VanDerWaalsContact OD1-SG 3.34Å; C272-F274 PolarHBondContact O-N 3.45Å |
| 273 | E | 96.7 | Very high | 97.9 | Very high | 48 Ų | 48 | 10 Ų | 10 | 22% | 0.224 | 5% | 0.047 | C | C | . | . | S | Bend | trans | -67.9 | 119.2 | 177.4 | -67.6 | 71.9 | -144.4 | 0 | 0 | 111.1 | N238 N271 E275 A276 N277 E520 Y524 | N238-E273 PolarHBondContact ND2-OE2 2.74Å; N271-E273 VanDerWaalsContact C-N 3.31Å; N271-E273 PolarHBondContact O-N 3.22Å; E273-E275 PolarHBondContact O-N 3.15Å; E273-A276 HydrophobicContact CB-CB 3.93Å; E273-A276 PolarHBondContact O-N 3.38Å; E273-N277 PolarHBondContact O-ND2 2.97Å; E273-E520 HydrophobicContact CB-CB 4.19Å; E273-E520 HydrophobicContact CB-CG 4.24Å; E273-E520 WeakPolarHBondContact CB-OE2 3.28Å; E273-E520 HydrophobicContact CG-CB 4.25Å; E273-E520 HydrophobicContact CG-CG 4.33Å; E273-Y524 HydrophobicContact CG-CE2 4.25Å; E273-Y524 PolarHBondContact OE1-OH 2.92Å; E273-Y524 PolarHBondContact OE2-OH 3.5Å |
| 274 | F | 97.7 | Very high | 98 | Very high | 2 Ų | 2 | 9.5 Ų | 9.5 | 1% | 0.009 | 4% | 0.044 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -44.5 | -168.3 | 175.3 | -103.1 | 0 | 0 | 0 | 113.1 | W27 Q31 E34 L35 C272 A276 N277 E520 | W27-F274 HydrophobicContact CD2-CD2 4.06Å; W27-F274 HydrophobicContact CE3-CD2 4.49Å; W27-F274 HydrophobicContact CG-CD2 4.35Å; W27-F274 HydrophobicContact CZ2-CD2 4.46Å; Q31-F274 HydrophobicContact CB-CD1 4.19Å; Q31-F274 HydrophobicContact CB-CD2 3.97Å; Q31-F274 HydrophobicContact CB-CE1 4.4Å; Q31-F274 HydrophobicContact CB-CE2 4.21Å; Q31-F274 HydrophobicContact CB-CG 3.97Å; Q31-F274 HydrophobicContact CB-CZ 4.41Å; Q31-F274 HydrophobicContact CG-CB 4.18Å; Q31-F274 HydrophobicContact CG-CD1 3.92Å; Q31-F274 HydrophobicContact CG-CD2 4.41Å; Q31-F274 HydrophobicContact CG-CE1 4.45Å; Q31-F274 HydrophobicContact CG-CG 3.89Å; Q31-F274 WeakPolarHBondContact O-CE2 3.2Å; Q31-F274 WeakPolarHBondContact O-CZ 3.21Å; E34-F274 HydrophobicContact CB-CE1 4.21Å; E34-F274 HydrophobicContact CB-CZ 4.06Å; E34-F274 HydrophobicContact CG-CE1 3.78Å; E34-F274 HydrophobicContact CG-CZ 3.87Å; L35-F274 HydrophobicContact CB-CE2 3.91Å; L35-F274 HydrophobicContact CB-CZ 4.24Å; L35-F274 HydrophobicContact CD1-CE2 4.38Å; C272-F274 PolarHBondContact O-N 3.45Å; F274-A276 VanDerWaalsContact C-N 3.34Å; F274-N277 WeakPolarHBondContact O-CB 3.34Å; F274-N277 PolarHBondContact O-N 2.92Å; F274-E520 PolarHBondContact N-OE1 3.44Å; F274-E520 PolarHBondContact N-OE2 3.28Å; F274-E520 VanDerWaalsContact N-OE2 3.12Å |
| 275 | E | 96.4 | Very high | 98.1 | Very high | 17 Ų | 17 | 6.8 Ų | 6.8 | 8% | 0.079 | 3% | 0.034 | C | C | . | . | G | 310 helix | trans | -75.1 | -24.1 | -176.9 | -60 | -67.9 | -173.7 | 0 | 0 | 112.8 | R38 E273 N277 W369 S516 I517 E520 | R38-E275 IonicContact CZ-OE2 3.69Å; R38-E275 VanDerWaalsContact CZ-OE2 3.31Å; R38-E275 IonicContact NH1-OE2 2.76Å; R38-E275 PolarHBondContact NH1-OE2 2.89Å; R38-E275 IonicContact NH2-OE1 3.38Å; R38-E275 IonicContact NH2-OE2 3.93Å; R38-E275 PolarHBondContact NH2-OE2 3.16Å; E273-E275 PolarHBondContact O-N 3.15Å; E275-N277 PolarHBondContact O-N 3.33Å; E275-W369 VanDerWaalsContact O-CZ2 3.28Å; E275-W369 WeakPolarHBondContact O-CZ2 3.25Å; E275-S516 PolarHBondContact OE1-OG 2.77Å; E275-I517 HydrophobicContact CB-CB 4.4Å; E275-I517 HydrophobicContact CB-CG1 3.88Å; E275-I517 HydrophobicContact CG-CB 4.49Å; E275-I517 HydrophobicContact CG-CG1 3.76Å; E275-E520 WeakPolarHBondContact CA-OE2 3.04Å; E275-E520 WeakPolarHBondContact CB-OE2 3.45Å; E275-E520 PolarHBondContact N-OE2 3.15Å |
| 276 | A | 97 | Very high | 98.1 | Very high | 0 Ų | 0 | 7.3 Ų | 7.3 | 0% | 0 | 4% | 0.037 | C | C | . | . | G | 310 helix | trans | -62.6 | -19.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | V245 I247 N271 E273 F274 Y278 L521 | V245-A276 HydrophobicContact CG2-CB 3.7Å; I247-A276 HydrophobicContact CD1-CB 3.87Å; I247-A276 WeakPolarHBondContact CD1-O 3.48Å; N271-A276 HydrophobicContact CB-CB 4.37Å; E273-A276 HydrophobicContact CB-CB 3.93Å; E273-A276 PolarHBondContact O-N 3.38Å; F274-A276 VanDerWaalsContact C-N 3.34Å; A276-Y278 PolarHBondContact O-N 2.8Å; A276-L521 HydrophobicContact CB-CD2 4.32Å |
| 277 | N | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 7.3 Ų | 7.3 | 0% | 0 | 4% | 0.037 | C | C | . | . | G | 310 helix | trans | -87.1 | -0.2 | -171.2 | -62.1 | -39 | 0 | 0 | 0 | 115.5 | P270 N271 E273 F274 E275 V279 A280 F281 | P270-N277 HydrophobicContact CB-CB 4.21Å; P270-N277 WeakPolarHBondContact CB-OD1 3.2Å; N271-N277 WeakPolarHBondContact CA-OD1 3.4Å; N271-N277 WeakPolarHBondContact CB-OD1 3.33Å; N271-N277 PolarHBondContact N-OD1 3.01Å; N271-N277 PolarHBondContact ND2-OD1 3.25Å; N271-N277 PolarHBondContact O-ND2 3.46Å; E273-N277 PolarHBondContact O-ND2 2.97Å; F274-N277 WeakPolarHBondContact O-CB 3.34Å; F274-N277 PolarHBondContact O-N 2.92Å; E275-N277 PolarHBondContact O-N 3.33Å; N277-V279 VanDerWaalsContact C-N 3.3Å; N277-V279 PolarHBondContact O-N 3.46Å; N277-A280 PolarHBondContact O-N 3.09Å; N277-A280 VanDerWaalsContact O-N 3.15Å; N277-F281 HydrophobicContact CB-CD1 4.37Å; N277-F281 HydrophobicContact CB-CD2 4.13Å; N277-F281 HydrophobicContact CB-CE1 3.77Å; N277-F281 HydrophobicContact CB-CE2 3.49Å; N277-F281 VanDerWaalsContact CB-CE2 3.49Å; N277-F281 HydrophobicContact CB-CZ 3.29Å; N277-F281 WeakPolarHBondContact O-CD2 3.4Å; N277-F281 VanDerWaalsContact O-CG 3.26Å; N277-F281 WeakPolarHBondContact O-CG 3.42Å; N277-F281 PolarHBondContact O-N 3.37Å |
| 278 | Y | 98.1 | Very high | 97.9 | Very high | 23 Ų | 23 | 7.6 Ų | 7.6 | 9% | 0.09 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -55.7 | -45.2 | -177.2 | -169 | -84.4 | 0 | 0 | 0 | 112.4 | M42 A276 H282 D368 W369 L372 | M42-Y278 HydrophobicContact CE-CD2 4.18Å; M42-Y278 HydrophobicContact CE-CE1 4.25Å; M42-Y278 HydrophobicContact CE-CE2 3.77Å; A276-Y278 PolarHBondContact O-N 2.8Å; Y278-H282 HydrophobicContact CE1-CB 4.47Å; Y278-H282 AromaticContact CE1-CD2 3.89Å; Y278-H282 WeakPolarHBondContact O-CB 3.41Å; Y278-H282 PolarHBondContact O-N 3.02Å; Y278-D368 HydrophobicContact CE1-CB 4.25Å; Y278-W369 HydrophobicContact CD1-CB 3.43Å; Y278-W369 VanDerWaalsContact CD1-CB 3.43Å; Y278-W369 AromaticContact CD1-CD1 3.66Å; Y278-W369 HydrophobicContact CD1-CD2 4.35Å; Y278-W369 AromaticContact CD1-CG 3.54Å; Y278-W369 HydrophobicContact CD1-CG 3.54Å; Y278-W369 AromaticContact CD2-CD1 3.66Å; Y278-W369 HydrophobicContact CD2-CG 4.37Å; Y278-W369 HydrophobicContact CE1-CB 3.59Å; Y278-W369 HydrophobicContact CE1-CG 4.12Å; Y278-W369 HydrophobicContact CG-CB 4.08Å; Y278-W369 AromaticContact CG-CD1 3.33Å; Y278-W369 HydrophobicContact CG-CD2 4.34Å; Y278-W369 AromaticContact CG-CG 3.68Å; Y278-W369 HydrophobicContact CG-CG 3.68Å; Y278-W369 AromaticContact CG-NE1 3.82Å; Y278-L372 HydrophobicContact CE2-CD1 4.11Å |
| 279 | V | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -67.5 | -41.6 | 179.1 | 178.5 | 0 | 0 | 0 | 0 | 111.6 | I247 N277 F281 H282 T283 L362 A365 L366 W369 | I247-V279 HydrophobicContact CG2-CB 4.46Å; I247-V279 HydrophobicContact CG2-CG2 3.93Å; I247-V279 VanDerWaalsContact O-CG1 3.31Å; I247-V279 WeakPolarHBondContact O-CG1 3.33Å; N277-V279 VanDerWaalsContact C-N 3.3Å; N277-V279 PolarHBondContact O-N 3.46Å; V279-F281 PolarHBondContact O-N 3.46Å; V279-H282 PolarHBondContact O-N 2.99Å; V279-T283 HydrophobicContact CG1-CG2 3.92Å; V279-T283 WeakPolarHBondContact O-CB 3.1Å; V279-T283 WeakPolarHBondContact O-CG2 3.32Å; V279-T283 PolarHBondContact O-N 3.25Å; V279-T283 PolarHBondContact O-OG1 3.31Å; V279-L362 HydrophobicContact CG1-CD1 3.55Å; V279-L362 HydrophobicContact CG2-CD1 4.42Å; V279-A365 HydrophobicContact CG1-CB 4.24Å; V279-A365 HydrophobicContact CG2-CB 4.41Å; V279-L366 HydrophobicContact CG2-CD2 3.72Å; V279-W369 HydrophobicContact CG2-CE3 4.24Å |
| 280 | A | 98.5 | Very high | 97.4 | Very high | 1 Ų | 1 | 15.1 Ų | 15.1 | 1% | 0.008 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -58.8 | -48.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | H236 N277 T283 L284 | H236-A280 HydrophobicContact CB-CB 4.1Å; N277-A280 PolarHBondContact O-N 3.09Å; N277-A280 VanDerWaalsContact O-N 3.15Å; A280-T283 PolarHBondContact O-OG1 3.12Å; A280-L284 WeakPolarHBondContact O-CB 3.35Å; A280-L284 PolarHBondContact O-N 2.96Å; A280-L284 VanDerWaalsContact O-N 3.16Å |
| 281 | F | 98.6 | Very high | 96.9 | Very high | 2 Ų | 2 | 15.3 Ų | 15.3 | 1% | 0.009 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -64.9 | -48.2 | 178.2 | -55.6 | -25.1 | 0 | 0 | 0 | 112 | V18 W27 L35 M42 M44 T268 P270 N277 V279 T283 L284 A285 | V18-F281 HydrophobicContact CB-CE1 4.38Å; V18-F281 HydrophobicContact CG1-CE1 3.98Å; V18-F281 HydrophobicContact CG1-CZ 4.27Å; V18-F281 HydrophobicContact CG2-CD1 3.64Å; V18-F281 HydrophobicContact CG2-CE1 3.43Å; V18-F281 VanDerWaalsContact CG2-CE1 3.43Å; V18-F281 HydrophobicContact CG2-CG 4.41Å; V18-F281 HydrophobicContact CG2-CZ 4.05Å; W27-F281 HydrophobicContact CH2-CZ 4.25Å; L35-F281 HydrophobicContact CD1-CD2 4.2Å; L35-F281 HydrophobicContact CD1-CE2 3.58Å; L35-F281 HydrophobicContact CD1-CZ 3.8Å; M42-F281 HydrophobicContact SD-CB 3.85Å; M44-F281 HydrophobicContact SD-CB 4.3Å; T268-F281 HydrophobicContact CG2-CD1 4.12Å; T268-F281 HydrophobicContact CG2-CE1 4.25Å; P270-F281 HydrophobicContact CB-CE1 3.92Å; P270-F281 HydrophobicContact CB-CZ 4.48Å; P270-F281 HydrophobicContact CG-CE1 3.82Å; P270-F281 HydrophobicContact CG-CZ 4.1Å; N277-F281 HydrophobicContact CB-CD1 4.37Å; N277-F281 HydrophobicContact CB-CD2 4.13Å; N277-F281 HydrophobicContact CB-CE1 3.77Å; N277-F281 HydrophobicContact CB-CE2 3.49Å; N277-F281 VanDerWaalsContact CB-CE2 3.49Å; N277-F281 HydrophobicContact CB-CZ 3.29Å; N277-F281 WeakPolarHBondContact O-CD2 3.4Å; N277-F281 VanDerWaalsContact O-CG 3.26Å; N277-F281 WeakPolarHBondContact O-CG 3.42Å; N277-F281 PolarHBondContact O-N 3.37Å; V279-F281 PolarHBondContact O-N 3.46Å; F281-T283 PolarHBondContact O-N 3.48Å; F281-L284 PolarHBondContact O-N 3.4Å; F281-A285 WeakPolarHBondContact O-CB 3.27Å; F281-A285 PolarHBondContact O-N 2.82Å |
| 282 | H | 98.4 | Very high | 96.2 | Very high | 13 Ų | 13 | 16.8 Ų | 16.8 | 6% | 0.06 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -64.4 | -45 | -174.8 | -169.5 | -61.9 | 0 | 0 | 0 | 112 | M42 Y278 V279 A285 Q286 A365 D368 | M42-H282 HydrophobicContact CE-CB 3.98Å; M42-H282 HydrophobicContact SD-CB 4.08Å; Y278-H282 HydrophobicContact CE1-CB 4.47Å; Y278-H282 AromaticContact CE1-CD2 3.89Å; Y278-H282 WeakPolarHBondContact O-CB 3.41Å; Y278-H282 PolarHBondContact O-N 3.02Å; V279-H282 PolarHBondContact O-N 2.99Å; H282-A285 WeakPolarHBondContact O-CB 3.34Å; H282-A285 PolarHBondContact O-N 3.21Å; H282-Q286 PolarHBondContact CE1-NE2 2.98Å; H282-Q286 PolarHBondContact ND1-NE2 3.43Å; H282-Q286 WeakPolarHBondContact O-CG 3.23Å; H282-Q286 PolarHBondContact O-N 3.36Å; H282-A365 HydrophobicContact CB-CB 3.88Å; H282-D368 IonicContact CD2-OD2 3.46Å; H282-D368 IonicContact CE1-OD2 3.79Å; H282-D368 IonicContact NE2-OD2 2.66Å; H282-D368 PolarHBondContact NE2-OD2 3.06Å |
| 283 | T | 98.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -72.3 | -34.9 | -179 | 58.5 | 0 | 0 | 0 | 0 | 112.7 | P249 Y250 V279 A280 F281 Q286 W287 A361 A365 | P249-T283 HydrophobicContact CB-CG2 4.01Å; Y250-T283 PolarHBondContact N-OG1 3.36Å; V279-T283 HydrophobicContact CG1-CG2 3.92Å; V279-T283 WeakPolarHBondContact O-CB 3.1Å; V279-T283 WeakPolarHBondContact O-CG2 3.32Å; V279-T283 PolarHBondContact O-N 3.25Å; V279-T283 PolarHBondContact O-OG1 3.31Å; A280-T283 PolarHBondContact O-OG1 3.12Å; F281-T283 PolarHBondContact O-N 3.48Å; T283-Q286 PolarHBondContact O-N 3.46Å; T283-W287 PolarHBondContact O-N 2.89Å; T283-A361 HydrophobicContact CG2-CB 4.07Å; T283-A365 HydrophobicContact CG2-CB 3.95Å |
| 284 | L | 98.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -61.2 | -43.9 | 168.8 | 173 | 60.2 | 0 | 0 | 0 | 111.4 | T16 M44 Y250 V266 T268 A280 F281 Q286 W287 S288 | T16-L284 HydrophobicContact CG2-CD2 4.44Å; T16-L284 HydrophobicContact CG2-CG 4.13Å; M44-L284 HydrophobicContact CE-CD2 3.83Å; M44-L284 HydrophobicContact CE-CG 4.49Å; Y250-L284 HydrophobicContact CD1-CD1 4.14Å; Y250-L284 HydrophobicContact CD2-CB 4.39Å; Y250-L284 HydrophobicContact CD2-CD1 4.27Å; Y250-L284 HydrophobicContact CE1-CD1 3.88Å; Y250-L284 HydrophobicContact CE2-CD1 4.03Å; Y250-L284 HydrophobicContact CG-CB 4.29Å; Y250-L284 HydrophobicContact CG-CD1 4.32Å; V266-L284 HydrophobicContact CB-CD1 4.28Å; V266-L284 HydrophobicContact CG1-CD1 3.71Å; V266-L284 HydrophobicContact CG1-CD2 4.31Å; T268-L284 HydrophobicContact CG2-CD2 3.73Å; A280-L284 WeakPolarHBondContact O-CB 3.35Å; A280-L284 PolarHBondContact O-N 2.96Å; A280-L284 VanDerWaalsContact O-N 3.16Å; F281-L284 PolarHBondContact O-N 3.4Å; L284-Q286 VanDerWaalsContact C-N 3.35Å; L284-Q286 PolarHBondContact O-N 3.49Å; L284-W287 HydrophobicContact CD1-CE3 4.01Å; L284-W287 WeakPolarHBondContact O-CB 3.46Å; L284-W287 PolarHBondContact O-N 3.39Å; L284-S288 VanDerWaalsContact O-CB 3.27Å; L284-S288 WeakPolarHBondContact O-CB 3.39Å; L284-S288 PolarHBondContact O-N 2.76Å |
| 285 | A | 98 | Very high | 90.9 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.008 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.7 | -40 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | M42 M44 F281 H282 S288 R289 | M42-A285 HydrophobicContact CB-CB 3.8Å; M42-A285 WeakPolarHBondContact O-CB 3.05Å; M44-A285 HydrophobicContact CG-CB 3.96Å; M44-A285 HydrophobicContact SD-CB 4.15Å; F281-A285 WeakPolarHBondContact O-CB 3.27Å; F281-A285 PolarHBondContact O-N 2.82Å; H282-A285 WeakPolarHBondContact O-CB 3.34Å; H282-A285 PolarHBondContact O-N 3.21Å; A285-S288 PolarHBondContact O-N 3.28Å; A285-R289 WeakPolarHBondContact O-CG 3.49Å; A285-R289 PolarHBondContact O-N 3.02Å |
| 286 | Q | 97.5 | Very high | 87.8 | Confident | 11 Ų | 11 | 36.2 Ų | 36.2 | 5% | 0.051 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.8 | -49.1 | 171.8 | -72.5 | -176.9 | 66.9 | 0 | 0 | 112 | H282 T283 L284 S288 R289 Q290 Y356 A361 | H282-Q286 PolarHBondContact CE1-NE2 2.98Å; H282-Q286 PolarHBondContact ND1-NE2 3.43Å; H282-Q286 WeakPolarHBondContact O-CG 3.23Å; H282-Q286 PolarHBondContact O-N 3.36Å; T283-Q286 PolarHBondContact O-N 3.46Å; L284-Q286 VanDerWaalsContact C-N 3.35Å; L284-Q286 PolarHBondContact O-N 3.49Å; Q286-S288 VanDerWaalsContact C-N 3.32Å; Q286-S288 PolarHBondContact O-N 3.45Å; Q286-R289 PolarHBondContact O-N 3.1Å; Q286-Q290 WeakPolarHBondContact O-CG 3.41Å; Q286-Q290 PolarHBondContact O-N 3.34Å; Q286-Q290 VanDerWaalsContact O-N 3.12Å; Q286-Y356 HydrophobicContact CB-CE2 4.23Å; Q286-A361 PolarHBondContact NE2-O 2.95Å |
| 287 | W | 97.6 | Very high | 84.8 | Confident | 1 Ų | 1 | 43.3 Ų | 43.3 | 0% | 0.004 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -56.3 | -47 | 176.2 | 174.4 | 93.6 | 0 | 0 | 0 | 111.5 | F14 Y250 R253 L255 R258 V266 T283 L284 Q290 A291 Y356 | F14-W287 HydrophobicContact CE1-CZ3 4.47Å; F14-W287 HydrophobicContact CZ-CZ3 4.37Å; Y250-W287 HydrophobicContact CD1-CB 4.02Å; Y250-W287 HydrophobicContact CD1-CD2 4.28Å; Y250-W287 AromaticContact CD1-CG 3.89Å; Y250-W287 HydrophobicContact CD1-CG 3.89Å; Y250-W287 HydrophobicContact CE1-CB 4.48Å; Y250-W287 AromaticContact CE1-CD2 3.85Å; Y250-W287 HydrophobicContact CE1-CD2 3.85Å; Y250-W287 HydrophobicContact CE1-CE3 4.21Å; Y250-W287 AromaticContact CE1-CG 3.94Å; Y250-W287 HydrophobicContact CE1-CG 3.94Å; R253-W287 HydrophobicContact CB-CZ2 4.43Å; R253-W287 PolarHBondContact O-NE1 3.01Å; L255-W287 HydrophobicContact CD2-CD2 4.46Å; L255-W287 HydrophobicContact CD2-CG 4.09Å; R258-W287 HydrophobicContact CB-CH2 4.07Å; V266-W287 HydrophobicContact CB-CZ3 4.47Å; V266-W287 HydrophobicContact CG2-CH2 3.89Å; V266-W287 HydrophobicContact CG2-CZ3 3.77Å; T283-W287 PolarHBondContact O-N 2.89Å; L284-W287 HydrophobicContact CD1-CE3 4.01Å; L284-W287 WeakPolarHBondContact O-CB 3.46Å; L284-W287 PolarHBondContact O-N 3.39Å; W287-Q290 PolarHBondContact O-N 2.84Å; W287-A291 WeakPolarHBondContact O-CB 3.31Å; W287-A291 PolarHBondContact O-N 2.77Å; W287-Y356 HydrophobicContact CB-CD2 3.98Å; W287-Y356 HydrophobicContact CB-CE1 4.43Å; W287-Y356 HydrophobicContact CB-CE2 3.79Å; W287-Y356 HydrophobicContact CB-CG 4.39Å; W287-Y356 AromaticContact CD1-CD1 3.85Å |
| 288 | S | 95.8 | Very high | 81.4 | Confident | 7 Ų | 7 | 51.9 Ų | 51.9 | 5% | 0.049 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59 | -50.7 | -180 | 174 | 0 | 0 | 0 | 0 | 111.6 | T16 R258 L284 A285 Q286 Q290 A291 G292 | T16-S288 WeakPolarHBondContact CG2-OG 3.49Å; T16-S288 PolarHBondContact OG1-OG 3.47Å; R258-S288 VanDerWaalsContact CZ-O 3.23Å; R258-S288 PolarHBondContact NH1-O 3.04Å; R258-S288 PolarHBondContact NH1-OG 2.91Å; L284-S288 VanDerWaalsContact O-CB 3.27Å; L284-S288 WeakPolarHBondContact O-CB 3.39Å; L284-S288 PolarHBondContact O-N 2.76Å; A285-S288 PolarHBondContact O-N 3.28Å; Q286-S288 VanDerWaalsContact C-N 3.32Å; Q286-S288 PolarHBondContact O-N 3.45Å; S288-Q290 PolarHBondContact O-N 2.97Å; S288-A291 PolarHBondContact O-N 3.21Å; S288-G292 PolarHBondContact O-N 2.87Å |
| 289 | R | 93.9 | Very high | 78.3 | Confident | 119 Ų | 119 | 55.4 Ų | 55.4 | 45% | 0.449 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60 | -44.6 | 178 | -70.6 | -171.2 | -58 | -91.2 | 2.7 | 112.3 | M42 A285 Q286 A291 G292 S293 | M42-R289 PolarHBondContact O-NH1 3.46Å; A285-R289 WeakPolarHBondContact O-CG 3.49Å; A285-R289 PolarHBondContact O-N 3.02Å; Q286-R289 PolarHBondContact O-N 3.1Å; R289-A291 VanDerWaalsContact C-N 3.34Å; R289-A291 PolarHBondContact O-N 2.99Å; R289-G292 PolarHBondContact O-N 3.32Å; R289-S293 PolarHBondContact O-N 3.22Å; R289-S293 PolarHBondContact O-OG 2.85Å |
| 290 | Q | 92.7 | Very high | 75.1 | Confident | 43 Ų | 43 | 62 Ų | 62 | 20% | 0.201 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -69.7 | -30.2 | -179.2 | -66.4 | -177.2 | 15.5 | 0 | 0 | 113.4 | L255 R259 Q286 W287 S288 S354 V355 Y356 | L255-Q290 HydrophobicContact CD1-CB 4.46Å; L255-Q290 HydrophobicContact CD2-CB 4.39Å; R259-Q290 PolarHBondContact NH2-O 3.28Å; Q286-Q290 WeakPolarHBondContact O-CG 3.41Å; Q286-Q290 PolarHBondContact O-N 3.34Å; Q286-Q290 VanDerWaalsContact O-N 3.12Å; W287-Q290 PolarHBondContact O-N 2.84Å; S288-Q290 PolarHBondContact O-N 2.97Å; Q290-S354 WeakPolarHBondContact CG-OG 3.21Å; Q290-V355 VanDerWaalsContact OE1-C 3.27Å; Q290-V355 PolarHBondContact OE1-O 3.1Å; Q290-Y356 VanDerWaalsContact OE1-N 3.08Å |
| 291 | A | 88.4 | Confident | 71.9 | Confident | 4 Ų | 4 | 69.4 Ų | 69.4 | 3% | 0.033 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -75.6 | -25.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113 | L255 R258 R259 W287 S288 R289 | L255-A291 HydrophobicContact CB-CB 4.33Å; L255-A291 HydrophobicContact CD2-CB 3.75Å; R258-A291 HydrophobicContact CB-CB 3.88Å; R258-A291 HydrophobicContact CG-CB 3.92Å; R259-A291 VanDerWaalsContact CG-O 3.26Å; R259-A291 WeakPolarHBondContact CG-O 3.22Å; W287-A291 WeakPolarHBondContact O-CB 3.31Å; W287-A291 PolarHBondContact O-N 2.77Å; S288-A291 PolarHBondContact O-N 3.21Å; R289-A291 VanDerWaalsContact C-N 3.34Å; R289-A291 PolarHBondContact O-N 2.99Å |
| 292 | G | 83.9 | Confident | 68.8 | Low | 31 Ų | 31 | 75.8 Ų | 75.8 | 32% | 0.32 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -76.6 | -23.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | S288 R289 K294 | S288-G292 PolarHBondContact O-N 2.87Å; R289-G292 PolarHBondContact O-N 3.32Å; G292-K294 PolarHBondContact O-N 2.99Å |
| 293 | S | 75.1 | Confident | 65.5 | Low | 63 Ų | 63 | 84 Ų | 84 | 44% | 0.441 | 44% | 0.442 | S | S | . | . | trans | -68.3 | 95.5 | -179.8 | -64.2 | 0 | 0 | 0 | 0 | 111.9 | R289 H295 | R289-S293 PolarHBondContact O-N 3.22Å; R289-S293 PolarHBondContact O-OG 2.85Å; S293-H295 PolarHBondContact O-N 2.98Å | ||
| 294 | K | 56.8 | Low | 62.1 | Low | 173 Ų | 173 | 92.8 Ų | 92.8 | 75% | 0.752 | 49% | 0.486 | S | S | * | . | trans | -73.9 | 98.9 | 169.3 | -68.1 | -175.1 | -179.3 | -177.6 | 0 | 109.4 | G292 I296 | G292-K294 PolarHBondContact O-N 2.99Å; K294-I296 PolarHBondContact O-N 3.3Å | ||
| 295 | H | 47.4 | Very low | 58.7 | Low | 122 Ų | 122 | 100.4 Ų | 100.4 | 57% | 0.565 | 53% | 0.526 | S | S | * | . | trans | -72 | 110.8 | 163.3 | -87.3 | -78.9 | 0 | 0 | 0 | 108.6 | S293 I297 | S293-H295 PolarHBondContact O-N 2.98Å; H295-I297 PolarHBondContact O-N 3.16Å; H295-I297 VanDerWaalsContact O-N 3.14Å | ||
| 296 | I | 32.5 | Very low | 55.3 | Low | 146 Ų | 146 | 106.4 Ų | 106.4 | 75% | 0.749 | 57% | 0.566 | S | S | * | * | trans | -70.3 | 102.4 | 168.9 | -59.9 | 172.4 | 0 | 0 | 0 | 106.7 | K294 Q298 | K294-I296 PolarHBondContact O-N 3.3Å; I296-Q298 HydrophobicContact CG2-CG 3.9Å; I296-Q298 PolarHBondContact O-N 2.9Å | ||
| 297 | I | 33.5 | Very low | 51.9 | Low | 149 Ų | 149 | 112.6 Ų | 112.6 | 76% | 0.764 | 61% | 0.605 | S | S | * | * | trans | -80.6 | 99.7 | 158.9 | -60.6 | 176.2 | 0 | 0 | 0 | 105.3 | H295 S299 | H295-I297 PolarHBondContact O-N 3.16Å; H295-I297 VanDerWaalsContact O-N 3.14Å; I297-S299 VanDerWaalsContact C-N 3.34Å; I297-S299 PolarHBondContact O-N 3.48Å; I297-S299 VanDerWaalsContact O-N 3.12Å | ||
| 298 | Q | 27.6 | Very low | 48.6 | Very low | 181 Ų | 181 | 117.9 Ų | 117.9 | 85% | 0.846 | 64% | 0.642 | S | S | * | * | trans | -71.4 | 94 | 162.8 | -87.6 | 174.6 | -15.9 | 0 | 0 | 107.5 | I296 | I296-Q298 HydrophobicContact CG2-CG 3.9Å; I296-Q298 PolarHBondContact O-N 2.9Å | ||
| 299 | S | 32 | Very low | 45.4 | Very low | 97 Ų | 97 | 126 Ų | 126 | 68% | 0.678 | 68% | 0.679 | S | S | * | * | trans | -91.2 | 108 | 158.3 | 43.1 | 0 | 0 | 0 | 0 | 107.4 | I297 | I297-S299 VanDerWaalsContact C-N 3.34Å; I297-S299 PolarHBondContact O-N 3.48Å; I297-S299 VanDerWaalsContact O-N 3.12Å | ||
| 300 | T | 32.8 | Very low | 42.2 | Very low | 137 Ų | 137 | 126.9 Ų | 126.9 | 84% | 0.84 | 69% | 0.693 | S | S | * | * | trans | -55.3 | 130.6 | 171.1 | 24.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 301 | D | 30.2 | Very low | 39.1 | Very low | 157 Ų | 157 | 134.4 Ų | 134.4 | 84% | 0.84 | 73% | 0.725 | S | S | * | * | trans | -55.2 | 128.3 | 171.9 | -57 | -56.6 | 0 | 0 | 0 | 112 | ||||
| 302 | T | 33.3 | Very low | 36.3 | Very low | 136 Ų | 136 | 143.7 Ų | 143.7 | 83% | 0.834 | 77% | 0.768 | S | S | * | * | trans | -147.2 | 109.8 | 141.8 | -42.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 303 | E | 29.3 | Very low | 33.6 | Very low | 185 Ų | 185 | 147.3 Ų | 147.3 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | trans | -58.1 | 130.2 | 169.6 | -64.4 | 175.6 | 145.4 | 0 | 0 | 110.6 | ||||
| 304 | M | 28.2 | Very low | 31.3 | Very low | 185 Ų | 185 | 152.5 Ų | 152.5 | 91% | 0.911 | 81% | 0.811 | S | S | * | * | trans | -149.9 | 113.7 | 147.5 | -152 | 175 | -139.3 | 0 | 0 | 109.5 | C306 | M304-C306 PolarHBondContact O-N 3.05Š| ||
| 305 | L | 27.1 | Very low | 29.9 | Very low | 161 Ų | 161 | 148.6 Ų | 148.6 | 84% | 0.843 | 81% | 0.811 | S | S | * | * | trans | -53.7 | 129.3 | 168.6 | -82.3 | 88.6 | 0 | 0 | 0 | 110.3 | ||||
| 306 | C | 26.3 | Very low | 29 | Very low | 126 Ų | 126 | 147.8 Ų | 147.8 | 85% | 0.851 | 82% | 0.819 | S | S | * | * | trans | -155.6 | 120.1 | 143.9 | -102.9 | 0 | 0 | 0 | 0 | 109.6 | M304 | M304-C306 PolarHBondContact O-N 3.05Š| ||
| 307 | T | 25 | Very low | 28.9 | Very low | 141 Ų | 141 | 146.4 Ų | 146.4 | 87% | 0.865 | 81% | 0.814 | S | S | * | * | trans | -64.8 | 121.1 | 170.9 | 47.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 308 | S | 28.8 | Very low | 28.7 | Very low | 112 Ų | 112 | 146 Ų | 146 | 78% | 0.783 | 81% | 0.813 | S | S | * | * | trans | -165.3 | 125.7 | 150.2 | 50.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 309 | E | 28.1 | Very low | 29.1 | Very low | 177 Ų | 177 | 143 Ų | 143 | 83% | 0.827 | 80% | 0.803 | S | S | * | * | trans | -55.5 | 155.5 | 168.8 | -63.5 | 165.8 | 151.8 | 0 | 0 | 110.6 | ||||
| 310 | D | 27.4 | Very low | 28.9 | Very low | 139 Ų | 139 | 145 Ų | 145 | 74% | 0.743 | 80% | 0.801 | S | S | * | * | trans | 85.8 | 131.6 | 165.8 | -49.8 | -33.7 | 0 | 0 | 0 | 118.6 | ||||
| 311 | F | 27.3 | Very low | 29.2 | Very low | 200 Ų | 200 | 143.3 Ų | 143.3 | 88% | 0.877 | 79% | 0.79 | S | S | * | * | trans | 85.7 | 72.1 | 170.5 | -61.4 | -87.3 | 0 | 0 | 0 | 118.6 | ||||
| 312 | E | 29.4 | Very low | 29.2 | Very low | 199 Ų | 199 | 141.6 Ų | 141.6 | 93% | 0.93 | 78% | 0.78 | S | S | * | * | trans | -87.1 | 103.8 | 146.1 | -87.2 | -170.3 | 161.5 | 0 | 0 | 109.4 | ||||
| 313 | S | 27.5 | Very low | 29.2 | Very low | 108 Ų | 108 | 141.6 Ų | 141.6 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | trans | -73.7 | 136.5 | 172.9 | 46 | 0 | 0 | 0 | 0 | 111 | A315 | S313-A315 PolarHBondContact O-N 3.48Å; S313-A315 VanDerWaalsContact O-N 3.14Å | ||
| 314 | N | 25.9 | Very low | 29.2 | Very low | 172 Ų | 172 | 139.9 Ų | 139.9 | 92% | 0.92 | 77% | 0.772 | S | S | * | * | trans | -49.5 | 108.2 | -178.9 | -64.2 | -37.1 | 0 | 0 | 0 | 113.5 | ||||
| 315 | A | 28.1 | Very low | 29.2 | Very low | 91 Ų | 91 | 134.2 Ų | 134.2 | 75% | 0.752 | 76% | 0.76 | S | S | * | * | trans | -146.6 | 85.9 | 160.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | S313 | S313-A315 PolarHBondContact O-N 3.48Å; S313-A315 VanDerWaalsContact O-N 3.14Å | ||
| 316 | S | 28 | Very low | 29.5 | Very low | 104 Ų | 104 | 134.1 Ų | 134.1 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -176.8 | 119.2 | 156.6 | 34.2 | 0 | 0 | 0 | 0 | 114 | D318 | S316-D318 PolarHBondContact O-N 2.94Å; S316-D318 VanDerWaalsContact O-N 3.11Å |
| 317 | D | 31.9 | Very low | 29.7 | Very low | 118 Ų | 118 | 134.8 Ų | 134.8 | 63% | 0.631 | 75% | 0.754 | S | S | * | * | trans | 61.6 | 27.2 | 134.6 | -119.9 | 14.8 | 0 | 0 | 0 | 120.1 | ||||
| 318 | D | 28.7 | Very low | 30.2 | Very low | 139 Ų | 139 | 134.9 Ų | 134.9 | 74% | 0.743 | 75% | 0.749 | S | S | * | * | trans | -100.5 | 90 | 169.5 | -67.3 | -30.6 | 0 | 0 | 0 | 110.9 | S316 E320 | S316-D318 PolarHBondContact O-N 2.94Å; S316-D318 VanDerWaalsContact O-N 3.11Å; D318-E320 PolarHBondContact O-N 2.89Å; D318-E320 VanDerWaalsContact O-N 3.11Å | ||
| 319 | N | 34.8 | Very low | 30.3 | Very low | 119 Ų | 119 | 137.9 Ų | 137.9 | 64% | 0.636 | 75% | 0.751 | S | S | * | * | trans | -80.9 | 67.4 | 156.9 | -78.9 | -52.4 | 0 | 0 | 0 | 108.5 | V321 | N319-V321 VanDerWaalsContact C-N 3.3Å; N319-V321 PolarHBondContact O-N 3.47Å; N319-V321 VanDerWaalsContact O-N 3.17Å | ||
| 320 | E | 29.8 | Very low | 30.6 | Very low | 139 Ų | 139 | 139.1 Ų | 139.1 | 65% | 0.65 | 75% | 0.754 | S | S | * | * | trans | -74.5 | 89.6 | 157.3 | -72.7 | -165 | 156.5 | 0 | 0 | 107.7 | D318 I322 | D318-E320 PolarHBondContact O-N 2.89Å; D318-E320 VanDerWaalsContact O-N 3.11Å; E320-I322 HydrophobicContact CB-CG1 4.5Å; E320-I322 PolarHBondContact O-N 2.8Å; E320-I322 VanDerWaalsContact O-N 3.09Å | ||
| 321 | V | 37.2 | Very low | 30.7 | Very low | 101 Ų | 101 | 137.5 Ų | 137.5 | 61% | 0.612 | 75% | 0.753 | S | S | * | * | trans | -73.4 | 95.3 | 155.5 | -177.6 | 0 | 0 | 0 | 0 | 105.6 | R212 N319 | R212-V321 PolarHBondContact NH2-O 2.81Å; N319-V321 VanDerWaalsContact C-N 3.3Å; N319-V321 PolarHBondContact O-N 3.47Å; N319-V321 VanDerWaalsContact O-N 3.17Å | ||
| 322 | I | 31.4 | Very low | 30.9 | Very low | 122 Ų | 122 | 134.2 Ų | 134.2 | 63% | 0.626 | 75% | 0.749 | S | S | * | * | trans | -69.5 | 112.3 | 156.8 | -61.1 | 172.2 | 0 | 0 | 0 | 104.9 | E320 D324 | E320-I322 HydrophobicContact CB-CG1 4.5Å; E320-I322 PolarHBondContact O-N 2.8Å; E320-I322 VanDerWaalsContact O-N 3.09Å; I322-D324 HydrophobicContact CG2-CB 4.11Å | ||
| 323 | D | 32 | Very low | 30.9 | Very low | 136 Ų | 136 | 132 Ų | 132 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | trans | -105.2 | 82.6 | 167.1 | -175.6 | 30.9 | 0 | 0 | 0 | 105.5 | ||||
| 324 | D | 31.3 | Very low | 31.4 | Very low | 149 Ų | 149 | 134.7 Ų | 134.7 | 80% | 0.797 | 75% | 0.748 | S | S | * | * | trans | -118.5 | 98.8 | 163.9 | -80.4 | -30 | 0 | 0 | 0 | 105.7 | I322 | I322-D324 HydrophobicContact CG2-CB 4.11Š| ||
| 325 | G | 28.2 | Very low | 31.6 | Very low | 65 Ų | 65 | 133.6 Ų | 133.6 | 67% | 0.67 | 74% | 0.742 | S | S | * | * | trans | -94.3 | 111 | 169 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 326 | I | 31.7 | Very low | 32 | Very low | 160 Ų | 160 | 138 Ų | 138 | 82% | 0.821 | 75% | 0.747 | S | S | * | * | trans | 178.2 | 103.2 | 146.7 | -81.6 | 143.6 | 0 | 0 | 0 | 105.1 | ||||
| 327 | D | 31.8 | Very low | 32.2 | Very low | 139 Ų | 139 | 141.7 Ų | 141.7 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | 167.1 | 150.5 | 104.2 | -136.1 | -13.1 | 0 | 0 | 0 | 113.4 | |||||
| 328 | D | 35.9 | Very low | 32.4 | Very low | 143 Ų | 143 | 141.7 Ų | 141.7 | 77% | 0.765 | 76% | 0.759 | S | S | * | * | trans | 86 | 117.8 | 153.2 | -81.7 | -31.1 | 0 | 0 | 0 | 124.9 | ||||
| 329 | Q | 30.5 | Very low | 32.7 | Very low | 175 Ų | 175 | 140.5 Ų | 140.5 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | trans | -70.6 | 142.3 | 167.4 | -66.9 | 156.2 | -5.3 | 0 | 0 | 111.9 | ||||
| 330 | K | 33.7 | Very low | 32.5 | Very low | 204 Ų | 204 | 140.8 Ų | 140.8 | 89% | 0.887 | 77% | 0.768 | S | S | * | * | -177.1 | 128.4 | 120.7 | -100.2 | 162.4 | -174.4 | 169.2 | 0 | 113.4 | |||||
| 331 | S | 28.7 | Very low | 32.7 | Very low | 105 Ų | 105 | 140.4 Ų | 140.4 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | trans | -36.5 | 149.5 | 164.1 | 53.6 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 332 | V | 32.8 | Very low | 32.4 | Very low | 131 Ų | 131 | 143.8 Ų | 143.8 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | -177.2 | 127.8 | 108.1 | 163.2 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 333 | D | 30.1 | Very low | 32.4 | Very low | 151 Ų | 151 | 145 Ų | 145 | 81% | 0.807 | 80% | 0.795 | S | S | * | * | trans | -58.4 | 148.8 | 170.9 | -66 | -60 | 0 | 0 | 0 | 113.3 | ||||
| 334 | I | 37.2 | Very low | 32.3 | Very low | 165 Ų | 165 | 145.8 Ų | 145.8 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | trans | -158.4 | 119 | 136.1 | -87.4 | 137 | 0 | 0 | 0 | 108.4 | ||||
| 335 | N | 30 | Very low | 32.3 | Very low | 149 Ų | 149 | 144.2 Ų | 144.2 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | trans | -62.5 | 145.1 | 162.5 | -83.1 | -41.4 | 0 | 0 | 0 | 110.9 | ||||
| 336 | E | 35.5 | Very low | 32.3 | Very low | 184 Ų | 184 | 146.7 Ų | 146.7 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | 179.1 | 122.9 | 118.6 | -97.2 | 175.8 | -170.6 | 0 | 0 | 114.1 | |||||
| 337 | H | 33.5 | Very low | 32.2 | Very low | 181 Ų | 181 | 147 Ų | 147 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | trans | 19.4 | 148.4 | 153.4 | -74.1 | -73 | 0 | 0 | 0 | 126.2 | ||||
| 338 | P | 36 | Very low | 32 | Very low | 119 Ų | 119 | 151.1 Ų | 151.1 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | trans | -98.3 | 152 | -171.3 | 39.3 | -31.7 | 0 | 0 | 0 | 113.9 | ||||
| 339 | S | 34.6 | Very low | 31.8 | Very low | 113 Ų | 113 | 154.1 Ų | 154.1 | 79% | 0.79 | 82% | 0.815 | S | S | * | * | trans | -145.1 | 110.9 | 161.6 | 73 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 340 | V | 30.5 | Very low | 31.9 | Very low | 126 Ų | 126 | 154.9 Ų | 154.9 | 76% | 0.764 | 81% | 0.811 | S | S | * | * | trans | 11.3 | 121.7 | 137.2 | -173.3 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 341 | C | 33.5 | Very low | 31.9 | Very low | 131 Ų | 131 | 153.5 Ų | 153.5 | 89% | 0.885 | 81% | 0.807 | S | S | * | * | trans | -149.9 | 117 | 131 | -91.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 342 | Q | 31.6 | Very low | 32.5 | Very low | 172 Ų | 172 | 157 Ų | 157 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | -70.1 | 141.3 | 162.4 | -74.6 | 169 | -52.5 | 0 | 0 | 108.8 | ||||
| 343 | D | 32.1 | Very low | 33.5 | Very low | 147 Ų | 147 | 153.9 Ų | 153.9 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | -177.5 | 119.9 | 128.9 | -90.9 | -14.8 | 0 | 0 | 0 | 111.3 | |||||
| 344 | D | 28.9 | Very low | 35.3 | Very low | 152 Ų | 152 | 148.7 Ų | 148.7 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | trans | 42.5 | 94 | 137.2 | -64.5 | -19 | 0 | 0 | 0 | 120.5 | ||||
| 345 | C | 30.7 | Very low | 37.6 | Very low | 116 Ų | 116 | 143 Ų | 143 | 78% | 0.784 | 74% | 0.742 | S | S | * | * | trans | -162.5 | 99.6 | 133.5 | -148.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 346 | V | 29.4 | Very low | 40.7 | Very low | 117 Ų | 117 | 137 Ų | 137 | 71% | 0.709 | 71% | 0.709 | S | S | * | * | 36.4 | 110 | 128.4 | -169.7 | 0 | 0 | 0 | 0 | 118.2 | R348 | V346-R348 PolarHBondContact O-N 2.8Å; V346-R348 VanDerWaalsContact O-N 3.15Å | |||
| 347 | N | 28.4 | Very low | 43.6 | Very low | 166 Ų | 166 | 135.9 Ų | 135.9 | 89% | 0.888 | 70% | 0.697 | S | S | * | * | trans | 19.2 | 84.6 | 137.6 | -85.9 | -24.1 | 0 | 0 | 0 | 116.5 | ||||
| 348 | R | 28.6 | Very low | 46.7 | Very low | 227 Ų | 227 | 129 Ų | 129 | 86% | 0.857 | 67% | 0.668 | S | S | * | * | trans | -123.8 | 98 | 154.1 | -74.1 | -170.6 | -160.7 | -168.2 | 6.2 | 109.2 | V346 R350 | V346-R348 PolarHBondContact O-N 2.8Å; V346-R348 VanDerWaalsContact O-N 3.15Å; R348-R350 VanDerWaalsContact C-N 3.27Å; R348-R350 PolarHBondContact O-N 3.41Å | ||
| 349 | K | 32.4 | Very low | 49.6 | Very low | 205 Ų | 205 | 126.1 Ų | 126.1 | 89% | 0.891 | 64% | 0.641 | S | S | * | * | trans | -56.9 | 94.9 | 157.8 | -78.8 | -179.7 | 175.7 | 178 | 0 | 107.3 | Q351 | K349-Q351 PolarHBondContact O-N 3.23Š| ||
| 350 | R | 32.2 | Very low | 52.5 | Low | 192 Ų | 192 | 125.4 Ų | 125.4 | 73% | 0.725 | 63% | 0.626 | S | S | * | * | trans | -61.9 | 106 | 164.8 | -82 | -178.4 | 178 | 174.6 | -0.3 | 106.6 | R348 Y352 | R348-R350 VanDerWaalsContact C-N 3.27Å; R348-R350 PolarHBondContact O-N 3.41Å; R350-Y352 HydrophobicContact CB-CD2 3.9Å; R350-Y352 HydrophobicContact CB-CE2 3.6Å; R350-Y352 HydrophobicContact CG-CE2 4.45Å; R350-Y352 WeakPolarHBondContact O-CD2 3.36Å; R350-Y352 PolarHBondContact O-N 3.02Å | ||
| 351 | Q | 33.3 | Very low | 55.7 | Low | 174 Ų | 174 | 119.5 Ų | 119.5 | 81% | 0.813 | 59% | 0.59 | S | S | * | * | trans | -65.8 | 85.3 | 166.9 | -79.1 | 172.5 | -29.4 | 0 | 0 | 107.6 | K349 A353 | K349-Q351 PolarHBondContact O-N 3.23Å; Q351-A353 PolarHBondContact O-N 3.42Å | ||
| 352 | Y | 41.4 | Very low | 58.8 | Low | 179 Ų | 179 | 113.3 Ų | 113.3 | 70% | 0.702 | 55% | 0.548 | S | S | * | . | trans | -65.9 | 128.1 | 166.3 | -77.5 | -87.3 | 0 | 0 | 0 | 107.7 | R350 S354 | R350-Y352 HydrophobicContact CB-CD2 3.9Å; R350-Y352 HydrophobicContact CB-CE2 3.6Å; R350-Y352 HydrophobicContact CG-CE2 4.45Å; R350-Y352 WeakPolarHBondContact O-CD2 3.36Å; R350-Y352 PolarHBondContact O-N 3.02Å; Y352-S354 PolarHBondContact O-N 3.11Å | ||
| 353 | A | 53.6 | Low | 62 | Low | 66 Ų | 66 | 109.1 Ų | 109.1 | 55% | 0.545 | 53% | 0.525 | S | S | . | . | trans | -47.7 | 138.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | Q351 V355 | Q351-A353 PolarHBondContact O-N 3.42Å; A353-V355 WeakPolarHBondContact O-CG2 3.24Å; A353-V355 PolarHBondContact O-N 2.87Å | ||
| 354 | S | 68.1 | Low | 65.1 | Low | 41 Ų | 41 | 104.5 Ų | 104.5 | 29% | 0.287 | 50% | 0.5 | S | S | . | . | trans | -61.8 | 107.2 | 178.9 | -179.5 | 0 | 0 | 0 | 0 | 109.5 | R259 Q290 Y352 | R259-S354 PolarHBondContact NH2-O 3.2Å; Q290-S354 WeakPolarHBondContact CG-OG 3.21Å; Y352-S354 PolarHBondContact O-N 3.11Å | ||
| 355 | V | 86.2 | Confident | 68.4 | Low | 45 Ų | 45 | 97.2 Ų | 97.2 | 27% | 0.273 | 46% | 0.461 | S | S | . | . | trans | -103.4 | 132 | 177.4 | 178.9 | 0 | 0 | 0 | 0 | 108.9 | Q290 A353 R357 | Q290-V355 VanDerWaalsContact OE1-C 3.27Å; Q290-V355 PolarHBondContact OE1-O 3.1Å; A353-V355 WeakPolarHBondContact O-CG2 3.24Å; A353-V355 PolarHBondContact O-N 2.87Å; V355-R357 HydrophobicContact CG1-CG 4.35Å | ||
| 356 | Y | 95.1 | Very high | 71.7 | Confident | 24 Ų | 24 | 91.8 Ų | 91.8 | 9% | 0.094 | 42% | 0.424 | C | S | . | . | trans | -81.8 | 121.6 | 173.3 | 178.7 | -101.9 | 0 | 0 | 0 | 110.2 | Y250 Q286 W287 Q290 P358 A361 | Y250-Y356 WeakPolarHBondContact O-CE1 3.44Å; Y250-Y356 VanDerWaalsContact O-CZ 3.3Å; Y250-Y356 PolarHBondContact O-OH 3.24Å; Q286-Y356 HydrophobicContact CB-CE2 4.23Å; W287-Y356 HydrophobicContact CB-CD2 3.98Å; W287-Y356 HydrophobicContact CB-CE1 4.43Å; W287-Y356 HydrophobicContact CB-CE2 3.79Å; W287-Y356 HydrophobicContact CB-CG 4.39Å; W287-Y356 AromaticContact CD1-CD1 3.85Å; Q290-Y356 VanDerWaalsContact OE1-N 3.08Å; Y356-P358 HydrophobicContact CD1-CG 4.29Å; Y356-P358 HydrophobicContact CE1-CB 4.36Å; Y356-P358 HydrophobicContact CE1-CG 3.86Å; Y356-A361 HydrophobicContact CD2-CB 4.47Å; Y356-A361 HydrophobicContact CE2-CB 3.6Å | ||
| 357 | R | 96.2 | Very high | 74.9 | Confident | 161 Ų | 161 | 91.8 Ų | 91.8 | 61% | 0.608 | 41% | 0.411 | S | S | * | . | trans | -117.8 | 107.2 | 178.4 | -68.3 | -171.2 | 175.8 | 88.4 | -0 | 108.8 | V355 R359 E360 A361 | V355-R357 HydrophobicContact CG1-CG 4.35Å; R357-R359 VanDerWaalsContact C-N 3.29Å; R357-R359 PolarHBondContact O-N 3.29Å; R357-E360 HydrophobicContact CB-CB 4.08Å; R357-E360 PolarHBondContact O-N 3.23Å; R357-E360 VanDerWaalsContact O-N 3.08Å; R357-A361 PolarHBondContact O-N 3.19Å | ||
| 358 | P | 97 | Very high | 78.1 | Confident | 36 Ų | 36 | 86.9 Ų | 86.9 | 23% | 0.234 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -53.3 | -41.5 | -174.1 | -27.4 | 32.4 | 0 | 0 | 0 | 113.9 | P249 Y356 E360 A361 L362 | P249-P358 HydrophobicContact CB-CB 4Å; P249-P358 VanDerWaalsContact CB-O 3.26Å; P249-P358 WeakPolarHBondContact CB-O 3.45Å; P249-P358 HydrophobicContact CG-CB 3.63Å; P249-P358 WeakPolarHBondContact CG-O 3.18Å; Y356-P358 HydrophobicContact CD1-CG 4.29Å; Y356-P358 HydrophobicContact CE1-CB 4.36Å; Y356-P358 HydrophobicContact CE1-CG 3.86Å; P358-E360 PolarHBondContact O-N 3.33Å; P358-A361 PolarHBondContact O-N 3.02Å; P358-L362 WeakPolarHBondContact O-CB 3.2Å; P358-L362 PolarHBondContact O-N 3.09Å |
| 359 | R | 96.7 | Very high | 81.4 | Confident | 58 Ų | 58 | 76.1 Ų | 76.1 | 22% | 0.219 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -66.7 | -37.3 | -179.8 | -169.2 | 58.2 | 168.8 | 142.9 | -19.1 | 113.2 | R357 R363 D446 | R357-R359 VanDerWaalsContact C-N 3.29Å; R357-R359 PolarHBondContact O-N 3.29Å; R359-R363 PolarHBondContact O-N 2.87Å; R359-R363 VanDerWaalsContact O-N 3.16Å; R359-D446 IonicContact CZ-OD1 3.45Å; R359-D446 IonicContact NH1-OD1 3.79Å; R359-D446 IonicContact NH2-OD1 3.2Å; R359-D446 PolarHBondContact NH2-OD1 2.7Å; R359-D446 IonicContact NH2-OD2 2.99Å; R359-D446 PolarHBondContact NH2-OD2 3.4Å |
| 360 | E | 97.1 | Very high | 84.3 | Confident | 98 Ų | 98 | 67.5 Ų | 67.5 | 46% | 0.458 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -70.7 | -42.5 | 175.2 | -177.1 | 57.5 | -159.8 | 0 | 0 | 110.7 | R357 P358 L362 R363 I364 | R357-E360 HydrophobicContact CB-CB 4.08Å; R357-E360 PolarHBondContact O-N 3.23Å; R357-E360 VanDerWaalsContact O-N 3.08Å; P358-E360 PolarHBondContact O-N 3.33Å; E360-L362 VanDerWaalsContact C-N 3.29Å; E360-L362 PolarHBondContact O-N 3Å; E360-R363 PolarHBondContact O-N 2.85Å; E360-R363 VanDerWaalsContact O-N 3.16Å; E360-I364 HydrophobicContact CG-CD1 4.19Å; E360-I364 WeakPolarHBondContact O-CG1 3.4Å; E360-I364 PolarHBondContact O-N 3.04Å |
| 361 | A | 97.9 | Very high | 87.2 | Confident | 3 Ų | 3 | 60.9 Ų | 60.9 | 3% | 0.025 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.8 | -41.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | T283 Q286 Y356 R357 P358 I364 A365 | T283-A361 HydrophobicContact CG2-CB 4.07Å; Q286-A361 PolarHBondContact NE2-O 2.95Å; Y356-A361 HydrophobicContact CD2-CB 4.47Å; Y356-A361 HydrophobicContact CE2-CB 3.6Å; R357-A361 PolarHBondContact O-N 3.19Å; P358-A361 PolarHBondContact O-N 3.02Å; A361-I364 PolarHBondContact O-N 2.9Å; A361-A365 WeakPolarHBondContact O-CB 3.33Å; A361-A365 PolarHBondContact O-N 2.88Å |
| 362 | L | 98.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57.8 | -51.1 | 173.2 | 177.5 | 59.7 | 0 | 0 | 0 | 111.4 | P249 V279 P358 E360 I364 A365 L366 A445 Y449 | P249-L362 HydrophobicContact CB-CB 4.02Å; P249-L362 HydrophobicContact CG-CB 4.14Å; V279-L362 HydrophobicContact CG1-CD1 3.55Å; V279-L362 HydrophobicContact CG2-CD1 4.42Å; P358-L362 WeakPolarHBondContact O-CB 3.2Å; P358-L362 PolarHBondContact O-N 3.09Å; E360-L362 VanDerWaalsContact C-N 3.29Å; E360-L362 PolarHBondContact O-N 3Å; L362-I364 VanDerWaalsContact C-N 3.3Å; L362-I364 PolarHBondContact O-N 3.4Å; L362-A365 WeakPolarHBondContact O-CB 3.4Å; L362-A365 PolarHBondContact O-N 2.85Å; L362-A365 VanDerWaalsContact O-N 3.11Å; L362-L366 HydrophobicContact CD1-CD1 3.88Å; L362-L366 HydrophobicContact CD1-CD2 4.17Å; L362-L366 HydrophobicContact CD1-CG 3.81Å; L362-L366 HydrophobicContact CG-CD1 3.89Å; L362-L366 HydrophobicContact CG-CG 4.22Å; L362-L366 WeakPolarHBondContact O-CG 3.15Å; L362-L366 PolarHBondContact O-N 2.78Å; L362-A445 HydrophobicContact CD1-CB 4.29Å; L362-A445 HydrophobicContact CD2-CB 4.39Å; L362-Y449 HydrophobicContact CD2-CE2 3.87Å |
| 363 | R | 98.1 | Very high | 92.2 | Very high | 85 Ų | 85 | 45.8 Ų | 45.8 | 32% | 0.321 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -59.8 | -39.2 | -179.2 | -75.1 | -165.8 | 166.1 | 106 | 6.3 | 113.2 | R359 E360 R367 E442 | R359-R363 PolarHBondContact O-N 2.87Å; R359-R363 VanDerWaalsContact O-N 3.16Å; E360-R363 PolarHBondContact O-N 2.85Å; E360-R363 VanDerWaalsContact O-N 3.16Å; R363-R367 WeakPolarHBondContact O-CB 3.16Å; R363-R367 PolarHBondContact O-N 2.87Å; R363-R367 VanDerWaalsContact O-N 3.13Å; R363-E442 WeakPolarHBondContact CD-OE1 3.3Å; R363-E442 WeakPolarHBondContact CG-OE1 3.38Å; R363-E442 IonicContact CZ-OE1 2.81Å; R363-E442 IonicContact CZ-OE2 2.93Å; R363-E442 IonicContact NE-OE1 4Å; R363-E442 PolarHBondContact NE-OE1 3.29Å; R363-E442 IonicContact NE-OE2 2.9Å; R363-E442 PolarHBondContact NE-OE2 3.22Å; R363-E442 IonicContact NH2-OE2 3.31Å; R363-E442 PolarHBondContact NH2-OE2 3.1Å |
| 364 | I | 97.9 | Very high | 93.8 | Very high | 49 Ų | 49 | 46.2 Ų | 46.2 | 25% | 0.251 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -64.8 | -47.3 | 174.9 | -61.8 | 167.3 | 0 | 0 | 0 | 110.1 | E360 A361 L362 L366 R367 D368 | E360-I364 HydrophobicContact CG-CD1 4.19Å; E360-I364 WeakPolarHBondContact O-CG1 3.4Å; E360-I364 PolarHBondContact O-N 3.04Å; A361-I364 PolarHBondContact O-N 2.9Å; L362-I364 VanDerWaalsContact C-N 3.3Å; L362-I364 PolarHBondContact O-N 3.4Å; I364-L366 PolarHBondContact O-N 2.6Å; I364-R367 PolarHBondContact O-N 2.77Å; I364-D368 PolarHBondContact O-N 2.92Å; I364-D368 VanDerWaalsContact O-N 3.12Å |
| 365 | A | 98.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.1 | -44.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | V279 H282 T283 A361 L362 R367 D368 W369 | V279-A365 HydrophobicContact CG1-CB 4.24Å; V279-A365 HydrophobicContact CG2-CB 4.41Å; H282-A365 HydrophobicContact CB-CB 3.88Å; T283-A365 HydrophobicContact CG2-CB 3.95Å; A361-A365 WeakPolarHBondContact O-CB 3.33Å; A361-A365 PolarHBondContact O-N 2.88Å; L362-A365 WeakPolarHBondContact O-CB 3.4Å; L362-A365 PolarHBondContact O-N 2.85Å; L362-A365 VanDerWaalsContact O-N 3.11Å; A365-R367 PolarHBondContact O-N 3.39Å; A365-D368 PolarHBondContact O-N 3.29Å; A365-W369 WeakPolarHBondContact O-CB 3.17Å; A365-W369 PolarHBondContact O-N 3.41Å |
| 366 | L | 98.2 | Very high | 92.9 | Very high | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.1 | -38.3 | 178.9 | -66.1 | 177.2 | 0 | 0 | 0 | 112.5 | V279 L362 I364 W369 L370 L438 L441 E442 A445 | V279-L366 HydrophobicContact CG2-CD2 3.72Å; L362-L366 HydrophobicContact CD1-CD1 3.88Å; L362-L366 HydrophobicContact CD1-CD2 4.17Å; L362-L366 HydrophobicContact CD1-CG 3.81Å; L362-L366 HydrophobicContact CG-CD1 3.89Å; L362-L366 HydrophobicContact CG-CG 4.22Å; L362-L366 WeakPolarHBondContact O-CG 3.15Å; L362-L366 PolarHBondContact O-N 2.78Å; I364-L366 PolarHBondContact O-N 2.6Å; L366-W369 HydrophobicContact CD2-CE3 4.08Å; L366-W369 HydrophobicContact CD2-CZ3 4.5Å; L366-W369 PolarHBondContact O-N 2.98Å; L366-L370 WeakPolarHBondContact O-CB 3.47Å; L366-L370 PolarHBondContact O-N 3.45Å; L366-L438 HydrophobicContact CB-CD1 3.79Å; L366-L441 HydrophobicContact CB-CB 4.5Å; L366-L441 HydrophobicContact CD2-CB 4.28Å; L366-E442 HydrophobicContact CD1-CB 4.46Å; L366-E442 HydrophobicContact CD1-CG 3.91Å; L366-A445 HydrophobicContact CD1-CB 4.08Å; L366-A445 HydrophobicContact CD2-CB 4.26Å |
| 367 | R | 97.6 | Very high | 90.7 | Very high | 118 Ų | 118 | 56.1 Ų | 56.1 | 45% | 0.445 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.8 | -45.2 | 175.4 | -173.6 | -173.5 | -56.3 | 107.2 | 2.7 | 111.7 | R363 I364 A365 L370 A371 L438 | R363-R367 WeakPolarHBondContact O-CB 3.16Å; R363-R367 PolarHBondContact O-N 2.87Å; R363-R367 VanDerWaalsContact O-N 3.13Å; I364-R367 PolarHBondContact O-N 2.77Å; A365-R367 PolarHBondContact O-N 3.39Å; R367-L370 PolarHBondContact O-N 3.37Å; R367-A371 PolarHBondContact O-N 3.42Å; R367-L438 HydrophobicContact CB-CD1 4.33Å |
| 368 | D | 96.6 | Very high | 87.7 | Confident | 63 Ų | 63 | 53.7 Ų | 53.7 | 34% | 0.337 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -69.8 | -36.7 | 179.2 | -65.4 | -10.4 | 0 | 0 | 0 | 111 | Y278 H282 I364 A365 A371 L372 | Y278-D368 HydrophobicContact CE1-CB 4.25Å; H282-D368 IonicContact CD2-OD2 3.46Å; H282-D368 IonicContact CE1-OD2 3.79Å; H282-D368 IonicContact NE2-OD2 2.66Å; H282-D368 PolarHBondContact NE2-OD2 3.06Å; I364-D368 PolarHBondContact O-N 2.92Å; I364-D368 VanDerWaalsContact O-N 3.12Å; A365-D368 PolarHBondContact O-N 3.29Å; D368-A371 PolarHBondContact O-N 3.37Å; D368-L372 PolarHBondContact O-N 3.2Å; D368-L372 VanDerWaalsContact O-N 3.13Å |
| 369 | W | 95.9 | Very high | 84.5 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.5 | -41.9 | 175.7 | -162.6 | 26.7 | 0 | 0 | 0 | 111.8 | I247 E275 Y278 V279 A365 L366 A371 L372 M373 I517 L521 | I247-W369 HydrophobicContact CG2-CZ3 4.08Å; E275-W369 VanDerWaalsContact O-CZ2 3.28Å; E275-W369 WeakPolarHBondContact O-CZ2 3.25Å; Y278-W369 HydrophobicContact CD1-CB 3.43Å; Y278-W369 VanDerWaalsContact CD1-CB 3.43Å; Y278-W369 AromaticContact CD1-CD1 3.66Å; Y278-W369 HydrophobicContact CD1-CD2 4.35Å; Y278-W369 AromaticContact CD1-CG 3.54Å; Y278-W369 HydrophobicContact CD1-CG 3.54Å; Y278-W369 AromaticContact CD2-CD1 3.66Å; Y278-W369 HydrophobicContact CD2-CG 4.37Å; Y278-W369 HydrophobicContact CE1-CB 3.59Å; Y278-W369 HydrophobicContact CE1-CG 4.12Å; Y278-W369 HydrophobicContact CG-CB 4.08Å; Y278-W369 AromaticContact CG-CD1 3.33Å; Y278-W369 HydrophobicContact CG-CD2 4.34Å; Y278-W369 AromaticContact CG-CG 3.68Å; Y278-W369 HydrophobicContact CG-CG 3.68Å; Y278-W369 AromaticContact CG-NE1 3.82Å; V279-W369 HydrophobicContact CG2-CE3 4.24Å; A365-W369 WeakPolarHBondContact O-CB 3.17Å; A365-W369 PolarHBondContact O-N 3.41Å; L366-W369 HydrophobicContact CD2-CE3 4.08Å; L366-W369 HydrophobicContact CD2-CZ3 4.5Å; L366-W369 PolarHBondContact O-N 2.98Å; W369-A371 VanDerWaalsContact C-N 3.29Å; W369-A371 PolarHBondContact O-N 3.31Å; W369-L372 CarbonylContact O-C 3.56Å; W369-L372 WeakPolarHBondContact O-CA 3.49Å; W369-L372 WeakPolarHBondContact O-CB 3.46Å; W369-L372 PolarHBondContact O-N 3.35Å; W369-M373 HydrophobicContact CD2-CE 3.36Å; W369-M373 HydrophobicContact CE3-CE 3.57Å; W369-M373 HydrophobicContact CG-CE 4.05Å; W369-M373 HydrophobicContact CH2-CE 3.53Å; W369-M373 HydrophobicContact CZ2-CE 3.3Å; W369-M373 HydrophobicContact CZ3-CE 3.64Å; W369-M373 WeakPolarHBondContact O-CG 3.21Å; W369-M373 PolarHBondContact O-N 3.09Å; W369-I517 HydrophobicContact CZ2-CG2 4.36Å; W369-L521 HydrophobicContact CH2-CD1 3.74Å; W369-L521 HydrophobicContact CH2-CD2 4.48Å; W369-L521 HydrophobicContact CZ2-CD1 4.11Å |
| 370 | L | 95.1 | Very high | 81.2 | Confident | 25 Ų | 25 | 63.5 Ų | 63.5 | 13% | 0.131 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -57.4 | -43.8 | 174.3 | -177.3 | 60.1 | 0 | 0 | 0 | 111.4 | L366 R367 L372 M373 L374 V436 L438 L441 | L366-L370 WeakPolarHBondContact O-CB 3.47Å; L366-L370 PolarHBondContact O-N 3.45Å; R367-L370 PolarHBondContact O-N 3.37Å; L370-L372 VanDerWaalsContact C-N 3.28Å; L370-L372 PolarHBondContact O-N 3.13Å; L370-M373 PolarHBondContact O-N 3.12Å; L370-L374 HydrophobicContact CD1-CD1 3.95Å; L370-L374 HydrophobicContact CD1-CG 4.14Å; L370-L374 HydrophobicContact CG-CD1 4Å; L370-L374 VanDerWaalsContact O-CG 3.3Å; L370-L374 WeakPolarHBondContact O-CG 3.38Å; L370-L374 PolarHBondContact O-N 2.85Å; L370-V436 HydrophobicContact CD1-CB 4.32Å; L370-V436 HydrophobicContact CD1-CG1 4.08Å; L370-V436 WeakPolarHBondContact CD1-O 3.36Å; L370-L438 HydrophobicContact CD2-CB 4.15Å; L370-L441 HydrophobicContact CB-CD1 3.76Å; L370-L441 HydrophobicContact CD1-CD1 3.99Å; L370-L441 HydrophobicContact CG-CD1 4.39Å |
| 371 | A | 92.3 | Very high | 77.9 | Confident | 52 Ų | 52 | 65 Ų | 65 | 43% | 0.43 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.5 | -37.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | R367 D368 W369 Q375 | R367-A371 PolarHBondContact O-N 3.42Å; D368-A371 PolarHBondContact O-N 3.37Å; W369-A371 VanDerWaalsContact C-N 3.29Å; W369-A371 PolarHBondContact O-N 3.31Å; A371-Q375 VanDerWaalsContact O-CG 3.32Å; A371-Q375 WeakPolarHBondContact O-CG 3.47Å; A371-Q375 PolarHBondContact O-N 3.08Å; A371-Q375 PolarHBondContact O-NE2 3.05Å |
| 372 | L | 89.7 | Confident | 74.8 | Confident | 34 Ų | 34 | 69.9 Ų | 69.9 | 18% | 0.178 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -70.3 | -41.8 | 175 | -177.1 | 132.4 | 0 | 0 | 0 | 112.2 | Y278 D368 W369 L370 L374 Q375 I517 | Y278-L372 HydrophobicContact CE2-CD1 4.11Å; D368-L372 PolarHBondContact O-N 3.2Å; D368-L372 VanDerWaalsContact O-N 3.13Å; W369-L372 CarbonylContact O-C 3.56Å; W369-L372 WeakPolarHBondContact O-CA 3.49Å; W369-L372 WeakPolarHBondContact O-CB 3.46Å; W369-L372 PolarHBondContact O-N 3.35Å; L370-L372 VanDerWaalsContact C-N 3.28Å; L370-L372 PolarHBondContact O-N 3.13Å; L372-L374 VanDerWaalsContact C-N 3.28Å; L372-L374 PolarHBondContact O-N 3.29Å; L372-Q375 PolarHBondContact O-N 3.2Å; L372-I517 HydrophobicContact CD2-CD1 4.12Å |
| 373 | M | 90.7 | Very high | 71.6 | Confident | 2 Ų | 2 | 76 Ų | 76 | 1% | 0.01 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -61.4 | -34.5 | 177.5 | -72.9 | -169.1 | -177 | 0 | 0 | 113.2 | W369 L370 L441 L512 I517 L521 | W369-M373 HydrophobicContact CD2-CE 3.36Å; W369-M373 HydrophobicContact CE3-CE 3.57Å; W369-M373 HydrophobicContact CG-CE 4.05Å; W369-M373 HydrophobicContact CH2-CE 3.53Å; W369-M373 HydrophobicContact CZ2-CE 3.3Å; W369-M373 HydrophobicContact CZ3-CE 3.64Å; W369-M373 WeakPolarHBondContact O-CG 3.21Å; W369-M373 PolarHBondContact O-N 3.09Å; L370-M373 PolarHBondContact O-N 3.12Å; M373-L441 HydrophobicContact CE-CD2 4.02Å; M373-L441 HydrophobicContact SD-CD1 4.38Å; M373-L441 HydrophobicContact SD-CD2 4.18Å; M373-L512 HydrophobicContact CB-CD2 4.13Å; M373-L512 HydrophobicContact SD-CD1 3.86Å; M373-L512 HydrophobicContact SD-CD2 4.18Å; M373-I517 HydrophobicContact CE-CG2 3.83Å; M373-I517 HydrophobicContact CG-CD1 3.81Å; M373-I517 HydrophobicContact SD-CG2 4.46Å; M373-L521 HydrophobicContact CE-CD1 4.3Å |
| 374 | L | 86.1 | Confident | 68.3 | Low | 76 Ų | 76 | 76.4 Ų | 76.4 | 40% | 0.398 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -10 | -177.3 | -65.3 | 176.8 | 0 | 0 | 0 | 113.7 | L370 L372 V376 A435 | L370-L374 HydrophobicContact CD1-CD1 3.95Å; L370-L374 HydrophobicContact CD1-CG 4.14Å; L370-L374 HydrophobicContact CG-CD1 4Å; L370-L374 VanDerWaalsContact O-CG 3.3Å; L370-L374 WeakPolarHBondContact O-CG 3.38Å; L370-L374 PolarHBondContact O-N 2.85Å; L372-L374 VanDerWaalsContact C-N 3.28Å; L372-L374 PolarHBondContact O-N 3.29Å; L374-V376 PolarHBondContact O-N 2.98Å; L374-V376 VanDerWaalsContact O-N 3.08Å; L374-A435 HydrophobicContact CD2-CB 4.36Å |
| 375 | Q | 79.8 | Confident | 65.2 | Low | 139 Ų | 139 | 82.4 Ų | 82.4 | 65% | 0.65 | 50% | 0.499 | S | S | * | . | trans | -70 | 105.8 | 174.2 | -78.6 | 169.6 | 34.5 | 0 | 0 | 110 | A371 L372 | A371-Q375 VanDerWaalsContact O-CG 3.32Å; A371-Q375 WeakPolarHBondContact O-CG 3.47Å; A371-Q375 PolarHBondContact O-N 3.08Å; A371-Q375 PolarHBondContact O-NE2 3.05Å; L372-Q375 PolarHBondContact O-N 3.2Å | ||
| 376 | V | 56.2 | Low | 61.9 | Low | 111 Ų | 111 | 85.4 Ų | 85.4 | 67% | 0.673 | 53% | 0.53 | S | S | * | . | trans | -64.7 | 130.5 | 169.7 | 179.9 | 0 | 0 | 0 | 0 | 108.1 | L374 A378 | L374-V376 PolarHBondContact O-N 2.98Å; L374-V376 VanDerWaalsContact O-N 3.08Å; V376-A378 VanDerWaalsContact C-N 3.28Å; V376-A378 PolarHBondContact O-N 3.37Å | ||
| 377 | G | 49.3 | Very low | 58.5 | Low | 68 Ų | 68 | 92.4 Ų | 92.4 | 70% | 0.701 | 57% | 0.573 | S | S | * | * | trans | -51.6 | 81.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | S379 | G377-S379 PolarHBondContact O-N 3.12Š| ||
| 378 | A | 31.9 | Very low | 55.3 | Low | 109 Ų | 109 | 92.2 Ų | 92.2 | 90% | 0.901 | 59% | 0.586 | S | S | * | * | trans | -80.9 | 40.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | V376 | V376-A378 VanDerWaalsContact C-N 3.28Å; V376-A378 PolarHBondContact O-N 3.37Å | ||
| 379 | S | 31.6 | Very low | 52.3 | Low | 103 Ų | 103 | 94.6 Ų | 94.6 | 72% | 0.72 | 60% | 0.604 | S | S | * | * | trans | -110.1 | 107.5 | 160.6 | 47.4 | 0 | 0 | 0 | 0 | 108.3 | G377 | G377-S379 PolarHBondContact O-N 3.12Š| ||
| 380 | K | 27.4 | Very low | 49.2 | Very low | 198 Ų | 198 | 100.9 Ų | 100.9 | 86% | 0.861 | 64% | 0.644 | S | S | * | * | trans | -52.2 | 138.8 | 169.9 | -80.2 | 176.7 | 174 | 176 | 0 | 109.6 | S382 | K380-S382 PolarHBondContact O-N 3.26Å; K380-S382 VanDerWaalsContact O-N 3.1Å | ||
| 381 | P | 26.9 | Very low | 46.3 | Very low | 128 Ų | 128 | 107.1 Ų | 107.1 | 83% | 0.831 | 68% | 0.675 | S | S | * | * | trans | -72 | 108 | 174.2 | 29.1 | -30.1 | 0 | 0 | 0 | 108.6 | T383 | P381-T383 PolarHBondContact O-N 3.36Š| ||
| 382 | S | 32.6 | Very low | 43.4 | Very low | 107 Ų | 107 | 111.3 Ų | 111.3 | 75% | 0.748 | 69% | 0.69 | S | S | * | * | trans | -74.5 | 103.2 | 161.4 | 60.3 | 0 | 0 | 0 | 0 | 108.1 | K380 | K380-S382 PolarHBondContact O-N 3.26Å; K380-S382 VanDerWaalsContact O-N 3.1Å | ||
| 383 | T | 32.1 | Very low | 40.9 | Very low | 128 Ų | 128 | 116.3 Ų | 116.3 | 79% | 0.785 | 72% | 0.722 | S | S | * | * | trans | 35 | 101.7 | 143 | 40.7 | 0 | 0 | 0 | 0 | 117.7 | P381 | P381-T383 PolarHBondContact O-N 3.36Š| ||
| 384 | A | 27.9 | Very low | 38.2 | Very low | 93 Ų | 93 | 122.1 Ų | 122.1 | 77% | 0.769 | 75% | 0.753 | S | S | * | * | trans | 48.6 | 104.5 | 139 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 385 | I | 32.6 | Very low | 35.8 | Very low | 176 Ų | 176 | 126.5 Ų | 126.5 | 90% | 0.903 | 78% | 0.777 | S | S | * | * | trans | -165.5 | 124.9 | 130.8 | -88.5 | 142.8 | 0 | 0 | 0 | 107.8 | ||||
| 386 | G | 30.1 | Very low | 33.5 | Very low | 63 Ų | 63 | 126.9 Ų | 126.9 | 65% | 0.649 | 78% | 0.783 | S | S | * | * | trans | 59.6 | 102.3 | 151.2 | 0 | 0 | 0 | 0 | 0 | 119.3 | P388 | G386-P388 VanDerWaalsContact O-CD 3.29Å; G386-P388 WeakPolarHBondContact O-CD 3.42Å | ||
| 387 | T | 25.4 | Very low | 32.5 | Very low | 148 Ų | 148 | 130.7 Ų | 130.7 | 91% | 0.908 | 79% | 0.793 | S | S | * | * | trans | -56.2 | 128.9 | 153.4 | -21.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 388 | P | 32 | Very low | 31.6 | Very low | 113 Ų | 113 | 134.2 Ų | 134.2 | 73% | 0.734 | 80% | 0.801 | S | S | * | * | trans | -109.9 | 121.2 | 157.1 | 8.8 | 13.3 | 0 | 0 | 0 | 109.1 | G386 | G386-P388 VanDerWaalsContact O-CD 3.29Å; G386-P388 WeakPolarHBondContact O-CD 3.42Å | ||
| 389 | T | 33 | Very low | 31.7 | Very low | 114 Ų | 114 | 132.7 Ų | 132.7 | 70% | 0.699 | 80% | 0.796 | S | S | * | * | trans | -54.9 | 148.7 | 165.2 | 31.8 | 0 | 0 | 0 | 0 | 111.6 | M391 | T389-M391 PolarHBondContact O-N 3.33Š| ||
| 390 | P | 30.3 | Very low | 31.7 | Very low | 131 Ų | 131 | 136.5 Ų | 136.5 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -77.5 | 87.8 | 175.6 | 31 | -30.3 | 0 | 0 | 0 | 110.1 | ||
| 391 | M | 33.5 | Very low | 32 | Very low | 157 Ų | 157 | 134.2 Ų | 134.2 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | trans | -172 | 110.6 | 159.3 | -103 | -168.5 | -38.1 | 0 | 0 | 105.9 | T389 | T389-M391 PolarHBondContact O-N 3.33Š| ||
| 392 | D | 32 | Very low | 32.1 | Very low | 139 Ų | 139 | 137 Ų | 137 | 74% | 0.743 | 80% | 0.802 | S | S | * | * | trans | -158.1 | 78.4 | 156.5 | -84.4 | -28.8 | 0 | 0 | 0 | 106.5 | ||||
| 393 | T | 37.9 | Very low | 32 | Very low | 140 Ų | 140 | 136.5 Ų | 136.5 | 86% | 0.859 | 80% | 0.804 | S | S | * | * | trans | -115.8 | 88.7 | 149.1 | 39.6 | 0 | 0 | 0 | 0 | 104.4 | N395 | T393-N395 PolarHBondContact O-N 3.21Š| ||
| 394 | D | 32.8 | Very low | 32 | Very low | 123 Ų | 123 | 136.3 Ų | 136.3 | 66% | 0.658 | 81% | 0.805 | S | S | * | * | trans | -71.6 | 107.4 | 179.1 | -86.4 | -29.8 | 0 | 0 | 0 | 110.3 | ||||
| 395 | N | 35.6 | Very low | 32.4 | Very low | 168 Ų | 168 | 141.1 Ų | 141.1 | 90% | 0.898 | 81% | 0.814 | S | S | * | * | trans | -109 | 104 | 146.9 | -92.8 | -13 | 0 | 0 | 0 | 106.8 | T393 | T393-N395 PolarHBondContact O-N 3.21Š| ||
| 396 | L | 31.6 | Very low | 32.4 | Very low | 147 Ų | 147 | 141.5 Ų | 141.5 | 77% | 0.77 | 81% | 0.812 | S | S | * | * | trans | -87.1 | 104.5 | 170 | -99.9 | 124.4 | 0 | 0 | 0 | 109.4 | ||||
| 397 | E | 36.2 | Very low | 32.4 | Very low | 192 Ų | 192 | 146.2 Ų | 146.2 | 90% | 0.897 | 82% | 0.821 | S | S | * | * | trans | -130.4 | 132.8 | 148.5 | -76.3 | -163.6 | 166 | 0 | 0 | 110.3 | ||||
| 398 | T | 31.1 | Very low | 32.7 | Very low | 141 Ų | 141 | 148.3 Ų | 148.3 | 87% | 0.865 | 82% | 0.82 | S | S | * | * | trans | -74.3 | 135.9 | -169.2 | 46.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 399 | G | 33.1 | Very low | 32.5 | Very low | 78 Ų | 78 | 147.8 Ų | 147.8 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | trans | 174.6 | 123.3 | 164.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 400 | Q | 30.9 | Very low | 32.5 | Very low | 182 Ų | 182 | 149 Ų | 149 | 85% | 0.85 | 83% | 0.827 | S | S | * | * | trans | -79.9 | 138.4 | -168.7 | -60.4 | 160.6 | -40.2 | 0 | 0 | 112.8 | ||||
| 401 | N | 34.4 | Very low | 32.7 | Very low | 151 Ų | 151 | 148 Ų | 148 | 81% | 0.807 | 82% | 0.82 | S | S | * | * | 167.1 | 129.7 | 119.7 | -82.9 | -22.1 | 0 | 0 | 0 | 114.3 | |||||
| 402 | E | 28.4 | Very low | 32.4 | Very low | 186 Ų | 186 | 145.1 Ų | 145.1 | 87% | 0.869 | 82% | 0.816 | S | S | * | * | trans | -27.8 | 141.5 | 172.1 | -57.9 | 173.8 | 154.3 | 0 | 0 | 121.4 | ||||
| 403 | A | 31.3 | Very low | 32.3 | Very low | 97 Ų | 97 | 145.8 Ų | 145.8 | 80% | 0.802 | 82% | 0.819 | S | S | * | * | 179.8 | 126.7 | 113.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 404 | P | 32.1 | Very low | 32.1 | Very low | 124 Ų | 124 | 145.7 Ų | 145.7 | 81% | 0.805 | 82% | 0.818 | S | S | * | * | trans | -100.8 | 147 | 177.4 | 36.2 | -28.2 | 0 | 0 | 0 | 112.7 | ||||
| 405 | M | 35 | Very low | 31.9 | Very low | 193 Ų | 193 | 145.9 Ų | 145.9 | 95% | 0.951 | 82% | 0.824 | S | S | * | * | trans | -122.6 | 142.9 | 164.6 | -94.8 | -156.7 | -76.4 | 0 | 0 | 112.8 | ||||
| 406 | Q | 34.3 | Very low | 31.9 | Very low | 185 Ų | 185 | 143.9 Ų | 143.9 | 86% | 0.864 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 149.4 | -154.4 | -63.5 | 162.8 | -78.5 | 0 | 0 | 114.4 | ||
| 407 | I | 29.3 | Very low | 31.9 | Very low | 162 Ų | 162 | 143.4 Ų | 143.4 | 83% | 0.831 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -101.8 | 118.6 | 161.1 | -63.9 | 171.4 | 0 | 0 | 0 | 107.6 | ||
| 408 | E | 31.5 | Very low | 31.6 | Very low | 191 Ų | 191 | 138.9 Ų | 138.9 | 89% | 0.893 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -80 | 132 | 168.5 | -90.5 | -179.4 | 160 | 0 | 0 | 110.9 | ||
| 409 | S | 28.1 | Very low | 31.7 | Very low | 102 Ų | 102 | 139.8 Ų | 139.8 | 71% | 0.713 | 80% | 0.803 | S | S | * | * | trans | -127.2 | 132.9 | 175.4 | 39.8 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 410 | T | 33.1 | Very low | 31.6 | Very low | 139 Ų | 139 | 142.6 Ų | 142.6 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | trans | -174.1 | 157.2 | 159.3 | 6.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 411 | P | 33.6 | Very low | 31.8 | Very low | 111 Ų | 111 | 141 Ų | 141 | 72% | 0.721 | 80% | 0.797 | S | S | * | * | -135.8 | 174.6 | -93.9 | 42.2 | -24.6 | 0 | 0 | 0 | 115.9 | |||||
| 412 | S | 27.5 | Very low | 31.6 | Very low | 97 Ų | 97 | 138.8 Ų | 138.8 | 68% | 0.678 | 79% | 0.793 | S | S | * | * | trans | -1.2 | 134.1 | 153.9 | -42 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 413 | N | 31.4 | Very low | 32 | Very low | 153 Ų | 153 | 135.8 Ų | 135.8 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | 138.7 | 118.9 | 123.7 | -73.7 | -26.9 | 0 | 0 | 0 | 112 | |||||
| 414 | V | 32.2 | Very low | 32 | Very low | 138 Ų | 138 | 140.2 Ų | 140.2 | 84% | 0.836 | 80% | 0.797 | S | S | * | * | -167.4 | 124.6 | 122.5 | 172.4 | 0 | 0 | 0 | 0 | 108.3 | V416 | V414-V416 HydrophobicContact CG1-CG2 4.21Š| |||
| 415 | V | 28.9 | Very low | 32 | Very low | 127 Ų | 127 | 140 Ų | 140 | 77% | 0.77 | 79% | 0.794 | S | S | * | * | trans | -103.8 | 130.8 | 171.2 | 168.2 | 0 | 0 | 0 | 0 | 108.2 | I417 | V415-I417 HydrophobicContact CG1-CG1 4.32Š| ||
| 416 | V | 35.1 | Very low | 31.6 | Very low | 126 Ų | 126 | 137.1 Ų | 137.1 | 76% | 0.764 | 79% | 0.789 | S | S | * | * | trans | -153.8 | 96.3 | 157.2 | -171.5 | 0 | 0 | 0 | 0 | 107.1 | V414 | V414-V416 HydrophobicContact CG1-CG2 4.21Š| ||
| 417 | I | 33.3 | Very low | 31.7 | Very low | 136 Ų | 136 | 135.5 Ų | 135.5 | 70% | 0.697 | 79% | 0.785 | S | S | * | * | 54.4 | 103.1 | 93.8 | -52.5 | 179.4 | 0 | 0 | 0 | 115.3 | V415 | V415-I417 HydrophobicContact CG1-CG1 4.32Š| |||
| 418 | S | 28.9 | Very low | 31.6 | Very low | 98 Ų | 98 | 133.4 Ų | 133.4 | 69% | 0.685 | 79% | 0.785 | S | S | * | * | trans | 32.1 | 131.2 | 134.6 | -38.2 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 419 | D | 32.4 | Very low | 31.5 | Very low | 159 Ų | 159 | 127.2 Ų | 127.2 | 85% | 0.85 | 77% | 0.772 | S | S | * | * | -174.1 | 149.6 | 109.8 | -90.2 | -19.3 | 0 | 0 | 0 | 115 | |||||
| 420 | N | 32 | Very low | 31.6 | Very low | 137 Ų | 137 | 130.3 Ų | 130.3 | 73% | 0.733 | 78% | 0.781 | S | S | * | * | trans | -65.2 | 149.6 | -173.9 | -65.8 | -49.9 | 0 | 0 | 0 | 115.7 | ||||
| 421 | N | 34.2 | Very low | 31.6 | Very low | 148 Ų | 148 | 129.5 Ų | 129.5 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | 165 | 121.6 | 110.1 | -89 | -28 | 0 | 0 | 0 | 114.3 | |||||
| 422 | S | 31.9 | Very low | 31.9 | Very low | 105 Ų | 105 | 130.4 Ų | 130.4 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | trans | 46.6 | 117 | 139.8 | 62.7 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 423 | S | 36.3 | Very low | 33.2 | Very low | 124 Ų | 124 | 129.7 Ų | 129.7 | 87% | 0.867 | 77% | 0.769 | S | S | * | * | -173.2 | 130 | 109.9 | 19.8 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 424 | E | 30.3 | Very low | 34.8 | Very low | 190 Ų | 190 | 126.4 Ų | 126.4 | 89% | 0.888 | 75% | 0.754 | S | S | * | * | trans | -69.8 | 138.9 | -178.1 | -62.2 | 173.4 | 153.2 | 0 | 0 | 112.5 | ||||
| 425 | T | 31.8 | Very low | 37.4 | Very low | 119 Ų | 119 | 122.2 Ų | 122.2 | 73% | 0.73 | 73% | 0.734 | S | S | * | * | trans | -139.2 | 124.6 | 148 | 39.8 | 0 | 0 | 0 | 0 | 108.7 | I427 | T425-I427 PolarHBondContact O-N 3.08Š| ||
| 426 | P | 28.2 | Very low | 40.5 | Very low | 132 Ų | 132 | 116.5 Ų | 116.5 | 86% | 0.857 | 70% | 0.699 | S | S | * | * | trans | -85.2 | 107.2 | 179.3 | 31.6 | -27.7 | 0 | 0 | 0 | 108.9 | ||||
| 427 | I | 34.8 | Very low | 43.3 | Very low | 152 Ų | 152 | 112.2 Ų | 112.2 | 78% | 0.779 | 67% | 0.673 | S | S | * | * | trans | -105.2 | 111.4 | 168.6 | -56.9 | 179.2 | 0 | 0 | 0 | 108.1 | T425 | T425-I427 PolarHBondContact O-N 3.08Š| ||
| 428 | S | 28.3 | Very low | 46.3 | Very low | 118 Ų | 118 | 107.4 Ų | 107.4 | 83% | 0.825 | 65% | 0.649 | S | S | * | * | trans | -42.6 | 130.8 | 170.6 | 49.8 | 0 | 0 | 0 | 0 | 115 | ||||
| 429 | G | 29.1 | Very low | 49.4 | Very low | 60 Ų | 60 | 108.8 Ų | 108.8 | 62% | 0.619 | 64% | 0.644 | S | S | * | * | trans | 155.9 | 88.4 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | V431 | G429-V431 PolarHBondContact O-N 2.93Š| ||
| 430 | D | 29.6 | Very low | 52.5 | Low | 168 Ų | 168 | 101.5 Ų | 101.5 | 90% | 0.898 | 61% | 0.606 | S | S | * | * | trans | -68.9 | 77.7 | 175.8 | -166.7 | 11.9 | 0 | 0 | 0 | 110.3 | ||||
| 431 | V | 35 | Very low | 55.6 | Low | 121 Ų | 121 | 95.1 Ų | 95.1 | 73% | 0.733 | 57% | 0.571 | S | S | * | * | trans | -101.3 | 71.8 | -179.4 | -173.7 | 0 | 0 | 0 | 0 | 108 | G429 | G429-V431 PolarHBondContact O-N 2.93Š| ||
| 432 | N | 38.4 | Very low | 58.6 | Low | 131 Ų | 131 | 89.8 Ų | 89.8 | 70% | 0.701 | 54% | 0.542 | S | S | * | . | trans | -173.2 | 69.6 | 167.5 | -92 | -30.4 | 0 | 0 | 0 | 113.9 | V434 | N432-V434 HydrophobicContact CB-CG2 3.92Å; N432-V434 PolarHBondContact O-N 2.9Å | ||
| 433 | S | 54.3 | Low | 61.7 | Low | 82 Ų | 82 | 85.7 Ų | 85.7 | 57% | 0.573 | 51% | 0.511 | S | S | * | . | trans | -87.4 | 94.4 | 151.4 | 174.9 | 0 | 0 | 0 | 0 | 108.4 | R508 | S433-R508 PolarHBondContact O-NE 3.08Å; S433-R508 PolarHBondContact O-NH2 3.45Å; S433-R508 PolarHBondContact OG-NH2 2.98Å | ||
| 434 | V | 66.9 | Low | 64.6 | Low | 84 Ų | 84 | 79.8 Ų | 79.8 | 51% | 0.509 | 47% | 0.47 | S | S | . | . | trans | -78.5 | -21.6 | -164 | 176.7 | 0 | 0 | 0 | 0 | 113.7 | N432 R511 | N432-V434 HydrophobicContact CB-CG2 3.92Å; N432-V434 PolarHBondContact O-N 2.9Å; V434-R511 PolarHBondContact O-NH1 3.12Å | ||
| 435 | A | 86.8 | Confident | 67.9 | Low | 49 Ų | 49 | 70.8 Ų | 70.8 | 41% | 0.405 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -96 | 155.6 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | L374 R508 | L374-A435 HydrophobicContact CD2-CB 4.36Å; A435-R508 WeakPolarHBondContact O-CD 3.48Å; A435-R508 PolarHBondContact O-NE 2.76Å |
| 436 | V | 92.3 | Very high | 71 | Confident | 7 Ų | 7 | 65.1 Ų | 65.1 | 4% | 0.042 | 39% | 0.393 | C | S | . | . | trans | -62.3 | 135.9 | 166.4 | 175.9 | 0 | 0 | 0 | 0 | 109.2 | L370 D440 L441 R508 I509 L512 | L370-V436 HydrophobicContact CD1-CB 4.32Å; L370-V436 HydrophobicContact CD1-CG1 4.08Å; L370-V436 WeakPolarHBondContact CD1-O 3.36Å; V436-D440 HydrophobicContact CG1-CB 4.1Å; V436-L441 HydrophobicContact CG1-CD2 3.82Å; V436-L441 HydrophobicContact CG1-CG 3.83Å; V436-R508 HydrophobicContact CG2-CB 3.7Å; V436-I509 HydrophobicContact CG2-CG1 4.47Å; V436-L512 HydrophobicContact CB-CD2 4.25Å; V436-L512 HydrophobicContact CG2-CD2 3.64Å; V436-L512 HydrophobicContact CG2-CG 4.02Å | ||
| 437 | T | 94.3 | Very high | 74.3 | Confident | 36 Ų | 36 | 59.9 Ų | 59.9 | 22% | 0.221 | 36% | 0.358 | C | S | . | . | trans | -105.9 | 173.2 | 176.5 | 79.2 | 0 | 0 | 0 | 0 | 112.4 | E439 D440 L441 | T437-E439 VanDerWaalsContact C-N 3.32Å; T437-E439 WeakPolarHBondContact CB-OE2 3.29Å; T437-E439 PolarHBondContact OG1-N 3.39Å; T437-E439 PolarHBondContact OG1-OE2 3.36Å; T437-D440 PolarHBondContact N-OD2 2.49Å; T437-D440 WeakPolarHBondContact O-CB 3.38Å; T437-D440 PolarHBondContact O-N 3.34Å; T437-D440 PolarHBondContact OG1-N 2.89Å; T437-L441 PolarHBondContact O-N 2.84Å | ||
| 438 | L | 95.8 | Very high | 77.3 | Confident | 35 Ų | 35 | 53.5 Ų | 53.5 | 18% | 0.183 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -66.7 | -37.9 | 175.3 | -179.6 | 59.8 | 0 | 0 | 0 | 111.1 | L366 R367 L370 D440 L441 E442 | L366-L438 HydrophobicContact CB-CD1 3.79Å; R367-L438 HydrophobicContact CB-CD1 4.33Å; L370-L438 HydrophobicContact CD2-CB 4.15Å; L438-D440 VanDerWaalsContact C-N 3.32Å; L438-D440 PolarHBondContact O-N 2.62Å; L438-L441 PolarHBondContact O-N 2.86Å; L438-E442 WeakPolarHBondContact O-CG 3.42Å; L438-E442 PolarHBondContact O-N 3.4Å |
| 439 | E | 95.9 | Very high | 80.6 | Confident | 127 Ų | 127 | 49.4 Ų | 49.4 | 59% | 0.593 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -64.6 | -37.6 | 176.9 | -56.9 | 74.9 | -162.3 | 0 | 0 | 111.5 | T437 L441 E442 M443 | T437-E439 VanDerWaalsContact C-N 3.32Å; T437-E439 WeakPolarHBondContact CB-OE2 3.29Å; T437-E439 PolarHBondContact OG1-N 3.39Å; T437-E439 PolarHBondContact OG1-OE2 3.36Å; E439-L441 VanDerWaalsContact C-N 3.31Å; E439-L441 PolarHBondContact O-N 3.39Å; E439-E442 PolarHBondContact O-N 2.88Å; E439-M443 PolarHBondContact O-N 3.13Å |
| 440 | D | 96.1 | Very high | 83.9 | Confident | 7 Ų | 7 | 47.4 Ų | 47.4 | 4% | 0.037 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.3 | -44.3 | 173 | -69.4 | -25.7 | 0 | 0 | 0 | 110.8 | V436 T437 L438 F444 I505 R508 | V436-D440 HydrophobicContact CG1-CB 4.1Å; T437-D440 PolarHBondContact N-OD2 2.49Å; T437-D440 WeakPolarHBondContact O-CB 3.38Å; T437-D440 PolarHBondContact O-N 3.34Å; T437-D440 PolarHBondContact OG1-N 2.89Å; L438-D440 VanDerWaalsContact C-N 3.32Å; L438-D440 PolarHBondContact O-N 2.62Å; D440-F444 WeakPolarHBondContact O-CB 3.19Å; D440-F444 PolarHBondContact O-N 2.73Å; D440-I505 HydrophobicContact CB-CD1 4.49Å; D440-I505 HydrophobicContact CB-CG1 3.9Å; D440-R508 VanDerWaalsContact CG-NH1 3.35Å; D440-R508 IonicContact OD1-NH1 3.91Å; D440-R508 PolarHBondContact OD1-NH1 3.35Å; D440-R508 WeakPolarHBondContact OD2-CD 3.42Å; D440-R508 IonicContact OD2-CZ 2.66Å; D440-R508 IonicContact OD2-NE 3.51Å; D440-R508 IonicContact OD2-NH1 3.62Å; D440-R508 PolarHBondContact OD2-NH1 2.89Å |
| 441 | L | 96.8 | Very high | 87 | Confident | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -72 | -33.8 | 178.2 | -67.5 | -175.8 | 0 | 0 | 0 | 113 | L366 L370 M373 V436 T437 L438 E439 F444 A445 | L366-L441 HydrophobicContact CB-CB 4.5Å; L366-L441 HydrophobicContact CD2-CB 4.28Å; L370-L441 HydrophobicContact CB-CD1 3.76Å; L370-L441 HydrophobicContact CD1-CD1 3.99Å; L370-L441 HydrophobicContact CG-CD1 4.39Å; M373-L441 HydrophobicContact CE-CD2 4.02Å; M373-L441 HydrophobicContact SD-CD1 4.38Å; M373-L441 HydrophobicContact SD-CD2 4.18Å; V436-L441 HydrophobicContact CG1-CD2 3.82Å; V436-L441 HydrophobicContact CG1-CG 3.83Å; T437-L441 PolarHBondContact O-N 2.84Å; L438-L441 PolarHBondContact O-N 2.86Å; E439-L441 VanDerWaalsContact C-N 3.31Å; E439-L441 PolarHBondContact O-N 3.39Å; L441-F444 PolarHBondContact O-N 3.22Å; L441-A445 WeakPolarHBondContact O-CB 3.49Å; L441-A445 PolarHBondContact O-N 2.94Å |
| 442 | E | 97.7 | Very high | 89.7 | Confident | 36 Ų | 36 | 38.4 Ų | 38.4 | 17% | 0.168 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63 | -46.1 | 173 | -75.7 | -168.1 | -174.6 | 0 | 0 | 110.9 | R363 L366 L438 E439 A445 D446 | R363-E442 WeakPolarHBondContact CD-OE1 3.3Å; R363-E442 WeakPolarHBondContact CG-OE1 3.38Å; R363-E442 IonicContact CZ-OE1 2.81Å; R363-E442 IonicContact CZ-OE2 2.93Å; R363-E442 IonicContact NE-OE1 4Å; R363-E442 PolarHBondContact NE-OE1 3.29Å; R363-E442 IonicContact NE-OE2 2.9Å; R363-E442 PolarHBondContact NE-OE2 3.22Å; R363-E442 IonicContact NH2-OE2 3.31Å; R363-E442 PolarHBondContact NH2-OE2 3.1Å; L366-E442 HydrophobicContact CD1-CB 4.46Å; L366-E442 HydrophobicContact CD1-CG 3.91Å; L438-E442 WeakPolarHBondContact O-CG 3.42Å; L438-E442 PolarHBondContact O-N 3.4Å; E439-E442 PolarHBondContact O-N 2.88Å; E442-A445 PolarHBondContact O-N 3.24Å; E442-D446 WeakPolarHBondContact O-CB 3.44Å; E442-D446 VanDerWaalsContact O-CG 3.27Å; E442-D446 PolarHBondContact O-N 2.9Å |
| 443 | M | 97.3 | Very high | 92.2 | Very high | 20 Ų | 20 | 34.7 Ų | 34.7 | 10% | 0.099 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.9 | -43.7 | 174.8 | -179.4 | 70.1 | -175.7 | 0 | 0 | 111.5 | E439 D446 L447 S457 M498 I502 I505 | E439-M443 PolarHBondContact O-N 3.13Å; M443-D446 PolarHBondContact O-N 3.24Å; M443-L447 HydrophobicContact CE-CD1 4.38Å; M443-L447 HydrophobicContact CE-CD2 4.24Å; M443-L447 HydrophobicContact CE-CG 4.38Å; M443-L447 HydrophobicContact CG-CD1 4.49Å; M443-L447 WeakPolarHBondContact O-CG 3.35Å; M443-L447 PolarHBondContact O-N 3.36Å; M443-L447 VanDerWaalsContact O-N 3.08Å; M443-S457 WeakPolarHBondContact SD-CB 3.23Å; M443-M498 HydrophobicContact CE-CE 4.17Å; M443-I502 HydrophobicContact CE-CD1 3.94Å; M443-I502 HydrophobicContact CE-CG1 3.78Å; M443-I505 HydrophobicContact CB-CD1 3.67Å; M443-I505 HydrophobicContact CG-CD1 3.53Å |
| 444 | F | 97.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.8 | -47 | 176.9 | -178.5 | -91.9 | 0 | 0 | 0 | 112 | I247 D440 L441 D446 L447 F448 I505 I509 L521 I525 | I247-F444 HydrophobicContact CD1-CE1 4.48Å; I247-F444 HydrophobicContact CG1-CE1 3.95Å; I247-F444 HydrophobicContact CG2-CD1 4.47Å; D440-F444 WeakPolarHBondContact O-CB 3.19Å; D440-F444 PolarHBondContact O-N 2.73Å; L441-F444 PolarHBondContact O-N 3.22Å; F444-D446 VanDerWaalsContact C-N 3.3Å; F444-D446 PolarHBondContact O-N 2.76Å; F444-L447 PolarHBondContact O-N 2.66Å; F444-F448 HydrophobicContact CD1-CD2 4.44Å; F444-F448 HydrophobicContact CD2-CD2 4.14Å; F444-F448 HydrophobicContact CD2-CE2 4.13Å; F444-F448 HydrophobicContact CE1-CD2 4.19Å; F444-F448 AromaticContact CE2-CD2 3.87Å; F444-F448 HydrophobicContact CE2-CD2 3.87Å; F444-F448 AromaticContact CE2-CE2 3.76Å; F444-F448 HydrophobicContact CE2-CE2 3.76Å; F444-F448 HydrophobicContact CG-CD2 4.41Å; F444-F448 AromaticContact CZ-CD2 3.87Å; F444-F448 HydrophobicContact CZ-CD2 3.87Å; F444-F448 HydrophobicContact CZ-CE2 4.13Å; F444-F448 WeakPolarHBondContact O-CD2 3.41Å; F444-F448 PolarHBondContact O-N 3.01Å; F444-F448 VanDerWaalsContact O-N 3.16Å; F444-I505 HydrophobicContact CB-CG2 4.42Å; F444-I505 HydrophobicContact CD2-CG2 4.3Å; F444-I509 HydrophobicContact CD2-CD1 3.53Å; F444-I509 HydrophobicContact CE2-CD1 3.66Å; F444-I509 HydrophobicContact CG-CD1 4.27Å; F444-I509 HydrophobicContact CZ-CD1 4.49Å; F444-L521 HydrophobicContact CE1-CD1 4.21Å; F444-L521 HydrophobicContact CE1-CD2 4.21Å; F444-L521 HydrophobicContact CE2-CB 4.49Å; F444-L521 HydrophobicContact CZ-CB 4.02Å; F444-L521 HydrophobicContact CZ-CD1 4.09Å; F444-L521 HydrophobicContact CZ-CD2 3.94Å; F444-L521 HydrophobicContact CZ-CG 4.22Å; F444-I525 HydrophobicContact CD2-CB 4.43Å; F444-I525 HydrophobicContact CD2-CD1 4.11Å; F444-I525 HydrophobicContact CD2-CG1 4.42Å; F444-I525 HydrophobicContact CE2-CB 4Å; F444-I525 HydrophobicContact CE2-CD1 4.45Å; F444-I525 HydrophobicContact CE2-CG1 4.48Å |
| 445 | A | 98.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.8 | -34.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | I247 L362 L366 L441 E442 L447 F448 Y449 | I247-A445 HydrophobicContact CB-CB 4.39Å; I247-A445 HydrophobicContact CG2-CB 3.91Å; L362-A445 HydrophobicContact CD1-CB 4.29Å; L362-A445 HydrophobicContact CD2-CB 4.39Å; L366-A445 HydrophobicContact CD1-CB 4.08Å; L366-A445 HydrophobicContact CD2-CB 4.26Å; L441-A445 WeakPolarHBondContact O-CB 3.49Å; L441-A445 PolarHBondContact O-N 2.94Å; E442-A445 PolarHBondContact O-N 3.24Å; A445-L447 VanDerWaalsContact C-N 3.34Å; A445-F448 CarbonylContact O-C 3.27Å; A445-F448 VanDerWaalsContact O-C 3.27Å; A445-F448 PolarHBondContact O-N 3.46Å; A445-Y449 VanDerWaalsContact O-CA 3.27Å; A445-Y449 WeakPolarHBondContact O-CA 3.36Å; A445-Y449 WeakPolarHBondContact O-CB 3.43Å; A445-Y449 PolarHBondContact O-N 3.48Å |
| 446 | D | 98.2 | Very high | 95.9 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -68.3 | -32.9 | 176.9 | -76.5 | 1 | 0 | 0 | 0 | 112.2 | R359 E442 M443 F444 G455 S457 A458 | R359-D446 IonicContact CZ-OD1 3.45Å; R359-D446 IonicContact NH1-OD1 3.79Å; R359-D446 IonicContact NH2-OD1 3.2Å; R359-D446 PolarHBondContact NH2-OD1 2.7Å; R359-D446 IonicContact NH2-OD2 2.99Å; R359-D446 PolarHBondContact NH2-OD2 3.4Å; E442-D446 WeakPolarHBondContact O-CB 3.44Å; E442-D446 VanDerWaalsContact O-CG 3.27Å; E442-D446 PolarHBondContact O-N 2.9Å; M443-D446 PolarHBondContact O-N 3.24Å; F444-D446 VanDerWaalsContact C-N 3.3Å; F444-D446 PolarHBondContact O-N 2.76Å; D446-G455 WeakPolarHBondContact O-CA 3.38Å; D446-G455 PolarHBondContact O-N 3.12Å; D446-S457 WeakPolarHBondContact OD2-CB 3.07Å; D446-S457 PolarHBondContact OD2-N 2.95Å; D446-S457 VanDerWaalsContact OD2-N 3.07Å; D446-S457 PolarHBondContact OD2-OG 3.43Å; D446-A458 WeakPolarHBondContact O-CB 3.42Å |
| 447 | L | 97.2 | Very high | 96.1 | Very high | 22 Ų | 22 | 34.2 Ų | 34.2 | 12% | 0.115 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -69 | -40.2 | 173.6 | -66.8 | 166.9 | 0 | 0 | 0 | 112 | M443 F444 A445 A458 I502 I525 V528 | M443-L447 HydrophobicContact CE-CD1 4.38Å; M443-L447 HydrophobicContact CE-CD2 4.24Å; M443-L447 HydrophobicContact CE-CG 4.38Å; M443-L447 HydrophobicContact CG-CD1 4.49Å; M443-L447 WeakPolarHBondContact O-CG 3.35Å; M443-L447 PolarHBondContact O-N 3.36Å; M443-L447 VanDerWaalsContact O-N 3.08Å; F444-L447 PolarHBondContact O-N 2.66Å; A445-L447 VanDerWaalsContact C-N 3.34Å; L447-A458 HydrophobicContact CD2-CB 4.14Å; L447-I502 HydrophobicContact CD1-CD1 4.26Å; L447-I502 HydrophobicContact CD1-CG1 4.08Å; L447-I502 HydrophobicContact CD2-CD1 4.24Å; L447-I525 HydrophobicContact CD1-CD1 3.97Å; L447-V528 HydrophobicContact CD1-CG1 4.38Å; L447-V528 HydrophobicContact CD2-CG1 4.28Å |
| 448 | F | 97.8 | Very high | 96.2 | Very high | 17 Ų | 17 | 32.8 Ų | 32.8 | 8% | 0.075 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.3 | 60.7 | -175.9 | -61.2 | -68.8 | 0 | 0 | 0 | 111.4 | V245 I247 F444 A445 Y524 I525 V528 | V245-F448 HydrophobicContact CG1-CB 3.91Å; V245-F448 HydrophobicContact CG1-CD1 3.59Å; V245-F448 HydrophobicContact CG1-CE1 4.26Å; V245-F448 HydrophobicContact CG1-CG 3.75Å; V245-F448 WeakPolarHBondContact O-CB 3.26Å; I247-F448 WeakPolarHBondContact CA-O 3.26Å; I247-F448 WeakPolarHBondContact CB-O 3.5Å; I247-F448 HydrophobicContact CG1-CB 4.04Å; I247-F448 PolarHBondContact N-O 3.46Å; F444-F448 HydrophobicContact CD1-CD2 4.44Å; F444-F448 HydrophobicContact CD2-CD2 4.14Å; F444-F448 HydrophobicContact CD2-CE2 4.13Å; F444-F448 HydrophobicContact CE1-CD2 4.19Å; F444-F448 AromaticContact CE2-CD2 3.87Å; F444-F448 HydrophobicContact CE2-CD2 3.87Å; F444-F448 AromaticContact CE2-CE2 3.76Å; F444-F448 HydrophobicContact CE2-CE2 3.76Å; F444-F448 HydrophobicContact CG-CD2 4.41Å; F444-F448 AromaticContact CZ-CD2 3.87Å; F444-F448 HydrophobicContact CZ-CD2 3.87Å; F444-F448 HydrophobicContact CZ-CE2 4.13Å; F444-F448 WeakPolarHBondContact O-CD2 3.41Å; F444-F448 PolarHBondContact O-N 3.01Å; F444-F448 VanDerWaalsContact O-N 3.16Å; A445-F448 CarbonylContact O-C 3.27Å; A445-F448 VanDerWaalsContact O-C 3.27Å; A445-F448 PolarHBondContact O-N 3.46Å; F448-Y524 WeakPolarHBondContact CZ-O 3.32Å; F448-I525 HydrophobicContact CE2-CB 4.46Å; F448-I525 HydrophobicContact CE2-CD1 4.19Å; F448-V528 HydrophobicContact CE1-CG2 3.74Å; F448-V528 HydrophobicContact CE2-CG2 4.44Å; F448-V528 HydrophobicContact CZ-CB 4.25Å; F448-V528 HydrophobicContact CZ-CG2 3.43Å; F448-V528 VanDerWaalsContact CZ-CG2 3.43Å |
| 449 | Y | 98.2 | Very high | 96.1 | Very high | 33 Ų | 33 | 34.2 Ų | 34.2 | 13% | 0.129 | 18% | 0.178 | C | C | . | . | trans | -85.2 | -91.9 | -163.3 | -165.8 | -109 | 0 | 0 | 0 | 114.3 | I247 G248 P249 L362 A445 S453 | I247-Y449 PolarHBondContact N-O 3.35Å; G248-Y449 VanDerWaalsContact CA-O 3.26Å; G248-Y449 WeakPolarHBondContact CA-O 3.4Å; G248-Y449 PolarHBondContact N-O 2.95Å; P249-Y449 VanDerWaalsContact CD-CE2 3.45Å; P249-Y449 HydrophobicContact CG-CE2 4.39Å; L362-Y449 HydrophobicContact CD2-CE2 3.87Å; A445-Y449 VanDerWaalsContact O-CA 3.27Å; A445-Y449 WeakPolarHBondContact O-CA 3.36Å; A445-Y449 WeakPolarHBondContact O-CB 3.43Å; A445-Y449 PolarHBondContact O-N 3.48Å; Y449-S453 WeakPolarHBondContact CD1-O 3.49Å | ||
| 450 | L | 97.9 | Very high | 96.1 | Very high | 18 Ų | 18 | 33 Ų | 33 | 9% | 0.094 | 17% | 0.168 | C | C | . | . | B | Isolated β-bridge | trans | -132.9 | 165.2 | -176.9 | -70.9 | 178.4 | 0 | 0 | 0 | 111.2 | L235 F452 S453 | L235-L450 HydrophobicContact CD1-CD2 4.37Å; L235-L450 HydrophobicContact CD2-CD2 4.49Å; L235-L450 HydrophobicContact CG-CD2 4.29Å; L450-F452 PolarHBondContact O-N 3.15Å; L450-F452 VanDerWaalsContact O-N 3.09Å; L450-S453 PolarHBondContact N-O 3.17Å; L450-S453 PolarHBondContact O-N 3.33Å |
| 451 | P | 94.1 | Very high | 96 | Very high | 12 Ų | 12 | 33.2 Ų | 33.2 | 8% | 0.078 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -24.1 | -176.1 | -25.9 | 33.4 | 0 | 0 | 0 | 115.7 | V209 L235 R244 F246 | V209-P451 HydrophobicContact CG1-CB 4.18Å; V209-P451 HydrophobicContact CG1-CG 4.13Å; L235-P451 WeakPolarHBondContact O-CD 3.29Å; L235-P451 WeakPolarHBondContact O-CG 3.29Å; R244-P451 VanDerWaalsContact NH2-C 3.29Å; R244-P451 PolarHBondContact NH2-O 3.17Å; F246-P451 HydrophobicContact CD1-CG 4.05Å; F246-P451 HydrophobicContact CD2-CG 4.34Å; F246-P451 VanDerWaalsContact CE1-CA 3.5Å; F246-P451 HydrophobicContact CE1-CB 4.08Å; F246-P451 HydrophobicContact CE1-CG 3.83Å; F246-P451 HydrophobicContact CE2-CG 4.14Å; F246-P451 HydrophobicContact CG-CG 4.3Å; F246-P451 HydrophobicContact CZ-CB 4.09Å; F246-P451 HydrophobicContact CZ-CG 3.85Å |
| 452 | F | 92.7 | Very high | 95.7 | Very high | 87 Ų | 87 | 37.3 Ų | 37.3 | 38% | 0.382 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -121.4 | 7.2 | -172.4 | -51.4 | -74.1 | 0 | 0 | 0 | 113.8 | V209 K211 L450 | V209-F452 HydrophobicContact CB-CZ 4.17Å; V209-F452 HydrophobicContact CG1-CE2 3.8Å; V209-F452 HydrophobicContact CG1-CZ 3.73Å; V209-F452 WeakPolarHBondContact O-CZ 3.26Å; K211-F452 HydrophobicContact CB-CD1 4.48Å; K211-F452 HydrophobicContact CB-CD2 3.59Å; K211-F452 HydrophobicContact CB-CE2 3.82Å; K211-F452 HydrophobicContact CB-CG 3.95Å; K211-F452 HydrophobicContact CB-CZ 4.37Å; K211-F452 HydrophobicContact CD-CB 4.01Å; K211-F452 HydrophobicContact CD-CG 4.21Å; K211-F452 HydrophobicContact CG-CB 4Å; K211-F452 HydrophobicContact CG-CD2 3.81Å; K211-F452 HydrophobicContact CG-CG 3.93Å; L450-F452 PolarHBondContact O-N 3.15Å; L450-F452 VanDerWaalsContact O-N 3.09Å |
| 453 | S | 90.6 | Very high | 95.5 | Very high | 53 Ų | 53 | 41.4 Ų | 41.4 | 37% | 0.371 | 21% | 0.21 | S | C | . | . | B | Isolated β-bridge | trans | -161.7 | 142.7 | -178.5 | 58.3 | 0 | 0 | 0 | 0 | 111 | Y449 L450 | Y449-S453 WeakPolarHBondContact CD1-O 3.49Å; L450-S453 PolarHBondContact N-O 3.17Å; L450-S453 PolarHBondContact O-N 3.33Å |
| 454 | H | 93.5 | Very high | 95.3 | Very high | 104 Ų | 104 | 41.1 Ų | 41.1 | 48% | 0.481 | 21% | 0.209 | S | C | . | . | trans | -84.3 | 162.3 | 166.1 | -61 | -66.9 | 0 | 0 | 0 | 110.9 | A458 I459 | H454-A458 HydrophobicContact CB-CB 3.91Å; H454-I459 HydrophobicContact CB-CG1 3.98Å | ||
| 455 | G | 95.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -80.1 | 166.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | D446 S457 A458 I459 | D446-G455 WeakPolarHBondContact O-CA 3.38Å; D446-G455 PolarHBondContact O-N 3.12Å; G455-S457 VanDerWaalsContact C-N 3.29Å; G455-S457 PolarHBondContact O-N 3.35Å; G455-S457 VanDerWaalsContact O-N 3.16Å; G455-A458 PolarHBondContact O-N 3.25Å; G455-I459 PolarHBondContact O-N 3.38Å | ||
| 456 | P | 96.4 | Very high | 94.3 | Very high | 74 Ų | 74 | 45.3 Ų | 45.3 | 48% | 0.481 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -53.5 | -40.6 | -173.2 | -29.2 | 35.6 | 0 | 0 | 0 | 114.6 | A458 I459 R460 | P456-A458 PolarHBondContact O-N 3.34Å; P456-I459 PolarHBondContact O-N 3.06Å; P456-R460 PolarHBondContact O-N 3.13Å |
| 457 | S | 96.5 | Very high | 93.9 | Very high | 34 Ų | 34 | 47.3 Ų | 47.3 | 24% | 0.238 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -69.3 | -34.2 | -178.9 | -49.1 | 0 | 0 | 0 | 0 | 112.9 | M443 D446 G455 L461 M498 | M443-S457 WeakPolarHBondContact SD-CB 3.23Å; D446-S457 WeakPolarHBondContact OD2-CB 3.07Å; D446-S457 PolarHBondContact OD2-N 2.95Å; D446-S457 VanDerWaalsContact OD2-N 3.07Å; D446-S457 PolarHBondContact OD2-OG 3.43Å; G455-S457 VanDerWaalsContact C-N 3.29Å; G455-S457 PolarHBondContact O-N 3.35Å; G455-S457 VanDerWaalsContact O-N 3.16Å; S457-L461 PolarHBondContact O-N 2.82Å; S457-L461 VanDerWaalsContact O-N 3.15Å; S457-M498 WeakPolarHBondContact O-CE 3.23Å |
| 458 | A | 95.2 | Very high | 93.5 | Very high | 7 Ų | 7 | 46.3 Ų | 46.3 | 6% | 0.058 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -73.5 | -38.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | D446 L447 H454 G455 P456 L461 L462 | D446-A458 WeakPolarHBondContact O-CB 3.42Å; L447-A458 HydrophobicContact CD2-CB 4.14Å; H454-A458 HydrophobicContact CB-CB 3.91Å; G455-A458 PolarHBondContact O-N 3.25Å; P456-A458 PolarHBondContact O-N 3.34Å; A458-L461 WeakPolarHBondContact O-CB 3.23Å; A458-L461 PolarHBondContact O-N 3.31Å; A458-L462 WeakPolarHBondContact O-CG 3.33Å; A458-L462 PolarHBondContact O-N 3.37Å |
| 459 | I | 94.1 | Very high | 92.7 | Very high | 64 Ų | 64 | 49 Ų | 49 | 33% | 0.328 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -58 | -49.4 | 172.2 | -65.7 | 171.9 | 0 | 0 | 0 | 109.9 | H454 G455 P456 L461 L462 E463 | H454-I459 HydrophobicContact CB-CG1 3.98Å; G455-I459 PolarHBondContact O-N 3.38Å; P456-I459 PolarHBondContact O-N 3.06Å; I459-L461 VanDerWaalsContact C-N 3.27Å; I459-L461 PolarHBondContact O-N 3Å; I459-L462 PolarHBondContact O-N 3.02Å; I459-L462 VanDerWaalsContact O-N 3.1Å; I459-E463 HydrophobicContact CG2-CG 4.19Å; I459-E463 WeakPolarHBondContact O-CG 3.16Å; I459-E463 PolarHBondContact O-N 3.08Å |
| 460 | R | 96.2 | Very high | 91.9 | Very high | 102 Ų | 102 | 53.4 Ų | 53.4 | 39% | 0.385 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -56.4 | -40.9 | 176.4 | -174.3 | -178.5 | -171.1 | -93.9 | -3 | 112.5 | P456 L464 D494 M498 | P456-R460 PolarHBondContact O-N 3.13Å; R460-L464 HydrophobicContact CG-CD1 4.1Å; R460-L464 HydrophobicContact CG-CG 4.49Å; R460-L464 WeakPolarHBondContact O-CB 3.04Å; R460-L464 VanDerWaalsContact O-CG 3.29Å; R460-L464 WeakPolarHBondContact O-CG 3.4Å; R460-L464 PolarHBondContact O-N 2.9Å; R460-D494 IonicContact CZ-OD2 3.67Å; R460-D494 IonicContact NH2-OD2 3.9Å; R460-D494 PolarHBondContact NH2-OD2 2.98Å; R460-M498 HydrophobicContact CB-CE 4.3Å; R460-M498 HydrophobicContact CG-CE 4.41Å; R460-M498 HydrophobicContact CG-SD 4.29Å; R460-M498 PolarHBondContact NH1-SD 3.19Å |
| 461 | L | 94 | Very high | 91.2 | Very high | 12 Ų | 12 | 55.4 Ų | 55.4 | 6% | 0.063 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.8 | -43.5 | 178.4 | -173 | 67.4 | 0 | 0 | 0 | 111.4 | S457 A458 I459 G465 Y495 M498 I502 V532 | S457-L461 PolarHBondContact O-N 2.82Å; S457-L461 VanDerWaalsContact O-N 3.15Å; A458-L461 WeakPolarHBondContact O-CB 3.23Å; A458-L461 PolarHBondContact O-N 3.31Å; I459-L461 VanDerWaalsContact C-N 3.27Å; I459-L461 PolarHBondContact O-N 3Å; L461-G465 PolarHBondContact O-N 3.22Å; L461-Y495 HydrophobicContact CD1-CD2 3.81Å; L461-Y495 HydrophobicContact CD1-CE2 3.51Å; L461-Y495 HydrophobicContact CG-CE2 4.05Å; L461-Y495 WeakPolarHBondContact O-CE2 3.27Å; L461-M498 HydrophobicContact CB-CE 3.68Å; L461-M498 HydrophobicContact CD1-CB 3.89Å; L461-M498 HydrophobicContact CD1-CE 4.05Å; L461-M498 HydrophobicContact CD1-SD 4.14Å; L461-M498 HydrophobicContact CG-CE 4.44Å; L461-I502 HydrophobicContact CD2-CD1 3.96Å; L461-V532 HydrophobicContact CD2-CG1 3.85Å |
| 462 | L | 91.2 | Very high | 90.6 | Very high | 87 Ų | 87 | 56.4 Ų | 56.4 | 46% | 0.455 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -66.7 | -48.7 | 178 | -68.1 | 171 | 0 | 0 | 0 | 111.4 | A458 I459 L464 G465 H466 | A458-L462 WeakPolarHBondContact O-CG 3.33Å; A458-L462 PolarHBondContact O-N 3.37Å; I459-L462 PolarHBondContact O-N 3.02Å; I459-L462 VanDerWaalsContact O-N 3.1Å; L462-L464 VanDerWaalsContact C-N 3.34Å; L462-L464 PolarHBondContact O-N 2.8Å; L462-G465 PolarHBondContact O-N 3Å; L462-G465 VanDerWaalsContact O-N 3.11Å; L462-H466 PolarHBondContact O-CD2 2.83Å; L462-H466 PolarHBondContact O-N 2.88Å |
| 463 | E | 92.6 | Very high | 90 | Very high | 123 Ų | 123 | 58.9 Ų | 58.9 | 58% | 0.575 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -56.7 | -45.7 | 177.2 | -72 | 174.4 | 163.2 | 0 | 0 | 112.1 | I459 H466 W467 | I459-E463 HydrophobicContact CG2-CG 4.19Å; I459-E463 WeakPolarHBondContact O-CG 3.16Å; I459-E463 PolarHBondContact O-N 3.08Å; E463-H466 PolarHBondContact O-N 3.27Å; E463-W467 WeakPolarHBondContact O-CB 3.37Å; E463-W467 PolarHBondContact O-N 2.99Å |
| 464 | L | 93.6 | Very high | 89.5 | Confident | 14 Ų | 14 | 56.4 Ų | 56.4 | 7% | 0.073 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61 | -44.8 | 175.1 | -76.6 | 171.5 | 0 | 0 | 0 | 111.5 | R460 L462 W467 L468 K491 D494 Y495 M498 | R460-L464 HydrophobicContact CG-CD1 4.1Å; R460-L464 HydrophobicContact CG-CG 4.49Å; R460-L464 WeakPolarHBondContact O-CB 3.04Å; R460-L464 VanDerWaalsContact O-CG 3.29Å; R460-L464 WeakPolarHBondContact O-CG 3.4Å; R460-L464 PolarHBondContact O-N 2.9Å; L462-L464 VanDerWaalsContact C-N 3.34Å; L462-L464 PolarHBondContact O-N 2.8Å; L464-W467 PolarHBondContact O-N 3.48Å; L464-L468 WeakPolarHBondContact O-CB 3.5Å; L464-L468 VanDerWaalsContact O-CG 3.25Å; L464-L468 WeakPolarHBondContact O-CG 3.46Å; L464-L468 PolarHBondContact O-N 2.84Å; L464-K491 HydrophobicContact CD2-CB 4.05Å; L464-K491 HydrophobicContact CD2-CD 4.31Å; L464-K491 HydrophobicContact CD2-CG 3.98Å; L464-D494 HydrophobicContact CD1-CB 4.17Å; L464-Y495 HydrophobicContact CB-CD2 4.03Å; L464-M498 HydrophobicContact CD1-SD 3.76Å |
| 465 | G | 89.3 | Confident | 88.5 | Confident | 12 Ų | 12 | 52.4 Ų | 52.4 | 12% | 0.124 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.6 | -44.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | L461 L462 L468 R469 F539 | L461-G465 PolarHBondContact O-N 3.22Å; L462-G465 PolarHBondContact O-N 3Å; L462-G465 VanDerWaalsContact O-N 3.11Å; G465-L468 PolarHBondContact O-N 3.2Å; G465-R469 WeakPolarHBondContact O-CB 3.01Å; G465-R469 PolarHBondContact O-N 2.84Å; G465-F539 VanDerWaalsContact O-CZ 3.3Å; G465-F539 WeakPolarHBondContact O-CZ 3.33Å |
| 466 | H | 85.3 | Confident | 87.2 | Confident | 76 Ų | 76 | 53.6 Ų | 53.6 | 35% | 0.352 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.1 | -45.9 | 176.4 | -78.8 | -69.8 | 0 | 0 | 0 | 111.7 | L462 E463 R469 E470 D599 | L462-H466 PolarHBondContact O-CD2 2.83Å; L462-H466 PolarHBondContact O-N 2.88Å; E463-H466 PolarHBondContact O-N 3.27Å; H466-R469 PolarHBondContact ND1-NH2 2.98Å; H466-R469 VanDerWaalsContact ND1-NH2 3.15Å; H466-R469 WeakPolarHBondContact O-CB 3.15Å; H466-R469 PolarHBondContact O-N 2.81Å; H466-E470 WeakPolarHBondContact O-CB 3.48Å; H466-E470 PolarHBondContact O-N 3.04Å; H466-D599 IonicContact CE1-OD1 2.88Å; H466-D599 IonicContact CE1-OD2 2.85Å |
| 467 | W | 90.3 | Very high | 85.8 | Confident | 43 Ų | 43 | 55.7 Ų | 55.7 | 16% | 0.163 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.1 | -45.8 | 178.4 | -168.9 | 99.6 | 0 | 0 | 0 | 111.5 | E463 L464 R469 E470 Y471 E487 W488 K491 | E463-W467 WeakPolarHBondContact O-CB 3.37Å; E463-W467 PolarHBondContact O-N 2.99Å; L464-W467 PolarHBondContact O-N 3.48Å; W467-R469 VanDerWaalsContact C-N 3.27Å; W467-R469 PolarHBondContact O-N 2.92Å; W467-E470 PolarHBondContact O-N 2.75Å; W467-Y471 AromaticContact CD1-CD2 3.96Å; W467-Y471 AromaticContact CD1-CE2 3.87Å; W467-Y471 AromaticContact CD2-CD2 3.77Å; W467-Y471 HydrophobicContact CD2-CD2 3.77Å; W467-Y471 HydrophobicContact CD2-CE2 4.41Å; W467-Y471 HydrophobicContact CD2-CG 4.36Å; W467-Y471 AromaticContact CE2-CD2 3.63Å; W467-Y471 HydrophobicContact CE3-CD2 4.3Å; W467-Y471 HydrophobicContact CG-CD2 4.02Å; W467-Y471 HydrophobicContact CG-CE2 4.36Å; W467-Y471 HydrophobicContact CH2-CG 4.26Å; W467-Y471 HydrophobicContact CZ2-CD1 4.5Å; W467-Y471 HydrophobicContact CZ2-CD2 4.1Å; W467-Y471 HydrophobicContact CZ2-CG 4.06Å; W467-Y471 HydrophobicContact CZ3-CG 4.47Å; W467-Y471 AromaticContact NE1-CD2 3.75Å; W467-Y471 AromaticContact NE1-CE2 3.65Å; W467-Y471 WeakPolarHBondContact O-CD2 3.42Å; W467-Y471 PolarHBondContact O-N 3.18Å; W467-E487 HydrophobicContact CH2-CB 4.31Å; W467-E487 HydrophobicContact CH2-CG 3.94Å; W467-E487 HydrophobicContact CZ2-CG 4.07Å; W467-W488 HydrophobicContact CH2-CB 4.18Å; W467-W488 HydrophobicContact CZ3-CB 3.9Å; W467-W488 AromaticContact CZ3-CD1 3.54Å; W467-W488 AromaticContact CZ3-CG 3.97Å; W467-W488 HydrophobicContact CZ3-CG 3.97Å; W467-K491 HydrophobicContact CD2-CD 3.48Å; W467-K491 VanDerWaalsContact CD2-CD 3.48Å; W467-K491 HydrophobicContact CE3-CB 4.42Å; W467-K491 HydrophobicContact CE3-CD 3.31Å; W467-K491 HydrophobicContact CE3-CG 4.47Å; W467-K491 HydrophobicContact CG-CD 4.16Å; W467-K491 HydrophobicContact CH2-CD 3.93Å; W467-K491 HydrophobicContact CZ2-CD 4.06Å; W467-K491 HydrophobicContact CZ3-CB 4.46Å; W467-K491 HydrophobicContact CZ3-CD 3.58Å |
| 468 | L | 88.8 | Confident | 84.4 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.2 | -38.5 | 178.4 | -75.6 | 168.5 | 0 | 0 | 0 | 112.1 | L464 G465 S472 W488 K491 L492 Y495 F539 | L464-L468 WeakPolarHBondContact O-CB 3.5Å; L464-L468 VanDerWaalsContact O-CG 3.25Å; L464-L468 WeakPolarHBondContact O-CG 3.46Å; L464-L468 PolarHBondContact O-N 2.84Å; G465-L468 PolarHBondContact O-N 3.2Å; L468-S472 PolarHBondContact O-N 2.92Å; L468-W488 HydrophobicContact CD2-CD2 3.89Å; L468-W488 HydrophobicContact CD2-CG 4.12Å; L468-W488 HydrophobicContact CD2-CZ2 4.07Å; L468-W488 PolarHBondContact O-NE1 2.93Å; L468-K491 HydrophobicContact CD2-CB 3.98Å; L468-K491 HydrophobicContact CG-CB 4.41Å; L468-L492 HydrophobicContact CD1-CD1 4.31Å; L468-L492 HydrophobicContact CD2-CB 4.01Å; L468-Y495 HydrophobicContact CD1-CD2 4.3Å; L468-Y495 HydrophobicContact CD1-CG 4.11Å; L468-F539 HydrophobicContact CB-CD1 4.04Å; L468-F539 HydrophobicContact CB-CD2 4.49Å; L468-F539 HydrophobicContact CB-CE1 3.81Å; L468-F539 HydrophobicContact CB-CE2 4.25Å; L468-F539 HydrophobicContact CB-CG 4.41Å; L468-F539 HydrophobicContact CB-CZ 3.93Å; L468-F539 HydrophobicContact CD1-CD2 3.93Å; L468-F539 HydrophobicContact CD1-CE2 3.94Å; L468-F539 HydrophobicContact CD1-CG 4.4Å; L468-F539 HydrophobicContact CD1-CZ 4.46Å |
| 469 | R | 81.8 | Confident | 83.3 | Confident | 75 Ų | 75 | 62.9 Ų | 62.9 | 28% | 0.283 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.7 | -52.7 | 174.8 | -179.8 | -176.1 | 71.7 | 177.8 | 2.4 | 111.5 | G465 H466 W467 Y471 S472 F539 D599 F601 | G465-R469 WeakPolarHBondContact O-CB 3.01Å; G465-R469 PolarHBondContact O-N 2.84Å; H466-R469 PolarHBondContact ND1-NH2 2.98Å; H466-R469 VanDerWaalsContact ND1-NH2 3.15Å; H466-R469 WeakPolarHBondContact O-CB 3.15Å; H466-R469 PolarHBondContact O-N 2.81Å; W467-R469 VanDerWaalsContact C-N 3.27Å; W467-R469 PolarHBondContact O-N 2.92Å; R469-Y471 VanDerWaalsContact C-N 3.35Å; R469-Y471 PolarHBondContact O-N 3.02Å; R469-S472 WeakPolarHBondContact O-CB 3.49Å; R469-S472 PolarHBondContact O-N 3.49Å; R469-S472 PolarHBondContact O-OG 3.39Å; R469-F539 HydrophobicContact CB-CE1 4.28Å; R469-D599 IonicContact CZ-OD1 2.77Å; R469-D599 IonicContact NH1-OD1 3.55Å; R469-D599 PolarHBondContact NH1-OD1 3.29Å; R469-D599 IonicContact NH2-OD1 3.88Å; R469-D599 PolarHBondContact NH2-OD1 3.06Å; R469-F601 HydrophobicContact CG-CE1 4.04Å |
| 470 | E | 79.9 | Confident | 82.3 | Confident | 125 Ų | 125 | 64.9 Ų | 64.9 | 58% | 0.584 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -62 | -40.8 | -175.4 | -173.9 | -178.5 | 170.4 | 0 | 0 | 112.3 | H466 W467 Y473 | H466-E470 WeakPolarHBondContact O-CB 3.48Å; H466-E470 PolarHBondContact O-N 3.04Å; W467-E470 PolarHBondContact O-N 2.75Å; E470-Y473 WeakPolarHBondContact O-CD1 3.42Å; E470-Y473 WeakPolarHBondContact O-CE1 3.28Å |
| 471 | Y | 84.4 | Confident | 81.7 | Confident | 60 Ų | 60 | 62.6 Ų | 62.6 | 24% | 0.235 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | 16.4 | -177.5 | -68.2 | -91 | 0 | 0 | 0 | 113.6 | W467 R469 Y473 V474 | W467-Y471 AromaticContact CD1-CD2 3.96Å; W467-Y471 AromaticContact CD1-CE2 3.87Å; W467-Y471 AromaticContact CD2-CD2 3.77Å; W467-Y471 HydrophobicContact CD2-CD2 3.77Å; W467-Y471 HydrophobicContact CD2-CE2 4.41Å; W467-Y471 HydrophobicContact CD2-CG 4.36Å; W467-Y471 AromaticContact CE2-CD2 3.63Å; W467-Y471 HydrophobicContact CE3-CD2 4.3Å; W467-Y471 HydrophobicContact CG-CD2 4.02Å; W467-Y471 HydrophobicContact CG-CE2 4.36Å; W467-Y471 HydrophobicContact CH2-CG 4.26Å; W467-Y471 HydrophobicContact CZ2-CD1 4.5Å; W467-Y471 HydrophobicContact CZ2-CD2 4.1Å; W467-Y471 HydrophobicContact CZ2-CG 4.06Å; W467-Y471 HydrophobicContact CZ3-CG 4.47Å; W467-Y471 AromaticContact NE1-CD2 3.75Å; W467-Y471 AromaticContact NE1-CE2 3.65Å; W467-Y471 WeakPolarHBondContact O-CD2 3.42Å; W467-Y471 PolarHBondContact O-N 3.18Å; R469-Y471 VanDerWaalsContact C-N 3.35Å; R469-Y471 PolarHBondContact O-N 3.02Å; Y471-Y473 HydrophobicContact CD1-CE1 4.11Å; Y471-Y473 WeakPolarHBondContact CD1-OH 3.34Å; Y471-Y473 PolarHBondContact O-N 3.01Å; Y471-Y473 VanDerWaalsContact O-N 3.09Å; Y471-V474 WeakPolarHBondContact O-CG2 3.49Å; Y471-V474 PolarHBondContact O-N 3.37Å |
| 472 | S | 81.7 | Confident | 81.2 | Confident | 33 Ų | 33 | 68.1 Ų | 68.1 | 23% | 0.231 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | -61.6 | -17.2 | 178.6 | 57.3 | 0 | 0 | 0 | 0 | 114.5 | L468 R469 V474 C475 | L468-S472 PolarHBondContact O-N 2.92Å; R469-S472 WeakPolarHBondContact O-CB 3.49Å; R469-S472 PolarHBondContact O-N 3.49Å; R469-S472 PolarHBondContact O-OG 3.39Å; S472-V474 PolarHBondContact O-N 3.36Å; S472-C475 PolarHBondContact O-N 2.86Å; S472-C475 PolarHBondContact O-SG 3.37Å |
| 473 | Y | 78.6 | Confident | 81 | Confident | 138 Ų | 138 | 71.7 Ų | 71.7 | 54% | 0.541 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -70.5 | -15.3 | 174.4 | 65.2 | -90.1 | 0 | 0 | 0 | 113.6 | E470 Y471 | E470-Y473 WeakPolarHBondContact O-CD1 3.42Å; E470-Y473 WeakPolarHBondContact O-CE1 3.28Å; Y471-Y473 HydrophobicContact CD1-CE1 4.11Å; Y471-Y473 WeakPolarHBondContact CD1-OH 3.34Å; Y471-Y473 PolarHBondContact O-N 3.01Å; Y471-Y473 VanDerWaalsContact O-N 3.09Å |
| 474 | V | 79.9 | Confident | 80.7 | Confident | 1 Ų | 1 | 69.8 Ų | 69.8 | 1% | 0.006 | 36% | 0.364 | C | S | . | . | G | 310 helix | trans | -90.1 | -8.1 | 177.5 | -56.2 | 0 | 0 | 0 | 0 | 113.6 | Y471 S472 P479 K484 A485 W488 | Y471-V474 WeakPolarHBondContact O-CG2 3.49Å; Y471-V474 PolarHBondContact O-N 3.37Å; S472-V474 PolarHBondContact O-N 3.36Å; V474-P479 VanDerWaalsContact O-CB 3.31Å; V474-P479 WeakPolarHBondContact O-CB 3.27Å; V474-K484 HydrophobicContact CB-CB 4.2Å; V474-K484 HydrophobicContact CG1-CB 4Å; V474-K484 HydrophobicContact CG1-CD 4.22Å; V474-K484 HydrophobicContact CG2-CB 4.15Å; V474-A485 WeakPolarHBondContact O-CB 3.35Å; V474-W488 HydrophobicContact CG2-CB 3.94Å; V474-W488 HydrophobicContact CG2-CG 4.17Å |
| 475 | C | 73.3 | Confident | 80.4 | Confident | 20 Ų | 20 | 69.4 Ų | 69.4 | 14% | 0.135 | 36% | 0.363 | C | S | . | . | trans | -90.5 | 171.6 | 178.4 | 70.8 | 0 | 0 | 0 | 0 | 112.3 | S472 W488 L542 | S472-C475 PolarHBondContact O-N 2.86Å; S472-C475 PolarHBondContact O-SG 3.37Å; C475-W488 HydrophobicContact CB-CD2 3.87Å; C475-W488 HydrophobicContact CB-CE3 3.75Å; C475-W488 HydrophobicContact CB-CH2 4.16Å; C475-W488 HydrophobicContact CB-CZ2 4.26Å; C475-W488 HydrophobicContact CB-CZ3 3.89Å; C475-L542 PolarHBondContact SG-O 3.21Å | ||
| 476 | G | 68.2 | Low | 80.5 | Confident | 25 Ų | 25 | 73 Ų | 73 | 26% | 0.258 | 38% | 0.383 | S | S | . | . | S | Bend | trans | 106.6 | -176.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | N478 | G476-N478 VanDerWaalsContact C-N 3.3Å; G476-N478 PolarHBondContact O-N 3.01Å |
| 477 | P | 66.6 | Low | 80.9 | Confident | 118 Ų | 118 | 73.3 Ų | 73.3 | 77% | 0.766 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -70.6 | -22.8 | -168.7 | 25.2 | -33 | 0 | 0 | 0 | 114.2 | ||
| 478 | N | 68.5 | Low | 81 | Confident | 148 Ų | 148 | 71.3 Ų | 71.3 | 79% | 0.791 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -132.3 | 73.3 | -178 | -67.1 | -32.5 | 0 | 0 | 0 | 110.3 | G476 | G476-N478 VanDerWaalsContact C-N 3.3Å; G476-N478 PolarHBondContact O-N 3.01Å |
| 479 | P | 70.9 | Confident | 81.1 | Confident | 45 Ų | 45 | 74.7 Ų | 74.7 | 29% | 0.292 | 40% | 0.395 | S | S | . | . | trans | -65.8 | 138.3 | -179.6 | 28.5 | -34.7 | 0 | 0 | 0 | 110.8 | V474 D481 L482 A485 | V474-P479 VanDerWaalsContact O-CB 3.31Å; V474-P479 WeakPolarHBondContact O-CB 3.27Å; P479-D481 VanDerWaalsContact C-N 3.27Å; P479-D481 PolarHBondContact O-N 3.13Å; P479-L482 HydrophobicContact CG-CD1 4.34Å; P479-A485 HydrophobicContact CB-CB 3.58Å; P479-A485 HydrophobicContact CG-CB 4.01Å | ||
| 480 | S | 74.1 | Confident | 81.7 | Confident | 106 Ų | 106 | 78 Ų | 78 | 74% | 0.741 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -70.5 | -26.3 | 174.8 | 55.9 | 0 | 0 | 0 | 0 | 112.9 | ||
| 481 | D | 82.4 | Confident | 82.5 | Confident | 54 Ų | 54 | 74.3 Ų | 74.3 | 29% | 0.289 | 39% | 0.394 | S | S | . | . | trans | -136.5 | 107.3 | -177.9 | -176.8 | -19.9 | 0 | 0 | 0 | 109 | P479 E483 K484 A485 | P479-D481 VanDerWaalsContact C-N 3.27Å; P479-D481 PolarHBondContact O-N 3.13Å; D481-E483 VanDerWaalsContact C-N 3.32Å; D481-E483 PolarHBondContact O-N 3.07Å; D481-E483 PolarHBondContact OD1-N 3.08Å; D481-E483 VanDerWaalsContact OD1-N 3.1Å; D481-K484 HydrophobicContact CB-CB 4.18Å; D481-K484 HydrophobicContact CB-CD 4.36Å; D481-K484 HydrophobicContact CB-CG 4.41Å; D481-K484 PolarHBondContact OD1-N 3.14Å; D481-K484 VanDerWaalsContact OD2-CD 3.23Å; D481-K484 WeakPolarHBondContact OD2-CD 3.07Å; D481-K484 WeakPolarHBondContact OD2-CE 3.48Å; D481-K484 VanDerWaalsContact OD2-CG 3.3Å; D481-K484 WeakPolarHBondContact OD2-CG 3.37Å; D481-A485 WeakPolarHBondContact O-CB 3.49Å; D481-A485 PolarHBondContact O-N 2.91Å | ||
| 482 | L | 84.6 | Confident | 83 | Confident | 128 Ų | 128 | 71.9 Ų | 71.9 | 67% | 0.67 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -68.8 | -30.7 | -174.6 | -172.9 | 64 | 0 | 0 | 0 | 112.6 | P479 T486 | P479-L482 HydrophobicContact CG-CD1 4.34Å; L482-T486 WeakPolarHBondContact O-CB 3.35Å; L482-T486 PolarHBondContact O-N 3.32Å; L482-T486 PolarHBondContact O-OG1 3.33Å |
| 483 | E | 87.2 | Confident | 83.7 | Confident | 161 Ų | 161 | 73.2 Ų | 73.2 | 75% | 0.752 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -69.6 | -49.2 | 179.8 | -174.5 | 174.5 | -178 | 0 | 0 | 109.9 | D481 A485 T486 E487 | D481-E483 VanDerWaalsContact C-N 3.32Å; D481-E483 PolarHBondContact O-N 3.07Å; D481-E483 PolarHBondContact OD1-N 3.08Å; D481-E483 VanDerWaalsContact OD1-N 3.1Å; E483-A485 VanDerWaalsContact C-N 3.33Å; E483-A485 PolarHBondContact O-N 2.9Å; E483-T486 WeakPolarHBondContact O-CB 3.35Å; E483-T486 PolarHBondContact O-N 3.25Å; E483-T486 VanDerWaalsContact O-N 3.13Å; E483-E487 PolarHBondContact O-N 3.13Å |
| 484 | K | 85.9 | Confident | 84.5 | Confident | 83 Ų | 83 | 68.8 Ų | 68.8 | 36% | 0.361 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63.1 | -38 | 175.1 | -70.6 | -175 | -175.3 | -179.2 | 0 | 112.7 | V474 D481 T486 E487 W488 | V474-K484 HydrophobicContact CB-CB 4.2Å; V474-K484 HydrophobicContact CG1-CB 4Å; V474-K484 HydrophobicContact CG1-CD 4.22Å; V474-K484 HydrophobicContact CG2-CB 4.15Å; D481-K484 HydrophobicContact CB-CB 4.18Å; D481-K484 HydrophobicContact CB-CD 4.36Å; D481-K484 HydrophobicContact CB-CG 4.41Å; D481-K484 PolarHBondContact OD1-N 3.14Å; D481-K484 VanDerWaalsContact OD2-CD 3.23Å; D481-K484 WeakPolarHBondContact OD2-CD 3.07Å; D481-K484 WeakPolarHBondContact OD2-CE 3.48Å; D481-K484 VanDerWaalsContact OD2-CG 3.3Å; D481-K484 WeakPolarHBondContact OD2-CG 3.37Å; K484-T486 VanDerWaalsContact C-N 3.29Å; K484-T486 PolarHBondContact O-N 3.41Å; K484-E487 PolarHBondContact O-N 3.15Å; K484-W488 WeakPolarHBondContact O-CB 3.13Å; K484-W488 PolarHBondContact O-N 2.7Å |
| 485 | A | 86.2 | Confident | 85.3 | Confident | 7 Ų | 7 | 69 Ų | 69 | 6% | 0.058 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -62.1 | -38.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | V474 P479 D481 E483 W488 N489 | V474-A485 WeakPolarHBondContact O-CB 3.35Å; P479-A485 HydrophobicContact CB-CB 3.58Å; P479-A485 HydrophobicContact CG-CB 4.01Å; D481-A485 WeakPolarHBondContact O-CB 3.49Å; D481-A485 PolarHBondContact O-N 2.91Å; E483-A485 VanDerWaalsContact C-N 3.33Å; E483-A485 PolarHBondContact O-N 2.9Å; A485-W488 PolarHBondContact O-N 3.47Å; A485-N489 PolarHBondContact O-N 2.85Å; A485-N489 PolarHBondContact O-ND2 2.88Å; A485-N489 VanDerWaalsContact O-ND2 3.15Å |
| 486 | T | 91.1 | Very high | 86.4 | Confident | 87 Ų | 87 | 69.5 Ų | 69.5 | 53% | 0.534 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -66.7 | -42.1 | 176 | -55.6 | 0 | 0 | 0 | 0 | 111.4 | L482 E483 K484 W488 N489 K490 | L482-T486 WeakPolarHBondContact O-CB 3.35Å; L482-T486 PolarHBondContact O-N 3.32Å; L482-T486 PolarHBondContact O-OG1 3.33Å; E483-T486 WeakPolarHBondContact O-CB 3.35Å; E483-T486 PolarHBondContact O-N 3.25Å; E483-T486 VanDerWaalsContact O-N 3.13Å; K484-T486 VanDerWaalsContact C-N 3.29Å; K484-T486 PolarHBondContact O-N 3.41Å; T486-W488 VanDerWaalsContact C-N 3.34Å; T486-N489 PolarHBondContact O-N 3.28Å; T486-K490 WeakPolarHBondContact O-CB 3.36Å; T486-K490 PolarHBondContact O-N 3.43Å |
| 487 | E | 93.8 | Very high | 87.7 | Confident | 83 Ų | 83 | 72.8 Ų | 72.8 | 39% | 0.388 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61.4 | -43 | 173.2 | -172 | -176.4 | 178.6 | 0 | 0 | 111.7 | W467 E483 K484 K490 K491 | W467-E487 HydrophobicContact CH2-CB 4.31Å; W467-E487 HydrophobicContact CH2-CG 3.94Å; W467-E487 HydrophobicContact CZ2-CG 4.07Å; E483-E487 PolarHBondContact O-N 3.13Å; K484-E487 PolarHBondContact O-N 3.15Å; E487-K490 WeakPolarHBondContact O-CB 3.2Å; E487-K490 PolarHBondContact O-N 3.04Å; E487-K491 HydrophobicContact CG-CD 4.4Å; E487-K491 PolarHBondContact O-N 3.31Å; E487-K491 WeakPolarHBondContact OE1-CE 3.26Å; E487-K491 IonicContact OE1-NZ 2.73Å |
| 488 | W | 92.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61.8 | -46.7 | 179.1 | -167.9 | 101.7 | 0 | 0 | 0 | 111.9 | W467 L468 V474 C475 K484 A485 T486 K490 K491 L492 E543 | W467-W488 HydrophobicContact CH2-CB 4.18Å; W467-W488 HydrophobicContact CZ3-CB 3.9Å; W467-W488 AromaticContact CZ3-CD1 3.54Å; W467-W488 AromaticContact CZ3-CG 3.97Å; W467-W488 HydrophobicContact CZ3-CG 3.97Å; L468-W488 HydrophobicContact CD2-CD2 3.89Å; L468-W488 HydrophobicContact CD2-CG 4.12Å; L468-W488 HydrophobicContact CD2-CZ2 4.07Å; L468-W488 PolarHBondContact O-NE1 2.93Å; V474-W488 HydrophobicContact CG2-CB 3.94Å; V474-W488 HydrophobicContact CG2-CG 4.17Å; C475-W488 HydrophobicContact CB-CD2 3.87Å; C475-W488 HydrophobicContact CB-CE3 3.75Å; C475-W488 HydrophobicContact CB-CH2 4.16Å; C475-W488 HydrophobicContact CB-CZ2 4.26Å; C475-W488 HydrophobicContact CB-CZ3 3.89Å; K484-W488 WeakPolarHBondContact O-CB 3.13Å; K484-W488 PolarHBondContact O-N 2.7Å; A485-W488 PolarHBondContact O-N 3.47Å; T486-W488 VanDerWaalsContact C-N 3.34Å; W488-K490 VanDerWaalsContact C-N 3.32Å; W488-K490 PolarHBondContact O-N 2.91Å; W488-K491 PolarHBondContact O-N 2.75Å; W488-L492 HydrophobicContact CE3-CB 4.35Å; W488-L492 HydrophobicContact CE3-CD2 4.39Å; W488-L492 HydrophobicContact CH2-CD2 3.76Å; W488-L492 HydrophobicContact CZ3-CB 4.12Å; W488-L492 HydrophobicContact CZ3-CD2 3.44Å; W488-L492 VanDerWaalsContact CZ3-CD2 3.44Å; W488-L492 HydrophobicContact CZ3-CG 4.33Å; W488-L492 WeakPolarHBondContact O-CB 3.39Å; W488-L492 PolarHBondContact O-N 2.65Å; W488-E543 HydrophobicContact CH2-CB 3.93Å; W488-E543 HydrophobicContact CZ3-CB 3.82Å; W488-E543 HydrophobicContact CZ3-CG 4.05Å |
| 489 | N | 91.9 | Very high | 90.5 | Very high | 72 Ų | 72 | 61.4 Ų | 61.4 | 39% | 0.385 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.3 | -38.5 | 175.6 | -70.9 | -32.1 | 0 | 0 | 0 | 112.4 | A485 T486 L492 S493 | A485-N489 PolarHBondContact O-N 2.85Å; A485-N489 PolarHBondContact O-ND2 2.88Å; A485-N489 VanDerWaalsContact O-ND2 3.15Å; T486-N489 PolarHBondContact O-N 3.28Å; N489-L492 PolarHBondContact O-N 2.7Å; N489-S493 PolarHBondContact O-N 2.78Å |
| 490 | K | 94.9 | Very high | 91.7 | Very high | 144 Ų | 144 | 62.2 Ų | 62.2 | 63% | 0.626 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -62.6 | -47.4 | 175.2 | -176.6 | -177 | 176.9 | -175.1 | 0 | 111.4 | T486 E487 W488 L492 S493 D494 | T486-K490 WeakPolarHBondContact O-CB 3.36Å; T486-K490 PolarHBondContact O-N 3.43Å; E487-K490 WeakPolarHBondContact O-CB 3.2Å; E487-K490 PolarHBondContact O-N 3.04Å; W488-K490 VanDerWaalsContact C-N 3.32Å; W488-K490 PolarHBondContact O-N 2.91Å; K490-L492 VanDerWaalsContact C-N 3.33Å; K490-L492 PolarHBondContact O-N 3.29Å; K490-S493 WeakPolarHBondContact O-CB 3.47Å; K490-S493 PolarHBondContact O-N 2.78Å; K490-D494 PolarHBondContact O-N 3.21Å |
| 491 | K | 95.5 | Very high | 92.8 | Very high | 48 Ų | 48 | 59 Ų | 59 | 21% | 0.209 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.3 | -33.3 | 177.9 | -73.7 | -179.3 | -178 | -139.9 | 0 | 112.6 | L464 W467 L468 E487 W488 S493 D494 Y495 | L464-K491 HydrophobicContact CD2-CB 4.05Å; L464-K491 HydrophobicContact CD2-CD 4.31Å; L464-K491 HydrophobicContact CD2-CG 3.98Å; W467-K491 HydrophobicContact CD2-CD 3.48Å; W467-K491 VanDerWaalsContact CD2-CD 3.48Å; W467-K491 HydrophobicContact CE3-CB 4.42Å; W467-K491 HydrophobicContact CE3-CD 3.31Å; W467-K491 HydrophobicContact CE3-CG 4.47Å; W467-K491 HydrophobicContact CG-CD 4.16Å; W467-K491 HydrophobicContact CH2-CD 3.93Å; W467-K491 HydrophobicContact CZ2-CD 4.06Å; W467-K491 HydrophobicContact CZ3-CB 4.46Å; W467-K491 HydrophobicContact CZ3-CD 3.58Å; L468-K491 HydrophobicContact CD2-CB 3.98Å; L468-K491 HydrophobicContact CG-CB 4.41Å; E487-K491 HydrophobicContact CG-CD 4.4Å; E487-K491 PolarHBondContact O-N 3.31Å; E487-K491 WeakPolarHBondContact OE1-CE 3.26Å; E487-K491 IonicContact OE1-NZ 2.73Å; W488-K491 PolarHBondContact O-N 2.75Å; K491-S493 VanDerWaalsContact C-N 3.34Å; K491-D494 PolarHBondContact O-N 3.4Å; K491-Y495 WeakPolarHBondContact O-CB 3.33Å; K491-Y495 PolarHBondContact O-N 2.96Å |
| 492 | L | 94.5 | Very high | 93.5 | Very high | 9 Ų | 9 | 56.4 Ų | 56.4 | 5% | 0.047 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65.3 | -39.1 | 172.9 | 179.1 | 60.3 | 0 | 0 | 0 | 111.4 | L468 W488 N489 K490 Y495 T496 L536 F539 E543 | L468-L492 HydrophobicContact CD1-CD1 4.31Å; L468-L492 HydrophobicContact CD2-CB 4.01Å; W488-L492 HydrophobicContact CE3-CB 4.35Å; W488-L492 HydrophobicContact CE3-CD2 4.39Å; W488-L492 HydrophobicContact CH2-CD2 3.76Å; W488-L492 HydrophobicContact CZ3-CB 4.12Å; W488-L492 HydrophobicContact CZ3-CD2 3.44Å; W488-L492 VanDerWaalsContact CZ3-CD2 3.44Å; W488-L492 HydrophobicContact CZ3-CG 4.33Å; W488-L492 WeakPolarHBondContact O-CB 3.39Å; W488-L492 PolarHBondContact O-N 2.65Å; N489-L492 PolarHBondContact O-N 2.7Å; K490-L492 VanDerWaalsContact C-N 3.33Å; K490-L492 PolarHBondContact O-N 3.29Å; L492-Y495 PolarHBondContact O-N 3.49Å; L492-T496 WeakPolarHBondContact O-CB 3.35Å; L492-T496 PolarHBondContact O-N 3.25Å; L492-T496 PolarHBondContact O-OG1 2.78Å; L492-L536 HydrophobicContact CD1-CD1 4.11Å; L492-F539 HydrophobicContact CD1-CB 3.6Å; L492-F539 HydrophobicContact CD1-CD2 4.42Å; L492-F539 HydrophobicContact CD1-CG 4.38Å; L492-E543 HydrophobicContact CD2-CB 4.26Å; L492-E543 HydrophobicContact CD2-CG 4.41Å; L492-E543 WeakPolarHBondContact CD2-OE2 3.41Å |
| 493 | S | 96.2 | Very high | 94 | Very high | 61 Ų | 61 | 50.7 Ų | 50.7 | 43% | 0.427 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61 | -48.8 | 172.5 | -167.6 | 0 | 0 | 0 | 0 | 111.2 | N489 K490 K491 Y495 T496 D497 | N489-S493 PolarHBondContact O-N 2.78Å; K490-S493 WeakPolarHBondContact O-CB 3.47Å; K490-S493 PolarHBondContact O-N 2.78Å; K491-S493 VanDerWaalsContact C-N 3.34Å; S493-Y495 VanDerWaalsContact C-N 3.31Å; S493-Y495 PolarHBondContact O-N 2.78Å; S493-T496 WeakPolarHBondContact O-CB 3.18Å; S493-T496 PolarHBondContact O-N 3.29Å; S493-T496 VanDerWaalsContact O-N 3.1Å; S493-D497 PolarHBondContact O-N 2.87Å |
| 494 | D | 96.7 | Very high | 94.4 | Very high | 45 Ų | 45 | 48.5 Ų | 48.5 | 24% | 0.241 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -57.3 | -43.4 | 176.6 | -78.8 | 17.2 | 0 | 0 | 0 | 112.1 | R460 L464 K490 K491 D497 M498 | R460-D494 IonicContact CZ-OD2 3.67Å; R460-D494 IonicContact NH2-OD2 3.9Å; R460-D494 PolarHBondContact NH2-OD2 2.98Å; L464-D494 HydrophobicContact CD1-CB 4.17Å; K490-D494 PolarHBondContact O-N 3.21Å; K491-D494 PolarHBondContact O-N 3.4Å; D494-D497 PolarHBondContact O-N 3.39Å; D494-M498 WeakPolarHBondContact O-CG 3.38Å; D494-M498 PolarHBondContact O-N 2.94Å; D494-M498 VanDerWaalsContact O-N 3.15Å |
| 495 | Y | 96.2 | Very high | 94.9 | Very high | 6 Ų | 6 | 44.6 Ų | 44.6 | 2% | 0.024 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.1 | -43 | 176.1 | -169.1 | -86.5 | 0 | 0 | 0 | 111.3 | L461 L464 L468 K491 L492 S493 D497 M498 V499 I535 L536 F539 | L461-Y495 HydrophobicContact CD1-CD2 3.81Å; L461-Y495 HydrophobicContact CD1-CE2 3.51Å; L461-Y495 HydrophobicContact CG-CE2 4.05Å; L461-Y495 WeakPolarHBondContact O-CE2 3.27Å; L464-Y495 HydrophobicContact CB-CD2 4.03Å; L468-Y495 HydrophobicContact CD1-CD2 4.3Å; L468-Y495 HydrophobicContact CD1-CG 4.11Å; K491-Y495 WeakPolarHBondContact O-CB 3.33Å; K491-Y495 PolarHBondContact O-N 2.96Å; L492-Y495 PolarHBondContact O-N 3.49Å; S493-Y495 VanDerWaalsContact C-N 3.31Å; S493-Y495 PolarHBondContact O-N 2.78Å; Y495-D497 VanDerWaalsContact C-N 3.33Å; Y495-D497 PolarHBondContact O-N 3.38Å; Y495-M498 PolarHBondContact O-N 3.46Å; Y495-V499 HydrophobicContact CD1-CG2 3.92Å; Y495-V499 HydrophobicContact CE1-CG2 3.6Å; Y495-V499 WeakPolarHBondContact O-CG2 3.37Å; Y495-V499 PolarHBondContact O-N 3.45Å; Y495-I535 HydrophobicContact CE1-CG2 4.29Å; Y495-I535 VanDerWaalsContact OH-CG2 3.23Å; Y495-I535 WeakPolarHBondContact OH-CG2 3.12Å; Y495-L536 HydrophobicContact CD1-CB 4.39Å; Y495-L536 HydrophobicContact CD1-CD1 4.14Å; Y495-L536 HydrophobicContact CE1-CB 4.08Å; Y495-F539 HydrophobicContact CD1-CD2 4.08Å; Y495-F539 HydrophobicContact CD1-CE2 4.21Å; Y495-F539 HydrophobicContact CD2-CE2 4.3Å; Y495-F539 HydrophobicContact CE1-CD2 4.05Å; Y495-F539 AromaticContact CE1-CE2 3.95Å; Y495-F539 HydrophobicContact CE1-CE2 3.95Å; Y495-F539 HydrophobicContact CE2-CE2 4.04Å; Y495-F539 HydrophobicContact CG-CD2 4.5Å; Y495-F539 HydrophobicContact CG-CE2 4.4Å; Y495-F539 AromaticContact CZ-CE2 3.88Å |
| 496 | T | 96 | Very high | 95.4 | Very high | 30 Ų | 30 | 47.1 Ų | 47.1 | 18% | 0.184 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.9 | -40.3 | 177.2 | -59.7 | 0 | 0 | 0 | 0 | 112.1 | L492 S493 V499 S500 L536 | L492-T496 WeakPolarHBondContact O-CB 3.35Å; L492-T496 PolarHBondContact O-N 3.25Å; L492-T496 PolarHBondContact O-OG1 2.78Å; S493-T496 WeakPolarHBondContact O-CB 3.18Å; S493-T496 PolarHBondContact O-N 3.29Å; S493-T496 VanDerWaalsContact O-N 3.1Å; T496-V499 PolarHBondContact O-N 3.08Å; T496-S500 WeakPolarHBondContact O-CB 3.48Å; T496-S500 PolarHBondContact O-N 2.92Å; T496-S500 PolarHBondContact O-OG 3.38Å; T496-L536 HydrophobicContact CG2-CD2 4.27Å; T496-L536 VanDerWaalsContact OG1-CD1 3.31Å; T496-L536 WeakPolarHBondContact OG1-CD1 3.32Å |
| 497 | D | 96.9 | Very high | 95.5 | Very high | 93 Ų | 93 | 45.9 Ų | 45.9 | 50% | 0.497 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -67.2 | -39.2 | 178.4 | -73.2 | -21.2 | 0 | 0 | 0 | 112 | S493 D494 Y495 S500 T501 | S493-D497 PolarHBondContact O-N 2.87Å; D494-D497 PolarHBondContact O-N 3.39Å; Y495-D497 VanDerWaalsContact C-N 3.33Å; Y495-D497 PolarHBondContact O-N 3.38Å; D497-S500 PolarHBondContact O-N 3.45Å; D497-T501 WeakPolarHBondContact O-CB 3.43Å; D497-T501 PolarHBondContact O-N 3.27Å; D497-T501 PolarHBondContact O-OG1 3.38Å |
| 498 | M | 97.3 | Very high | 95.6 | Very high | 20 Ų | 20 | 43.2 Ų | 43.2 | 10% | 0.099 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.4 | -47.6 | 174.3 | -68.4 | -179.8 | 74.5 | 0 | 0 | 111.5 | M443 S457 R460 L461 L464 D494 Y495 S500 T501 I502 | M443-M498 HydrophobicContact CE-CE 4.17Å; S457-M498 WeakPolarHBondContact O-CE 3.23Å; R460-M498 HydrophobicContact CB-CE 4.3Å; R460-M498 HydrophobicContact CG-CE 4.41Å; R460-M498 HydrophobicContact CG-SD 4.29Å; R460-M498 PolarHBondContact NH1-SD 3.19Å; L461-M498 HydrophobicContact CB-CE 3.68Å; L461-M498 HydrophobicContact CD1-CB 3.89Å; L461-M498 HydrophobicContact CD1-CE 4.05Å; L461-M498 HydrophobicContact CD1-SD 4.14Å; L461-M498 HydrophobicContact CG-CE 4.44Å; L464-M498 HydrophobicContact CD1-SD 3.76Å; D494-M498 WeakPolarHBondContact O-CG 3.38Å; D494-M498 PolarHBondContact O-N 2.94Å; D494-M498 VanDerWaalsContact O-N 3.15Å; Y495-M498 PolarHBondContact O-N 3.46Å; M498-S500 VanDerWaalsContact C-N 3.3Å; M498-S500 PolarHBondContact O-N 2.96Å; M498-T501 WeakPolarHBondContact O-CB 3.44Å; M498-T501 PolarHBondContact O-N 3.23Å; M498-T501 VanDerWaalsContact O-N 3.11Å; M498-I502 WeakPolarHBondContact O-CG1 3.35Å; M498-I502 PolarHBondContact O-N 2.95Å |
| 499 | V | 96.2 | Very high | 95.6 | Very high | 8 Ų | 8 | 43.2 Ų | 43.2 | 5% | 0.048 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.8 | -41.1 | 176.2 | 171.9 | 0 | 0 | 0 | 0 | 111.5 | Y495 T496 T501 I502 G503 V532 L536 | Y495-V499 HydrophobicContact CD1-CG2 3.92Å; Y495-V499 HydrophobicContact CE1-CG2 3.6Å; Y495-V499 WeakPolarHBondContact O-CG2 3.37Å; Y495-V499 PolarHBondContact O-N 3.45Å; T496-V499 PolarHBondContact O-N 3.08Å; V499-T501 VanDerWaalsContact C-N 3.31Å; V499-T501 PolarHBondContact O-N 3.1Å; V499-I502 PolarHBondContact O-N 2.87Å; V499-G503 PolarHBondContact O-N 2.95Å; V499-V532 HydrophobicContact CB-CG2 4.43Å; V499-V532 HydrophobicContact CG1-CG2 4.09Å; V499-V532 HydrophobicContact CG2-CB 4.04Å; V499-V532 HydrophobicContact CG2-CG2 3.9Å; V499-L536 HydrophobicContact CB-CD2 4.18Å; V499-L536 HydrophobicContact CG1-CD2 3.95Å; V499-L536 HydrophobicContact CG2-CB 4.46Å; V499-L536 HydrophobicContact CG2-CD2 4.5Å |
| 500 | S | 96 | Very high | 95.7 | Very high | 61 Ų | 61 | 45 Ų | 45 | 43% | 0.427 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -64.9 | -35.6 | 176.5 | -59.9 | 0 | 0 | 0 | 0 | 112.3 | T496 D497 M498 G503 R504 | T496-S500 WeakPolarHBondContact O-CB 3.48Å; T496-S500 PolarHBondContact O-N 2.92Å; T496-S500 PolarHBondContact O-OG 3.38Å; D497-S500 PolarHBondContact O-N 3.45Å; M498-S500 VanDerWaalsContact C-N 3.3Å; M498-S500 PolarHBondContact O-N 2.96Å; S500-G503 PolarHBondContact O-N 3.14Å; S500-R504 PolarHBondContact O-N 2.79Å |
| 501 | T | 96.3 | Very high | 95.5 | Very high | 39 Ų | 39 | 44 Ų | 44 | 24% | 0.239 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.8 | -43.6 | 174.2 | -60.2 | 0 | 0 | 0 | 0 | 111.2 | D497 M498 V499 G503 R504 I505 | D497-T501 WeakPolarHBondContact O-CB 3.43Å; D497-T501 PolarHBondContact O-N 3.27Å; D497-T501 PolarHBondContact O-OG1 3.38Å; M498-T501 WeakPolarHBondContact O-CB 3.44Å; M498-T501 PolarHBondContact O-N 3.23Å; M498-T501 VanDerWaalsContact O-N 3.11Å; V499-T501 VanDerWaalsContact C-N 3.31Å; V499-T501 PolarHBondContact O-N 3.1Å; T501-G503 VanDerWaalsContact C-N 3.33Å; T501-G503 PolarHBondContact O-N 3.4Å; T501-R504 WeakPolarHBondContact O-CB 3.17Å; T501-R504 PolarHBondContact O-N 2.75Å; T501-R504 VanDerWaalsContact O-N 3.13Å; T501-I505 HydrophobicContact CG2-CD1 4.08Å; T501-I505 WeakPolarHBondContact O-CG1 3.1Å; T501-I505 PolarHBondContact O-N 3.03Å |
| 502 | I | 96.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.6 | -44.3 | 174.7 | -65.5 | 170.9 | 0 | 0 | 0 | 111 | M443 L447 L461 M498 V499 R504 I505 R506 I525 V528 H529 V532 | M443-I502 HydrophobicContact CE-CD1 3.94Å; M443-I502 HydrophobicContact CE-CG1 3.78Å; L447-I502 HydrophobicContact CD1-CD1 4.26Å; L447-I502 HydrophobicContact CD1-CG1 4.08Å; L447-I502 HydrophobicContact CD2-CD1 4.24Å; L461-I502 HydrophobicContact CD2-CD1 3.96Å; M498-I502 WeakPolarHBondContact O-CG1 3.35Å; M498-I502 PolarHBondContact O-N 2.95Å; V499-I502 PolarHBondContact O-N 2.87Å; I502-R504 VanDerWaalsContact C-N 3.34Å; I502-R504 PolarHBondContact O-N 3.42Å; I502-I505 PolarHBondContact O-N 2.93Å; I502-R506 PolarHBondContact O-N 2.91Å; I502-I525 HydrophobicContact CG2-CD1 3.94Å; I502-V528 HydrophobicContact CG2-CG1 4.43Å; I502-H529 HydrophobicContact CG2-CB 3.88Å; I502-V532 HydrophobicContact CD1-CG2 4.16Å |
| 503 | G | 95.9 | Very high | 94.9 | Very high | 7 Ų | 7 | 44.7 Ų | 44.7 | 7% | 0.072 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.7 | -40.8 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | V499 S500 T501 R506 D507 H529 | V499-G503 PolarHBondContact O-N 2.95Å; S500-G503 PolarHBondContact O-N 3.14Å; T501-G503 VanDerWaalsContact C-N 3.33Å; T501-G503 PolarHBondContact O-N 3.4Å; G503-R506 WeakPolarHBondContact O-CB 3.31Å; G503-R506 PolarHBondContact O-N 3.19Å; G503-D507 VanDerWaalsContact O-CG 3.27Å; G503-D507 PolarHBondContact O-N 3.35Å; G503-D507 VanDerWaalsContact O-N 3.1Å; G503-H529 WeakPolarHBondContact CA-CD2 3.21Å; G503-H529 WeakPolarHBondContact CA-NE2 3.26Å; G503-H529 PolarHBondContact N-CD2 3.36Å |
| 504 | R | 96.1 | Very high | 94.5 | Very high | 115 Ų | 115 | 43.4 Ų | 43.4 | 43% | 0.434 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -63.6 | -42.6 | 175.2 | -168.5 | -169 | -52.6 | 135.2 | 5.9 | 112.1 | S500 T501 I502 D507 R508 | S500-R504 PolarHBondContact O-N 2.79Å; T501-R504 WeakPolarHBondContact O-CB 3.17Å; T501-R504 PolarHBondContact O-N 2.75Å; T501-R504 VanDerWaalsContact O-N 3.13Å; I502-R504 VanDerWaalsContact C-N 3.34Å; I502-R504 PolarHBondContact O-N 3.42Å; R504-D507 PolarHBondContact O-N 3.45Å; R504-R508 WeakPolarHBondContact O-CB 3.35Å; R504-R508 WeakPolarHBondContact O-CG 3.49Å; R504-R508 PolarHBondContact O-N 2.97Å |
| 505 | I | 96 | Very high | 94.2 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.6 | -48.9 | 177.5 | -68.2 | 165.9 | 0 | 0 | 0 | 109.8 | D440 M443 F444 T501 I502 D507 R508 I509 I525 | D440-I505 HydrophobicContact CB-CD1 4.49Å; D440-I505 HydrophobicContact CB-CG1 3.9Å; M443-I505 HydrophobicContact CB-CD1 3.67Å; M443-I505 HydrophobicContact CG-CD1 3.53Å; F444-I505 HydrophobicContact CB-CG2 4.42Å; F444-I505 HydrophobicContact CD2-CG2 4.3Å; T501-I505 HydrophobicContact CG2-CD1 4.08Å; T501-I505 WeakPolarHBondContact O-CG1 3.1Å; T501-I505 PolarHBondContact O-N 3.03Å; I502-I505 PolarHBondContact O-N 2.93Å; I505-D507 VanDerWaalsContact C-N 3.34Å; I505-D507 PolarHBondContact O-N 3.36Å; I505-R508 PolarHBondContact O-N 3Å; I505-R508 VanDerWaalsContact O-N 3.15Å; I505-I509 HydrophobicContact CG2-CD1 3.62Å; I505-I509 HydrophobicContact CG2-CG1 4.19Å; I505-I509 WeakPolarHBondContact O-CG1 3.37Å; I505-I509 PolarHBondContact O-N 3.43Å; I505-I525 HydrophobicContact CG2-CD1 4.49Å; I505-I525 HydrophobicContact CG2-CG1 4.44Å |
| 506 | R | 95.7 | Very high | 93.9 | Very high | 61 Ų | 61 | 48.4 Ų | 48.4 | 23% | 0.23 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -51.8 | -52 | 175 | -179.6 | -161.3 | 69.8 | 172.4 | -1 | 111.5 | I502 G503 R508 I509 Q510 I525 H529 | I502-R506 PolarHBondContact O-N 2.91Å; G503-R506 WeakPolarHBondContact O-CB 3.31Å; G503-R506 PolarHBondContact O-N 3.19Å; R506-R508 VanDerWaalsContact C-N 3.28Å; R506-R508 PolarHBondContact O-N 3.18Å; R506-I509 PolarHBondContact O-N 3.2Å; R506-Q510 WeakPolarHBondContact O-CB 3.42Å; R506-Q510 PolarHBondContact O-N 2.93Å; R506-I525 HydrophobicContact CB-CG1 4.04Å; R506-I525 HydrophobicContact CB-CG2 4.2Å; R506-I525 HydrophobicContact CG-CG2 4.11Å; R506-H529 PolarHBondContact NH1-CE1 3.1Å; R506-H529 VanDerWaalsContact NH1-CE1 3.34Å; R506-H529 PolarHBondContact NH1-ND1 2.79Å; R506-H529 VanDerWaalsContact NH1-ND1 3.15Å |
| 507 | D | 94.8 | Very high | 93.7 | Very high | 61 Ų | 61 | 47 Ų | 47 | 33% | 0.326 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -65.7 | -31.3 | -177.3 | -64.6 | -9.9 | 0 | 0 | 0 | 112.3 | G503 R504 I505 R511 | G503-D507 VanDerWaalsContact O-CG 3.27Å; G503-D507 PolarHBondContact O-N 3.35Å; G503-D507 VanDerWaalsContact O-N 3.1Å; R504-D507 PolarHBondContact O-N 3.45Å; I505-D507 VanDerWaalsContact C-N 3.34Å; I505-D507 PolarHBondContact O-N 3.36Å; D507-R511 WeakPolarHBondContact O-CG 3.2Å; D507-R511 PolarHBondContact O-NE 3.37Å |
| 508 | R | 94.5 | Very high | 93.6 | Very high | 26 Ų | 26 | 42.7 Ų | 42.7 | 10% | 0.098 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -75.2 | -42.7 | 175.5 | -73.3 | 176.1 | 167.2 | 175.9 | -6.9 | 112 | S433 A435 V436 D440 R504 I505 R506 Q510 R511 L512 | S433-R508 PolarHBondContact O-NE 3.08Å; S433-R508 PolarHBondContact O-NH2 3.45Å; S433-R508 PolarHBondContact OG-NH2 2.98Å; A435-R508 WeakPolarHBondContact O-CD 3.48Å; A435-R508 PolarHBondContact O-NE 2.76Å; V436-R508 HydrophobicContact CG2-CB 3.7Å; D440-R508 VanDerWaalsContact CG-NH1 3.35Å; D440-R508 IonicContact OD1-NH1 3.91Å; D440-R508 PolarHBondContact OD1-NH1 3.35Å; D440-R508 WeakPolarHBondContact OD2-CD 3.42Å; D440-R508 IonicContact OD2-CZ 2.66Å; D440-R508 IonicContact OD2-NE 3.51Å; D440-R508 IonicContact OD2-NH1 3.62Å; D440-R508 PolarHBondContact OD2-NH1 2.89Å; R504-R508 WeakPolarHBondContact O-CB 3.35Å; R504-R508 WeakPolarHBondContact O-CG 3.49Å; R504-R508 PolarHBondContact O-N 2.97Å; I505-R508 PolarHBondContact O-N 3Å; I505-R508 VanDerWaalsContact O-N 3.15Å; R506-R508 VanDerWaalsContact C-N 3.28Å; R506-R508 PolarHBondContact O-N 3.18Å; R508-Q510 VanDerWaalsContact C-N 3.33Å; R508-Q510 PolarHBondContact O-N 3.29Å; R508-R511 CarbonylContact O-C 3.6Å; R508-R511 PolarHBondContact O-N 2.9Å; R508-R511 VanDerWaalsContact O-N 3.1Å; R508-L512 PolarHBondContact O-N 3.43Å |
| 509 | I | 93.5 | Very high | 93.4 | Very high | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.9 | -40.7 | 176.2 | -69.9 | 176.4 | 0 | 0 | 0 | 111 | V436 F444 I505 R506 R511 L512 S518 L521 V522 | V436-I509 HydrophobicContact CG2-CG1 4.47Å; F444-I509 HydrophobicContact CD2-CD1 3.53Å; F444-I509 HydrophobicContact CE2-CD1 3.66Å; F444-I509 HydrophobicContact CG-CD1 4.27Å; F444-I509 HydrophobicContact CZ-CD1 4.49Å; I505-I509 HydrophobicContact CG2-CD1 3.62Å; I505-I509 HydrophobicContact CG2-CG1 4.19Å; I505-I509 WeakPolarHBondContact O-CG1 3.37Å; I505-I509 PolarHBondContact O-N 3.43Å; R506-I509 PolarHBondContact O-N 3.2Å; I509-R511 PolarHBondContact O-N 3.15Å; I509-L512 HydrophobicContact CB-CD1 4.42Å; I509-L512 HydrophobicContact CG2-CD1 4.17Å; I509-L512 WeakPolarHBondContact O-CB 3.3Å; I509-L512 WeakPolarHBondContact O-CG 3.38Å; I509-L512 PolarHBondContact O-N 3.45Å; I509-L512 VanDerWaalsContact O-N 3.14Å; I509-S518 PolarHBondContact O-OG 2.7Å; I509-L521 HydrophobicContact CG2-CB 4.03Å; I509-V522 HydrophobicContact CG2-CG2 3.98Å |
| 510 | Q | 92.9 | Very high | 93.3 | Very high | 110 Ų | 110 | 51 Ų | 51 | 51% | 0.514 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.7 | -27.5 | 176.1 | -169.4 | 177.3 | 7.1 | 0 | 0 | 113 | R506 R508 S518 V522 | R506-Q510 WeakPolarHBondContact O-CB 3.42Å; R506-Q510 PolarHBondContact O-N 2.93Å; R508-Q510 VanDerWaalsContact C-N 3.33Å; R508-Q510 PolarHBondContact O-N 3.29Å; Q510-S518 WeakPolarHBondContact CA-OG 3.49Å; Q510-S518 PolarHBondContact O-OG 3.19Å; Q510-V522 HydrophobicContact CB-CG2 4.2Å |
| 511 | R | 91.3 | Very high | 93.2 | Very high | 122 Ų | 122 | 48.1 Ų | 48.1 | 46% | 0.46 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 5.4 | 179.7 | -71.8 | -179.4 | -70.3 | 140.2 | -2.6 | 113.8 | V434 D507 R508 I509 | V434-R511 PolarHBondContact O-NH1 3.12Å; D507-R511 WeakPolarHBondContact O-CG 3.2Å; D507-R511 PolarHBondContact O-NE 3.37Å; R508-R511 CarbonylContact O-C 3.6Å; R508-R511 PolarHBondContact O-N 2.9Å; R508-R511 VanDerWaalsContact O-N 3.1Å; I509-R511 PolarHBondContact O-N 3.15Å |
| 512 | L | 90.1 | Very high | 93.2 | Very high | 3 Ų | 3 | 47.7 Ų | 47.7 | 2% | 0.016 | 22% | 0.223 | C | C | . | . | trans | -55.5 | 141.9 | 176.6 | -80.6 | 171.2 | 0 | 0 | 0 | 111.4 | M373 V436 R508 I509 S514 I517 | M373-L512 HydrophobicContact CB-CD2 4.13Å; M373-L512 HydrophobicContact SD-CD1 3.86Å; M373-L512 HydrophobicContact SD-CD2 4.18Å; V436-L512 HydrophobicContact CB-CD2 4.25Å; V436-L512 HydrophobicContact CG2-CD2 3.64Å; V436-L512 HydrophobicContact CG2-CG 4.02Å; R508-L512 PolarHBondContact O-N 3.43Å; I509-L512 HydrophobicContact CB-CD1 4.42Å; I509-L512 HydrophobicContact CG2-CD1 4.17Å; I509-L512 WeakPolarHBondContact O-CB 3.3Å; I509-L512 WeakPolarHBondContact O-CG 3.38Å; I509-L512 PolarHBondContact O-N 3.45Å; I509-L512 VanDerWaalsContact O-N 3.14Å; L512-S514 VanDerWaalsContact C-N 3.3Å; L512-S514 PolarHBondContact O-N 3.31Å; L512-I517 HydrophobicContact CD1-CG2 4.15Å | ||
| 513 | P | 88.4 | Confident | 93 | Very high | 68 Ų | 68 | 51.4 Ų | 51.4 | 44% | 0.442 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -60.2 | -39.9 | 174.2 | -23.6 | 33.7 | 0 | 0 | 0 | 112.5 | K515 | P513-K515 PolarHBondContact O-N 3.38Š|
| 514 | S | 86.8 | Confident | 93 | Very high | 35 Ų | 35 | 52 Ų | 52 | 25% | 0.245 | 25% | 0.247 | C | C | . | . | trans | -77.3 | 104.3 | 175.3 | -176.8 | 0 | 0 | 0 | 0 | 110.8 | L512 S516 I517 S518 | L512-S514 VanDerWaalsContact C-N 3.3Å; L512-S514 PolarHBondContact O-N 3.31Å; S514-S516 VanDerWaalsContact C-N 3.34Å; S514-I517 WeakPolarHBondContact OG-CG1 3.43Å; S514-S518 PolarHBondContact O-N 3.48Å; S514-S518 VanDerWaalsContact O-N 3.15Å | ||
| 515 | K | 89.7 | Confident | 93 | Very high | 102 Ų | 102 | 46.5 Ų | 46.5 | 44% | 0.443 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -68.3 | -31.3 | 177.3 | -65.3 | -54.9 | -177.2 | -164.8 | 0 | 113.4 | P513 S518 Y519 | P513-K515 PolarHBondContact O-N 3.38Å; K515-S518 PolarHBondContact O-N 3.4Å; K515-Y519 HydrophobicContact CB-CD2 4.29Å; K515-Y519 HydrophobicContact CB-CE2 3.83Å; K515-Y519 WeakPolarHBondContact O-CD2 3.46Å; K515-Y519 VanDerWaalsContact O-CG 3.26Å; K515-Y519 PolarHBondContact O-N 3.24Å |
| 516 | S | 90.3 | Very high | 92.9 | Very high | 53 Ų | 53 | 48.7 Ų | 48.7 | 37% | 0.371 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -54.3 | -55.9 | 173.4 | -174.5 | 0 | 0 | 0 | 0 | 111.1 | E275 S514 S518 Y519 E520 | E275-S516 PolarHBondContact OE1-OG 2.77Å; S514-S516 VanDerWaalsContact C-N 3.34Å; S516-S518 VanDerWaalsContact C-N 3.34Å; S516-S518 PolarHBondContact O-N 2.92Å; S516-Y519 PolarHBondContact O-N 2.63Å; S516-E520 PolarHBondContact O-N 2.95Å |
| 517 | I | 93 | Very high | 92.5 | Very high | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.9 | -43.5 | 178.6 | -58.7 | 176.9 | 0 | 0 | 0 | 110.7 | E275 W369 L372 M373 L512 S514 Y519 E520 L521 | E275-I517 HydrophobicContact CB-CB 4.4Å; E275-I517 HydrophobicContact CB-CG1 3.88Å; E275-I517 HydrophobicContact CG-CB 4.49Å; E275-I517 HydrophobicContact CG-CG1 3.76Å; W369-I517 HydrophobicContact CZ2-CG2 4.36Å; L372-I517 HydrophobicContact CD2-CD1 4.12Å; M373-I517 HydrophobicContact CE-CG2 3.83Å; M373-I517 HydrophobicContact CG-CD1 3.81Å; M373-I517 HydrophobicContact SD-CG2 4.46Å; L512-I517 HydrophobicContact CD1-CG2 4.15Å; S514-I517 WeakPolarHBondContact OG-CG1 3.43Å; I517-Y519 PolarHBondContact O-N 3.2Å; I517-E520 PolarHBondContact O-N 3.23Å; I517-L521 HydrophobicContact CG2-CD1 3.66Å; I517-L521 HydrophobicContact CG2-CG 4.23Å; I517-L521 WeakPolarHBondContact O-CG 3.32Å; I517-L521 PolarHBondContact O-N 3.02Å; I517-L521 VanDerWaalsContact O-N 3.12Å |
| 518 | S | 93.1 | Very high | 92.4 | Very high | 3 Ų | 3 | 48.7 Ų | 48.7 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.2 | -46.7 | -179.2 | -164.2 | 0 | 0 | 0 | 0 | 112.1 | I509 Q510 S514 K515 S516 E520 L521 V522 | I509-S518 PolarHBondContact O-OG 2.7Å; Q510-S518 WeakPolarHBondContact CA-OG 3.49Å; Q510-S518 PolarHBondContact O-OG 3.19Å; S514-S518 PolarHBondContact O-N 3.48Å; S514-S518 VanDerWaalsContact O-N 3.15Å; K515-S518 PolarHBondContact O-N 3.4Å; S516-S518 VanDerWaalsContact C-N 3.34Å; S516-S518 PolarHBondContact O-N 2.92Å; S518-E520 VanDerWaalsContact C-N 3.35Å; S518-E520 PolarHBondContact O-N 3.4Å; S518-L521 PolarHBondContact O-N 3.02Å; S518-V522 VanDerWaalsContact O-CB 3.3Å; S518-V522 WeakPolarHBondContact O-CB 3.26Å; S518-V522 WeakPolarHBondContact O-CG2 3.42Å; S518-V522 PolarHBondContact O-N 3.43Å |
| 519 | Y | 93.8 | Very high | 92.4 | Very high | 169 Ų | 169 | 48.2 Ų | 48.2 | 66% | 0.663 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -66.4 | -34 | -177.7 | -66.6 | -37.9 | 0 | 0 | 0 | 113.4 | K515 S516 I517 P523 | K515-Y519 HydrophobicContact CB-CD2 4.29Å; K515-Y519 HydrophobicContact CB-CE2 3.83Å; K515-Y519 WeakPolarHBondContact O-CD2 3.46Å; K515-Y519 VanDerWaalsContact O-CG 3.26Å; K515-Y519 PolarHBondContact O-N 3.24Å; S516-Y519 PolarHBondContact O-N 2.63Å; I517-Y519 PolarHBondContact O-N 3.2Å; Y519-P523 VanDerWaalsContact O-CD 3.26Å; Y519-P523 WeakPolarHBondContact O-CD 3.26Å |
| 520 | E | 94.2 | Very high | 92.1 | Very high | 33 Ų | 33 | 51.6 Ų | 51.6 | 15% | 0.154 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -74.9 | -35.3 | 176.5 | -68.8 | -172.9 | 178.1 | 0 | 0 | 112.7 | E273 F274 E275 S516 I517 S518 Y524 | E273-E520 HydrophobicContact CB-CB 4.19Å; E273-E520 HydrophobicContact CB-CG 4.24Å; E273-E520 WeakPolarHBondContact CB-OE2 3.28Å; E273-E520 HydrophobicContact CG-CB 4.25Å; E273-E520 HydrophobicContact CG-CG 4.33Å; F274-E520 PolarHBondContact N-OE1 3.44Å; F274-E520 PolarHBondContact N-OE2 3.28Å; F274-E520 VanDerWaalsContact N-OE2 3.12Å; E275-E520 WeakPolarHBondContact CA-OE2 3.04Å; E275-E520 WeakPolarHBondContact CB-OE2 3.45Å; E275-E520 PolarHBondContact N-OE2 3.15Å; S516-E520 PolarHBondContact O-N 2.95Å; I517-E520 PolarHBondContact O-N 3.23Å; S518-E520 VanDerWaalsContact C-N 3.35Å; S518-E520 PolarHBondContact O-N 3.4Å; E520-Y524 VanDerWaalsContact O-CD2 3.25Å; E520-Y524 WeakPolarHBondContact O-CD2 3.32Å; E520-Y524 VanDerWaalsContact O-CE2 3.31Å; E520-Y524 WeakPolarHBondContact O-CE2 3.31Å |
| 521 | L | 94.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -91.8 | -29 | -173.7 | -58.7 | -175.6 | 0 | 0 | 0 | 114.9 | A276 W369 M373 F444 I509 I517 S518 Y524 I525 | A276-L521 HydrophobicContact CB-CD2 4.32Å; W369-L521 HydrophobicContact CH2-CD1 3.74Å; W369-L521 HydrophobicContact CH2-CD2 4.48Å; W369-L521 HydrophobicContact CZ2-CD1 4.11Å; M373-L521 HydrophobicContact CE-CD1 4.3Å; F444-L521 HydrophobicContact CE1-CD1 4.21Å; F444-L521 HydrophobicContact CE1-CD2 4.21Å; F444-L521 HydrophobicContact CE2-CB 4.49Å; F444-L521 HydrophobicContact CZ-CB 4.02Å; F444-L521 HydrophobicContact CZ-CD1 4.09Å; F444-L521 HydrophobicContact CZ-CD2 3.94Å; F444-L521 HydrophobicContact CZ-CG 4.22Å; I509-L521 HydrophobicContact CG2-CB 4.03Å; I517-L521 HydrophobicContact CG2-CD1 3.66Å; I517-L521 HydrophobicContact CG2-CG 4.23Å; I517-L521 WeakPolarHBondContact O-CG 3.32Å; I517-L521 PolarHBondContact O-N 3.02Å; I517-L521 VanDerWaalsContact O-N 3.12Å; S518-L521 PolarHBondContact O-N 3.02Å; L521-Y524 PolarHBondContact O-N 2.73Å; L521-I525 PolarHBondContact O-N 2.95Å |
| 522 | V | 94.9 | Very high | 91.5 | Very high | 31 Ų | 31 | 43.6 Ų | 43.6 | 19% | 0.188 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.2 | -41.8 | -175.7 | 164.5 | 0 | 0 | 0 | 0 | 113.9 | I509 Q510 S518 Y524 I525 T526 | I509-V522 HydrophobicContact CG2-CG2 3.98Å; Q510-V522 HydrophobicContact CB-CG2 4.2Å; S518-V522 VanDerWaalsContact O-CB 3.3Å; S518-V522 WeakPolarHBondContact O-CB 3.26Å; S518-V522 WeakPolarHBondContact O-CG2 3.42Å; S518-V522 PolarHBondContact O-N 3.43Å; V522-Y524 PolarHBondContact O-N 2.82Å; V522-I525 WeakPolarHBondContact O-CG2 3.14Å; V522-T526 WeakPolarHBondContact O-CB 3.25Å; V522-T526 PolarHBondContact O-N 2.74Å; V522-T526 PolarHBondContact O-OG1 2.81Å |
| 523 | P | 93.6 | Very high | 91.3 | Very high | 77 Ų | 77 | 44.3 Ų | 44.3 | 50% | 0.5 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -55.6 | -49.6 | 179.3 | -27.3 | 36.2 | 0 | 0 | 0 | 112.3 | Y519 T526 E527 | Y519-P523 VanDerWaalsContact O-CD 3.26Å; Y519-P523 WeakPolarHBondContact O-CD 3.26Å; P523-T526 PolarHBondContact O-N 3.42Å; P523-E527 PolarHBondContact O-N 3.45Å |
| 524 | Y | 95.4 | Very high | 90.7 | Very high | 19 Ų | 19 | 42.7 Ų | 42.7 | 8% | 0.075 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.2 | -52.7 | -178.7 | -62 | -71.7 | 0 | 0 | 0 | 112.8 | V245 E273 F448 E520 L521 V522 T526 E527 V528 | V245-Y524 HydrophobicContact CB-CD1 4.13Å; V245-Y524 HydrophobicContact CB-CD2 4.26Å; V245-Y524 HydrophobicContact CB-CE1 3.88Å; V245-Y524 HydrophobicContact CB-CE2 4.01Å; V245-Y524 HydrophobicContact CB-CG 4.31Å; V245-Y524 HydrophobicContact CG1-CD1 3.73Å; V245-Y524 HydrophobicContact CG1-CD2 3.86Å; V245-Y524 HydrophobicContact CG1-CE1 4.03Å; V245-Y524 HydrophobicContact CG1-CE2 4.14Å; V245-Y524 HydrophobicContact CG1-CG 3.64Å; V245-Y524 HydrophobicContact CG2-CE2 4.29Å; E273-Y524 HydrophobicContact CG-CE2 4.25Å; E273-Y524 PolarHBondContact OE1-OH 2.92Å; E273-Y524 PolarHBondContact OE2-OH 3.5Å; F448-Y524 WeakPolarHBondContact CZ-O 3.32Å; E520-Y524 VanDerWaalsContact O-CD2 3.25Å; E520-Y524 WeakPolarHBondContact O-CD2 3.32Å; E520-Y524 VanDerWaalsContact O-CE2 3.31Å; E520-Y524 WeakPolarHBondContact O-CE2 3.31Å; L521-Y524 PolarHBondContact O-N 2.73Å; V522-Y524 PolarHBondContact O-N 2.82Å; Y524-T526 VanDerWaalsContact C-N 3.29Å; Y524-T526 PolarHBondContact O-N 3.47Å; Y524-E527 PolarHBondContact O-N 3.16Å; Y524-V528 PolarHBondContact O-N 2.96Å; Y524-V528 VanDerWaalsContact O-N 3.13Å |
| 525 | I | 95.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -69.4 | -28.4 | -178.4 | -168.6 | 63.5 | 0 | 0 | 0 | 112.6 | F444 L447 F448 I502 I505 R506 L521 V522 H529 | F444-I525 HydrophobicContact CD2-CB 4.43Å; F444-I525 HydrophobicContact CD2-CD1 4.11Å; F444-I525 HydrophobicContact CD2-CG1 4.42Å; F444-I525 HydrophobicContact CE2-CB 4Å; F444-I525 HydrophobicContact CE2-CD1 4.45Å; F444-I525 HydrophobicContact CE2-CG1 4.48Å; L447-I525 HydrophobicContact CD1-CD1 3.97Å; F448-I525 HydrophobicContact CE2-CB 4.46Å; F448-I525 HydrophobicContact CE2-CD1 4.19Å; I502-I525 HydrophobicContact CG2-CD1 3.94Å; I505-I525 HydrophobicContact CG2-CD1 4.49Å; I505-I525 HydrophobicContact CG2-CG1 4.44Å; R506-I525 HydrophobicContact CB-CG1 4.04Å; R506-I525 HydrophobicContact CB-CG2 4.2Å; R506-I525 HydrophobicContact CG-CG2 4.11Å; L521-I525 PolarHBondContact O-N 2.95Å; V522-I525 WeakPolarHBondContact O-CG2 3.14Å; I525-H529 WeakPolarHBondContact O-CB 3.21Å; I525-H529 PolarHBondContact O-N 2.7Å |
| 526 | T | 94.1 | Very high | 90.5 | Very high | 47 Ų | 47 | 39.2 Ų | 39.2 | 29% | 0.288 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -68.5 | -41.6 | 176 | -60.9 | 0 | 0 | 0 | 0 | 110.9 | V522 P523 Y524 T530 | V522-T526 WeakPolarHBondContact O-CB 3.25Å; V522-T526 PolarHBondContact O-N 2.74Å; V522-T526 PolarHBondContact O-OG1 2.81Å; P523-T526 PolarHBondContact O-N 3.42Å; Y524-T526 VanDerWaalsContact C-N 3.29Å; Y524-T526 PolarHBondContact O-N 3.47Å; T526-T530 WeakPolarHBondContact O-CB 3.34Å; T526-T530 PolarHBondContact O-N 3.42Å; T526-T530 PolarHBondContact O-OG1 2.73Å |
| 527 | E | 88.8 | Confident | 89.8 | Confident | 89 Ų | 89 | 37.6 Ų | 37.6 | 42% | 0.416 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -61.6 | -51.8 | 174.8 | -172.9 | 172.3 | 178.8 | 0 | 0 | 110.9 | P523 Y524 H529 T530 V531 | P523-E527 PolarHBondContact O-N 3.45Å; Y524-E527 PolarHBondContact O-N 3.16Å; E527-H529 PolarHBondContact O-N 3.48Å; E527-T530 WeakPolarHBondContact O-CB 3.28Å; E527-T530 PolarHBondContact O-N 2.95Å; E527-T530 VanDerWaalsContact O-N 3.11Å; E527-V531 WeakPolarHBondContact O-CG2 2.84Å; E527-V531 PolarHBondContact O-N 3.29Å |
| 528 | V | 92.1 | Very high | 89 | Confident | 34 Ų | 34 | 39.7 Ų | 39.7 | 21% | 0.206 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.5 | -49 | 177.7 | 171.2 | 0 | 0 | 0 | 0 | 111.5 | L447 F448 I502 Y524 T530 V531 V532 | L447-V528 HydrophobicContact CD1-CG1 4.38Å; L447-V528 HydrophobicContact CD2-CG1 4.28Å; F448-V528 HydrophobicContact CE1-CG2 3.74Å; F448-V528 HydrophobicContact CE2-CG2 4.44Å; F448-V528 HydrophobicContact CZ-CB 4.25Å; F448-V528 HydrophobicContact CZ-CG2 3.43Å; F448-V528 VanDerWaalsContact CZ-CG2 3.43Å; I502-V528 HydrophobicContact CG2-CG1 4.43Å; Y524-V528 PolarHBondContact O-N 2.96Å; Y524-V528 VanDerWaalsContact O-N 3.13Å; V528-T530 VanDerWaalsContact C-N 3.25Å; V528-T530 PolarHBondContact O-N 2.95Å; V528-V531 PolarHBondContact O-N 3.09Å; V528-V532 HydrophobicContact CG1-CG1 4.29Å; V528-V532 WeakPolarHBondContact O-CG1 3.4Å; V528-V532 VanDerWaalsContact O-CG2 3.29Å; V528-V532 WeakPolarHBondContact O-CG2 2.99Å; V528-V532 PolarHBondContact O-N 2.62Å |
| 529 | H | 94.1 | Very high | 88.6 | Confident | 16 Ų | 16 | 39.8 Ų | 39.8 | 7% | 0.074 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.9 | -38.2 | 178 | 175.5 | -112.8 | 0 | 0 | 0 | 112.4 | I502 G503 R506 I525 E527 G533 | I502-H529 HydrophobicContact CG2-CB 3.88Å; G503-H529 WeakPolarHBondContact CA-CD2 3.21Å; G503-H529 WeakPolarHBondContact CA-NE2 3.26Å; G503-H529 PolarHBondContact N-CD2 3.36Å; R506-H529 PolarHBondContact NH1-CE1 3.1Å; R506-H529 VanDerWaalsContact NH1-CE1 3.34Å; R506-H529 PolarHBondContact NH1-ND1 2.79Å; R506-H529 VanDerWaalsContact NH1-ND1 3.15Å; I525-H529 WeakPolarHBondContact O-CB 3.21Å; I525-H529 PolarHBondContact O-N 2.7Å; E527-H529 PolarHBondContact O-N 3.48Å; H529-G533 PolarHBondContact O-N 3.47Å |
| 530 | T | 86.2 | Confident | 87.9 | Confident | 71 Ų | 71 | 35.6 Ų | 35.6 | 44% | 0.436 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -68.3 | -47.3 | 178.4 | -57.6 | 0 | 0 | 0 | 0 | 110.9 | T526 E527 V528 G533 I534 | T526-T530 WeakPolarHBondContact O-CB 3.34Å; T526-T530 PolarHBondContact O-N 3.42Å; T526-T530 PolarHBondContact O-OG1 2.73Å; E527-T530 WeakPolarHBondContact O-CB 3.28Å; E527-T530 PolarHBondContact O-N 2.95Å; E527-T530 VanDerWaalsContact O-N 3.11Å; V528-T530 VanDerWaalsContact C-N 3.25Å; V528-T530 PolarHBondContact O-N 2.95Å; T530-G533 PolarHBondContact O-N 2.93Å; T530-I534 HydrophobicContact CG2-CD1 4.22Å; T530-I534 WeakPolarHBondContact O-CG1 3.49Å; T530-I534 PolarHBondContact O-N 3.42Å |
| 531 | V | 83.8 | Confident | 86.8 | Confident | 53 Ų | 53 | 34.9 Ų | 34.9 | 32% | 0.321 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -62.7 | -48.6 | -179.6 | 173.4 | 0 | 0 | 0 | 0 | 111.6 | E527 V528 G533 I534 I535 | E527-V531 WeakPolarHBondContact O-CG2 2.84Å; E527-V531 PolarHBondContact O-N 3.29Å; V528-V531 PolarHBondContact O-N 3.09Å; V531-G533 VanDerWaalsContact C-N 3.28Å; V531-G533 PolarHBondContact O-N 3.43Å; V531-I534 PolarHBondContact O-N 3.43Å; V531-I535 HydrophobicContact CG1-CD1 4.13Å; V531-I535 WeakPolarHBondContact O-CG1 3.45Å; V531-I535 PolarHBondContact O-N 3.23Å; V531-I535 VanDerWaalsContact O-N 3.1Å |
| 532 | V | 89.5 | Confident | 85.8 | Confident | 11 Ų | 11 | 35 Ų | 35 | 7% | 0.067 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -69.7 | -28.9 | -180 | -55.6 | 0 | 0 | 0 | 0 | 112 | L461 V499 I502 V528 I535 L536 | L461-V532 HydrophobicContact CD2-CG1 3.85Å; V499-V532 HydrophobicContact CB-CG2 4.43Å; V499-V532 HydrophobicContact CG1-CG2 4.09Å; V499-V532 HydrophobicContact CG2-CB 4.04Å; V499-V532 HydrophobicContact CG2-CG2 3.9Å; I502-V532 HydrophobicContact CD1-CG2 4.16Å; V528-V532 HydrophobicContact CG1-CG1 4.29Å; V528-V532 WeakPolarHBondContact O-CG1 3.4Å; V528-V532 VanDerWaalsContact O-CG2 3.29Å; V528-V532 WeakPolarHBondContact O-CG2 2.99Å; V528-V532 PolarHBondContact O-N 2.62Å; V532-I535 PolarHBondContact O-N 3.41Å; V532-L536 WeakPolarHBondContact O-CB 3.38Å; V532-L536 PolarHBondContact O-N 3.34Å |
| 533 | G | 84.7 | Confident | 85 | Confident | 18 Ų | 18 | 36.9 Ų | 36.9 | 19% | 0.186 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63 | -44.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | H529 T530 V531 I535 L536 D537 | H529-G533 PolarHBondContact O-N 3.47Å; T530-G533 PolarHBondContact O-N 2.93Å; V531-G533 VanDerWaalsContact C-N 3.28Å; V531-G533 PolarHBondContact O-N 3.43Å; G533-I535 VanDerWaalsContact C-N 3.32Å; G533-I535 PolarHBondContact O-N 2.95Å; G533-L536 PolarHBondContact O-N 3.41Å; G533-D537 PolarHBondContact O-N 3Å |
| 534 | I | 77.1 | Confident | 83.9 | Confident | 34 Ų | 34 | 36.9 Ų | 36.9 | 17% | 0.174 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.3 | -41.3 | 175.1 | -66.1 | 163.3 | 0 | 0 | 0 | 110.8 | T530 V531 D537 Y538 W578 | T530-I534 HydrophobicContact CG2-CD1 4.22Å; T530-I534 WeakPolarHBondContact O-CG1 3.49Å; T530-I534 PolarHBondContact O-N 3.42Å; V531-I534 PolarHBondContact O-N 3.43Å; I534-D537 PolarHBondContact O-N 3.46Å; I534-Y538 PolarHBondContact O-N 3.23Å; I534-W578 HydrophobicContact CD1-CB 4.12Å |
| 535 | I | 83.8 | Confident | 82.2 | Confident | 56 Ų | 56 | 36 Ų | 36 | 29% | 0.287 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -65 | -40 | 177.3 | -64.6 | 166.7 | 0 | 0 | 0 | 111.1 | Y495 V531 V532 G533 Y538 F539 | Y495-I535 HydrophobicContact CE1-CG2 4.29Å; Y495-I535 VanDerWaalsContact OH-CG2 3.23Å; Y495-I535 WeakPolarHBondContact OH-CG2 3.12Å; V531-I535 HydrophobicContact CG1-CD1 4.13Å; V531-I535 WeakPolarHBondContact O-CG1 3.45Å; V531-I535 PolarHBondContact O-N 3.23Å; V531-I535 VanDerWaalsContact O-N 3.1Å; V532-I535 PolarHBondContact O-N 3.41Å; G533-I535 VanDerWaalsContact C-N 3.32Å; G533-I535 PolarHBondContact O-N 2.95Å; I535-Y538 WeakPolarHBondContact O-CB 3.49Å; I535-Y538 PolarHBondContact O-N 3.47Å; I535-F539 HydrophobicContact CG2-CD2 4.02Å; I535-F539 HydrophobicContact CG2-CE2 3.36Å; I535-F539 HydrophobicContact CG2-CZ 3.65Å; I535-F539 WeakPolarHBondContact O-CD2 3.38Å; I535-F539 PolarHBondContact O-N 3.12Å |
| 536 | L | 87.1 | Confident | 80.4 | Confident | 9 Ų | 9 | 38.4 Ų | 38.4 | 5% | 0.047 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.1 | -43.1 | 174.4 | 174.7 | 60.1 | 0 | 0 | 0 | 112 | L492 Y495 T496 V499 V532 G533 Y538 F539 R540 | L492-L536 HydrophobicContact CD1-CD1 4.11Å; Y495-L536 HydrophobicContact CD1-CB 4.39Å; Y495-L536 HydrophobicContact CD1-CD1 4.14Å; Y495-L536 HydrophobicContact CE1-CB 4.08Å; T496-L536 HydrophobicContact CG2-CD2 4.27Å; T496-L536 VanDerWaalsContact OG1-CD1 3.31Å; T496-L536 WeakPolarHBondContact OG1-CD1 3.32Å; V499-L536 HydrophobicContact CB-CD2 4.18Å; V499-L536 HydrophobicContact CG1-CD2 3.95Å; V499-L536 HydrophobicContact CG2-CB 4.46Å; V499-L536 HydrophobicContact CG2-CD2 4.5Å; V532-L536 WeakPolarHBondContact O-CB 3.38Å; V532-L536 PolarHBondContact O-N 3.34Å; G533-L536 PolarHBondContact O-N 3.41Å; L536-Y538 VanDerWaalsContact C-N 3.26Å; L536-Y538 PolarHBondContact O-N 3.5Å; L536-F539 PolarHBondContact O-N 2.75Å; L536-F539 VanDerWaalsContact O-N 3.17Å; L536-R540 HydrophobicContact CD1-CG 4.44Å; L536-R540 WeakPolarHBondContact O-CG 3.4Å; L536-R540 PolarHBondContact O-N 2.9Å |
| 537 | D | 75.9 | Confident | 78.6 | Confident | 18 Ų | 18 | 37.2 Ų | 37.2 | 10% | 0.096 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.9 | -33.4 | 177.1 | -73.6 | -19.5 | 0 | 0 | 0 | 111.4 | G533 I534 R540 W541 A548 F549 | G533-D537 PolarHBondContact O-N 3Å; I534-D537 PolarHBondContact O-N 3.46Å; D537-R540 PolarHBondContact O-N 2.85Å; D537-R540 IonicContact OD1-NH1 3Å; D537-R540 PolarHBondContact OD1-NH1 3.27Å; D537-W541 WeakPolarHBondContact O-CB 3.33Å; D537-W541 PolarHBondContact O-N 2.93Å; D537-A548 WeakPolarHBondContact CB-O 3.25Å; D537-F549 HydrophobicContact CB-CD2 4.39Å; D537-F549 HydrophobicContact CB-CE2 4.26Å |
| 538 | Y | 77 | Confident | 76.8 | Confident | 45 Ų | 45 | 34.2 Ų | 34.2 | 18% | 0.176 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.3 | -46 | 168.9 | 172.4 | -100 | 0 | 0 | 0 | 112.6 | I534 I535 L536 W541 L542 F601 | I534-Y538 PolarHBondContact O-N 3.23Å; I535-Y538 WeakPolarHBondContact O-CB 3.49Å; I535-Y538 PolarHBondContact O-N 3.47Å; L536-Y538 VanDerWaalsContact C-N 3.26Å; L536-Y538 PolarHBondContact O-N 3.5Å; Y538-W541 HydrophobicContact CD2-CE3 4.11Å; Y538-W541 HydrophobicContact CD2-CZ3 4.45Å; Y538-W541 AromaticContact CE2-CE3 3.95Å; Y538-W541 HydrophobicContact CE2-CE3 3.95Å; Y538-W541 AromaticContact CE2-CZ3 3.87Å; Y538-W541 HydrophobicContact CE2-CZ3 3.87Å; Y538-W541 WeakPolarHBondContact O-CB 3.49Å; Y538-W541 PolarHBondContact O-N 3.22Å; Y538-L542 HydrophobicContact CD1-CD1 4.06Å; Y538-L542 HydrophobicContact CE1-CD1 3.32Å; Y538-L542 HydrophobicContact CE1-CG 4.08Å; Y538-L542 HydrophobicContact CE2-CD1 4.43Å; Y538-L542 HydrophobicContact CE2-CG 4.38Å; Y538-L542 PolarHBondContact O-N 3.26Å; Y538-F601 HydrophobicContact CD1-CE1 4.2Å; Y538-F601 AromaticContact CD1-CZ 3.88Å; Y538-F601 HydrophobicContact CD1-CZ 3.88Å; Y538-F601 HydrophobicContact CE1-CD1 4.42Å; Y538-F601 AromaticContact CE1-CE1 3.29Å; Y538-F601 HydrophobicContact CE1-CE1 3.29Å; Y538-F601 AromaticContact CE1-CZ 3.41Å; Y538-F601 HydrophobicContact CE1-CZ 3.41Å; Y538-F601 VanDerWaalsContact CE1-CZ 3.41Å; Y538-F601 HydrophobicContact CE2-CD1 4.41Å; Y538-F601 AromaticContact CE2-CE1 3.91Å; Y538-F601 HydrophobicContact CE2-CE1 3.91Å; Y538-F601 HydrophobicContact CE2-CZ 4.18Å; Y538-F601 HydrophobicContact CG-CZ 4.44Å; Y538-F601 AromaticContact CZ-CD1 3.87Å; Y538-F601 AromaticContact CZ-CE1 3.12Å; Y538-F601 AromaticContact CZ-CZ 3.61Å; Y538-F601 WeakPolarHBondContact OH-CD1 3.17Å; Y538-F601 WeakPolarHBondContact OH-CE1 3.11Å |
| 539 | F | 83.6 | Confident | 75.1 | Confident | 5 Ų | 5 | 34.5 Ų | 34.5 | 2% | 0.022 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.9 | -37.1 | 177.2 | -63 | -43.1 | 0 | 0 | 0 | 113.2 | G465 L468 R469 L492 Y495 I535 L536 W541 L542 E543 | G465-F539 VanDerWaalsContact O-CZ 3.3Å; G465-F539 WeakPolarHBondContact O-CZ 3.33Å; L468-F539 HydrophobicContact CB-CD1 4.04Å; L468-F539 HydrophobicContact CB-CD2 4.49Å; L468-F539 HydrophobicContact CB-CE1 3.81Å; L468-F539 HydrophobicContact CB-CE2 4.25Å; L468-F539 HydrophobicContact CB-CG 4.41Å; L468-F539 HydrophobicContact CB-CZ 3.93Å; L468-F539 HydrophobicContact CD1-CD2 3.93Å; L468-F539 HydrophobicContact CD1-CE2 3.94Å; L468-F539 HydrophobicContact CD1-CG 4.4Å; L468-F539 HydrophobicContact CD1-CZ 4.46Å; R469-F539 HydrophobicContact CB-CE1 4.28Å; L492-F539 HydrophobicContact CD1-CB 3.6Å; L492-F539 HydrophobicContact CD1-CD2 4.42Å; L492-F539 HydrophobicContact CD1-CG 4.38Å; Y495-F539 HydrophobicContact CD1-CD2 4.08Å; Y495-F539 HydrophobicContact CD1-CE2 4.21Å; Y495-F539 HydrophobicContact CD2-CE2 4.3Å; Y495-F539 HydrophobicContact CE1-CD2 4.05Å; Y495-F539 AromaticContact CE1-CE2 3.95Å; Y495-F539 HydrophobicContact CE1-CE2 3.95Å; Y495-F539 HydrophobicContact CE2-CE2 4.04Å; Y495-F539 HydrophobicContact CG-CD2 4.5Å; Y495-F539 HydrophobicContact CG-CE2 4.4Å; Y495-F539 AromaticContact CZ-CE2 3.88Å; I535-F539 HydrophobicContact CG2-CD2 4.02Å; I535-F539 HydrophobicContact CG2-CE2 3.36Å; I535-F539 HydrophobicContact CG2-CZ 3.65Å; I535-F539 WeakPolarHBondContact O-CD2 3.38Å; I535-F539 PolarHBondContact O-N 3.12Å; L536-F539 PolarHBondContact O-N 2.75Å; L536-F539 VanDerWaalsContact O-N 3.17Å; F539-W541 VanDerWaalsContact C-N 3.28Å; F539-W541 PolarHBondContact O-N 3.46Å; F539-L542 HydrophobicContact CD1-CD1 4.12Å; F539-L542 WeakPolarHBondContact O-CB 3.49Å; F539-L542 PolarHBondContact O-N 3.35Å; F539-L542 VanDerWaalsContact O-N 3.16Å; F539-E543 PolarHBondContact O-N 2.88Å |
| 540 | R | 80.1 | Confident | 73.1 | Confident | 82 Ų | 82 | 43.6 Ų | 43.6 | 31% | 0.309 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -63.9 | -35.6 | 173.7 | -74.7 | 175.4 | 171.9 | 160.7 | -1 | 112.6 | L536 D537 E543 T544 A548 | L536-R540 HydrophobicContact CD1-CG 4.44Å; L536-R540 WeakPolarHBondContact O-CG 3.4Å; L536-R540 PolarHBondContact O-N 2.9Å; D537-R540 PolarHBondContact O-N 2.85Å; D537-R540 IonicContact OD1-NH1 3Å; D537-R540 PolarHBondContact OD1-NH1 3.27Å; R540-E543 PolarHBondContact O-N 3.48Å; R540-T544 PolarHBondContact O-N 3.34Å; R540-T544 PolarHBondContact O-OG1 2.79Å; R540-A548 HydrophobicContact CB-CB 4.2Å |
| 541 | W | 70.8 | Confident | 71.2 | Confident | 17 Ų | 17 | 43.7 Ų | 43.7 | 6% | 0.064 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.9 | -42.3 | 172.2 | 172.8 | 75.4 | 0 | 0 | 0 | 111.2 | D537 Y538 F539 E543 G545 W561 Y566 P604 | D537-W541 WeakPolarHBondContact O-CB 3.33Å; D537-W541 PolarHBondContact O-N 2.93Å; Y538-W541 HydrophobicContact CD2-CE3 4.11Å; Y538-W541 HydrophobicContact CD2-CZ3 4.45Å; Y538-W541 AromaticContact CE2-CE3 3.95Å; Y538-W541 HydrophobicContact CE2-CE3 3.95Å; Y538-W541 AromaticContact CE2-CZ3 3.87Å; Y538-W541 HydrophobicContact CE2-CZ3 3.87Å; Y538-W541 WeakPolarHBondContact O-CB 3.49Å; Y538-W541 PolarHBondContact O-N 3.22Å; F539-W541 VanDerWaalsContact C-N 3.28Å; F539-W541 PolarHBondContact O-N 3.46Å; W541-E543 VanDerWaalsContact C-N 3.31Å; W541-E543 PolarHBondContact O-N 3.34Å; W541-G545 WeakPolarHBondContact O-CA 3.33Å; W541-G545 PolarHBondContact O-N 3.03Å; W541-W561 HydrophobicContact CH2-CE3 4.24Å; W541-W561 HydrophobicContact CH2-CZ3 4.34Å; W541-W561 HydrophobicContact CZ2-CE3 4.06Å; W541-Y566 HydrophobicContact CZ2-CD2 4.41Å; W541-Y566 HydrophobicContact CZ2-CE2 4.01Å; W541-P604 HydrophobicContact CH2-CB 4.41Å; W541-P604 HydrophobicContact CH2-CG 3.76Å; W541-P604 HydrophobicContact CZ3-CG 3.92Å |
| 542 | L | 74.4 | Confident | 69.6 | Low | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63 | -33.3 | 172.5 | -70.3 | 173.8 | 0 | 0 | 0 | 113.3 | C475 Y538 F539 W561 P604 | C475-L542 PolarHBondContact SG-O 3.21Å; Y538-L542 HydrophobicContact CD1-CD1 4.06Å; Y538-L542 HydrophobicContact CE1-CD1 3.32Å; Y538-L542 HydrophobicContact CE1-CG 4.08Å; Y538-L542 HydrophobicContact CE2-CD1 4.43Å; Y538-L542 HydrophobicContact CE2-CG 4.38Å; Y538-L542 PolarHBondContact O-N 3.26Å; F539-L542 HydrophobicContact CD1-CD1 4.12Å; F539-L542 WeakPolarHBondContact O-CB 3.49Å; F539-L542 PolarHBondContact O-N 3.35Å; F539-L542 VanDerWaalsContact O-N 3.16Å; L542-W561 HydrophobicContact CD2-CH2 4.04Å; L542-W561 HydrophobicContact CD2-CZ3 4.16Å; L542-W561 VanDerWaalsContact O-CH2 3.27Å; L542-W561 WeakPolarHBondContact O-CH2 3.46Å; L542-W561 WeakPolarHBondContact O-CZ2 3.22Å; L542-P604 HydrophobicContact CD2-CG 4.31Å |
| 543 | E | 77 | Confident | 67.5 | Low | 71 Ų | 71 | 46.6 Ų | 46.6 | 33% | 0.332 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -72.8 | -53.7 | 178.6 | -177.5 | -169.8 | -168.6 | 0 | 0 | 111.9 | W488 L492 F539 R540 W541 | W488-E543 HydrophobicContact CH2-CB 3.93Å; W488-E543 HydrophobicContact CZ3-CB 3.82Å; W488-E543 HydrophobicContact CZ3-CG 4.05Å; L492-E543 HydrophobicContact CD2-CB 4.26Å; L492-E543 HydrophobicContact CD2-CG 4.41Å; L492-E543 WeakPolarHBondContact CD2-OE2 3.41Å; F539-E543 PolarHBondContact O-N 2.88Å; R540-E543 PolarHBondContact O-N 3.48Å; W541-E543 VanDerWaalsContact C-N 3.31Å; W541-E543 PolarHBondContact O-N 3.34Å |
| 544 | T | 70.1 | Confident | 65.7 | Low | 77 Ų | 77 | 52 Ų | 52 | 47% | 0.472 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -101 | -20.4 | -165.6 | 64.3 | 0 | 0 | 0 | 0 | 113.1 | R540 V546 | R540-T544 PolarHBondContact O-N 3.34Å; R540-T544 PolarHBondContact O-OG1 2.79Å; T544-V546 PolarHBondContact O-N 2.95Å; T544-V546 PolarHBondContact OG1-N 3.04Å; T544-V546 VanDerWaalsContact OG1-N 3.12Å; T544-V546 PolarHBondContact OG1-O 2.89Å |
| 545 | G | 61.1 | Low | 64.3 | Low | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | S | Bend | trans | 75.1 | -8.5 | -167.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | W541 T560 W561 | W541-G545 WeakPolarHBondContact O-CA 3.33Å; W541-G545 PolarHBondContact O-N 3.03Å; G545-T560 CarbonylContact O-C 3.47Å; G545-T560 WeakPolarHBondContact O-CA 3.49Å; G545-W561 VanDerWaalsContact CA-CE2 3.45Å; G545-W561 PolarHBondContact O-N 2.94Å |
| 546 | V | 57.8 | Low | 62.5 | Low | 50 Ų | 50 | 55.2 Ų | 55.2 | 30% | 0.303 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -100.9 | 129.7 | -174.8 | -178.8 | 0 | 0 | 0 | 0 | 107.2 | T544 A548 K556 | T544-V546 PolarHBondContact O-N 2.95Å; T544-V546 PolarHBondContact OG1-N 3.04Å; T544-V546 VanDerWaalsContact OG1-N 3.12Å; T544-V546 PolarHBondContact OG1-O 2.89Å; V546-A548 PolarHBondContact O-N 2.96Å; V546-K556 WeakPolarHBondContact CG1-O 3.39Å |
| 547 | M | 55.4 | Low | 60.5 | Low | 23 Ų | 23 | 66.1 Ų | 66.1 | 11% | 0.113 | 31% | 0.314 | C | S | . | . | trans | -62.4 | 115.8 | 174.7 | -70.9 | -140.1 | 78.2 | 0 | 0 | 110.3 | F549 L559 M569 V570 | M547-F549 HydrophobicContact CE-CD2 4.46Å; M547-L559 HydrophobicContact CB-CB 4.31Å; M547-L559 HydrophobicContact CG-CB 4.15Å; M547-L559 PolarHBondContact N-O 3.24Å; M547-L559 VanDerWaalsContact N-O 3.08Å; M547-M569 HydrophobicContact CE-CE 4.34Å; M547-M569 HydrophobicContact SD-CE 3.35Å; M547-M569 WeakPolarHBondContact SD-CE 3.35Å; M547-V570 HydrophobicContact CE-CG2 3.31Å; M547-V570 HydrophobicContact SD-CG2 3.45Å; M547-V570 WeakPolarHBondContact SD-CG2 3.01Å | ||
| 548 | A | 51.7 | Low | 59 | Low | 25 Ų | 25 | 71 Ų | 71 | 21% | 0.207 | 34% | 0.339 | C | S | . | . | trans | -92.8 | 102.6 | 168.1 | 0 | 0 | 0 | 0 | 0 | 107.2 | D537 R540 V546 | D537-A548 WeakPolarHBondContact CB-O 3.25Å; R540-A548 HydrophobicContact CB-CB 4.2Å; V546-A548 PolarHBondContact O-N 2.96Å | ||
| 549 | F | 56.6 | Low | 57.6 | Low | 41 Ų | 41 | 69.5 Ų | 69.5 | 18% | 0.18 | 34% | 0.335 | C | S | . | . | trans | -129.9 | 143.6 | 168.8 | -122 | -90 | 0 | 0 | 0 | 112.1 | D537 M547 S551 W578 | D537-F549 HydrophobicContact CB-CD2 4.39Å; D537-F549 HydrophobicContact CB-CE2 4.26Å; M547-F549 HydrophobicContact CE-CD2 4.46Å; F549-S551 VanDerWaalsContact C-N 3.3Å; F549-S551 PolarHBondContact O-N 2.98Å; F549-W578 HydrophobicContact CD1-CH2 4.17Å; F549-W578 AromaticContact CE1-CH2 3.48Å; F549-W578 HydrophobicContact CE1-CH2 3.48Å; F549-W578 VanDerWaalsContact CE1-CH2 3.48Å; F549-W578 HydrophobicContact CE1-CZ2 4.17Å; F549-W578 AromaticContact CE1-CZ3 3.8Å; F549-W578 HydrophobicContact CE1-CZ3 3.8Å; F549-W578 HydrophobicContact CE2-CH2 4.46Å; F549-W578 HydrophobicContact CE2-CZ2 4.39Å; F549-W578 AromaticContact CZ-CH2 3.64Å; F549-W578 HydrophobicContact CZ-CH2 3.64Å; F549-W578 AromaticContact CZ-CZ2 3.87Å; F549-W578 HydrophobicContact CZ-CZ2 3.87Å; F549-W578 HydrophobicContact CZ-CZ3 4.09Å | ||
| 550 | R | 51.4 | Low | 56.1 | Low | 206 Ų | 206 | 72 Ų | 72 | 78% | 0.777 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -71.7 | -17.5 | 179.8 | -71.8 | -177.5 | 172.9 | -179.9 | -0.8 | 113.7 | ||
| 551 | S | 47.3 | Very low | 54.5 | Low | 73 Ų | 73 | 71.1 Ų | 71.1 | 51% | 0.51 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -101.6 | -18.9 | -179.5 | 51.5 | 0 | 0 | 0 | 0 | 114.5 | F549 | F549-S551 VanDerWaalsContact C-N 3.3Å; F549-S551 PolarHBondContact O-N 2.98Å |
| 552 | M | 48.7 | Very low | 53.3 | Low | 44 Ų | 44 | 73.6 Ų | 73.6 | 22% | 0.217 | 36% | 0.358 | C | S | . | . | trans | -125.9 | 41.3 | -168.7 | -66.6 | -107.9 | -128.1 | 0 | 0 | 112.8 | H554 L555 M569 | M552-H554 PolarHBondContact O-N 3.18Å; M552-L555 HydrophobicContact CB-CB 4.48Å; M552-L555 HydrophobicContact CB-CD1 4.29Å; M552-L555 HydrophobicContact CE-CD1 4.02Å; M552-L555 HydrophobicContact CG-CD1 4.45Å; M552-L555 PolarHBondContact O-N 3.17Å; M552-L555 HydrophobicContact SD-CD1 3.36Å; M552-L555 WeakPolarHBondContact SD-CD1 3.48Å; M552-L555 HydrophobicContact SD-CG 4.22Å; M552-M569 HydrophobicContact CE-CE 4.42Å; M552-M569 HydrophobicContact CE-CG 3.72Å; M552-M569 HydrophobicContact CE-SD 3.25Å; M552-M569 WeakPolarHBondContact CE-SD 3.39Å; M552-M569 HydrophobicContact SD-SD 4.23Å | ||
| 553 | S | 45.2 | Very low | 51.9 | Low | 82 Ų | 82 | 74 Ų | 74 | 57% | 0.573 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | -55 | -25.9 | -179.2 | 59.2 | 0 | 0 | 0 | 0 | 113.8 | K556 | S553-K556 WeakPolarHBondContact O-CB 3.28Å; S553-K556 WeakPolarHBondContact O-CG 3.37Å; S553-K556 PolarHBondContact O-N 3.49Å |
| 554 | H | 47.9 | Very low | 50.3 | Low | 131 Ų | 131 | 76 Ų | 76 | 61% | 0.606 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | -73.2 | -22.4 | 177.3 | 63 | -82.7 | 0 | 0 | 0 | 113.7 | M552 | M552-H554 PolarHBondContact O-N 3.18Š|
| 555 | L | 48.4 | Very low | 48.8 | Very low | 40 Ų | 40 | 73.7 Ų | 73.7 | 21% | 0.209 | 37% | 0.372 | C | S | . | . | G | 310 helix | trans | -90.1 | -1.3 | 176.4 | -62.8 | 179.9 | 0 | 0 | 0 | 113.5 | M552 R557 L558 L559 M569 | M552-L555 HydrophobicContact CB-CB 4.48Å; M552-L555 HydrophobicContact CB-CD1 4.29Å; M552-L555 HydrophobicContact CE-CD1 4.02Å; M552-L555 HydrophobicContact CG-CD1 4.45Å; M552-L555 PolarHBondContact O-N 3.17Å; M552-L555 HydrophobicContact SD-CD1 3.36Å; M552-L555 WeakPolarHBondContact SD-CD1 3.48Å; M552-L555 HydrophobicContact SD-CG 4.22Å; L555-R557 PolarHBondContact O-N 3.34Å; L555-L558 HydrophobicContact CD2-CD1 3.87Å; L555-L558 PolarHBondContact O-N 3.14Å; L555-L559 HydrophobicContact CB-CD1 3.92Å; L555-L559 HydrophobicContact CB-CG 4.34Å; L555-L559 HydrophobicContact CD1-CD1 3.86Å; L555-L559 HydrophobicContact CG-CD1 4.47Å; L555-L559 PolarHBondContact O-N 3.19Å; L555-M569 HydrophobicContact CD1-SD 3.8Å |
| 556 | K | 45.6 | Very low | 48 | Very low | 118 Ų | 118 | 75.3 Ų | 75.3 | 51% | 0.513 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52 | -20.8 | -178.9 | -87.9 | -175.3 | 172.9 | -175 | 0 | 115.2 | V546 S553 | V546-K556 WeakPolarHBondContact CG1-O 3.39Å; S553-K556 WeakPolarHBondContact O-CB 3.28Å; S553-K556 WeakPolarHBondContact O-CG 3.37Å; S553-K556 PolarHBondContact O-N 3.49Å |
| 557 | R | 45.4 | Very low | 47.2 | Very low | 238 Ų | 238 | 77.4 Ų | 77.4 | 90% | 0.898 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.2 | -10.7 | 177.9 | -73.4 | -177 | 174.3 | 172.1 | -1.6 | 114.2 | L555 | L555-R557 PolarHBondContact O-N 3.34Š|
| 558 | L | 44.4 | Very low | 46.5 | Very low | 119 Ų | 119 | 81.1 Ų | 81.1 | 62% | 0.623 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.6 | -19.1 | -173.4 | -67.4 | 168.5 | 0 | 0 | 0 | 112.3 | L555 S563 | L555-L558 HydrophobicContact CD2-CD1 3.87Å; L555-L558 PolarHBondContact O-N 3.14Å; L558-S563 WeakPolarHBondContact O-CB 3.31Å; L558-S563 PolarHBondContact O-OG 2.99Å |
| 559 | L | 47.3 | Very low | 45.9 | Very low | 15 Ų | 15 | 81 Ų | 81 | 8% | 0.079 | 40% | 0.397 | C | S | . | . | trans | -119.7 | 83.5 | -175.2 | -62.2 | 175.8 | 0 | 0 | 0 | 112.5 | M547 L555 S563 M569 | M547-L559 HydrophobicContact CB-CB 4.31Å; M547-L559 HydrophobicContact CG-CB 4.15Å; M547-L559 PolarHBondContact N-O 3.24Å; M547-L559 VanDerWaalsContact N-O 3.08Å; L555-L559 HydrophobicContact CB-CD1 3.92Å; L555-L559 HydrophobicContact CB-CG 4.34Å; L555-L559 HydrophobicContact CD1-CD1 3.86Å; L555-L559 HydrophobicContact CG-CD1 4.47Å; L555-L559 PolarHBondContact O-N 3.19Å; L559-S563 WeakPolarHBondContact CA-OG 3.4Å; L559-M569 HydrophobicContact CD1-CE 3.39Å; L559-M569 HydrophobicContact CD1-SD 3.36Å; L559-M569 WeakPolarHBondContact CD1-SD 3.37Å | ||
| 560 | T | 51.5 | Low | 45.3 | Very low | 56 Ų | 56 | 82 Ų | 82 | 34% | 0.344 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -87.8 | 174.2 | 163.6 | 68.3 | 0 | 0 | 0 | 0 | 112.3 | G545 F562 S563 | G545-T560 CarbonylContact O-C 3.47Å; G545-T560 WeakPolarHBondContact O-CA 3.49Å; T560-F562 PolarHBondContact O-N 3.33Å; T560-F562 PolarHBondContact OG1-N 3.45Å; T560-S563 WeakPolarHBondContact CA-OG 3.28Å; T560-S563 PolarHBondContact N-OG 2.77Å; T560-S563 PolarHBondContact O-N 2.91Å; T560-S563 VanDerWaalsContact O-N 3.09Å; T560-S563 PolarHBondContact O-OG 2.94Å; T560-S563 VanDerWaalsContact O-OG 3.1Å; T560-S563 PolarHBondContact OG1-OG 2.84Å |
| 561 | W | 47.2 | Very low | 44.8 | Very low | 64 Ų | 64 | 76.1 Ų | 76.1 | 24% | 0.242 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -42.9 | -29.5 | 168.5 | -63.8 | 96.7 | 0 | 0 | 0 | 113.5 | W541 L542 G545 Y566 | W541-W561 HydrophobicContact CH2-CE3 4.24Å; W541-W561 HydrophobicContact CH2-CZ3 4.34Å; W541-W561 HydrophobicContact CZ2-CE3 4.06Å; L542-W561 HydrophobicContact CD2-CH2 4.04Å; L542-W561 HydrophobicContact CD2-CZ3 4.16Å; L542-W561 VanDerWaalsContact O-CH2 3.27Å; L542-W561 WeakPolarHBondContact O-CH2 3.46Å; L542-W561 WeakPolarHBondContact O-CZ2 3.22Å; G545-W561 VanDerWaalsContact CA-CE2 3.45Å; G545-W561 PolarHBondContact O-N 2.94Å; W561-Y566 VanDerWaalsContact O-CE1 3.3Å; W561-Y566 WeakPolarHBondContact O-CE1 3.13Å |
| 562 | F | 45.3 | Very low | 44.3 | Very low | 69 Ų | 69 | 73.8 Ų | 73.8 | 30% | 0.303 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | 15.2 | -168.9 | -53.6 | -95 | 0 | 0 | 0 | 113.7 | T560 A607 P609 | T560-F562 PolarHBondContact O-N 3.33Å; T560-F562 PolarHBondContact OG1-N 3.45Å; F562-A607 VanDerWaalsContact CA-O 3.28Å; F562-A607 WeakPolarHBondContact CA-O 3.25Å; F562-A607 HydrophobicContact CD1-CB 3.13Å; F562-A607 WeakPolarHBondContact CD1-O 3.48Å; F562-A607 HydrophobicContact CE1-CB 3.09Å; F562-A607 HydrophobicContact CG-CB 3.96Å; F562-A607 HydrophobicContact CZ-CB 3.86Å; F562-P609 VanDerWaalsContact O-CB 3.22Å; F562-P609 WeakPolarHBondContact O-CB 3Å; F562-P609 WeakPolarHBondContact O-CD 3.32Å; F562-P609 WeakPolarHBondContact O-CG 3.42Å |
| 563 | S | 45.5 | Very low | 43.7 | Very low | 10 Ų | 10 | 73 Ų | 73 | 7% | 0.07 | 38% | 0.379 | C | S | . | . | trans | -89.1 | 129.5 | -168.9 | -51.4 | 0 | 0 | 0 | 0 | 113 | L558 L559 T560 G565 Y566 | L558-S563 WeakPolarHBondContact O-CB 3.31Å; L558-S563 PolarHBondContact O-OG 2.99Å; L559-S563 WeakPolarHBondContact CA-OG 3.4Å; T560-S563 WeakPolarHBondContact CA-OG 3.28Å; T560-S563 PolarHBondContact N-OG 2.77Å; T560-S563 PolarHBondContact O-N 2.91Å; T560-S563 VanDerWaalsContact O-N 3.09Å; T560-S563 PolarHBondContact O-OG 2.94Å; T560-S563 VanDerWaalsContact O-OG 3.1Å; T560-S563 PolarHBondContact OG1-OG 2.84Å; S563-G565 PolarHBondContact O-N 3.3Å; S563-G565 VanDerWaalsContact O-N 3.13Å; S563-Y566 WeakPolarHBondContact O-CD1 3.27Å; S563-Y566 PolarHBondContact O-N 3.3Å | ||
| 564 | P | 41.7 | Very low | 43.4 | Very low | 113 Ų | 113 | 75.7 Ų | 75.7 | 73% | 0.734 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | 123.5 | 172 | -14.2 | 27.9 | 0 | 0 | 0 | 109 | P609 | P564-P609 HydrophobicContact CG-CG 3.77Š|
| 565 | G | 40.2 | Very low | 43.2 | Very low | 30 Ų | 30 | 76 Ų | 76 | 31% | 0.309 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.3 | -6.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | S563 R567 D568 M569 | S563-G565 PolarHBondContact O-N 3.3Å; S563-G565 VanDerWaalsContact O-N 3.13Å; G565-R567 PolarHBondContact O-N 3.11Å; G565-D568 PolarHBondContact O-N 2.92Å; G565-D568 VanDerWaalsContact O-N 3.08Å; G565-M569 PolarHBondContact O-N 3.44Å; G565-M569 VanDerWaalsContact O-N 3.08Å |
| 566 | Y | 43.6 | Very low | 42.9 | Very low | 35 Ų | 35 | 75.9 Ų | 75.9 | 14% | 0.137 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -60.6 | -33.6 | 171 | 86.9 | -97.8 | 0 | 0 | 0 | 110.7 | W541 W561 S563 M569 V570 | W541-Y566 HydrophobicContact CZ2-CD2 4.41Å; W541-Y566 HydrophobicContact CZ2-CE2 4.01Å; W561-Y566 VanDerWaalsContact O-CE1 3.3Å; W561-Y566 WeakPolarHBondContact O-CE1 3.13Å; S563-Y566 WeakPolarHBondContact O-CD1 3.27Å; S563-Y566 PolarHBondContact O-N 3.3Å; Y566-M569 PolarHBondContact O-N 3.42Å; Y566-V570 WeakPolarHBondContact O-CB 3.48Å; Y566-V570 VanDerWaalsContact O-CG2 3.26Å; Y566-V570 WeakPolarHBondContact O-CG2 3.19Å; Y566-V570 PolarHBondContact O-N 3.12Å |
| 567 | R | 40.4 | Very low | 42.6 | Very low | 94 Ų | 94 | 75 Ų | 75 | 36% | 0.355 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -64.4 | -41.6 | 175.3 | -142.1 | -171.9 | -172.9 | 175.1 | 5.2 | 110.5 | G565 M569 V570 T571 S572 I1092 | G565-R567 PolarHBondContact O-N 3.11Å; R567-M569 VanDerWaalsContact C-N 3.27Å; R567-M569 PolarHBondContact O-N 3.34Å; R567-V570 PolarHBondContact O-N 2.93Å; R567-T571 HydrophobicContact CG-CG2 4.46Å; R567-T571 WeakPolarHBondContact CG-OG1 3.42Å; R567-T571 VanDerWaalsContact O-CA 3.28Å; R567-T571 WeakPolarHBondContact O-CA 3.48Å; R567-T571 VanDerWaalsContact O-CB 3.3Å; R567-T571 WeakPolarHBondContact O-CB 3.44Å; R567-T571 PolarHBondContact O-N 3.19Å; R567-T571 PolarHBondContact O-OG1 3.39Å; R567-S572 PolarHBondContact O-N 2.66Å; R567-I1092 PolarHBondContact NH2-OXT 3.48Å |
| 568 | D | 40.8 | Very low | 42.6 | Very low | 101 Ų | 101 | 66.4 Ų | 66.4 | 54% | 0.54 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -66.9 | -34.3 | 177.6 | -56 | -38.4 | 0 | 0 | 0 | 110.4 | G565 S572 | G565-D568 PolarHBondContact O-N 2.92Å; G565-D568 VanDerWaalsContact O-N 3.08Å; D568-S572 VanDerWaalsContact O-CA 3.31Å; D568-S572 WeakPolarHBondContact O-CA 3.2Å; D568-S572 WeakPolarHBondContact O-CB 3.45Å; D568-S572 PolarHBondContact O-N 2.99Å; D568-S572 PolarHBondContact O-OG 2.97Å |
| 569 | M | 39.9 | Very low | 42.5 | Very low | 22 Ų | 22 | 62.5 Ų | 62.5 | 11% | 0.108 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -79.8 | -27.2 | 179.4 | -148.5 | 179.3 | 79.2 | 0 | 0 | 114.5 | M547 M552 L555 L559 G565 Y566 R567 | M547-M569 HydrophobicContact CE-CE 4.34Å; M547-M569 HydrophobicContact SD-CE 3.35Å; M547-M569 WeakPolarHBondContact SD-CE 3.35Å; M552-M569 HydrophobicContact CE-CE 4.42Å; M552-M569 HydrophobicContact CE-CG 3.72Å; M552-M569 HydrophobicContact CE-SD 3.25Å; M552-M569 WeakPolarHBondContact CE-SD 3.39Å; M552-M569 HydrophobicContact SD-SD 4.23Å; L555-M569 HydrophobicContact CD1-SD 3.8Å; L559-M569 HydrophobicContact CD1-CE 3.39Å; L559-M569 HydrophobicContact CD1-SD 3.36Å; L559-M569 WeakPolarHBondContact CD1-SD 3.37Å; G565-M569 PolarHBondContact O-N 3.44Å; G565-M569 VanDerWaalsContact O-N 3.08Å; Y566-M569 PolarHBondContact O-N 3.42Å; R567-M569 VanDerWaalsContact C-N 3.27Å; R567-M569 PolarHBondContact O-N 3.34Å |
| 570 | V | 43.1 | Very low | 42.3 | Very low | 62 Ų | 62 | 67.7 Ų | 67.7 | 38% | 0.376 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -97.3 | -20.3 | 179.5 | -178.7 | 0 | 0 | 0 | 0 | 112.3 | M547 Y566 R567 | M547-V570 HydrophobicContact CE-CG2 3.31Å; M547-V570 HydrophobicContact SD-CG2 3.45Å; M547-V570 WeakPolarHBondContact SD-CG2 3.01Å; Y566-V570 WeakPolarHBondContact O-CB 3.48Å; Y566-V570 VanDerWaalsContact O-CG2 3.26Å; Y566-V570 WeakPolarHBondContact O-CG2 3.19Å; Y566-V570 PolarHBondContact O-N 3.12Å; R567-V570 PolarHBondContact O-N 2.93Å |
| 571 | T | 41.3 | Very low | 42.5 | Very low | 83 Ų | 83 | 70.4 Ų | 70.4 | 51% | 0.509 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -137 | -7.4 | -172.8 | 72.4 | 0 | 0 | 0 | 0 | 115.8 | R567 | R567-T571 HydrophobicContact CG-CG2 4.46Å; R567-T571 WeakPolarHBondContact CG-OG1 3.42Å; R567-T571 VanDerWaalsContact O-CA 3.28Å; R567-T571 WeakPolarHBondContact O-CA 3.48Å; R567-T571 VanDerWaalsContact O-CB 3.3Å; R567-T571 WeakPolarHBondContact O-CB 3.44Å; R567-T571 PolarHBondContact O-N 3.19Å; R567-T571 PolarHBondContact O-OG1 3.39Å |
| 572 | S | 36.3 | Very low | 42.8 | Very low | 23 Ų | 23 | 68.9 Ų | 68.9 | 16% | 0.161 | 37% | 0.373 | C | S | . | . | trans | -81.7 | 137.1 | 170 | 84.7 | 0 | 0 | 0 | 0 | 110.3 | R567 D568 D574 T579 | R567-S572 PolarHBondContact O-N 2.66Å; D568-S572 VanDerWaalsContact O-CA 3.31Å; D568-S572 WeakPolarHBondContact O-CA 3.2Å; D568-S572 WeakPolarHBondContact O-CB 3.45Å; D568-S572 PolarHBondContact O-N 2.99Å; D568-S572 PolarHBondContact O-OG 2.97Å; S572-D574 PolarHBondContact O-N 3.43Å; S572-T579 PolarHBondContact O-OG1 3.23Å | ||
| 573 | G | 37.3 | Very low | 43.5 | Very low | 27 Ų | 27 | 67.2 Ų | 67.2 | 28% | 0.278 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | 3.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | F580 | G573-F580 WeakPolarHBondContact O-CE2 2.98Š|
| 574 | D | 38.7 | Very low | 44.4 | Very low | 139 Ų | 139 | 73.1 Ų | 73.1 | 74% | 0.743 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -9.5 | -169.3 | -67.9 | -18.3 | 0 | 0 | 0 | 113.7 | S572 | S572-D574 PolarHBondContact O-N 3.43Š|
| 575 | Q | 43.8 | Very low | 45.5 | Very low | 138 Ų | 138 | 72.9 Ų | 72.9 | 65% | 0.645 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -141.5 | 150.4 | 173.2 | -52.8 | -73.5 | -58.5 | 0 | 0 | 103.5 | ||
| 576 | E | 42 | Very low | 46.5 | Very low | 37 Ų | 37 | 72.2 Ų | 72.2 | 17% | 0.173 | 39% | 0.387 | C | S | . | . | trans | 89.4 | 107.9 | 174.3 | -40.4 | -62.6 | -168.3 | 0 | 0 | 118.8 | W578 T579 | E576-W578 HydrophobicContact CB-CD2 3.55Å; E576-W578 HydrophobicContact CB-CE3 3.87Å; E576-W578 HydrophobicContact CB-CG 4.2Å; E576-W578 HydrophobicContact CB-CH2 3.78Å; E576-W578 HydrophobicContact CB-CZ2 3.4Å; E576-W578 HydrophobicContact CB-CZ3 3.96Å; E576-W578 HydrophobicContact CG-CD2 4.29Å; E576-W578 HydrophobicContact CG-CH2 3.53Å; E576-W578 HydrophobicContact CG-CZ2 3.12Å; E576-W578 HydrophobicContact CG-CZ3 4.19Å; E576-W578 PolarHBondContact O-N 3.28Å; E576-W578 VanDerWaalsContact OE1-CH2 3.28Å; E576-W578 WeakPolarHBondContact OE1-CH2 3.12Å; E576-W578 WeakPolarHBondContact OE1-CZ2 3.3Å; E576-W578 WeakPolarHBondContact OE2-CH2 3.36Å; E576-W578 WeakPolarHBondContact OE2-CZ2 3.45Å; E576-W578 WeakPolarHBondContact OE2-CZ3 3.5Å; E576-T579 PolarHBondContact O-N 3.32Å; E576-T579 PolarHBondContact O-OG1 3.22Å | ||
| 577 | P | 38.6 | Very low | 47.3 | Very low | 99 Ų | 99 | 74.2 Ų | 74.2 | 64% | 0.643 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -20.7 | 178.2 | -23.4 | 32.2 | 0 | 0 | 0 | 115.1 | T579 | P577-T579 VanDerWaalsContact C-N 3.32Å; P577-T579 PolarHBondContact O-N 3.14Å |
| 578 | W | 45.7 | Very low | 48.4 | Very low | 58 Ų | 58 | 74.4 Ų | 74.4 | 22% | 0.22 | 41% | 0.405 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -7.9 | -176.7 | 57.1 | 74.2 | 0 | 0 | 0 | 114.4 | I534 F549 E576 R581 | I534-W578 HydrophobicContact CD1-CB 4.12Å; F549-W578 HydrophobicContact CD1-CH2 4.17Å; F549-W578 AromaticContact CE1-CH2 3.48Å; F549-W578 HydrophobicContact CE1-CH2 3.48Å; F549-W578 VanDerWaalsContact CE1-CH2 3.48Å; F549-W578 HydrophobicContact CE1-CZ2 4.17Å; F549-W578 AromaticContact CE1-CZ3 3.8Å; F549-W578 HydrophobicContact CE1-CZ3 3.8Å; F549-W578 HydrophobicContact CE2-CH2 4.46Å; F549-W578 HydrophobicContact CE2-CZ2 4.39Å; F549-W578 AromaticContact CZ-CH2 3.64Å; F549-W578 HydrophobicContact CZ-CH2 3.64Å; F549-W578 AromaticContact CZ-CZ2 3.87Å; F549-W578 HydrophobicContact CZ-CZ2 3.87Å; F549-W578 HydrophobicContact CZ-CZ3 4.09Å; E576-W578 HydrophobicContact CB-CD2 3.55Å; E576-W578 HydrophobicContact CB-CE3 3.87Å; E576-W578 HydrophobicContact CB-CG 4.2Å; E576-W578 HydrophobicContact CB-CH2 3.78Å; E576-W578 HydrophobicContact CB-CZ2 3.4Å; E576-W578 HydrophobicContact CB-CZ3 3.96Å; E576-W578 HydrophobicContact CG-CD2 4.29Å; E576-W578 HydrophobicContact CG-CH2 3.53Å; E576-W578 HydrophobicContact CG-CZ2 3.12Å; E576-W578 HydrophobicContact CG-CZ3 4.19Å; E576-W578 PolarHBondContact O-N 3.28Å; E576-W578 VanDerWaalsContact OE1-CH2 3.28Å; E576-W578 WeakPolarHBondContact OE1-CH2 3.12Å; E576-W578 WeakPolarHBondContact OE1-CZ2 3.3Å; E576-W578 WeakPolarHBondContact OE2-CH2 3.36Å; E576-W578 WeakPolarHBondContact OE2-CZ2 3.45Å; E576-W578 WeakPolarHBondContact OE2-CZ3 3.5Å; W578-R581 WeakPolarHBondContact O-CG 3.32Å |
| 579 | T | 41.6 | Very low | 49.3 | Very low | 38 Ų | 38 | 73.7 Ų | 73.7 | 23% | 0.233 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -33.9 | 175.6 | -43.7 | 0 | 0 | 0 | 0 | 110.1 | S572 E576 P577 R581 | S572-T579 PolarHBondContact O-OG1 3.23Å; E576-T579 PolarHBondContact O-N 3.32Å; E576-T579 PolarHBondContact O-OG1 3.22Å; P577-T579 VanDerWaalsContact C-N 3.32Å; P577-T579 PolarHBondContact O-N 3.14Å; T579-R581 VanDerWaalsContact C-N 3.29Å; T579-R581 PolarHBondContact O-N 2.67Å |
| 580 | F | 45 | Very low | 50.2 | Low | 124 Ų | 124 | 77.5 Ų | 77.5 | 54% | 0.544 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | 44 | 173 | -64.3 | -79.2 | 0 | 0 | 0 | 113.1 | G573 G582 G583 | G573-F580 WeakPolarHBondContact O-CE2 2.98Å; F580-G582 PolarHBondContact O-N 3.34Å; F580-G583 PolarHBondContact O-N 3.49Å |
| 581 | R | 54.2 | Low | 51.1 | Low | 113 Ų | 113 | 78 Ų | 78 | 43% | 0.426 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51 | 90.1 | -176.9 | -62.4 | -162.8 | 167 | -179.2 | -7.5 | 112.2 | W578 T579 T586 | W578-R581 WeakPolarHBondContact O-CG 3.32Å; T579-R581 VanDerWaalsContact C-N 3.29Å; T579-R581 PolarHBondContact O-N 2.67Å; R581-T586 WeakPolarHBondContact O-CB 3.44Å; R581-T586 WeakPolarHBondContact O-CG2 3.31Å; R581-T586 PolarHBondContact O-OG1 2.98Å |
| 582 | G | 53.4 | Low | 51.6 | Low | 32 Ų | 32 | 78.7 Ų | 78.7 | 33% | 0.33 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.5 | 12.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | R243 F580 | R243-G582 PolarHBondContact NH2-O 2.84Å; F580-G582 PolarHBondContact O-N 3.34Å |
| 583 | G | 60.6 | Low | 52.4 | Low | 33 Ų | 33 | 82.6 Ų | 82.6 | 34% | 0.34 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | 68.1 | -159.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | F580 I585 T586 E587 | F580-G583 PolarHBondContact O-N 3.49Å; G583-I585 PolarHBondContact O-N 3.47Å; G583-I585 VanDerWaalsContact O-N 3.13Å; G583-T586 PolarHBondContact O-N 3.24Å; G583-E587 PolarHBondContact O-N 2.98Å |
| 584 | L | 64.9 | Low | 53.2 | Low | 134 Ų | 134 | 85 Ų | 85 | 70% | 0.702 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -51.8 | -36.9 | -177.9 | 178.5 | 62.1 | 0 | 0 | 0 | 113.2 | T586 E587 L588 | L584-T586 VanDerWaalsContact C-N 3.31Å; L584-T586 PolarHBondContact O-N 3.25Å; L584-E587 PolarHBondContact O-N 3.28Å; L584-L588 HydrophobicContact CD1-CD1 4.37Å; L584-L588 HydrophobicContact CD1-CG 4.31Å; L584-L588 HydrophobicContact CG-CD1 4.08Å; L584-L588 HydrophobicContact CG-CG 4.46Å; L584-L588 WeakPolarHBondContact O-CG 2.89Å; L584-L588 PolarHBondContact O-N 3.15Å |
| 585 | I | 64.6 | Low | 53.5 | Low | 109 Ų | 109 | 86.4 Ų | 86.4 | 56% | 0.559 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -58.5 | -44.3 | 179.8 | -65.6 | 172 | 0 | 0 | 0 | 110.9 | G583 L588 Q589 | G583-I585 PolarHBondContact O-N 3.47Å; G583-I585 VanDerWaalsContact O-N 3.13Å; I585-L588 PolarHBondContact O-N 2.82Å; I585-Q589 HydrophobicContact CG2-CG 4.34Å; I585-Q589 WeakPolarHBondContact O-CB 3.48Å; I585-Q589 VanDerWaalsContact O-CG 3.26Å; I585-Q589 WeakPolarHBondContact O-CG 3.43Å; I585-Q589 PolarHBondContact O-N 3.35Å |
| 586 | T | 60.7 | Low | 53.4 | Low | 16 Ų | 16 | 83.6 Ų | 83.6 | 10% | 0.098 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -76.8 | -30.3 | -177.4 | -61.5 | 0 | 0 | 0 | 0 | 112.5 | R243 R581 G583 L584 L588 Q589 R590 | R243-T586 PolarHBondContact NH1-OG1 2.71Å; R581-T586 WeakPolarHBondContact O-CB 3.44Å; R581-T586 WeakPolarHBondContact O-CG2 3.31Å; R581-T586 PolarHBondContact O-OG1 2.98Å; G583-T586 PolarHBondContact O-N 3.24Å; L584-T586 VanDerWaalsContact C-N 3.31Å; L584-T586 PolarHBondContact O-N 3.25Å; T586-L588 VanDerWaalsContact C-N 3.34Å; T586-Q589 PolarHBondContact O-N 3.4Å; T586-Q589 PolarHBondContact OG1-OE1 3.42Å; T586-R590 VanDerWaalsContact O-CG 3.29Å; T586-R590 WeakPolarHBondContact O-CG 3.36Å; T586-R590 PolarHBondContact O-N 3.07Å |
| 587 | E | 59.8 | Low | 53.1 | Low | 76 Ų | 76 | 83.3 Ų | 83.3 | 36% | 0.355 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -60.7 | -44.8 | 168.7 | -67 | -58.5 | 121.2 | 0 | 0 | 111 | G583 L584 R590 I591 | G583-E587 PolarHBondContact O-N 2.98Å; L584-E587 PolarHBondContact O-N 3.28Å; E587-R590 PolarHBondContact O-N 3.13Å; E587-R590 IonicContact OE1-CZ 3.92Å; E587-R590 VanDerWaalsContact OE1-CZ 3.24Å; E587-R590 IonicContact OE1-NH1 3.56Å; E587-R590 PolarHBondContact OE1-NH1 3.45Å; E587-R590 IonicContact OE1-NH2 3.01Å; E587-R590 IonicContact OE2-NH1 3.66Å; E587-I591 WeakPolarHBondContact O-CG1 3.44Å |
| 588 | L | 63.7 | Low | 53.1 | Low | 99 Ų | 99 | 84.5 Ų | 84.5 | 52% | 0.518 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63.8 | -43.1 | 174.6 | -67.9 | 172.1 | 0 | 0 | 0 | 112.2 | L584 I585 T586 R590 I591 L592 | L584-L588 HydrophobicContact CD1-CD1 4.37Å; L584-L588 HydrophobicContact CD1-CG 4.31Å; L584-L588 HydrophobicContact CG-CD1 4.08Å; L584-L588 HydrophobicContact CG-CG 4.46Å; L584-L588 WeakPolarHBondContact O-CG 2.89Å; L584-L588 PolarHBondContact O-N 3.15Å; I585-L588 PolarHBondContact O-N 2.82Å; T586-L588 VanDerWaalsContact C-N 3.34Å; L588-R590 VanDerWaalsContact C-N 3.31Å; L588-R590 PolarHBondContact O-N 3.38Å; L588-I591 PolarHBondContact O-N 2.52Å; L588-I591 VanDerWaalsContact O-N 3.13Å; L588-L592 PolarHBondContact O-N 2.87Å |
| 589 | Q | 60.3 | Low | 52.9 | Low | 85 Ų | 85 | 85.3 Ų | 85.3 | 40% | 0.397 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -60.5 | -37.3 | 177.5 | -76.3 | 171.3 | -25.4 | 0 | 0 | 112.7 | I585 T586 I591 L592 L594 | I585-Q589 HydrophobicContact CG2-CG 4.34Å; I585-Q589 WeakPolarHBondContact O-CB 3.48Å; I585-Q589 VanDerWaalsContact O-CG 3.26Å; I585-Q589 WeakPolarHBondContact O-CG 3.43Å; I585-Q589 PolarHBondContact O-N 3.35Å; T586-Q589 PolarHBondContact O-N 3.4Å; T586-Q589 PolarHBondContact OG1-OE1 3.42Å; Q589-I591 PolarHBondContact O-N 3.33Å; Q589-L592 WeakPolarHBondContact O-CB 3.4Å; Q589-L592 PolarHBondContact O-N 3.43Å; Q589-L594 WeakPolarHBondContact O-CD1 3.44Å |
| 590 | R | 58.7 | Low | 52.7 | Low | 103 Ų | 103 | 89.5 Ų | 89.5 | 39% | 0.389 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -66.6 | -22.8 | 177.6 | -72.6 | 175.4 | -161.7 | 158.5 | 12.8 | 113.4 | T586 E587 L588 | T586-R590 VanDerWaalsContact O-CG 3.29Å; T586-R590 WeakPolarHBondContact O-CG 3.36Å; T586-R590 PolarHBondContact O-N 3.07Å; E587-R590 PolarHBondContact O-N 3.13Å; E587-R590 IonicContact OE1-CZ 3.92Å; E587-R590 VanDerWaalsContact OE1-CZ 3.24Å; E587-R590 IonicContact OE1-NH1 3.56Å; E587-R590 PolarHBondContact OE1-NH1 3.45Å; E587-R590 IonicContact OE1-NH2 3.01Å; E587-R590 IonicContact OE2-NH1 3.66Å; L588-R590 VanDerWaalsContact C-N 3.31Å; L588-R590 PolarHBondContact O-N 3.38Å |
| 591 | I | 61.9 | Low | 52.4 | Low | 73 Ų | 73 | 88.7 Ų | 88.7 | 37% | 0.374 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -83.3 | -23.7 | 178.8 | -61.7 | 164.7 | 0 | 0 | 0 | 111.1 | E587 L588 Q589 A982 A986 | E587-I591 WeakPolarHBondContact O-CG1 3.44Å; L588-I591 PolarHBondContact O-N 2.52Å; L588-I591 VanDerWaalsContact O-N 3.13Å; Q589-I591 PolarHBondContact O-N 3.33Å; I591-A982 HydrophobicContact CD1-CB 4.38Å; I591-A986 HydrophobicContact CG2-CB 3.91Å |
| 592 | L | 52.6 | Low | 51.6 | Low | 97 Ų | 97 | 86.4 Ų | 86.4 | 51% | 0.508 | 47% | 0.466 | S | S | . | . | S | Bend | trans | -67.8 | 146.4 | 176.6 | -63.8 | 176.7 | 0 | 0 | 0 | 110.9 | L588 Q589 L594 | L588-L592 PolarHBondContact O-N 2.87Å; Q589-L592 WeakPolarHBondContact O-CB 3.4Å; Q589-L592 PolarHBondContact O-N 3.43Å; L592-L594 HydrophobicContact CB-CG 4.23Å; L592-L594 PolarHBondContact O-N 3.49Å |
| 593 | P | 52.4 | Low | 50.7 | Low | 104 Ų | 104 | 87.8 Ų | 87.8 | 68% | 0.675 | 47% | 0.474 | S | S | * | . | trans | -73.6 | 71.9 | 178.3 | 32.5 | -35.7 | 0 | 0 | 0 | 110.8 | ||||
| 594 | L | 54.8 | Low | 49.4 | Very low | 77 Ų | 77 | 88.1 Ų | 88.1 | 40% | 0.403 | 47% | 0.47 | S | S | . | . | trans | -89 | 140.7 | 174.1 | -60.8 | 172.6 | 0 | 0 | 0 | 109.4 | Q589 L592 S596 A597 | Q589-L594 WeakPolarHBondContact O-CD1 3.44Å; L592-L594 HydrophobicContact CB-CG 4.23Å; L592-L594 PolarHBondContact O-N 3.49Å; L594-S596 WeakPolarHBondContact CB-OG 3.45Å; L594-S596 PolarHBondContact O-N 3.27Å; L594-A597 HydrophobicContact CB-CB 4.29Å; L594-A597 VanDerWaalsContact O-CB 3.25Å; L594-A597 WeakPolarHBondContact O-CB 3.27Å; L594-A597 PolarHBondContact O-N 2.95Å | ||
| 595 | E | 43.6 | Very low | 47.9 | Very low | 169 Ų | 169 | 83.1 Ų | 83.1 | 79% | 0.79 | 45% | 0.446 | S | S | * | . | G | 310 helix | trans | -55.1 | -33.8 | 168.3 | -74.4 | 179 | 165.9 | 0 | 0 | 111.1 | A597 Q598 | E595-A597 VanDerWaalsContact C-N 3.32Å; E595-A597 PolarHBondContact O-N 3.11Å; E595-Q598 WeakPolarHBondContact O-CB 3.43Å; E595-Q598 WeakPolarHBondContact O-CG 3.31Å; E595-Q598 PolarHBondContact O-N 3.32Å; E595-Q598 VanDerWaalsContact O-N 3.13Å |
| 596 | S | 41.5 | Very low | 46.5 | Very low | 79 Ų | 79 | 79.9 Ų | 79.9 | 55% | 0.552 | 43% | 0.427 | S | S | * | . | G | 310 helix | trans | -72.6 | -16.3 | 174.8 | 58 | 0 | 0 | 0 | 0 | 114.7 | L594 Q598 D599 | L594-S596 WeakPolarHBondContact CB-OG 3.45Å; L594-S596 PolarHBondContact O-N 3.27Å; S596-Q598 PolarHBondContact O-N 3.05Å; S596-D599 PolarHBondContact O-N 3.47Å; S596-D599 VanDerWaalsContact O-N 3.16Å |
| 597 | A | 36.2 | Very low | 45 | Very low | 31 Ų | 31 | 80.4 Ų | 80.4 | 26% | 0.256 | 43% | 0.433 | S | S | . | . | G | 310 helix | trans | -65.9 | -13.8 | 169 | 0 | 0 | 0 | 0 | 0 | 111.5 | L594 E595 D599 L600 | L594-A597 HydrophobicContact CB-CB 4.29Å; L594-A597 VanDerWaalsContact O-CB 3.25Å; L594-A597 WeakPolarHBondContact O-CB 3.27Å; L594-A597 PolarHBondContact O-N 2.95Å; E595-A597 VanDerWaalsContact C-N 3.32Å; E595-A597 PolarHBondContact O-N 3.11Å; A597-D599 VanDerWaalsContact C-N 3.27Å; A597-D599 PolarHBondContact O-N 3.4Å; A597-L600 VanDerWaalsContact O-CD1 3.32Å; A597-L600 WeakPolarHBondContact O-CD1 3.49Å; A597-L600 VanDerWaalsContact O-CG 3.26Å; A597-L600 WeakPolarHBondContact O-CG 3.44Å |
| 598 | Q | 38.2 | Very low | 43.7 | Very low | 125 Ų | 125 | 80.3 Ų | 80.3 | 58% | 0.584 | 44% | 0.438 | S | S | * | . | G | 310 helix | trans | -75.6 | -12 | 174.9 | -54.3 | 177.3 | 21.8 | 0 | 0 | 113.5 | E595 S596 L600 | E595-Q598 WeakPolarHBondContact O-CB 3.43Å; E595-Q598 WeakPolarHBondContact O-CG 3.31Å; E595-Q598 PolarHBondContact O-N 3.32Å; E595-Q598 VanDerWaalsContact O-N 3.13Å; S596-Q598 PolarHBondContact O-N 3.05Å; Q598-L600 PolarHBondContact O-N 3.13Å |
| 599 | D | 42.6 | Very low | 42 | Very low | 74 Ų | 74 | 79.2 Ų | 79.2 | 40% | 0.396 | 44% | 0.436 | S | S | . | . | G | 310 helix | trans | -82.7 | 8 | 175.5 | -90 | -39.9 | 0 | 0 | 0 | 113.9 | H466 R469 S596 A597 F601 | H466-D599 IonicContact CE1-OD1 2.88Å; H466-D599 IonicContact CE1-OD2 2.85Å; R469-D599 IonicContact CZ-OD1 2.77Å; R469-D599 IonicContact NH1-OD1 3.55Å; R469-D599 PolarHBondContact NH1-OD1 3.29Å; R469-D599 IonicContact NH2-OD1 3.88Å; R469-D599 PolarHBondContact NH2-OD1 3.06Å; S596-D599 PolarHBondContact O-N 3.47Å; S596-D599 VanDerWaalsContact O-N 3.16Å; A597-D599 VanDerWaalsContact C-N 3.27Å; A597-D599 PolarHBondContact O-N 3.4Å; D599-F601 PolarHBondContact O-N 3.38Å |
| 600 | L | 37.6 | Very low | 40.5 | Very low | 126 Ų | 126 | 78.4 Ų | 78.4 | 66% | 0.66 | 45% | 0.45 | S | S | * | . | trans | -58.4 | 106.7 | 171.2 | -73.2 | 168.2 | 0 | 0 | 0 | 109.7 | A597 Q598 | A597-L600 VanDerWaalsContact O-CD1 3.32Å; A597-L600 WeakPolarHBondContact O-CD1 3.49Å; A597-L600 VanDerWaalsContact O-CG 3.26Å; A597-L600 WeakPolarHBondContact O-CG 3.44Å; Q598-L600 PolarHBondContact O-N 3.13Å | ||
| 601 | F | 37.8 | Very low | 39.1 | Very low | 107 Ų | 107 | 79.6 Ų | 79.6 | 47% | 0.469 | 46% | 0.462 | S | S | . | . | trans | -37.7 | 122.7 | 174 | -88.7 | -79.1 | 0 | 0 | 0 | 112.1 | R469 Y538 D599 A603 | R469-F601 HydrophobicContact CG-CE1 4.04Å; Y538-F601 HydrophobicContact CD1-CE1 4.2Å; Y538-F601 AromaticContact CD1-CZ 3.88Å; Y538-F601 HydrophobicContact CD1-CZ 3.88Å; Y538-F601 HydrophobicContact CE1-CD1 4.42Å; Y538-F601 AromaticContact CE1-CE1 3.29Å; Y538-F601 HydrophobicContact CE1-CE1 3.29Å; Y538-F601 AromaticContact CE1-CZ 3.41Å; Y538-F601 HydrophobicContact CE1-CZ 3.41Å; Y538-F601 VanDerWaalsContact CE1-CZ 3.41Å; Y538-F601 HydrophobicContact CE2-CD1 4.41Å; Y538-F601 AromaticContact CE2-CE1 3.91Å; Y538-F601 HydrophobicContact CE2-CE1 3.91Å; Y538-F601 HydrophobicContact CE2-CZ 4.18Å; Y538-F601 HydrophobicContact CG-CZ 4.44Å; Y538-F601 AromaticContact CZ-CD1 3.87Å; Y538-F601 AromaticContact CZ-CE1 3.12Å; Y538-F601 AromaticContact CZ-CZ 3.61Å; Y538-F601 WeakPolarHBondContact OH-CD1 3.17Å; Y538-F601 WeakPolarHBondContact OH-CE1 3.11Å; D599-F601 PolarHBondContact O-N 3.38Å; F601-A603 VanDerWaalsContact C-N 3.26Å; F601-A603 PolarHBondContact O-N 3.33Å | ||
| 602 | P | 38.1 | Very low | 37.3 | Very low | 66 Ų | 66 | 80.6 Ų | 80.6 | 43% | 0.429 | 47% | 0.471 | S | S | . | . | trans | -66.6 | 99.2 | 144.3 | 6.6 | 9.4 | 0 | 0 | 0 | 105.3 | ||||
| 603 | A | 34.1 | Very low | 36 | Very low | 60 Ų | 60 | 81.9 Ų | 81.9 | 50% | 0.496 | 48% | 0.484 | S | S | . | . | trans | -51.4 | 141 | 167.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | F601 S605 | F601-A603 VanDerWaalsContact C-N 3.26Å; F601-A603 PolarHBondContact O-N 3.33Å; A603-S605 PolarHBondContact O-N 3.38Å | ||
| 604 | P | 33.3 | Very low | 34.7 | Very low | 40 Ų | 40 | 82.8 Ų | 82.8 | 26% | 0.26 | 48% | 0.482 | S | S | . | . | trans | -51.3 | 111.6 | 170.2 | -25.3 | 34.5 | 0 | 0 | 0 | 108.4 | W541 L542 R606 | W541-P604 HydrophobicContact CH2-CB 4.41Å; W541-P604 HydrophobicContact CH2-CG 3.76Å; W541-P604 HydrophobicContact CZ3-CG 3.92Å; L542-P604 HydrophobicContact CD2-CG 4.31Å; P604-R606 PolarHBondContact O-N 3.44Å; P604-R606 VanDerWaalsContact O-N 3.13Å | ||
| 605 | S | 33.1 | Very low | 33.3 | Very low | 29 Ų | 29 | 84.4 Ų | 84.4 | 20% | 0.203 | 50% | 0.497 | C | S | . | . | trans | -56.9 | 117.6 | 179.4 | 15.1 | 0 | 0 | 0 | 0 | 108.7 | A603 Y1075 L1091 | A603-S605 PolarHBondContact O-N 3.38Å; S605-Y1075 WeakPolarHBondContact OG-CE2 3.11Å; S605-L1091 VanDerWaalsContact CB-N 3.31Å; S605-L1091 WeakPolarHBondContact O-CD1 3.49Å | ||
| 606 | R | 36.1 | Very low | 32.4 | Very low | 42 Ų | 42 | 81.4 Ų | 81.4 | 16% | 0.158 | 49% | 0.493 | C | S | . | . | trans | 15.9 | 116.2 | 172 | -54.8 | -177.1 | -166.6 | -163.9 | 4.1 | 117.4 | P604 V608 A1051 H1052 L1091 I1092 | P604-R606 PolarHBondContact O-N 3.44Å; P604-R606 VanDerWaalsContact O-N 3.13Å; R606-V608 HydrophobicContact CB-CG2 4.07Å; R606-A1051 PolarHBondContact NH2-O 2.88Å; R606-H1052 PolarHBondContact NE-O 3.38Å; R606-H1052 PolarHBondContact NH1-CD2 3.36Å; R606-H1052 PolarHBondContact NH1-O 3.38Å; R606-H1052 PolarHBondContact NH2-O 3.33Å; R606-L1091 HydrophobicContact CB-CB 3.56Å; R606-L1091 HydrophobicContact CB-CD1 3.74Å; R606-L1091 HydrophobicContact CB-CD2 4.15Å; R606-L1091 HydrophobicContact CB-CG 3.98Å; R606-L1091 HydrophobicContact CG-CB 3.51Å; R606-L1091 HydrophobicContact CG-CG 4.4Å; R606-L1091 WeakPolarHBondContact O-CD1 3.44Å; R606-I1092 PolarHBondContact NE-O 3.3Å; R606-I1092 PolarHBondContact NH2-O 3.35Å | ||
| 607 | A | 29.1 | Very low | 31.6 | Very low | 27 Ų | 27 | 84.4 Ų | 84.4 | 22% | 0.223 | 50% | 0.502 | C | S | . | . | trans | -108.8 | 85.8 | 152.3 | 0 | 0 | 0 | 0 | 0 | 105.8 | F562 | F562-A607 VanDerWaalsContact CA-O 3.28Å; F562-A607 WeakPolarHBondContact CA-O 3.25Å; F562-A607 HydrophobicContact CD1-CB 3.13Å; F562-A607 WeakPolarHBondContact CD1-O 3.48Å; F562-A607 HydrophobicContact CE1-CB 3.09Å; F562-A607 HydrophobicContact CG-CB 3.96Å; F562-A607 HydrophobicContact CZ-CB 3.86Å | ||
| 608 | V | 32.1 | Very low | 31 | Very low | 74 Ų | 74 | 89 Ų | 89 | 45% | 0.448 | 52% | 0.523 | S | S | . | . | trans | -69.2 | 136.8 | 178.3 | -175 | 0 | 0 | 0 | 0 | 108.1 | R606 G610 M611 | R606-V608 HydrophobicContact CB-CG2 4.07Å; V608-G610 PolarHBondContact O-N 2.75Å; V608-M611 PolarHBondContact O-N 3.49Å | ||
| 609 | P | 28 | Very low | 30.4 | Very low | 76 Ų | 76 | 95.1 Ų | 95.1 | 49% | 0.494 | 54% | 0.54 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | 103.8 | 172 | 19.7 | -24.8 | 0 | 0 | 0 | 108.8 | F562 P564 | F562-P609 VanDerWaalsContact O-CB 3.22Å; F562-P609 WeakPolarHBondContact O-CB 3Å; F562-P609 WeakPolarHBondContact O-CD 3.32Å; F562-P609 WeakPolarHBondContact O-CG 3.42Å; P564-P609 HydrophobicContact CG-CG 3.77Å |
| 610 | G | 29.8 | Very low | 29.6 | Very low | 67 Ų | 67 | 97.5 Ų | 97.5 | 69% | 0.691 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 149.6 | -26.6 | -166.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | V608 T612 | V608-G610 PolarHBondContact O-N 2.75Å; G610-T612 PolarHBondContact O-N 2.87Å |
| 611 | M | 27.3 | Very low | 29 | Very low | 129 Ų | 129 | 98.7 Ų | 98.7 | 64% | 0.635 | 57% | 0.565 | S | S | * | * | trans | -86.6 | 80.7 | 164.7 | -70.7 | -165.4 | 84.9 | 0 | 0 | 109.8 | V608 T613 | V608-M611 PolarHBondContact O-N 3.49Å; M611-T613 PolarHBondContact O-N 2.95Å; M611-T613 VanDerWaalsContact O-N 3.12Å | ||
| 612 | T | 25 | Very low | 28.6 | Very low | 93 Ų | 93 | 101.4 Ų | 101.4 | 57% | 0.571 | 58% | 0.584 | S | S | * | * | trans | -67.8 | 101.2 | 162.4 | 48.9 | 0 | 0 | 0 | 0 | 108.7 | G610 I614 | G610-T612 PolarHBondContact O-N 2.87Å; T612-I614 PolarHBondContact O-N 3.15Å | ||
| 613 | T | 25.9 | Very low | 28.2 | Very low | 124 Ų | 124 | 103.6 Ų | 103.6 | 76% | 0.761 | 61% | 0.608 | S | S | * | * | trans | -84.1 | 34.2 | 145.9 | 46.7 | 0 | 0 | 0 | 0 | 110.5 | M611 | M611-T613 PolarHBondContact O-N 2.95Å; M611-T613 VanDerWaalsContact O-N 3.12Å | ||
| 614 | I | 25.3 | Very low | 27.9 | Very low | 124 Ų | 124 | 104.8 Ų | 104.8 | 64% | 0.636 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -90 | 125.9 | 149.5 | -56.6 | 176.3 | 0 | 0 | 0 | 104.1 | T612 C616 | T612-I614 PolarHBondContact O-N 3.15Å; I614-C616 VanDerWaalsContact C-N 3.29Å; I614-C616 PolarHBondContact O-N 3.28Å |
| 615 | P | 24.6 | Very low | 27.8 | Very low | 111 Ų | 111 | 108.3 Ų | 108.3 | 72% | 0.721 | 64% | 0.643 | S | S | * | * | trans | -59.8 | 98.8 | 172.9 | 24.5 | -30.1 | 0 | 0 | 0 | 107.5 | L617 | P615-L617 PolarHBondContact O-N 3.35Š| ||
| 616 | C | 25.3 | Very low | 27.7 | Very low | 106 Ų | 106 | 113.3 Ų | 113.3 | 72% | 0.716 | 67% | 0.673 | S | S | * | * | trans | -71.3 | 93.1 | 168.7 | -136.1 | 0 | 0 | 0 | 0 | 105.3 | I614 N618 | I614-C616 VanDerWaalsContact C-N 3.29Å; I614-C616 PolarHBondContact O-N 3.28Å; C616-N618 PolarHBondContact O-N 3.41Å | ||
| 617 | L | 23.8 | Very low | 27.2 | Very low | 142 Ų | 142 | 121.4 Ų | 121.4 | 74% | 0.743 | 71% | 0.705 | S | S | * | * | trans | -46.4 | 133.2 | 161.4 | -88.7 | 103.4 | 0 | 0 | 0 | 108.6 | P615 | P615-L617 PolarHBondContact O-N 3.35Š| ||
| 618 | N | 23.7 | Very low | 27.3 | Very low | 128 Ų | 128 | 127 Ų | 127 | 68% | 0.684 | 74% | 0.736 | S | S | * | * | trans | 77 | 89.9 | 165 | -56.1 | -16.7 | 0 | 0 | 0 | 117.6 | C616 | C616-N618 PolarHBondContact O-N 3.41Š| ||
| 619 | W | 26.2 | Very low | 27.2 | Very low | 252 Ų | 252 | 128.5 Ų | 128.5 | 96% | 0.955 | 75% | 0.747 | S | S | * | * | trans | -136.7 | 110.7 | 130.2 | -84.1 | 81.7 | 0 | 0 | 0 | 109 | ||||
| 620 | T | 24.5 | Very low | 27.4 | Very low | 125 Ų | 125 | 133.4 Ų | 133.4 | 77% | 0.767 | 77% | 0.768 | S | S | * | * | trans | -83.3 | 114.7 | 175.8 | 46.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 621 | D | 26.7 | Very low | 27.7 | Very low | 150 Ų | 150 | 134.3 Ų | 134.3 | 80% | 0.802 | 77% | 0.77 | S | S | * | * | trans | -125 | 86.4 | 156.1 | -90.9 | -26.5 | 0 | 0 | 0 | 107.4 | ||||
| 622 | N | 29.3 | Very low | 28.2 | Very low | 164 Ų | 164 | 134.1 Ų | 134.1 | 88% | 0.877 | 78% | 0.778 | S | S | * | * | trans | 169.9 | 73 | 149.2 | -85.6 | -26 | 0 | 0 | 0 | 109.3 | A624 | N622-A624 PolarHBondContact O-N 2.98Š| ||
| 623 | A | 27.8 | Very low | 28.7 | Very low | 112 Ų | 112 | 135.2 Ų | 135.2 | 93% | 0.926 | 79% | 0.79 | S | S | * | * | trans | -80.9 | 91.6 | 157.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 624 | A | 29.8 | Very low | 29.1 | Very low | 85 Ų | 85 | 136 Ų | 136 | 70% | 0.702 | 79% | 0.794 | S | S | * | * | trans | -132 | 108.3 | 151.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | N622 | N622-A624 PolarHBondContact O-N 2.98Š| ||
| 625 | S | 30.4 | Very low | 29.7 | Very low | 114 Ų | 114 | 135.6 Ų | 135.6 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | S | Bend | trans | 75 | 105.3 | 167.4 | 81.1 | 0 | 0 | 0 | 0 | 117.8 | ||
| 626 | V | 31.1 | Very low | 30.1 | Very low | 135 Ų | 135 | 136.3 Ų | 136.3 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | 151.4 | 111.8 | 111.4 | 174.8 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 627 | Y | 25.9 | Very low | 30.4 | Very low | 212 Ų | 212 | 139.5 Ų | 139.5 | 83% | 0.831 | 81% | 0.81 | S | S | * | * | trans | -60.5 | 139.3 | 178.4 | -77.1 | -103.4 | 0 | 0 | 0 | 113.3 | ||||
| 628 | T | 31.1 | Very low | 30.8 | Very low | 144 Ų | 144 | 139.2 Ų | 139.2 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | -166.4 | 121.9 | 119.9 | 1.3 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 629 | P | 30.1 | Very low | 31.1 | Very low | 105 Ų | 105 | 139.1 Ų | 139.1 | 68% | 0.682 | 81% | 0.814 | S | S | * | * | trans | -109.2 | 152.3 | -175.4 | 38.1 | -29.5 | 0 | 0 | 0 | 113.5 | ||||
| 630 | L | 31.5 | Very low | 31.3 | Very low | 179 Ų | 179 | 134.8 Ų | 134.8 | 94% | 0.937 | 81% | 0.808 | S | S | * | * | trans | 178.4 | 139.3 | 155.3 | -94.9 | 141.2 | 0 | 0 | 0 | 107.9 | ||||
| 631 | A | 35.5 | Very low | 31.4 | Very low | 87 Ų | 87 | 136.5 Ų | 136.5 | 72% | 0.719 | 81% | 0.807 | S | S | * | * | cis | -162.5 | 157.9 | -28.8 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 632 | P | 38.3 | Very low | 31.4 | Very low | 125 Ų | 125 | 135.1 Ų | 135.1 | 81% | 0.812 | 81% | 0.807 | S | S | * | * | trans | -113.4 | 164.1 | -157.5 | 39 | -28.6 | 0 | 0 | 0 | 115 | ||||
| 633 | S | 36.4 | Very low | 31.4 | Very low | 116 Ų | 116 | 131.5 Ų | 131.5 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | trans | -159.4 | 112.2 | 154.4 | 61.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 634 | V | 34.3 | Very low | 31.4 | Very low | 140 Ų | 140 | 133.5 Ų | 133.5 | 85% | 0.848 | 79% | 0.788 | S | S | * | * | trans | 169.1 | 135.9 | 131.8 | 161.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 635 | P | 37.9 | Very low | 31.2 | Very low | 115 Ų | 115 | 137.8 Ų | 137.8 | 75% | 0.747 | 79% | 0.791 | S | S | * | * | trans | -91.3 | 171.1 | -155.5 | 0.8 | 21.4 | 0 | 0 | 0 | 115.2 | ||||
| 636 | P | 32.5 | Very low | 31.1 | Very low | 126 Ų | 126 | 137 Ų | 137 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | -96.1 | 151.2 | -153.6 | 37.1 | -33.7 | 0 | 0 | 0 | 115.2 | ||||
| 637 | M | 32.1 | Very low | 30.9 | Very low | 173 Ų | 173 | 138.2 Ų | 138.2 | 85% | 0.852 | 79% | 0.785 | S | S | * | * | trans | -105.6 | 117 | 159.9 | -72.7 | -142.6 | 75.2 | 0 | 0 | 110.6 | ||||
| 638 | I | 31.4 | Very low | 31 | Very low | 137 Ų | 137 | 136.2 Ų | 136.2 | 70% | 0.703 | 78% | 0.781 | S | S | * | * | trans | 16.3 | 111.5 | 153.9 | -48.2 | 173.9 | 0 | 0 | 0 | 116.8 | ||||
| 639 | P | 30.7 | Very low | 31 | Very low | 125 Ų | 125 | 133.3 Ų | 133.3 | 81% | 0.812 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 118.1 | 166.8 | 29.4 | -23.6 | 0 | 0 | 0 | 110.5 | Q641 | P639-Q641 PolarHBondContact O-N 3.11Š|
| 640 | I | 29.9 | Very low | 31.7 | Very low | 161 Ų | 161 | 138.9 Ų | 138.9 | 83% | 0.826 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 121.7 | 167.1 | -63.3 | 173.5 | 0 | 0 | 0 | 107.6 | ||
| 641 | Q | 26.7 | Very low | 32.5 | Very low | 161 Ų | 161 | 136.5 Ų | 136.5 | 75% | 0.752 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 126 | 178.1 | -77 | 177.2 | -67 | 0 | 0 | 111.5 | P639 S643 | P639-Q641 PolarHBondContact O-N 3.11Å; Q641-S643 PolarHBondContact O-N 3.37Å; Q641-S643 VanDerWaalsContact O-N 3.08Å |
| 642 | P | 27.4 | Very low | 33.5 | Very low | 121 Ų | 121 | 134.3 Ų | 134.3 | 79% | 0.786 | 73% | 0.734 | S | S | * | * | trans | -80.9 | 88 | 167.8 | 32 | -28 | 0 | 0 | 0 | 108 | ||||
| 643 | S | 28.4 | Very low | 34.6 | Very low | 88 Ų | 88 | 131.9 Ų | 131.9 | 62% | 0.615 | 72% | 0.72 | S | S | * | * | trans | -133.1 | 39.1 | 174.4 | 58.7 | 0 | 0 | 0 | 0 | 112.5 | Q641 | Q641-S643 PolarHBondContact O-N 3.37Å; Q641-S643 VanDerWaalsContact O-N 3.08Å | ||
| 644 | I | 27.9 | Very low | 36.4 | Very low | 154 Ų | 154 | 126.4 Ų | 126.4 | 79% | 0.79 | 68% | 0.682 | S | S | * | * | trans | -148.6 | 67.4 | 163.8 | -47.1 | 176.5 | 0 | 0 | 0 | 108.7 | ||||
| 645 | F | 26.4 | Very low | 38.6 | Very low | 176 Ų | 176 | 122.6 Ų | 122.6 | 77% | 0.772 | 66% | 0.656 | S | S | * | * | trans | -136.9 | 115.7 | 160.7 | -79.8 | -76.5 | 0 | 0 | 0 | 107.7 | N647 | F645-N647 PolarHBondContact O-N 2.87Š| ||
| 646 | P | 28.6 | Very low | 40.4 | Very low | 98 Ų | 98 | 117.1 Ų | 117.1 | 64% | 0.636 | 62% | 0.621 | S | S | * | * | trans | -63 | 134.6 | 169.6 | 28.2 | -29.5 | 0 | 0 | 0 | 107.2 | F648 | P646-F648 PolarHBondContact O-N 2.94Š| ||
| 647 | N | 25.4 | Very low | 42.7 | Very low | 159 Ų | 159 | 112.9 Ų | 112.9 | 85% | 0.85 | 59% | 0.588 | S | S | * | * | trans | -48.1 | 95.6 | 179.4 | -74.1 | -33.7 | 0 | 0 | 0 | 111.8 | F645 S649 | F645-N647 PolarHBondContact O-N 2.87Å; N647-S649 PolarHBondContact O-N 3.43Å | ||
| 648 | F | 27.9 | Very low | 45 | Very low | 171 Ų | 171 | 105.1 Ų | 105.1 | 75% | 0.75 | 55% | 0.551 | S | S | * | * | trans | -74.1 | 64.3 | 161.5 | -86.2 | -87.2 | 0 | 0 | 0 | 108.5 | P646 R650 | P646-F648 PolarHBondContact O-N 2.94Å; F648-R650 PolarHBondContact O-N 2.83Å | ||
| 649 | S | 31.1 | Very low | 47.5 | Very low | 82 Ų | 82 | 99.6 Ų | 99.6 | 57% | 0.573 | 52% | 0.521 | S | S | * | . | trans | -82.4 | 108.9 | 172.5 | 163.7 | 0 | 0 | 0 | 0 | 109 | N647 | N647-S649 PolarHBondContact O-N 3.43Š| ||
| 650 | R | 45.3 | Very low | 50.2 | Low | 222 Ų | 222 | 98.6 Ų | 98.6 | 84% | 0.838 | 50% | 0.501 | S | S | * | . | trans | 78.3 | 87.6 | 154.9 | -58.8 | 174.1 | -170.4 | -176.8 | 1.6 | 116.6 | F648 | F648-R650 PolarHBondContact O-N 2.83Š| ||
| 651 | F | 49.1 | Very low | 52.7 | Low | 130 Ų | 130 | 96.5 Ų | 96.5 | 57% | 0.57 | 50% | 0.498 | S | S | * | . | P | Polyproline II helix | trans | -55.5 | 122.2 | 152.2 | -62.8 | -79 | 0 | 0 | 0 | 108.9 | S653 H1052 | F651-S653 PolarHBondContact O-N 3.2Å; F651-H1052 HydrophobicContact CB-CB 4.44Å; F651-H1052 AromaticContact CD1-CD2 3.75Å; F651-H1052 AromaticContact CD1-CE1 3.49Å; F651-H1052 VanDerWaalsContact CD1-CE1 3.49Å; F651-H1052 WeakPolarHBondContact CD1-CE1 3.25Å; F651-H1052 AromaticContact CD1-CG 3.99Å; F651-H1052 AromaticContact CD1-ND1 3.81Å; F651-H1052 AromaticContact CD1-NE2 3.49Å; F651-H1052 WeakPolarHBondContact CD1-NE2 3.4Å; F651-H1052 AromaticContact CE1-CE1 3.94Å; F651-H1052 AromaticContact CE1-NE2 3.66Å |
| 652 | P | 55.9 | Low | 55.7 | Low | 40 Ų | 40 | 95 Ų | 95 | 26% | 0.26 | 49% | 0.491 | S | S | . | . | P | Polyproline II helix | trans | -70.6 | 128 | -174.7 | 27.1 | -33.1 | 0 | 0 | 0 | 110.7 | Y654 P716 | P652-Y654 HydrophobicContact CB-CE2 3.99Å; P652-Y654 HydrophobicContact CG-CE2 4.08Å; P652-P716 HydrophobicContact CB-CG 3.38Å |
| 653 | S | 62.3 | Low | 58.6 | Low | 74 Ų | 74 | 89.7 Ų | 89.7 | 52% | 0.517 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -95.8 | 139.3 | 166.2 | 58 | 0 | 0 | 0 | 0 | 109.4 | F651 | F651-S653 PolarHBondContact O-N 3.2Š|
| 654 | Y | 72.6 | Confident | 61.5 | Low | 2 Ų | 2 | 88.6 Ų | 88.6 | 1% | 0.008 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 146.7 | 177.3 | -61.7 | -89.1 | 0 | 0 | 0 | 110 | P652 V713 M714 P716 F718 V741 L1046 A1051 G1053 A1054 H1055 | P652-Y654 HydrophobicContact CB-CE2 3.99Å; P652-Y654 HydrophobicContact CG-CE2 4.08Å; Y654-V713 HydrophobicContact CD1-CG1 4.08Å; Y654-V713 HydrophobicContact CG-CG1 4.31Å; Y654-M714 CarbonylContact C-O 3.54Å; Y654-M714 WeakPolarHBondContact CA-O 3.26Å; Y654-P716 WeakPolarHBondContact CE1-O 3.43Å; Y654-F718 HydrophobicContact CD1-CE1 4.48Å; Y654-F718 HydrophobicContact CE1-CD1 4.22Å; Y654-F718 AromaticContact CE1-CE1 3.58Å; Y654-F718 HydrophobicContact CE1-CE1 3.58Å; Y654-F718 HydrophobicContact CE1-CZ 4.18Å; Y654-F718 HydrophobicContact CE2-CE1 4.22Å; Y654-F718 AromaticContact CZ-CD1 3.81Å; Y654-F718 AromaticContact CZ-CE1 3.42Å; Y654-F718 VanDerWaalsContact CZ-CE1 3.42Å; Y654-F718 WeakPolarHBondContact OH-CD1 3.36Å; Y654-F718 VanDerWaalsContact OH-CE1 3.24Å; Y654-F718 WeakPolarHBondContact OH-CE1 3.42Å; Y654-V741 HydrophobicContact CD1-CG2 3.68Å; Y654-V741 HydrophobicContact CE1-CG2 3.78Å; Y654-L1046 HydrophobicContact CD1-CD2 4.3Å; Y654-L1046 HydrophobicContact CD2-CD2 3.84Å; Y654-L1046 HydrophobicContact CE2-CD2 4.34Å; Y654-L1046 HydrophobicContact CG-CD2 3.82Å; Y654-A1051 HydrophobicContact CD2-CB 3.55Å; Y654-A1051 HydrophobicContact CE2-CB 3.55Å; Y654-G1053 PolarHBondContact N-O 3.32Å; Y654-A1054 WeakPolarHBondContact O-CA 3.42Å; Y654-H1055 PolarHBondContact O-N 3.18Å; Y654-H1055 PolarHBondContact O-ND1 3.45Å; Y654-H1055 VanDerWaalsContact O-ND1 3.07Å |
| 655 | I | 80.5 | Confident | 64.5 | Low | 59 Ų | 59 | 85.4 Ų | 85.4 | 30% | 0.303 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 117.8 | 171.3 | -60.6 | 167.8 | 0 | 0 | 0 | 107 | R657 V713 M714 H1055 | I655-R657 HydrophobicContact CG2-CB 4.3Å; I655-R657 HydrophobicContact CG2-CG 4.24Å; I655-V713 CarbonylContact O-C 3.54Å; I655-V713 WeakPolarHBondContact O-CA 3.24Å; I655-M714 HydrophobicContact CB-CB 4.15Å; I655-M714 PolarHBondContact N-O 2.92Å; I655-M714 PolarHBondContact O-N 3.03Å; I655-H1055 VanDerWaalsContact CA-O 3.31Å; I655-H1055 WeakPolarHBondContact CA-O 3.26Å; I655-H1055 WeakPolarHBondContact CG1-CE1 3.39Å; I655-H1055 WeakPolarHBondContact CG1-NE2 3.27Å |
| 656 | V | 77.2 | Confident | 67.5 | Low | 0 Ų | 0 | 79 Ų | 79 | 0% | 0 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 111 | 172.6 | -179.8 | 0 | 0 | 0 | 0 | 106.8 | M712 V713 F1039 L1042 L1046 A1054 H1055 V1056 | V656-M712 WeakPolarHBondContact CA-O 3.41Å; V656-V713 HydrophobicContact CG2-CG2 4.42Å; V656-F1039 HydrophobicContact CG1-CE2 3.97Å; V656-L1042 HydrophobicContact CB-CD2 4.29Å; V656-L1042 HydrophobicContact CG1-CD1 4.4Å; V656-L1042 HydrophobicContact CG1-CD2 3.57Å; V656-L1042 HydrophobicContact CG2-CD2 3.69Å; V656-L1046 HydrophobicContact CG2-CD1 3.82Å; V656-A1054 HydrophobicContact CB-CB 4.37Å; V656-A1054 HydrophobicContact CG2-CB 3.64Å; V656-H1055 PolarHBondContact N-O 3.5Å; V656-V1056 WeakPolarHBondContact O-CB 3.46Å; V656-V1056 WeakPolarHBondContact O-CG2 3.46Å |
| 657 | R | 79.6 | Confident | 70.3 | Confident | 37 Ų | 37 | 74.4 Ų | 74.4 | 14% | 0.14 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 156.9 | -177.9 | 64.4 | 171.8 | -179.6 | 76.1 | -3.5 | 111.4 | I655 D663 F711 M712 V1056 | I655-R657 HydrophobicContact CG2-CB 4.3Å; I655-R657 HydrophobicContact CG2-CG 4.24Å; R657-D663 IonicContact CZ-OD1 3.6Å; R657-D663 IonicContact CZ-OD2 2.71Å; R657-D663 IonicContact NH1-OD1 3.99Å; R657-D663 PolarHBondContact NH1-OD1 2.93Å; R657-D663 IonicContact NH1-OD2 3.31Å; R657-D663 PolarHBondContact NH1-OD2 3.39Å; R657-D663 IonicContact NH2-OD1 3.43Å; R657-D663 PolarHBondContact NH2-OD1 2.94Å; R657-D663 IonicContact NH2-OD2 3.2Å; R657-D663 PolarHBondContact NH2-OD2 2.93Å; R657-F711 CarbonylContact O-C 3.52Å; R657-F711 WeakPolarHBondContact O-CA 3.39Å; R657-M712 HydrophobicContact CG-CB 4.46Å; R657-M712 PolarHBondContact N-O 3.3Å; R657-M712 PolarHBondContact O-N 2.98Å; R657-V1056 HydrophobicContact CB-CG2 4.22Å |
| 658 | P | 80.5 | Confident | 73.5 | Confident | 10 Ų | 10 | 67 Ų | 67 | 7% | 0.065 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.3 | 146.7 | 175.6 | -20.7 | 34.8 | 0 | 0 | 0 | 110.9 | F711 Y1069 | P658-F711 HydrophobicContact CG-CE1 4.46Å; P658-Y1069 VanDerWaalsContact CD-OH 3.3Å; P658-Y1069 WeakPolarHBondContact CD-OH 3.3Å; P658-Y1069 HydrophobicContact CG-CE2 4.38Å |
| 659 | Y | 84.5 | Confident | 76.3 | Confident | 21 Ų | 21 | 59.6 Ų | 59.6 | 8% | 0.082 | 31% | 0.311 | C | S | . | . | trans | -58 | 138.6 | 171.9 | 170.6 | -94.3 | 0 | 0 | 0 | 110.3 | D663 K664 M667 L703 P707 C710 M712 | Y659-D663 HydrophobicContact CD2-CB 3.85Å; Y659-D663 HydrophobicContact CE2-CB 3.85Å; Y659-K664 WeakPolarHBondContact OH-CB 3.35Å; Y659-M667 HydrophobicContact CD2-CE 4.47Å; Y659-M667 HydrophobicContact CD2-SD 4.37Å; Y659-M667 HydrophobicContact CE2-CE 4.14Å; Y659-L703 HydrophobicContact CD1-CD2 3.86Å; Y659-L703 HydrophobicContact CD2-CD2 3.89Å; Y659-L703 HydrophobicContact CE1-CB 4.47Å; Y659-L703 HydrophobicContact CE1-CD2 3.66Å; Y659-L703 HydrophobicContact CE1-CG 4.45Å; Y659-L703 HydrophobicContact CE2-CD1 4.18Å; Y659-L703 HydrophobicContact CE2-CD2 3.68Å; Y659-L703 HydrophobicContact CG-CD2 3.98Å; Y659-P707 HydrophobicContact CD1-CB 4.2Å; Y659-P707 HydrophobicContact CE1-CB 4.46Å; Y659-C710 WeakPolarHBondContact CB-O 3.44Å; Y659-C710 HydrophobicContact CG-CB 4.23Å; Y659-C710 PolarHBondContact N-O 3.25Å; Y659-M712 HydrophobicContact CD2-CG 4.45Å; Y659-M712 HydrophobicContact CD2-SD 4.13Å | ||
| 660 | R | 86 | Confident | 79 | Confident | 105 Ų | 105 | 56.2 Ų | 56.2 | 40% | 0.396 | 29% | 0.286 | S | S | . | . | trans | -119.3 | 151.6 | 171 | -60.5 | 174.8 | -178.1 | -179.4 | -2.5 | 108.5 | E662 D663 | R660-E662 HydrophobicContact CB-CG 3.71Å; R660-E662 WeakPolarHBondContact CD-OE1 3.31Å; R660-E662 IonicContact NH1-OE1 3.24Å; R660-E662 PolarHBondContact NH1-OE1 3.13Å; R660-E662 PolarHBondContact O-N 3.27Å; R660-D663 WeakPolarHBondContact CB-OD2 3.13Å; R660-D663 PolarHBondContact N-OD2 2.88Å; R660-D663 VanDerWaalsContact O-CB 3.29Å; R660-D663 WeakPolarHBondContact O-CB 3.14Å; R660-D663 PolarHBondContact O-N 3.34Å | ||
| 661 | P | 84.3 | Confident | 80.9 | Confident | 116 Ų | 116 | 45.9 Ų | 45.9 | 75% | 0.753 | 25% | 0.247 | S | C | * | . | G | 310 helix | trans | -54.1 | -28.4 | 178.8 | -27.9 | 35.7 | 0 | 0 | 0 | 114.7 | D663 K664 | P661-D663 VanDerWaalsContact C-N 3.28Å; P661-D663 PolarHBondContact O-N 3.12Å; P661-K664 WeakPolarHBondContact O-CB 3.44Å; P661-K664 PolarHBondContact O-N 3.4Å |
| 662 | E | 87.8 | Confident | 82.7 | Confident | 130 Ų | 130 | 41.9 Ų | 41.9 | 61% | 0.607 | 23% | 0.228 | S | C | * | . | G | 310 helix | trans | -66.8 | -22.6 | 174.5 | 60 | -164.2 | -161.3 | 0 | 0 | 114.1 | R660 K664 | R660-E662 HydrophobicContact CB-CG 3.71Å; R660-E662 WeakPolarHBondContact CD-OE1 3.31Å; R660-E662 IonicContact NH1-OE1 3.24Å; R660-E662 PolarHBondContact NH1-OE1 3.13Å; R660-E662 PolarHBondContact O-N 3.27Å; E662-K664 VanDerWaalsContact C-N 3.27Å; E662-K664 PolarHBondContact O-N 3.4Å |
| 663 | D | 89.1 | Confident | 84 | Confident | 9 Ų | 9 | 42.2 Ų | 42.2 | 5% | 0.048 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -80.3 | -7.6 | -179.6 | -58.5 | -44.1 | 0 | 0 | 0 | 113.3 | R657 Y659 R660 P661 S665 C666 M667 M712 | R657-D663 IonicContact CZ-OD1 3.6Å; R657-D663 IonicContact CZ-OD2 2.71Å; R657-D663 IonicContact NH1-OD1 3.99Å; R657-D663 PolarHBondContact NH1-OD1 2.93Å; R657-D663 IonicContact NH1-OD2 3.31Å; R657-D663 PolarHBondContact NH1-OD2 3.39Å; R657-D663 IonicContact NH2-OD1 3.43Å; R657-D663 PolarHBondContact NH2-OD1 2.94Å; R657-D663 IonicContact NH2-OD2 3.2Å; R657-D663 PolarHBondContact NH2-OD2 2.93Å; Y659-D663 HydrophobicContact CD2-CB 3.85Å; Y659-D663 HydrophobicContact CE2-CB 3.85Å; R660-D663 WeakPolarHBondContact CB-OD2 3.13Å; R660-D663 PolarHBondContact N-OD2 2.88Å; R660-D663 VanDerWaalsContact O-CB 3.29Å; R660-D663 WeakPolarHBondContact O-CB 3.14Å; R660-D663 PolarHBondContact O-N 3.34Å; P661-D663 VanDerWaalsContact C-N 3.28Å; P661-D663 PolarHBondContact O-N 3.12Å; D663-S665 PolarHBondContact O-N 3.47Å; D663-C666 PolarHBondContact O-N 3.16Å; D663-C666 PolarHBondContact O-SG 3.18Å; D663-M667 WeakPolarHBondContact O-CB 3.49Å; D663-M667 PolarHBondContact O-N 3.17Å; D663-M712 HydrophobicContact CB-CE 4.12Å; D663-M712 HydrophobicContact CB-CG 3.95Å; D663-M712 HydrophobicContact CB-SD 3.97Å |
| 664 | K | 90.4 | Very high | 84.6 | Confident | 65 Ų | 65 | 38.8 Ų | 38.8 | 28% | 0.283 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -51.7 | -46 | -176.5 | -169.7 | -179.7 | 175.6 | -178.6 | 0 | 111.9 | Y659 P661 E662 Y668 D696 L703 | Y659-K664 WeakPolarHBondContact OH-CB 3.35Å; P661-K664 WeakPolarHBondContact O-CB 3.44Å; P661-K664 PolarHBondContact O-N 3.4Å; E662-K664 VanDerWaalsContact C-N 3.27Å; E662-K664 PolarHBondContact O-N 3.4Å; K664-Y668 WeakPolarHBondContact CE-OH 3.32Å; K664-Y668 HydrophobicContact CG-CD1 4.15Å; K664-Y668 HydrophobicContact CG-CE1 3.91Å; K664-Y668 HydrophobicContact CG-CE2 4.36Å; K664-Y668 HydrophobicContact CG-CG 4.49Å; K664-Y668 VanDerWaalsContact O-CB 3.28Å; K664-Y668 WeakPolarHBondContact O-CB 3.38Å; K664-Y668 WeakPolarHBondContact O-CD1 3.48Å; K664-Y668 VanDerWaalsContact O-CG 3.3Å; K664-Y668 PolarHBondContact O-N 3.33Å; K664-D696 IonicContact NZ-OD1 3.59Å; K664-L703 HydrophobicContact CG-CD1 4.28Å |
| 665 | S | 89.3 | Confident | 84.9 | Confident | 88 Ų | 88 | 39.5 Ų | 39.5 | 62% | 0.615 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -68.1 | -40.4 | -175.7 | 60.3 | 0 | 0 | 0 | 0 | 112.7 | D663 G669 | D663-S665 PolarHBondContact O-N 3.47Å; S665-G669 PolarHBondContact O-N 3.48Å |
| 666 | C | 89.4 | Confident | 85 | Confident | 41 Ų | 41 | 36.7 Ų | 36.7 | 28% | 0.277 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -73.5 | -38.4 | 179.8 | 68.7 | 0 | 0 | 0 | 0 | 111.4 | D663 G669 L670 M712 C740 | D663-C666 PolarHBondContact O-N 3.16Å; D663-C666 PolarHBondContact O-SG 3.18Å; C666-G669 PolarHBondContact O-N 2.96Å; C666-L670 PolarHBondContact O-N 3.08Å; C666-M712 VanDerWaalsContact SG-CE 3.5Å; C666-C740 HydrophobicContact CB-CB 4.14Å |
| 667 | M | 88.8 | Confident | 84.8 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.3 | -42.3 | 174.3 | -163.1 | 179.7 | 62.9 | 0 | 0 | 111.5 | Y659 D663 G669 L670 F671 L699 L703 M712 F743 V745 | Y659-M667 HydrophobicContact CD2-CE 4.47Å; Y659-M667 HydrophobicContact CD2-SD 4.37Å; Y659-M667 HydrophobicContact CE2-CE 4.14Å; D663-M667 WeakPolarHBondContact O-CB 3.49Å; D663-M667 PolarHBondContact O-N 3.17Å; M667-G669 VanDerWaalsContact C-N 3.34Å; M667-L670 PolarHBondContact O-N 3.19Å; M667-F671 WeakPolarHBondContact O-CB 3.21Å; M667-F671 PolarHBondContact O-N 2.94Å; M667-L699 HydrophobicContact CE-CB 4.04Å; M667-L699 HydrophobicContact CE-CD1 3.91Å; M667-L699 HydrophobicContact CE-CG 4.43Å; M667-L699 HydrophobicContact CG-CD1 4.19Å; M667-L703 HydrophobicContact CE-CD1 3.29Å; M667-L703 HydrophobicContact CE-CD2 3.51Å; M667-L703 HydrophobicContact CE-CG 3.72Å; M667-L703 HydrophobicContact SD-CD2 4.45Å; M667-M712 HydrophobicContact CB-CE 4.13Å; M667-M712 HydrophobicContact CB-SD 4.1Å; M667-M712 HydrophobicContact CG-SD 4.18Å; M667-M712 HydrophobicContact SD-SD 4.09Å; M667-F743 HydrophobicContact CG-CB 3.81Å; M667-F743 HydrophobicContact CG-CD1 3.48Å; M667-F743 VanDerWaalsContact CG-CD1 3.48Å; M667-F743 HydrophobicContact CG-CD2 3.99Å; M667-F743 HydrophobicContact CG-CE1 3.99Å; M667-F743 HydrophobicContact CG-CE2 4.45Å; M667-F743 HydrophobicContact CG-CG 3.48Å; M667-F743 VanDerWaalsContact CG-CG 3.48Å; M667-F743 HydrophobicContact CG-CZ 4.44Å; M667-F743 HydrophobicContact SD-CB 3.81Å; M667-F743 HydrophobicContact SD-CD1 4.37Å; M667-F743 HydrophobicContact SD-CD2 3.85Å; M667-F743 HydrophobicContact SD-CG 3.76Å; M667-V745 HydrophobicContact SD-CG1 4.26Å |
| 668 | Y | 91.3 | Very high | 84.3 | Confident | 3 Ų | 3 | 40.6 Ų | 40.6 | 1% | 0.012 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.4 | -39.6 | 174.8 | -82 | 26.3 | 0 | 0 | 0 | 111.8 | K664 R672 D692 G695 D696 L699 L700 L703 | K664-Y668 WeakPolarHBondContact CE-OH 3.32Å; K664-Y668 HydrophobicContact CG-CD1 4.15Å; K664-Y668 HydrophobicContact CG-CE1 3.91Å; K664-Y668 HydrophobicContact CG-CE2 4.36Å; K664-Y668 HydrophobicContact CG-CG 4.49Å; K664-Y668 VanDerWaalsContact O-CB 3.28Å; K664-Y668 WeakPolarHBondContact O-CB 3.38Å; K664-Y668 WeakPolarHBondContact O-CD1 3.48Å; K664-Y668 VanDerWaalsContact O-CG 3.3Å; K664-Y668 PolarHBondContact O-N 3.33Å; Y668-R672 WeakPolarHBondContact O-CB 3.28Å; Y668-R672 PolarHBondContact O-N 3.13Å; Y668-D692 HydrophobicContact CD2-CB 4.03Å; Y668-D692 HydrophobicContact CE2-CB 4.21Å; Y668-G695 VanDerWaalsContact CZ-O 3.31Å; Y668-G695 PolarHBondContact OH-O 3.08Å; Y668-D696 WeakPolarHBondContact CE2-OD1 3.19Å; Y668-D696 PolarHBondContact OH-OD1 3.32Å; Y668-L699 HydrophobicContact CD1-CD1 4.08Å; Y668-L699 HydrophobicContact CE1-CB 3.97Å; Y668-L699 HydrophobicContact CE1-CD1 4.31Å; Y668-L700 VanDerWaalsContact OH-CB 3.28Å; Y668-L700 WeakPolarHBondContact OH-CB 3.33Å; Y668-L703 HydrophobicContact CE1-CD1 3.89Å |
| 669 | G | 88.2 | Confident | 83.8 | Confident | 17 Ų | 17 | 41.9 Ų | 41.9 | 18% | 0.175 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.4 | -51.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | S665 C666 M667 R672 K673 | S665-G669 PolarHBondContact O-N 3.48Å; C666-G669 PolarHBondContact O-N 2.96Å; M667-G669 VanDerWaalsContact C-N 3.34Å; G669-R672 PolarHBondContact O-N 3.28Å; G669-K673 WeakPolarHBondContact O-CB 3.47Å; G669-K673 PolarHBondContact O-N 2.97Å |
| 670 | L | 85.8 | Confident | 83.3 | Confident | 10 Ų | 10 | 43.4 Ų | 43.4 | 5% | 0.052 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.5 | -47.9 | 178 | 176.6 | 57.9 | 0 | 0 | 0 | 111.3 | C666 M667 R672 K673 L674 C740 F743 D999 | C666-L670 PolarHBondContact O-N 3.08Å; M667-L670 PolarHBondContact O-N 3.19Å; L670-R672 PolarHBondContact O-N 3.38Å; L670-K673 WeakPolarHBondContact O-CB 3.37Å; L670-K673 PolarHBondContact O-N 2.89Å; L670-L674 HydrophobicContact CD1-CD1 3.84Å; L670-L674 HydrophobicContact CD1-CG 4.04Å; L670-L674 HydrophobicContact CG-CD1 3.9Å; L670-L674 WeakPolarHBondContact O-CG 3.4Å; L670-L674 PolarHBondContact O-N 2.76Å; L670-C740 VanDerWaalsContact CD2-SG 3.58Å; L670-F743 HydrophobicContact CD2-CD1 4.01Å; L670-F743 HydrophobicContact CD2-CE1 4.29Å; L670-F743 HydrophobicContact CG-CD1 4.49Å; L670-F743 HydrophobicContact CG-CE1 4.31Å; L670-D999 HydrophobicContact CD1-CB 3.71Å |
| 671 | F | 85.5 | Confident | 83 | Confident | 5 Ų | 5 | 39.3 Ų | 39.3 | 2% | 0.022 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.7 | -42.6 | 179.4 | -178.8 | -113.2 | 0 | 0 | 0 | 112.7 | M667 L674 L675 P694 Y698 L699 F743 W995 | M667-F671 WeakPolarHBondContact O-CB 3.21Å; M667-F671 PolarHBondContact O-N 2.94Å; F671-L674 PolarHBondContact O-N 3.26Å; F671-L675 HydrophobicContact CE1-CD2 4.11Å; F671-L675 HydrophobicContact CZ-CB 4.4Å; F671-L675 HydrophobicContact CZ-CD2 4.15Å; F671-L675 VanDerWaalsContact O-CB 3.27Å; F671-L675 WeakPolarHBondContact O-CB 3.45Å; F671-L675 PolarHBondContact O-N 2.8Å; F671-P694 HydrophobicContact CD1-CB 3.99Å; F671-P694 HydrophobicContact CE1-CB 3.86Å; F671-P694 WeakPolarHBondContact CE1-O 3.46Å; F671-Y698 AromaticContact CE1-CD2 3.71Å; F671-Y698 HydrophobicContact CE1-CD2 3.71Å; F671-Y698 HydrophobicContact CE1-CG 4.16Å; F671-Y698 AromaticContact CZ-CD2 3.84Å; F671-Y698 HydrophobicContact CZ-CD2 3.84Å; F671-Y698 HydrophobicContact CZ-CG 4.07Å; F671-L699 HydrophobicContact CB-CD1 3.6Å; F671-L699 HydrophobicContact CD1-CD1 3.88Å; F671-L699 HydrophobicContact CD1-CG 4.22Å; F671-L699 HydrophobicContact CG-CD1 3.72Å; F671-L699 HydrophobicContact CG-CG 4.3Å; F671-F743 HydrophobicContact CB-CE1 3.95Å; F671-F743 HydrophobicContact CB-CZ 3.83Å; F671-F743 AromaticContact CD2-CZ 3.89Å; F671-F743 HydrophobicContact CD2-CZ 3.89Å; F671-F743 HydrophobicContact CG-CZ 4.18Å; F671-W995 HydrophobicContact CD2-CH2 4.1Å; F671-W995 AromaticContact CD2-CZ2 3.98Å; F671-W995 HydrophobicContact CD2-CZ2 3.98Å; F671-W995 HydrophobicContact CE1-CH2 4.19Å; F671-W995 AromaticContact CE2-CH2 3.41Å; F671-W995 HydrophobicContact CE2-CH2 3.41Å; F671-W995 VanDerWaalsContact CE2-CH2 3.41Å; F671-W995 AromaticContact CE2-CZ2 3.26Å; F671-W995 HydrophobicContact CE2-CZ2 3.26Å; F671-W995 AromaticContact CZ-CH2 3.45Å; F671-W995 HydrophobicContact CZ-CH2 3.45Å; F671-W995 VanDerWaalsContact CZ-CH2 3.45Å; F671-W995 AromaticContact CZ-CZ2 3.74Å; F671-W995 HydrophobicContact CZ-CZ2 3.74Å |
| 672 | R | 87.5 | Confident | 82.7 | Confident | 46 Ų | 46 | 37.6 Ų | 37.6 | 17% | 0.174 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.3 | -47.7 | 174.2 | 175.1 | 176.8 | 61.4 | -107.9 | -1.6 | 110.9 | Y668 G669 L670 L674 L675 L676 L686 Q691 P694 | Y668-R672 WeakPolarHBondContact O-CB 3.28Å; Y668-R672 PolarHBondContact O-N 3.13Å; G669-R672 PolarHBondContact O-N 3.28Å; L670-R672 PolarHBondContact O-N 3.38Å; R672-L674 VanDerWaalsContact C-N 3.35Å; R672-L674 PolarHBondContact O-N 2.88Å; R672-L675 PolarHBondContact O-N 3.29Å; R672-L676 HydrophobicContact CG-CD1 3.63Å; R672-L676 HydrophobicContact CG-CG 4.11Å; R672-L676 WeakPolarHBondContact O-CB 3.49Å; R672-L676 VanDerWaalsContact O-CG 3.23Å; R672-L676 WeakPolarHBondContact O-CG 3.36Å; R672-L676 PolarHBondContact O-N 3.33Å; R672-L686 HydrophobicContact CG-CD1 4.15Å; R672-Q691 WeakPolarHBondContact CD-O 3.4Å; R672-Q691 PolarHBondContact NH1-O 3.14Å; R672-P694 HydrophobicContact CG-CG 4.46Å |
| 673 | K | 82.5 | Confident | 82.1 | Confident | 48 Ų | 48 | 36.1 Ų | 36.1 | 21% | 0.209 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -56.6 | -48.4 | 178.3 | -177.9 | -166.9 | -179.8 | -146.6 | 0 | 111.2 | G669 L670 A677 E683 D999 I1001 | G669-K673 WeakPolarHBondContact O-CB 3.47Å; G669-K673 PolarHBondContact O-N 2.97Å; L670-K673 WeakPolarHBondContact O-CB 3.37Å; L670-K673 PolarHBondContact O-N 2.89Å; K673-A677 WeakPolarHBondContact O-CB 3.06Å; K673-A677 PolarHBondContact O-N 2.97Å; K673-E683 HydrophobicContact CB-CG 4.09Å; K673-E683 HydrophobicContact CG-CG 3.89Å; K673-D999 IonicContact NZ-OD1 3.5Å; K673-D999 PolarHBondContact NZ-OD1 2.94Å; K673-D999 IonicContact NZ-OD2 2.9Å; K673-D999 PolarHBondContact NZ-OD2 3.11Å; K673-I1001 HydrophobicContact CD-CD1 3.83Å; K673-I1001 HydrophobicContact CG-CD1 3.57Å |
| 674 | L | 76.5 | Confident | 81.8 | Confident | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.5 | -47 | 178.9 | -68.3 | 168.7 | 0 | 0 | 0 | 112.2 | L670 F671 R672 A677 R678 E997 F998 D1000 I1001 | L670-L674 HydrophobicContact CD1-CD1 3.84Å; L670-L674 HydrophobicContact CD1-CG 4.04Å; L670-L674 HydrophobicContact CG-CD1 3.9Å; L670-L674 WeakPolarHBondContact O-CG 3.4Å; L670-L674 PolarHBondContact O-N 2.76Å; F671-L674 PolarHBondContact O-N 3.26Å; R672-L674 VanDerWaalsContact C-N 3.35Å; R672-L674 PolarHBondContact O-N 2.88Å; L674-A677 PolarHBondContact O-N 3.11Å; L674-R678 VanDerWaalsContact O-CG 3.31Å; L674-R678 WeakPolarHBondContact O-CG 2.81Å; L674-R678 PolarHBondContact O-N 3.17Å; L674-E997 HydrophobicContact CD1-CB 4.18Å; L674-F998 WeakPolarHBondContact CD1-O 3.47Å; L674-F998 WeakPolarHBondContact CD2-O 3.29Å; L674-D1000 WeakPolarHBondContact CD2-OD1 3.44Å; L674-I1001 HydrophobicContact CD2-CD1 3.75Å; L674-I1001 HydrophobicContact CD2-CG1 3.65Å; L674-I1001 HydrophobicContact CG-CD1 4.47Å |
| 675 | L | 79 | Confident | 81.5 | Confident | 17 Ų | 17 | 39.2 Ų | 39.2 | 9% | 0.089 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.6 | -45.2 | -179.8 | -174.9 | 66.3 | 0 | 0 | 0 | 111.6 | F671 R672 R678 V679 P694 Y698 F842 M846 | F671-L675 HydrophobicContact CE1-CD2 4.11Å; F671-L675 HydrophobicContact CZ-CB 4.4Å; F671-L675 HydrophobicContact CZ-CD2 4.15Å; F671-L675 VanDerWaalsContact O-CB 3.27Å; F671-L675 WeakPolarHBondContact O-CB 3.45Å; F671-L675 PolarHBondContact O-N 2.8Å; R672-L675 PolarHBondContact O-N 3.29Å; L675-R678 PolarHBondContact O-N 3.43Å; L675-V679 WeakPolarHBondContact O-CG2 3.46Å; L675-V679 PolarHBondContact O-N 3.11Å; L675-V679 VanDerWaalsContact O-N 3.13Å; L675-P694 HydrophobicContact CD2-CB 3.75Å; L675-P694 HydrophobicContact CD2-CG 4.18Å; L675-Y698 HydrophobicContact CD2-CE2 4.35Å; L675-F842 HydrophobicContact CD2-CZ 3.78Å; L675-F842 HydrophobicContact CG-CZ 4.05Å; L675-M846 HydrophobicContact CD2-SD 4.46Å |
| 676 | L | 81.6 | Confident | 81.4 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.2 | -42.5 | 178.3 | -69.3 | 178.9 | 0 | 0 | 0 | 111.5 | R672 R678 V679 G680 L681 E683 A685 L686 F842 | R672-L676 HydrophobicContact CG-CD1 3.63Å; R672-L676 HydrophobicContact CG-CG 4.11Å; R672-L676 WeakPolarHBondContact O-CB 3.49Å; R672-L676 VanDerWaalsContact O-CG 3.23Å; R672-L676 WeakPolarHBondContact O-CG 3.36Å; R672-L676 PolarHBondContact O-N 3.33Å; L676-R678 VanDerWaalsContact C-N 3.32Å; L676-R678 PolarHBondContact O-N 2.82Å; L676-V679 HydrophobicContact CD2-CG2 4.48Å; L676-V679 WeakPolarHBondContact O-CG2 3.28Å; L676-V679 PolarHBondContact O-N 3.04Å; L676-G680 PolarHBondContact O-N 3.22Å; L676-G680 VanDerWaalsContact O-N 3.16Å; L676-L681 CarbonylContact C-O 2.83Å; L676-L681 VanDerWaalsContact C-O 3.27Å; L676-L681 HydrophobicContact CB-CB 4.24Å; L676-L681 HydrophobicContact CD2-CB 3.97Å; L676-L681 HydrophobicContact CD2-CD1 3.97Å; L676-L681 PolarHBondContact O-N 3.42Å; L676-L681 VanDerWaalsContact O-O 3.05Å; L676-E683 WeakPolarHBondContact CD1-O 3.45Å; L676-A685 HydrophobicContact CD1-CB 4.38Å; L676-A685 HydrophobicContact CD2-CB 4.48Å; L676-L686 HydrophobicContact CD1-CD1 4.23Å; L676-L686 HydrophobicContact CD1-CG 4.22Å; L676-L686 HydrophobicContact CD2-CD1 4.1Å; L676-L686 HydrophobicContact CD2-CG 4.04Å; L676-L686 HydrophobicContact CG-CD1 4.5Å; L676-F842 HydrophobicContact CD2-CD1 4.25Å; L676-F842 HydrophobicContact CD2-CE1 3.74Å; L676-F842 HydrophobicContact CD2-CZ 4.44Å |
| 677 | A | 72.7 | Confident | 81.2 | Confident | 46 Ų | 46 | 34.5 Ų | 34.5 | 38% | 0.38 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -58.7 | -42.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | K673 L674 V679 G680 I1001 | K673-A677 WeakPolarHBondContact O-CB 3.06Å; K673-A677 PolarHBondContact O-N 2.97Å; L674-A677 PolarHBondContact O-N 3.11Å; A677-V679 VanDerWaalsContact C-N 3.33Å; A677-V679 PolarHBondContact O-N 3.05Å; A677-G680 PolarHBondContact O-N 3.46Å; A677-G680 VanDerWaalsContact O-N 3.15Å; A677-I1001 HydrophobicContact CB-CD1 3.99Å; A677-I1001 HydrophobicContact CB-CG1 4.18Å |
| 678 | R | 69.8 | Low | 81 | Confident | 74 Ų | 74 | 41.2 Ų | 41.2 | 28% | 0.279 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -65.8 | -30.2 | 178.8 | -72.5 | 172.7 | -170.6 | 151.8 | 5.6 | 114 | L674 L675 L676 E997 | L674-R678 VanDerWaalsContact O-CG 3.31Å; L674-R678 WeakPolarHBondContact O-CG 2.81Å; L674-R678 PolarHBondContact O-N 3.17Å; L675-R678 PolarHBondContact O-N 3.43Å; L676-R678 VanDerWaalsContact C-N 3.32Å; L676-R678 PolarHBondContact O-N 2.82Å; R678-E997 IonicContact CZ-OE1 2.76Å; R678-E997 IonicContact CZ-OE2 3.44Å; R678-E997 VanDerWaalsContact NH1-CD 3.34Å; R678-E997 IonicContact NH1-OE1 2.74Å; R678-E997 PolarHBondContact NH1-OE1 2.85Å; R678-E997 IonicContact NH1-OE2 3.89Å; R678-E997 PolarHBondContact NH1-OE2 3.09Å; R678-E997 IonicContact NH2-OE1 3.91Å; R678-E997 IonicContact NH2-OE2 3.61Å; R678-E997 PolarHBondContact NH2-OE2 3.11Å |
| 679 | V | 70.8 | Confident | 80.7 | Confident | 36 Ų | 36 | 44.8 Ų | 44.8 | 22% | 0.218 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 6.4 | 175.4 | -58.9 | 0 | 0 | 0 | 0 | 113.4 | L675 L676 A677 L681 F842 | L675-V679 WeakPolarHBondContact O-CG2 3.46Å; L675-V679 PolarHBondContact O-N 3.11Å; L675-V679 VanDerWaalsContact O-N 3.13Å; L676-V679 HydrophobicContact CD2-CG2 4.48Å; L676-V679 WeakPolarHBondContact O-CG2 3.28Å; L676-V679 PolarHBondContact O-N 3.04Å; A677-V679 VanDerWaalsContact C-N 3.33Å; A677-V679 PolarHBondContact O-N 3.05Å; V679-L681 HydrophobicContact CG2-CB 4.08Å; V679-L681 HydrophobicContact CG2-CD1 3.83Å; V679-L681 HydrophobicContact CG2-CG 3.89Å; V679-F842 HydrophobicContact CG1-CD2 4.37Å; V679-F842 HydrophobicContact CG1-CE2 3.93Å; V679-F842 HydrophobicContact CG2-CD2 4.29Å; V679-F842 HydrophobicContact CG2-CE2 4.11Å; V679-F842 HydrophobicContact CG2-CZ 4.34Å |
| 680 | G | 72.5 | Confident | 80.8 | Confident | 54 Ų | 54 | 44 Ų | 44 | 56% | 0.557 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 73.8 | 22.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | L676 A677 | L676-G680 PolarHBondContact O-N 3.22Å; L676-G680 VanDerWaalsContact O-N 3.16Å; A677-G680 PolarHBondContact O-N 3.46Å; A677-G680 VanDerWaalsContact O-N 3.15Å |
| 681 | L | 80 | Confident | 80.9 | Confident | 18 Ų | 18 | 46.8 Ų | 46.8 | 9% | 0.094 | 26% | 0.256 | C | S | . | . | trans | -102.5 | 144.4 | 177.3 | -70.1 | 179 | 0 | 0 | 0 | 111.2 | L676 V679 A685 M837 V839 F842 | L676-L681 CarbonylContact C-O 2.83Å; L676-L681 VanDerWaalsContact C-O 3.27Å; L676-L681 HydrophobicContact CB-CB 4.24Å; L676-L681 HydrophobicContact CD2-CB 3.97Å; L676-L681 HydrophobicContact CD2-CD1 3.97Å; L676-L681 PolarHBondContact O-N 3.42Å; L676-L681 VanDerWaalsContact O-O 3.05Å; V679-L681 HydrophobicContact CG2-CB 4.08Å; V679-L681 HydrophobicContact CG2-CD1 3.83Å; V679-L681 HydrophobicContact CG2-CG 3.89Å; L681-A685 HydrophobicContact CB-CB 3.88Å; L681-A685 HydrophobicContact CD1-CB 4.45Å; L681-M837 WeakPolarHBondContact CD2-O 3.43Å; L681-V839 HydrophobicContact CD1-CG2 4.18Å; L681-V839 HydrophobicContact CD2-CG2 3.65Å; L681-F842 HydrophobicContact CD1-CB 4.08Å; L681-F842 HydrophobicContact CD1-CD1 3.98Å; L681-F842 HydrophobicContact CD1-CG 4.06Å | ||
| 682 | P | 78.3 | Confident | 81.1 | Confident | 81 Ų | 81 | 48.9 Ų | 48.9 | 53% | 0.526 | 27% | 0.267 | S | S | . | . | trans | -64.5 | 153.1 | 175.4 | 25.1 | -32 | 0 | 0 | 0 | 111.6 | N684 A685 | P682-N684 PolarHBondContact O-N 3.44Å; P682-A685 HydrophobicContact CG-CB 3.96Å; P682-A685 WeakPolarHBondContact O-CB 3.49Å; P682-A685 PolarHBondContact O-N 2.67Å | ||
| 683 | E | 76.2 | Confident | 81.2 | Confident | 99 Ų | 99 | 46.7 Ų | 46.7 | 46% | 0.463 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -28.9 | -177.4 | -175.7 | 172.9 | -176.7 | 0 | 0 | 113.8 | K673 L676 | K673-E683 HydrophobicContact CB-CG 4.09Å; K673-E683 HydrophobicContact CG-CG 3.89Å; L676-E683 WeakPolarHBondContact CD1-O 3.45Å |
| 684 | N | 82.6 | Confident | 81.3 | Confident | 136 Ų | 136 | 44.4 Ų | 44.4 | 73% | 0.727 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.7 | 17.7 | 179.7 | -57.8 | -25.7 | 0 | 0 | 0 | 113.2 | P682 L686 | P682-N684 PolarHBondContact O-N 3.44Å; N684-L686 VanDerWaalsContact C-N 3.34Å; N684-L686 PolarHBondContact O-N 2.81Å |
| 685 | A | 83.8 | Confident | 81.7 | Confident | 3 Ų | 3 | 44.4 Ų | 44.4 | 3% | 0.025 | 25% | 0.249 | C | C | . | . | trans | -65 | -35.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | L676 L681 P682 V839 | L676-A685 HydrophobicContact CD1-CB 4.38Å; L676-A685 HydrophobicContact CD2-CB 4.48Å; L681-A685 HydrophobicContact CB-CB 3.88Å; L681-A685 HydrophobicContact CD1-CB 4.45Å; P682-A685 HydrophobicContact CG-CB 3.96Å; P682-A685 WeakPolarHBondContact O-CB 3.49Å; P682-A685 PolarHBondContact O-N 2.67Å; A685-V839 HydrophobicContact CB-CG2 3.92Å; A685-V839 WeakPolarHBondContact O-CG1 3.2Å | ||
| 686 | L | 86 | Confident | 82.1 | Confident | 16 Ų | 16 | 43.6 Ų | 43.6 | 8% | 0.084 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -80.3 | 131.9 | -176 | -68.4 | 173.4 | 0 | 0 | 0 | 111.3 | R672 L676 N684 P694 V839 F842 I843 M846 | R672-L686 HydrophobicContact CG-CD1 4.15Å; L676-L686 HydrophobicContact CD1-CD1 4.23Å; L676-L686 HydrophobicContact CD1-CG 4.22Å; L676-L686 HydrophobicContact CD2-CD1 4.1Å; L676-L686 HydrophobicContact CD2-CG 4.04Å; L676-L686 HydrophobicContact CG-CD1 4.5Å; N684-L686 VanDerWaalsContact C-N 3.34Å; N684-L686 PolarHBondContact O-N 2.81Å; L686-P694 HydrophobicContact CD1-CG 3.68Å; L686-V839 HydrophobicContact CD2-CG1 4.45Å; L686-F842 HydrophobicContact CD2-CD1 4.11Å; L686-F842 HydrophobicContact CD2-CE1 4.3Å; L686-I843 HydrophobicContact CD2-CD1 3.88Å; L686-I843 HydrophobicContact CD2-CG1 3.54Å; L686-M846 HydrophobicContact CD2-CE 4.45Å |
| 687 | P | 85.3 | Confident | 81.9 | Confident | 14 Ų | 14 | 45.3 Ų | 45.3 | 9% | 0.091 | 25% | 0.253 | C | S | . | . | trans | -56.8 | 155 | 169.5 | -22.8 | 33.1 | 0 | 0 | 0 | 112 | E689 F690 Q691 I843 | P687-E689 HydrophobicContact CB-CG 4.11Å; P687-E689 PolarHBondContact O-N 2.84Å; P687-E689 VanDerWaalsContact O-N 3.12Å; P687-F690 HydrophobicContact CB-CD2 4.26Å; P687-F690 HydrophobicContact CG-CD2 4.21Å; P687-F690 CarbonylContact O-C 3.48Å; P687-F690 PolarHBondContact O-N 3.44Å; P687-Q691 PolarHBondContact O-N 3.02Å; P687-Q691 VanDerWaalsContact O-N 3.08Å; P687-I843 HydrophobicContact CG-CD1 4.34Å | ||
| 688 | L | 84.9 | Confident | 82.2 | Confident | 141 Ų | 141 | 46.3 Ų | 46.3 | 74% | 0.738 | 25% | 0.247 | S | C | * | . | G | 310 helix | trans | -55.3 | -35.2 | -176.7 | -145 | 84 | 0 | 0 | 0 | 112.5 | F690 Q691 | L688-F690 VanDerWaalsContact C-N 3.27Å; L688-F690 PolarHBondContact O-N 3.28Å; L688-Q691 WeakPolarHBondContact O-CG 3.38Å |
| 689 | E | 86 | Confident | 82.8 | Confident | 78 Ų | 78 | 42.8 Ų | 42.8 | 36% | 0.364 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -65.8 | -23.3 | 175.7 | 59.5 | -114.2 | -159.4 | 0 | 0 | 114.6 | P687 F773 | P687-E689 HydrophobicContact CB-CG 4.11Å; P687-E689 PolarHBondContact O-N 2.84Å; P687-E689 VanDerWaalsContact O-N 3.12Å; E689-F773 HydrophobicContact CB-CE1 4.42Å; E689-F773 HydrophobicContact CG-CE1 4.14Å |
| 690 | F | 89 | Confident | 83.5 | Confident | 1 Ų | 1 | 41.7 Ų | 41.7 | 0% | 0.004 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -113 | 6.2 | -178.3 | -61.9 | -67.8 | 0 | 0 | 0 | 113.3 | P687 L688 D692 L693 Y769 F773 I775 I843 I847 | P687-F690 HydrophobicContact CB-CD2 4.26Å; P687-F690 HydrophobicContact CG-CD2 4.21Å; P687-F690 CarbonylContact O-C 3.48Å; P687-F690 PolarHBondContact O-N 3.44Å; L688-F690 VanDerWaalsContact C-N 3.27Å; L688-F690 PolarHBondContact O-N 3.28Å; F690-D692 PolarHBondContact O-N 3.35Å; F690-L693 HydrophobicContact CB-CB 4.29Å; F690-L693 HydrophobicContact CB-CD2 4.36Å; F690-L693 HydrophobicContact CD1-CD2 3.85Å; F690-L693 HydrophobicContact CG-CD2 4.45Å; F690-L693 WeakPolarHBondContact O-CB 3.44Å; F690-L693 PolarHBondContact O-N 3.14Å; F690-Y769 HydrophobicContact CD1-CD1 4.05Å; F690-Y769 HydrophobicContact CD1-CE1 4.06Å; F690-Y769 HydrophobicContact CE1-CD1 4.06Å; F690-Y769 HydrophobicContact CE1-CE1 4.48Å; F690-F773 HydrophobicContact CE1-CD1 4.21Å; F690-F773 HydrophobicContact CE1-CG 4.32Å; F690-F773 HydrophobicContact CE2-CD1 4.09Å; F690-F773 HydrophobicContact CE2-CE1 4.37Å; F690-F773 HydrophobicContact CZ-CB 4.17Å; F690-F773 AromaticContact CZ-CD1 3.4Å; F690-F773 HydrophobicContact CZ-CD1 3.4Å; F690-F773 VanDerWaalsContact CZ-CD1 3.4Å; F690-F773 AromaticContact CZ-CE1 3.91Å; F690-F773 HydrophobicContact CZ-CE1 3.91Å; F690-F773 AromaticContact CZ-CG 3.85Å; F690-F773 HydrophobicContact CZ-CG 3.85Å; F690-I775 HydrophobicContact CE2-CG1 4.29Å; F690-I843 HydrophobicContact CB-CD1 4.43Å; F690-I843 HydrophobicContact CD1-CG2 4.04Å; F690-I843 HydrophobicContact CD2-CD1 3.92Å; F690-I843 HydrophobicContact CD2-CG2 4.19Å; F690-I843 HydrophobicContact CE1-CG2 4.03Å; F690-I843 HydrophobicContact CE2-CG2 4.19Å; F690-I843 HydrophobicContact CG-CD1 4.29Å; F690-I843 HydrophobicContact CG-CG2 4.11Å; F690-I843 HydrophobicContact CZ-CG2 4.08Å; F690-I847 HydrophobicContact CD1-CD1 4.33Å; F690-I847 HydrophobicContact CE1-CD1 3.63Å; F690-I847 HydrophobicContact CZ-CD1 4.25Å |
| 691 | Q | 88.8 | Confident | 83.8 | Confident | 68 Ų | 68 | 39.5 Ų | 39.5 | 32% | 0.318 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -32.1 | -178.6 | 75.4 | -176.7 | 6.4 | 0 | 0 | 112.5 | R672 P687 L688 | R672-Q691 WeakPolarHBondContact CD-O 3.4Å; R672-Q691 PolarHBondContact NH1-O 3.14Å; P687-Q691 PolarHBondContact O-N 3.02Å; P687-Q691 VanDerWaalsContact O-N 3.08Å; L688-Q691 WeakPolarHBondContact O-CG 3.38Å |
| 692 | D | 90.1 | Very high | 83.8 | Confident | 50 Ų | 50 | 39 Ų | 39 | 27% | 0.267 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -10.1 | 180 | -69.5 | -18.2 | 0 | 0 | 0 | 112.5 | Y668 F690 G695 D696 | Y668-D692 HydrophobicContact CD2-CB 4.03Å; Y668-D692 HydrophobicContact CE2-CB 4.21Å; F690-D692 PolarHBondContact O-N 3.35Å; D692-G695 PolarHBondContact O-N 3.1Å; D692-D696 WeakPolarHBondContact O-CB 3.3Å; D692-D696 PolarHBondContact O-N 3.43Å |
| 693 | L | 88.5 | Confident | 84.2 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -55 | -43.8 | -174.1 | 176.6 | 62.8 | 0 | 0 | 0 | 112.9 | F690 K697 Y769 I843 M846 I847 F850 | F690-L693 HydrophobicContact CB-CB 4.29Å; F690-L693 HydrophobicContact CB-CD2 4.36Å; F690-L693 HydrophobicContact CD1-CD2 3.85Å; F690-L693 HydrophobicContact CG-CD2 4.45Å; F690-L693 WeakPolarHBondContact O-CB 3.44Å; F690-L693 PolarHBondContact O-N 3.14Å; L693-K697 VanDerWaalsContact O-CB 3.31Å; L693-K697 WeakPolarHBondContact O-CB 3.34Å; L693-K697 PolarHBondContact O-N 3.22Å; L693-Y769 HydrophobicContact CB-CE1 4.24Å; L693-Y769 HydrophobicContact CD1-CD1 4.14Å; L693-Y769 HydrophobicContact CD1-CD2 3.64Å; L693-Y769 HydrophobicContact CD1-CE1 4.13Å; L693-Y769 HydrophobicContact CD1-CE2 3.62Å; L693-Y769 HydrophobicContact CD1-CG 3.9Å; L693-Y769 PolarHBondContact N-OH 3.28Å; L693-I843 HydrophobicContact CD2-CG2 4.19Å; L693-M846 HydrophobicContact CB-CE 4.45Å; L693-M846 HydrophobicContact CD2-CB 3.96Å; L693-M846 HydrophobicContact CD2-CE 3.64Å; L693-M846 HydrophobicContact CG-CB 4.18Å; L693-M846 HydrophobicContact CG-CE 3.85Å; L693-M846 HydrophobicContact CG-SD 4.34Å; L693-I847 HydrophobicContact CD1-CG1 4.31Å; L693-I847 HydrophobicContact CD2-CD1 4.4Å; L693-I847 HydrophobicContact CD2-CG1 3.91Å; L693-F850 HydrophobicContact CD1-CE2 3.82Å |
| 694 | P | 85 | Confident | 84.5 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.9 | -49.8 | 172.4 | -26.8 | 36.8 | 0 | 0 | 0 | 113.5 | F671 R672 L675 L686 K697 Y698 M846 | F671-P694 HydrophobicContact CD1-CB 3.99Å; F671-P694 HydrophobicContact CE1-CB 3.86Å; F671-P694 WeakPolarHBondContact CE1-O 3.46Å; R672-P694 HydrophobicContact CG-CG 4.46Å; L675-P694 HydrophobicContact CD2-CB 3.75Å; L675-P694 HydrophobicContact CD2-CG 4.18Å; L686-P694 HydrophobicContact CD1-CG 3.68Å; P694-K697 PolarHBondContact O-N 3.34Å; P694-Y698 WeakPolarHBondContact O-CD2 3.42Å; P694-Y698 PolarHBondContact O-N 3.46Å; P694-Y698 VanDerWaalsContact O-N 3.12Å; P694-M846 HydrophobicContact CG-CE 4.14Å; P694-M846 HydrophobicContact CG-SD 4.16Å |
| 695 | G | 84.9 | Confident | 84.3 | Confident | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.01 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -67.4 | -38.7 | -177 | 0 | 0 | 0 | 0 | 0 | 112 | Y668 D692 L699 L700 | Y668-G695 VanDerWaalsContact CZ-O 3.31Å; Y668-G695 PolarHBondContact OH-O 3.08Å; D692-G695 PolarHBondContact O-N 3.1Å; G695-L699 WeakPolarHBondContact O-CA 3.29Å; G695-L699 VanDerWaalsContact O-CB 3.3Å; G695-L699 WeakPolarHBondContact O-CB 3.36Å; G695-L699 PolarHBondContact O-N 3.35Å; G695-L700 PolarHBondContact O-N 3.1Å |
| 696 | D | 87.4 | Confident | 83.9 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58.4 | -58.8 | 172.3 | -81.1 | -17.7 | 0 | 0 | 0 | 109 | K664 Y668 D692 Y698 L700 Y761 M765 K768 Y769 | K664-D696 IonicContact NZ-OD1 3.59Å; Y668-D696 WeakPolarHBondContact CE2-OD1 3.19Å; Y668-D696 PolarHBondContact OH-OD1 3.32Å; D692-D696 WeakPolarHBondContact O-CB 3.3Å; D692-D696 PolarHBondContact O-N 3.43Å; D696-Y698 VanDerWaalsContact C-N 3.33Å; D696-Y698 PolarHBondContact O-N 3.37Å; D696-L700 HydrophobicContact CB-CD2 4.47Å; D696-L700 WeakPolarHBondContact O-CB 3.37Å; D696-L700 PolarHBondContact O-N 3.34Å; D696-L700 WeakPolarHBondContact OD1-CD2 3.37Å; D696-Y761 PolarHBondContact O-OH 3.15Å; D696-M765 HydrophobicContact CB-SD 3.87Å; D696-K768 IonicContact OD1-NZ 3.03Å; D696-K768 WeakPolarHBondContact OD2-CD 3.5Å; D696-K768 WeakPolarHBondContact OD2-CE 3.3Å; D696-K768 IonicContact OD2-NZ 3.31Å; D696-K768 PolarHBondContact OD2-NZ 3.15Å; D696-Y769 HydrophobicContact CB-CE2 4.17Å; D696-Y769 WeakPolarHBondContact OD2-CE2 3.35Å; D696-Y769 PolarHBondContact OD2-OH 3.5Å |
| 697 | K | 77.7 | Confident | 83.7 | Confident | 36 Ų | 36 | 34 Ų | 34 | 16% | 0.157 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -51.9 | -48.4 | -175 | -176 | 164 | 172 | 171.9 | 0 | 113.5 | L693 P694 Y761 M846 S849 F850 | L693-K697 VanDerWaalsContact O-CB 3.31Å; L693-K697 WeakPolarHBondContact O-CB 3.34Å; L693-K697 PolarHBondContact O-N 3.22Å; P694-K697 PolarHBondContact O-N 3.34Å; K697-Y761 WeakPolarHBondContact CA-OH 3.28Å; K697-Y761 PolarHBondContact N-OH 3Å; K697-M846 HydrophobicContact CD-CB 4.4Å; K697-M846 HydrophobicContact CD-CG 4.43Å; K697-S849 VanDerWaalsContact CE-OG 3.25Å; K697-S849 WeakPolarHBondContact CE-OG 3.04Å; K697-S849 PolarHBondContact NZ-OG 3.43Å; K697-F850 HydrophobicContact CB-CE1 4.26Å; K697-F850 HydrophobicContact CB-CZ 3.59Å; K697-F850 HydrophobicContact CD-CZ 3.99Å; K697-F850 HydrophobicContact CG-CE1 4Å; K697-F850 HydrophobicContact CG-CZ 3.64Å |
| 698 | Y | 78 | Confident | 83.3 | Confident | 66 Ų | 66 | 37.8 Ų | 37.8 | 26% | 0.259 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -105.4 | -37.4 | -166.6 | -63 | -82.1 | 0 | 0 | 0 | 113.4 | F671 L675 P694 D696 F702 W995 | F671-Y698 AromaticContact CE1-CD2 3.71Å; F671-Y698 HydrophobicContact CE1-CD2 3.71Å; F671-Y698 HydrophobicContact CE1-CG 4.16Å; F671-Y698 AromaticContact CZ-CD2 3.84Å; F671-Y698 HydrophobicContact CZ-CD2 3.84Å; F671-Y698 HydrophobicContact CZ-CG 4.07Å; L675-Y698 HydrophobicContact CD2-CE2 4.35Å; P694-Y698 WeakPolarHBondContact O-CD2 3.42Å; P694-Y698 PolarHBondContact O-N 3.46Å; P694-Y698 VanDerWaalsContact O-N 3.12Å; D696-Y698 VanDerWaalsContact C-N 3.33Å; D696-Y698 PolarHBondContact O-N 3.37Å; Y698-F702 WeakPolarHBondContact O-CD2 3.4Å; Y698-F702 WeakPolarHBondContact O-CE2 3.35Å; Y698-W995 VanDerWaalsContact CB-CZ3 3.5Å; Y698-W995 HydrophobicContact CD1-CH2 4.48Å; Y698-W995 HydrophobicContact CG-CH2 4.12Å; Y698-W995 WeakPolarHBondContact O-CZ3 3.27Å |
| 699 | L | 83.1 | Confident | 82.7 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -97.1 | -35.6 | -171.7 | -58.5 | 172.8 | 0 | 0 | 0 | 113 | M667 Y668 F671 G695 P701 F702 L703 F743 V745 W995 | M667-L699 HydrophobicContact CE-CB 4.04Å; M667-L699 HydrophobicContact CE-CD1 3.91Å; M667-L699 HydrophobicContact CE-CG 4.43Å; M667-L699 HydrophobicContact CG-CD1 4.19Å; Y668-L699 HydrophobicContact CD1-CD1 4.08Å; Y668-L699 HydrophobicContact CE1-CB 3.97Å; Y668-L699 HydrophobicContact CE1-CD1 4.31Å; F671-L699 HydrophobicContact CB-CD1 3.6Å; F671-L699 HydrophobicContact CD1-CD1 3.88Å; F671-L699 HydrophobicContact CD1-CG 4.22Å; F671-L699 HydrophobicContact CG-CD1 3.72Å; F671-L699 HydrophobicContact CG-CG 4.3Å; G695-L699 WeakPolarHBondContact O-CA 3.29Å; G695-L699 VanDerWaalsContact O-CB 3.3Å; G695-L699 WeakPolarHBondContact O-CB 3.36Å; G695-L699 PolarHBondContact O-N 3.35Å; L699-P701 VanDerWaalsContact C-CD 3.42Å; L699-P701 VanDerWaalsContact C-N 3.35Å; L699-F702 PolarHBondContact O-N 3.32Å; L699-F702 VanDerWaalsContact O-N 3.1Å; L699-L703 WeakPolarHBondContact O-CG 3.34Å; L699-L703 PolarHBondContact O-N 3.06Å; L699-F743 HydrophobicContact CD1-CE2 4.3Å; L699-F743 HydrophobicContact CD1-CZ 4.09Å; L699-F743 HydrophobicContact CD2-CD2 4.37Å; L699-F743 HydrophobicContact CD2-CE2 3.52Å; L699-F743 HydrophobicContact CD2-CZ 4Å; L699-V745 HydrophobicContact CD2-CG2 4.47Å; L699-W995 HydrophobicContact CD2-CD2 4.48Å; L699-W995 HydrophobicContact CD2-CE3 3.71Å; L699-W995 HydrophobicContact CD2-CH2 3.77Å; L699-W995 HydrophobicContact CD2-CZ3 3.28Å; L699-W995 HydrophobicContact CG-CH2 4.37Å; L699-W995 HydrophobicContact CG-CZ3 4.08Å |
| 700 | L | 85.3 | Confident | 82.5 | Confident | 14 Ų | 14 | 27.7 Ų | 27.7 | 7% | 0.073 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -55.3 | -38.8 | -174.6 | -170 | 53.6 | 0 | 0 | 0 | 114.6 | Y668 G695 D696 F702 L703 Q704 Y761 M765 | Y668-L700 VanDerWaalsContact OH-CB 3.28Å; Y668-L700 WeakPolarHBondContact OH-CB 3.33Å; G695-L700 PolarHBondContact O-N 3.1Å; D696-L700 HydrophobicContact CB-CD2 4.47Å; D696-L700 WeakPolarHBondContact O-CB 3.37Å; D696-L700 PolarHBondContact O-N 3.34Å; D696-L700 WeakPolarHBondContact OD1-CD2 3.37Å; L700-F702 VanDerWaalsContact C-N 3.3Å; L700-F702 PolarHBondContact O-N 3.43Å; L700-L703 PolarHBondContact O-N 3.3Å; L700-Q704 HydrophobicContact CD1-CG 3.83Å; L700-Q704 HydrophobicContact CG-CG 4.19Å; L700-Q704 WeakPolarHBondContact O-CG 3.49Å; L700-Q704 PolarHBondContact O-N 3.08Å; L700-Y761 HydrophobicContact CB-CE2 3.79Å; L700-Y761 HydrophobicContact CD2-CE2 3.85Å; L700-Y761 HydrophobicContact CG-CD2 4.45Å; L700-Y761 HydrophobicContact CG-CE2 3.9Å; L700-M765 HydrophobicContact CD2-CE 3.68Å |
| 701 | P | 78 | Confident | 82.1 | Confident | 7 Ų | 7 | 27.9 Ų | 27.9 | 5% | 0.045 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -59 | -39.6 | 177.4 | -25.9 | 36 | 0 | 0 | 0 | 113.1 | L699 H705 W753 R757 Y761 | L699-P701 VanDerWaalsContact C-CD 3.42Å; L699-P701 VanDerWaalsContact C-N 3.35Å; P701-H705 VanDerWaalsContact O-CB 3.26Å; P701-H705 WeakPolarHBondContact O-CB 3.22Å; P701-H705 PolarHBondContact O-N 3.39Å; P701-H705 VanDerWaalsContact O-N 3.08Å; P701-W753 HydrophobicContact CB-CZ2 3.77Å; P701-W753 PolarHBondContact O-NE1 3.35Å; P701-R757 HydrophobicContact CB-CG 4.14Å; P701-R757 HydrophobicContact CG-CG 4.01Å; P701-Y761 HydrophobicContact CG-CD1 4.19Å; P701-Y761 HydrophobicContact CG-CD2 4.04Å; P701-Y761 HydrophobicContact CG-CE1 4.01Å; P701-Y761 HydrophobicContact CG-CE2 3.83Å; P701-Y761 HydrophobicContact CG-CG 4.23Å |
| 702 | F | 80.9 | Confident | 81.9 | Confident | 9 Ų | 9 | 24.7 Ų | 24.7 | 4% | 0.039 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -67.8 | -44.2 | 175.6 | -62.2 | -84.6 | 0 | 0 | 0 | 111.7 | Y698 L699 L700 Q704 H705 S706 V745 A747 W753 I993 W995 | Y698-F702 WeakPolarHBondContact O-CD2 3.4Å; Y698-F702 WeakPolarHBondContact O-CE2 3.35Å; L699-F702 PolarHBondContact O-N 3.32Å; L699-F702 VanDerWaalsContact O-N 3.1Å; L700-F702 VanDerWaalsContact C-N 3.3Å; L700-F702 PolarHBondContact O-N 3.43Å; F702-Q704 PolarHBondContact O-N 3.02Å; F702-H705 PolarHBondContact O-N 3.15Å; F702-S706 CarbonylContact O-C 3.6Å; F702-S706 PolarHBondContact O-N 2.85Å; F702-V745 HydrophobicContact CB-CB 3.8Å; F702-V745 HydrophobicContact CB-CG1 4.34Å; F702-V745 HydrophobicContact CB-CG2 4.1Å; F702-V745 HydrophobicContact CD1-CB 4.2Å; F702-V745 HydrophobicContact CD1-CG2 3.99Å; F702-V745 HydrophobicContact CD2-CB 4.41Å; F702-V745 HydrophobicContact CD2-CG2 3.76Å; F702-V745 HydrophobicContact CE1-CG2 4.34Å; F702-V745 HydrophobicContact CE2-CG2 4.11Å; F702-V745 HydrophobicContact CG-CB 3.9Å; F702-V745 HydrophobicContact CG-CG2 3.68Å; F702-V745 HydrophobicContact CZ-CG2 4.39Å; F702-A747 HydrophobicContact CD1-CB 4.1Å; F702-A747 HydrophobicContact CE1-CB 4.18Å; F702-W753 HydrophobicContact CD1-CZ2 4.23Å; F702-W753 AromaticContact CD1-NE1 3.74Å; F702-W753 AromaticContact CD2-CZ2 3.95Å; F702-W753 HydrophobicContact CD2-CZ2 3.95Å; F702-W753 AromaticContact CE1-CE2 3.94Å; F702-W753 HydrophobicContact CE1-CH2 4.49Å; F702-W753 AromaticContact CE1-CZ2 3.79Å; F702-W753 HydrophobicContact CE1-CZ2 3.79Å; F702-W753 HydrophobicContact CE2-CH2 4.19Å; F702-W753 AromaticContact CE2-CZ2 3.49Å; F702-W753 HydrophobicContact CE2-CZ2 3.49Å; F702-W753 VanDerWaalsContact CE2-CZ2 3.49Å; F702-W753 HydrophobicContact CG-CZ2 4.31Å; F702-W753 AromaticContact CG-NE1 3.91Å; F702-W753 AromaticContact CZ-CH2 3.9Å; F702-W753 HydrophobicContact CZ-CH2 3.9Å; F702-W753 AromaticContact CZ-CZ2 3.39Å; F702-W753 HydrophobicContact CZ-CZ2 3.39Å; F702-I993 HydrophobicContact CE1-CB 4.04Å; F702-I993 HydrophobicContact CE1-CG2 3.64Å; F702-I993 HydrophobicContact CZ-CB 4.47Å; F702-I993 HydrophobicContact CZ-CG2 3.63Å; F702-W995 AromaticContact CE2-CE3 3.95Å; F702-W995 HydrophobicContact CE2-CE3 3.95Å; F702-W995 HydrophobicContact CE2-CZ3 4.42Å |
| 703 | L | 86.5 | Confident | 81.6 | Confident | 15 Ų | 15 | 22.3 Ų | 22.3 | 8% | 0.079 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -66.7 | -22.9 | -179.1 | -60.8 | -180 | 0 | 0 | 0 | 113.7 | Y659 K664 M667 Y668 L699 L700 P707 C710 | Y659-L703 HydrophobicContact CD1-CD2 3.86Å; Y659-L703 HydrophobicContact CD2-CD2 3.89Å; Y659-L703 HydrophobicContact CE1-CB 4.47Å; Y659-L703 HydrophobicContact CE1-CD2 3.66Å; Y659-L703 HydrophobicContact CE1-CG 4.45Å; Y659-L703 HydrophobicContact CE2-CD1 4.18Å; Y659-L703 HydrophobicContact CE2-CD2 3.68Å; Y659-L703 HydrophobicContact CG-CD2 3.98Å; K664-L703 HydrophobicContact CG-CD1 4.28Å; M667-L703 HydrophobicContact CE-CD1 3.29Å; M667-L703 HydrophobicContact CE-CD2 3.51Å; M667-L703 HydrophobicContact CE-CG 3.72Å; M667-L703 HydrophobicContact SD-CD2 4.45Å; Y668-L703 HydrophobicContact CE1-CD1 3.89Å; L699-L703 WeakPolarHBondContact O-CG 3.34Å; L699-L703 PolarHBondContact O-N 3.06Å; L700-L703 PolarHBondContact O-N 3.3Å; L703-P707 WeakPolarHBondContact O-CB 3.45Å; L703-C710 HydrophobicContact CD2-CB 4.41Å |
| 704 | Q | 83.5 | Confident | 81.3 | Confident | 119 Ų | 119 | 23.5 Ų | 23.5 | 56% | 0.556 | 11% | 0.113 | S | C | * | . | H | α-helix | trans | -90.6 | -37.9 | 177.2 | -74.1 | -177.8 | -36.6 | 0 | 0 | 112.7 | L700 F702 | L700-Q704 HydrophobicContact CD1-CG 3.83Å; L700-Q704 HydrophobicContact CG-CG 4.19Å; L700-Q704 WeakPolarHBondContact O-CG 3.49Å; L700-Q704 PolarHBondContact O-N 3.08Å; F702-Q704 PolarHBondContact O-N 3.02Å |
| 705 | H | 76.8 | Confident | 81 | Confident | 46 Ų | 46 | 23.9 Ų | 23.9 | 21% | 0.213 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -84.5 | -42.6 | -174.6 | -171 | 73.5 | 0 | 0 | 0 | 112.9 | P701 F702 W753 E756 | P701-H705 VanDerWaalsContact O-CB 3.26Å; P701-H705 WeakPolarHBondContact O-CB 3.22Å; P701-H705 PolarHBondContact O-N 3.39Å; P701-H705 VanDerWaalsContact O-N 3.08Å; F702-H705 PolarHBondContact O-N 3.15Å; H705-W753 AromaticContact CD2-CD1 3.89Å; H705-W753 AromaticContact CG-CD1 3.89Å; H705-E756 IonicContact CE1-OE2 2.78Å; H705-E756 IonicContact CG-OE2 3.96Å; H705-E756 IonicContact ND1-OE2 2.73Å; H705-E756 PolarHBondContact ND1-OE2 3.08Å |
| 706 | S | 75.8 | Confident | 80.2 | Confident | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.007 | 13% | 0.133 | C | C | . | . | trans | -145.2 | 57 | -172.6 | 48.2 | 0 | 0 | 0 | 0 | 112.6 | F702 E708 S709 C710 S746 | F702-S706 CarbonylContact O-C 3.6Å; F702-S706 PolarHBondContact O-N 2.85Å; S706-E708 WeakPolarHBondContact CA-OE1 3.45Å; S706-E708 WeakPolarHBondContact CB-OE1 3.4Å; S706-E708 PolarHBondContact O-N 2.91Å; S706-S709 WeakPolarHBondContact O-CB 3.37Å; S706-S709 PolarHBondContact O-N 3.43Å; S706-C710 PolarHBondContact O-SG 2.72Å; S706-C710 VanDerWaalsContact O-SG 3.39Å; S706-S746 PolarHBondContact OG-O 3.12Å | ||
| 707 | P | 83 | Confident | 79.2 | Confident | 47 Ų | 47 | 29.3 Ų | 29.3 | 31% | 0.305 | 15% | 0.152 | S | C | . | . | G | 310 helix | trans | -59.6 | -29.1 | 179.7 | 24.6 | -33.9 | 0 | 0 | 0 | 113.5 | Y659 L703 S709 C710 | Y659-P707 HydrophobicContact CD1-CB 4.2Å; Y659-P707 HydrophobicContact CE1-CB 4.46Å; L703-P707 WeakPolarHBondContact O-CB 3.45Å; P707-S709 PolarHBondContact O-N 3.03Å; P707-C710 PolarHBondContact O-N 3.32Å |
| 708 | E | 75.7 | Confident | 78.5 | Confident | 94 Ų | 94 | 29.5 Ų | 29.5 | 44% | 0.439 | 15% | 0.153 | S | C | . | . | G | 310 helix | trans | -66.1 | -21.1 | 175.2 | 71.3 | -60.5 | 138.1 | 0 | 0 | 113.3 | S706 C710 | S706-E708 WeakPolarHBondContact CA-OE1 3.45Å; S706-E708 WeakPolarHBondContact CB-OE1 3.4Å; S706-E708 PolarHBondContact O-N 2.91Å; E708-C710 VanDerWaalsContact C-N 3.34Å |
| 709 | S | 73.4 | Confident | 77.3 | Confident | 7 Ų | 7 | 30.9 Ų | 30.9 | 5% | 0.049 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -97 | 15.4 | 179 | -52.4 | 0 | 0 | 0 | 0 | 112.5 | S706 P707 S746 L1038 | S706-S709 WeakPolarHBondContact O-CB 3.37Å; S706-S709 PolarHBondContact O-N 3.43Å; P707-S709 PolarHBondContact O-N 3.03Å; S709-S746 VanDerWaalsContact CB-OG 3.27Å; S709-S746 WeakPolarHBondContact CB-OG 3.46Å; S709-S746 PolarHBondContact O-N 3.19Å; S709-S746 PolarHBondContact O-OG 3.32Å; S709-L1038 VanDerWaalsContact O-CD2 3.31Å; S709-L1038 WeakPolarHBondContact O-CD2 3.28Å |
| 710 | C | 80.2 | Confident | 75.6 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | trans | -116.2 | 147 | 179.6 | -59.2 | 0 | 0 | 0 | 0 | 111.6 | Y659 L703 S706 P707 E708 G744 V745 | Y659-C710 WeakPolarHBondContact CB-O 3.44Å; Y659-C710 HydrophobicContact CG-CB 4.23Å; Y659-C710 PolarHBondContact N-O 3.25Å; L703-C710 HydrophobicContact CD2-CB 4.41Å; S706-C710 PolarHBondContact O-SG 2.72Å; S706-C710 VanDerWaalsContact O-SG 3.39Å; P707-C710 PolarHBondContact O-N 3.32Å; E708-C710 VanDerWaalsContact C-N 3.34Å; C710-G744 CarbonylContact C-O 3.59Å; C710-G744 WeakPolarHBondContact CA-O 3.38Å; C710-V745 HydrophobicContact CB-CG1 4.14Å | ||
| 711 | F | 80.8 | Confident | 73.1 | Confident | 6 Ų | 6 | 44.6 Ų | 44.6 | 3% | 0.026 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 150.9 | -175.7 | -60.9 | -94 | 0 | 0 | 0 | 112 | R657 P658 F743 G744 L1038 | R657-F711 CarbonylContact O-C 3.52Å; R657-F711 WeakPolarHBondContact O-CA 3.39Å; P658-F711 HydrophobicContact CG-CE1 4.46Å; F711-F743 CarbonylContact O-C 3.59Å; F711-F743 VanDerWaalsContact O-CA 3.28Å; F711-F743 WeakPolarHBondContact O-CA 3.4Å; F711-F743 WeakPolarHBondContact O-CB 3.41Å; F711-G744 PolarHBondContact N-O 3.47Å; F711-G744 PolarHBondContact O-N 2.85Å; F711-L1038 HydrophobicContact CD2-CD2 3.55Å; F711-L1038 HydrophobicContact CD2-CG 4.44Å; F711-L1038 HydrophobicContact CE2-CD2 3.71Å |
| 712 | M | 86.1 | Confident | 70.6 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 139.6 | 174.2 | -62.9 | -61.4 | -62.5 | 0 | 0 | 109.8 | V656 R657 Y659 D663 C666 M667 M714 C740 F743 | V656-M712 WeakPolarHBondContact CA-O 3.41Å; R657-M712 HydrophobicContact CG-CB 4.46Å; R657-M712 PolarHBondContact N-O 3.3Å; R657-M712 PolarHBondContact O-N 2.98Å; Y659-M712 HydrophobicContact CD2-CG 4.45Å; Y659-M712 HydrophobicContact CD2-SD 4.13Å; D663-M712 HydrophobicContact CB-CE 4.12Å; D663-M712 HydrophobicContact CB-CG 3.95Å; D663-M712 HydrophobicContact CB-SD 3.97Å; C666-M712 VanDerWaalsContact SG-CE 3.5Å; M667-M712 HydrophobicContact CB-CE 4.13Å; M667-M712 HydrophobicContact CB-SD 4.1Å; M667-M712 HydrophobicContact CG-SD 4.18Å; M667-M712 HydrophobicContact SD-SD 4.09Å; M712-M714 HydrophobicContact CB-SD 4.24Å; M712-M714 HydrophobicContact CE-SD 4.26Å; M712-C740 HydrophobicContact CE-CB 4Å; M712-C740 WeakPolarHBondContact CE-SG 3.26Å; M712-F743 HydrophobicContact SD-CB 4.15Å |
| 713 | V | 82.6 | Confident | 68.1 | Low | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 113.3 | 169.2 | -172.3 | 0 | 0 | 0 | 0 | 108.4 | Y654 I655 V656 V741 G742 F998 L1042 L1046 | Y654-V713 HydrophobicContact CD1-CG1 4.08Å; Y654-V713 HydrophobicContact CG-CG1 4.31Å; I655-V713 CarbonylContact O-C 3.54Å; I655-V713 WeakPolarHBondContact O-CA 3.24Å; V656-V713 HydrophobicContact CG2-CG2 4.42Å; V713-V741 HydrophobicContact CB-CG2 4.24Å; V713-V741 HydrophobicContact CG1-CG2 3.74Å; V713-V741 WeakPolarHBondContact O-CG2 3.37Å; V713-V741 PolarHBondContact O-N 3.44Å; V713-G742 WeakPolarHBondContact CB-O 3.42Å; V713-G742 PolarHBondContact N-O 3.34Å; V713-G742 PolarHBondContact O-N 2.93Å; V713-F998 HydrophobicContact CB-CE1 4.15Å; V713-F998 HydrophobicContact CG1-CE1 4.09Å; V713-F998 HydrophobicContact CG2-CE1 3.81Å; V713-F998 HydrophobicContact CG2-CZ 4.13Å; V713-L1042 HydrophobicContact CG2-CD1 3.61Å; V713-L1042 HydrophobicContact CG2-CD2 4.4Å; V713-L1042 HydrophobicContact CG2-CG 4.14Å; V713-L1046 HydrophobicContact CG1-CD2 3.93Å |
| 714 | M | 83.8 | Confident | 65.2 | Low | 25 Ų | 25 | 60.5 Ų | 60.5 | 12% | 0.123 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 138.9 | 177.8 | -43.8 | -64.7 | -76.1 | 0 | 0 | 109.8 | Y654 I655 M712 G738 N739 C740 | Y654-M714 CarbonylContact C-O 3.54Å; Y654-M714 WeakPolarHBondContact CA-O 3.26Å; I655-M714 HydrophobicContact CB-CB 4.15Å; I655-M714 PolarHBondContact N-O 2.92Å; I655-M714 PolarHBondContact O-N 3.03Å; M712-M714 HydrophobicContact CB-SD 4.24Å; M712-M714 HydrophobicContact CE-SD 4.26Å; M714-G738 WeakPolarHBondContact CE-O 3.46Å; M714-N739 CarbonylContact C-O 3.5Å; M714-N739 VanDerWaalsContact CA-O 3.26Å; M714-N739 WeakPolarHBondContact CA-O 3.34Å; M714-C740 HydrophobicContact CE-CB 4.25Å; M714-C740 HydrophobicContact SD-CB 3.91Å |
| 715 | G | 76.9 | Confident | 62.5 | Low | 8 Ų | 8 | 61.7 Ų | 61.7 | 8% | 0.082 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 173.9 | -174.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | N739 V741 | G715-N739 PolarHBondContact N-O 2.88Å; G715-N739 PolarHBondContact O-N 3.25Å; G715-V741 WeakPolarHBondContact O-CG1 3.43Å |
| 716 | P | 69.3 | Low | 60 | Low | 53 Ų | 53 | 64.7 Ų | 64.7 | 34% | 0.344 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -68 | 148.8 | 169.5 | 30.4 | -33.4 | 0 | 0 | 0 | 110.3 | P652 Y654 | P652-P716 HydrophobicContact CB-CG 3.38Å; Y654-P716 WeakPolarHBondContact CE1-O 3.43Å |
| 717 | P | 65.9 | Low | 57.7 | Low | 62 Ų | 62 | 68.7 Ų | 68.7 | 40% | 0.403 | 41% | 0.41 | S | S | . | . | trans | -60.1 | 147.6 | 176.5 | 23 | -31.1 | 0 | 0 | 0 | 111.8 | L719 | P717-L719 PolarHBondContact O-N 3.19Š| ||
| 718 | F | 62.8 | Low | 54.9 | Low | 40 Ų | 40 | 72.5 Ų | 72.5 | 18% | 0.175 | 44% | 0.437 | C | S | . | . | S | Bend | trans | -63.2 | -24.1 | -172.2 | -65 | -60.2 | 0 | 0 | 0 | 114.6 | Y654 V741 F998 D999 V1049 | Y654-F718 HydrophobicContact CD1-CE1 4.48Å; Y654-F718 HydrophobicContact CE1-CD1 4.22Å; Y654-F718 AromaticContact CE1-CE1 3.58Å; Y654-F718 HydrophobicContact CE1-CE1 3.58Å; Y654-F718 HydrophobicContact CE1-CZ 4.18Å; Y654-F718 HydrophobicContact CE2-CE1 4.22Å; Y654-F718 AromaticContact CZ-CD1 3.81Å; Y654-F718 AromaticContact CZ-CE1 3.42Å; Y654-F718 VanDerWaalsContact CZ-CE1 3.42Å; Y654-F718 WeakPolarHBondContact OH-CD1 3.36Å; Y654-F718 VanDerWaalsContact OH-CE1 3.24Å; Y654-F718 WeakPolarHBondContact OH-CE1 3.42Å; F718-V741 HydrophobicContact CE2-CB 4.04Å; F718-V741 HydrophobicContact CE2-CG2 4.45Å; F718-V741 WeakPolarHBondContact CE2-O 3.33Å; F718-V741 HydrophobicContact CZ-CB 4.15Å; F718-V741 HydrophobicContact CZ-CG2 4.07Å; F718-F998 HydrophobicContact CE2-CB 3.9Å; F718-F998 AromaticContact CE2-CD1 3.81Å; F718-F998 HydrophobicContact CE2-CD1 3.81Å; F718-F998 HydrophobicContact CE2-CG 4.3Å; F718-F998 HydrophobicContact CZ-CB 4.43Å; F718-F998 AromaticContact CZ-CD1 3.53Å; F718-F998 HydrophobicContact CZ-CD1 3.53Å; F718-F998 HydrophobicContact CZ-CE1 4.17Å; F718-F998 HydrophobicContact CZ-CG 4.35Å; F718-D999 WeakPolarHBondContact CD2-O 3.49Å; F718-V1049 HydrophobicContact CD1-CB 3.4Å; F718-V1049 HydrophobicContact CD1-CG1 3.81Å; F718-V1049 HydrophobicContact CD1-CG2 3.46Å; F718-V1049 VanDerWaalsContact CD1-CG2 3.46Å; F718-V1049 HydrophobicContact CD2-CG1 4.4Å; F718-V1049 HydrophobicContact CE1-CB 3.7Å; F718-V1049 HydrophobicContact CE1-CG1 4.06Å; F718-V1049 HydrophobicContact CE1-CG2 3.18Å; F718-V1049 HydrophobicContact CG-CB 4.06Å; F718-V1049 HydrophobicContact CG-CG1 4.01Å; F718-V1049 HydrophobicContact CG-CG2 4.45Å; F718-V1049 HydrophobicContact CZ-CG1 4.44Å; F718-V1049 HydrophobicContact CZ-CG2 3.97Å |
| 719 | L | 53.4 | Low | 52.6 | Low | 95 Ų | 95 | 73.9 Ų | 73.9 | 50% | 0.497 | 45% | 0.452 | S | S | . | . | trans | -124.8 | 116.4 | 173.5 | -78.9 | 156.6 | 0 | 0 | 0 | 109.8 | P717 T721 G1002 | P717-L719 PolarHBondContact O-N 3.19Å; L719-T721 PolarHBondContact O-N 3.47Å; L719-G1002 VanDerWaalsContact CD1-CA 3.42Å; L719-G1002 WeakPolarHBondContact CD1-O 3.32Å | ||
| 720 | Q | 46.3 | Very low | 50.5 | Low | 177 Ų | 177 | 79.3 Ų | 79.3 | 83% | 0.827 | 49% | 0.485 | S | S | * | . | trans | -74.6 | 106.7 | 158.2 | -80.9 | 179.6 | -25.9 | 0 | 0 | 107.1 | S722 | Q720-S722 PolarHBondContact O-N 2.87Š| ||
| 721 | T | 32.9 | Very low | 47.8 | Very low | 125 Ų | 125 | 87.4 Ų | 87.4 | 77% | 0.767 | 53% | 0.528 | S | S | * | . | trans | -59.7 | 106.7 | 167.4 | 45.1 | 0 | 0 | 0 | 0 | 108.1 | L719 V723 | L719-T721 PolarHBondContact O-N 3.47Å; T721-V723 PolarHBondContact O-N 2.55Å | ||
| 722 | S | 26.9 | Very low | 45.2 | Very low | 119 Ų | 119 | 98 Ų | 98 | 83% | 0.832 | 57% | 0.568 | S | S | * | * | trans | -74.3 | 63.6 | 175.1 | 52.7 | 0 | 0 | 0 | 0 | 110.5 | Q720 | Q720-S722 PolarHBondContact O-N 2.87Š| ||
| 723 | V | 28.5 | Very low | 42.2 | Very low | 116 Ų | 116 | 105.5 Ų | 105.5 | 70% | 0.703 | 61% | 0.608 | S | S | * | * | trans | -137.8 | 87.6 | 169 | -168.5 | 0 | 0 | 0 | 0 | 106.4 | T721 | T721-V723 PolarHBondContact O-N 2.55Š| ||
| 724 | D | 25.6 | Very low | 39.6 | Very low | 131 Ų | 131 | 114.9 Ų | 114.9 | 70% | 0.701 | 65% | 0.652 | S | S | * | * | trans | 162.6 | 56.3 | 149.4 | -78.5 | -15.8 | 0 | 0 | 0 | 109.9 | S726 | D724-S726 PolarHBondContact O-N 2.74Š| ||
| 725 | C | 25.4 | Very low | 36.9 | Very low | 143 Ų | 143 | 118.2 Ų | 118.2 | 97% | 0.966 | 68% | 0.677 | S | S | * | * | trans | -83.6 | 57.8 | 161.3 | -75.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 726 | S | 24.9 | Very low | 34.7 | Very low | 110 Ų | 110 | 123 Ų | 123 | 77% | 0.769 | 72% | 0.716 | S | S | * | * | trans | -170.9 | 60.2 | 164.8 | 58.7 | 0 | 0 | 0 | 0 | 112.5 | D724 | D724-S726 PolarHBondContact O-N 2.74Š| ||
| 727 | S | 26.5 | Very low | 33.5 | Very low | 85 Ų | 85 | 125.3 Ų | 125.3 | 59% | 0.594 | 73% | 0.733 | S | S | * | * | trans | -153 | 112.4 | 152.5 | 59.8 | 0 | 0 | 0 | 0 | 109.7 | V729 | S727-V729 VanDerWaalsContact C-N 3.32Å; S727-V729 PolarHBondContact O-N 3.1Å | ||
| 728 | S | 25 | Very low | 33.2 | Very low | 127 Ų | 127 | 124 Ų | 124 | 89% | 0.888 | 73% | 0.731 | S | S | * | * | trans | -58.2 | 94 | 164.3 | 51.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 729 | V | 28.4 | Very low | 33.8 | Very low | 122 Ų | 122 | 127.2 Ų | 127.2 | 74% | 0.739 | 75% | 0.75 | S | S | * | * | trans | -113 | 107.1 | 165.8 | -175.2 | 0 | 0 | 0 | 0 | 107.2 | S727 | S727-V729 VanDerWaalsContact C-N 3.32Å; S727-V729 PolarHBondContact O-N 3.1Å | ||
| 730 | T | 28.9 | Very low | 35.2 | Very low | 121 Ų | 121 | 123.6 Ų | 123.6 | 74% | 0.742 | 73% | 0.733 | S | S | * | * | trans | -40.4 | 136.2 | 170.6 | 48.9 | 0 | 0 | 0 | 0 | 113.5 | R732 | T730-R732 PolarHBondContact O-N 3.42Š| ||
| 731 | N | 23.2 | Very low | 36.9 | Very low | 170 Ų | 170 | 115.3 Ų | 115.3 | 91% | 0.909 | 69% | 0.694 | S | S | * | * | trans | 1.5 | 102.4 | 155 | -77.6 | -16.1 | 0 | 0 | 0 | 115.4 | ||||
| 732 | R | 25.6 | Very low | 39.2 | Very low | 229 Ų | 229 | 109.3 Ų | 109.3 | 86% | 0.864 | 66% | 0.658 | S | S | * | * | trans | -125.7 | 133.5 | 147.3 | -81.5 | -172.1 | 177.6 | 179.6 | 0.3 | 108.3 | T730 H734 | T730-R732 PolarHBondContact O-N 3.42Å; R732-H734 PolarHBondContact O-N 2.99Å | ||
| 733 | D | 24.4 | Very low | 41.9 | Very low | 157 Ų | 157 | 103.7 Ų | 103.7 | 84% | 0.84 | 62% | 0.618 | S | S | * | * | trans | -48.2 | 112.5 | -173.1 | -60.1 | -57.2 | 0 | 0 | 0 | 113.1 | S735 | D733-S735 PolarHBondContact O-N 3.16Š| ||
| 734 | H | 26.8 | Very low | 44.2 | Very low | 198 Ų | 198 | 98.1 Ų | 98.1 | 92% | 0.917 | 58% | 0.584 | S | S | * | * | trans | -78.8 | 76.1 | 161.3 | -76.7 | -61.7 | 0 | 0 | 0 | 108.7 | R732 A736 | R732-H734 PolarHBondContact O-N 2.99Å; H734-A736 PolarHBondContact O-N 3.26Å; H734-A736 VanDerWaalsContact O-N 3.12Å | ||
| 735 | S | 27.6 | Very low | 46.6 | Very low | 94 Ų | 94 | 91.9 Ų | 91.9 | 66% | 0.657 | 55% | 0.551 | S | S | * | * | trans | -73.5 | 95.4 | 170.1 | 57.7 | 0 | 0 | 0 | 0 | 110.4 | D733 S737 | D733-S735 PolarHBondContact O-N 3.16Å; S735-S737 VanDerWaalsContact C-N 3.31Å; S735-S737 PolarHBondContact O-N 3.43Å | ||
| 736 | A | 31 | Very low | 48.9 | Very low | 109 Ų | 109 | 85.1 Ų | 85.1 | 90% | 0.901 | 51% | 0.505 | S | S | * | . | S | Bend | trans | 45.9 | 1.8 | 137.5 | 0 | 0 | 0 | 0 | 0 | 123.5 | H734 G738 | H734-A736 PolarHBondContact O-N 3.26Å; H734-A736 VanDerWaalsContact O-N 3.12Å; A736-G738 PolarHBondContact O-N 3.08Å |
| 737 | S | 44.3 | Very low | 51 | Low | 101 Ų | 101 | 79.9 Ų | 79.9 | 71% | 0.706 | 47% | 0.468 | S | S | * | . | trans | -92.9 | 96.6 | 174.1 | 66 | 0 | 0 | 0 | 0 | 110.8 | S735 | S735-S737 VanDerWaalsContact C-N 3.31Å; S735-S737 PolarHBondContact O-N 3.43Å | ||
| 738 | G | 59.3 | Low | 52.8 | Low | 35 Ų | 35 | 76.8 Ų | 76.8 | 36% | 0.361 | 45% | 0.446 | S | S | . | . | trans | -59.2 | 137.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111 | M714 A736 | M714-G738 WeakPolarHBondContact CE-O 3.46Å; A736-G738 PolarHBondContact O-N 3.08Å | ||
| 739 | N | 74.2 | Confident | 54.7 | Low | 107 Ų | 107 | 74.6 Ų | 74.6 | 57% | 0.572 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 146.7 | 177.3 | -75.4 | -17.1 | 0 | 0 | 0 | 110.1 | M714 G715 V741 | M714-N739 CarbonylContact C-O 3.5Å; M714-N739 VanDerWaalsContact CA-O 3.26Å; M714-N739 WeakPolarHBondContact CA-O 3.34Å; G715-N739 PolarHBondContact N-O 2.88Å; G715-N739 PolarHBondContact O-N 3.25Å; N739-V741 PolarHBondContact O-N 3.44Å |
| 740 | C | 84.5 | Confident | 56.2 | Low | 20 Ų | 20 | 69.5 Ų | 69.5 | 14% | 0.135 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 115.5 | 168.1 | 174.1 | 0 | 0 | 0 | 0 | 108.5 | C666 L670 M712 M714 | C666-C740 HydrophobicContact CB-CB 4.14Å; L670-C740 VanDerWaalsContact CD2-SG 3.58Å; M712-C740 HydrophobicContact CE-CB 4Å; M712-C740 WeakPolarHBondContact CE-SG 3.26Å; M714-C740 HydrophobicContact CE-CB 4.25Å; M714-C740 HydrophobicContact SD-CB 3.91Å |
| 741 | V | 81 | Confident | 57.6 | Low | 2 Ų | 2 | 66.4 Ų | 66.4 | 1% | 0.012 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | -7.5 | -179.8 | -64.8 | 0 | 0 | 0 | 0 | 112.5 | Y654 V713 G715 F718 N739 F998 D999 | Y654-V741 HydrophobicContact CD1-CG2 3.68Å; Y654-V741 HydrophobicContact CE1-CG2 3.78Å; V713-V741 HydrophobicContact CB-CG2 4.24Å; V713-V741 HydrophobicContact CG1-CG2 3.74Å; V713-V741 WeakPolarHBondContact O-CG2 3.37Å; V713-V741 PolarHBondContact O-N 3.44Å; G715-V741 WeakPolarHBondContact O-CG1 3.43Å; F718-V741 HydrophobicContact CE2-CB 4.04Å; F718-V741 HydrophobicContact CE2-CG2 4.45Å; F718-V741 WeakPolarHBondContact CE2-O 3.33Å; F718-V741 HydrophobicContact CZ-CB 4.15Å; F718-V741 HydrophobicContact CZ-CG2 4.07Å; N739-V741 PolarHBondContact O-N 3.44Å; V741-F998 CarbonylContact O-C 3.27Å; V741-F998 WeakPolarHBondContact O-CA 3.37Å; V741-D999 PolarHBondContact O-N 3.43Å |
| 742 | G | 80.4 | Confident | 59.6 | Low | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.8 | 167.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V713 E997 | V713-G742 WeakPolarHBondContact CB-O 3.42Å; V713-G742 PolarHBondContact N-O 3.34Å; V713-G742 PolarHBondContact O-N 2.93Å; G742-E997 CarbonylContact C-O 3.31Å; G742-E997 WeakPolarHBondContact CA-O 3.31Å |
| 743 | F | 83.7 | Confident | 61.6 | Low | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 158.6 | 175.4 | 59.7 | -95.5 | 0 | 0 | 0 | 110.4 | M667 L670 F671 L699 F711 M712 V745 I996 E997 | M667-F743 HydrophobicContact CG-CB 3.81Å; M667-F743 HydrophobicContact CG-CD1 3.48Å; M667-F743 VanDerWaalsContact CG-CD1 3.48Å; M667-F743 HydrophobicContact CG-CD2 3.99Å; M667-F743 HydrophobicContact CG-CE1 3.99Å; M667-F743 HydrophobicContact CG-CE2 4.45Å; M667-F743 HydrophobicContact CG-CG 3.48Å; M667-F743 VanDerWaalsContact CG-CG 3.48Å; M667-F743 HydrophobicContact CG-CZ 4.44Å; M667-F743 HydrophobicContact SD-CB 3.81Å; M667-F743 HydrophobicContact SD-CD1 4.37Å; M667-F743 HydrophobicContact SD-CD2 3.85Å; M667-F743 HydrophobicContact SD-CG 3.76Å; L670-F743 HydrophobicContact CD2-CD1 4.01Å; L670-F743 HydrophobicContact CD2-CE1 4.29Å; L670-F743 HydrophobicContact CG-CD1 4.49Å; L670-F743 HydrophobicContact CG-CE1 4.31Å; F671-F743 HydrophobicContact CB-CE1 3.95Å; F671-F743 HydrophobicContact CB-CZ 3.83Å; F671-F743 AromaticContact CD2-CZ 3.89Å; F671-F743 HydrophobicContact CD2-CZ 3.89Å; F671-F743 HydrophobicContact CG-CZ 4.18Å; L699-F743 HydrophobicContact CD1-CE2 4.3Å; L699-F743 HydrophobicContact CD1-CZ 4.09Å; L699-F743 HydrophobicContact CD2-CD2 4.37Å; L699-F743 HydrophobicContact CD2-CE2 3.52Å; L699-F743 HydrophobicContact CD2-CZ 4Å; F711-F743 CarbonylContact O-C 3.59Å; F711-F743 VanDerWaalsContact O-CA 3.28Å; F711-F743 WeakPolarHBondContact O-CA 3.4Å; F711-F743 WeakPolarHBondContact O-CB 3.41Å; M712-F743 HydrophobicContact SD-CB 4.15Å; F743-V745 HydrophobicContact CD2-CG1 4.36Å; F743-I996 WeakPolarHBondContact O-CA 3.31Å; F743-E997 HydrophobicContact CD1-CB 4.33Å; F743-E997 HydrophobicContact CD2-CB 4.43Å; F743-E997 HydrophobicContact CE1-CB 3.75Å; F743-E997 HydrophobicContact CE1-CG 4.5Å; F743-E997 HydrophobicContact CE2-CB 3.85Å; F743-E997 HydrophobicContact CE2-CG 4.06Å; F743-E997 HydrophobicContact CZ-CB 3.48Å; F743-E997 VanDerWaalsContact CZ-CB 3.48Å; F743-E997 HydrophobicContact CZ-CG 3.79Å; F743-E997 PolarHBondContact N-O 3.3Å; F743-E997 PolarHBondContact O-N 3.08Å |
| 744 | G | 77.4 | Confident | 63.4 | Low | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 133.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | C710 F711 W995 | C710-G744 CarbonylContact C-O 3.59Å; C710-G744 WeakPolarHBondContact CA-O 3.38Å; F711-G744 PolarHBondContact N-O 3.47Å; F711-G744 PolarHBondContact O-N 2.85Å; G744-W995 CarbonylContact C-O 3.22Å; G744-W995 VanDerWaalsContact CA-O 3.27Å; G744-W995 WeakPolarHBondContact CA-O 3.49Å |
| 745 | V | 77.3 | Confident | 65.2 | Low | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 144.4 | 176.5 | -59.7 | 0 | 0 | 0 | 0 | 109.8 | M667 L699 F702 C710 F743 W995 | M667-V745 HydrophobicContact SD-CG1 4.26Å; L699-V745 HydrophobicContact CD2-CG2 4.47Å; F702-V745 HydrophobicContact CB-CB 3.8Å; F702-V745 HydrophobicContact CB-CG1 4.34Å; F702-V745 HydrophobicContact CB-CG2 4.1Å; F702-V745 HydrophobicContact CD1-CB 4.2Å; F702-V745 HydrophobicContact CD1-CG2 3.99Å; F702-V745 HydrophobicContact CD2-CB 4.41Å; F702-V745 HydrophobicContact CD2-CG2 3.76Å; F702-V745 HydrophobicContact CE1-CG2 4.34Å; F702-V745 HydrophobicContact CE2-CG2 4.11Å; F702-V745 HydrophobicContact CG-CB 3.9Å; F702-V745 HydrophobicContact CG-CG2 3.68Å; F702-V745 HydrophobicContact CZ-CG2 4.39Å; C710-V745 HydrophobicContact CB-CG1 4.14Å; F743-V745 HydrophobicContact CD2-CG1 4.36Å; V745-W995 HydrophobicContact CG2-CB 3.74Å; V745-W995 HydrophobicContact CG2-CD2 4.37Å; V745-W995 HydrophobicContact CG2-CE3 3.94Å; V745-W995 HydrophobicContact CG2-CG 4.34Å; V745-W995 PolarHBondContact N-O 3.1Å; V745-W995 PolarHBondContact O-N 2.95Å |
| 746 | S | 73.2 | Confident | 67.1 | Low | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 154.5 | 174.6 | 65.4 | 0 | 0 | 0 | 0 | 113 | S706 S709 I993 | S706-S746 PolarHBondContact OG-O 3.12Å; S709-S746 VanDerWaalsContact CB-OG 3.27Å; S709-S746 WeakPolarHBondContact CB-OG 3.46Å; S709-S746 PolarHBondContact O-N 3.19Å; S709-S746 PolarHBondContact O-OG 3.32Å; S746-I993 CarbonylContact C-O 3.55Å; S746-I993 WeakPolarHBondContact CA-O 3.34Å; S746-I993 VanDerWaalsContact CB-O 3.31Å; S746-I993 WeakPolarHBondContact CB-O 3.4Å |
| 747 | A | 68.9 | Low | 68.9 | Low | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 111.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | F702 W753 A992 I993 | F702-A747 HydrophobicContact CD1-CB 4.1Å; F702-A747 HydrophobicContact CE1-CB 4.18Å; A747-W753 HydrophobicContact CB-CB 3.89Å; A747-W753 HydrophobicContact CB-CD2 4.29Å; A747-W753 HydrophobicContact CB-CG 3.65Å; A747-A992 WeakPolarHBondContact O-CA 3.33Å; A747-A992 WeakPolarHBondContact O-CB 3.49Å; A747-I993 HydrophobicContact CB-CB 4.49Å; A747-I993 PolarHBondContact N-O 2.96Å; A747-I993 PolarHBondContact O-N 2.69Å; A747-I993 VanDerWaalsContact O-N 3.14Å |
| 748 | P | 63.1 | Low | 69.9 | Low | 20 Ų | 20 | 37.7 Ų | 37.7 | 13% | 0.13 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -71.3 | -31.5 | -176.1 | 25.8 | -32 | 0 | 0 | 0 | 113.2 | V1034 | P748-V1034 HydrophobicContact CB-CG2 4.45Š|
| 749 | D | 65.7 | Low | 70.3 | Confident | 82 Ų | 82 | 41 Ų | 41 | 44% | 0.439 | 22% | 0.22 | S | C | . | . | trans | -106.9 | 87.5 | 172.7 | -174.1 | -16.8 | 0 | 0 | 0 | 109.8 | V751 C752 W753 | D749-V751 PolarHBondContact O-N 2.77Å; D749-V751 WeakPolarHBondContact OD1-CB 3.4Å; D749-V751 PolarHBondContact OD1-N 3.45Å; D749-V751 VanDerWaalsContact OD1-N 3.08Å; D749-C752 HydrophobicContact CB-CB 3.98Å; D749-C752 PolarHBondContact O-N 3.13Å; D749-C752 PolarHBondContact OD1-N 2.87Å; D749-C752 WeakPolarHBondContact OD2-CB 2.99Å; D749-W753 VanDerWaalsContact O-CB 3.24Å; D749-W753 WeakPolarHBondContact O-CB 3.3Å; D749-W753 PolarHBondContact O-N 3.45Å | ||
| 750 | A | 60.2 | Low | 70.1 | Confident | 15 Ų | 15 | 42.4 Ų | 42.4 | 12% | 0.124 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.6 | -27.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | A754 P991 I993 | A750-A754 WeakPolarHBondContact O-CB 3.45Å; A750-A754 PolarHBondContact O-N 3.29Å; A750-P991 WeakPolarHBondContact CB-O 3.41Å; A750-I993 HydrophobicContact CB-CD1 4.09Å; A750-I993 HydrophobicContact CB-CG1 3.95Å |
| 751 | V | 57.6 | Low | 69.6 | Low | 55 Ų | 55 | 42 Ų | 42 | 33% | 0.333 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -72.4 | -50 | 179.2 | 177.2 | 0 | 0 | 0 | 0 | 110.3 | D749 A754 R755 L1020 | D749-V751 PolarHBondContact O-N 2.77Å; D749-V751 WeakPolarHBondContact OD1-CB 3.4Å; D749-V751 PolarHBondContact OD1-N 3.45Å; D749-V751 VanDerWaalsContact OD1-N 3.08Å; V751-A754 PolarHBondContact O-N 2.99Å; V751-R755 WeakPolarHBondContact O-CB 3.18Å; V751-R755 VanDerWaalsContact O-CG 3.32Å; V751-R755 WeakPolarHBondContact O-CG 3.4Å; V751-R755 PolarHBondContact O-N 2.69Å; V751-L1020 HydrophobicContact CG2-CD2 3.32Å |
| 752 | C | 65.3 | Low | 69.3 | Low | 41 Ų | 41 | 42.9 Ų | 42.9 | 28% | 0.277 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -64.5 | -45.5 | 178.3 | -163.7 | 0 | 0 | 0 | 0 | 110.6 | D749 A754 R755 E756 | D749-C752 HydrophobicContact CB-CB 3.98Å; D749-C752 PolarHBondContact O-N 3.13Å; D749-C752 PolarHBondContact OD1-N 2.87Å; D749-C752 WeakPolarHBondContact OD2-CB 2.99Å; C752-A754 PolarHBondContact O-N 2.64Å; C752-R755 PolarHBondContact O-N 3.38Å; C752-E756 PolarHBondContact O-N 3.05Å |
| 753 | W | 68.3 | Low | 69.2 | Low | 12 Ų | 12 | 48.1 Ų | 48.1 | 5% | 0.045 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -55 | -48.1 | 173.7 | -179 | 89.4 | 0 | 0 | 0 | 112.1 | P701 F702 H705 A747 D749 R755 R757 I993 | P701-W753 HydrophobicContact CB-CZ2 3.77Å; P701-W753 PolarHBondContact O-NE1 3.35Å; F702-W753 HydrophobicContact CD1-CZ2 4.23Å; F702-W753 AromaticContact CD1-NE1 3.74Å; F702-W753 AromaticContact CD2-CZ2 3.95Å; F702-W753 HydrophobicContact CD2-CZ2 3.95Å; F702-W753 AromaticContact CE1-CE2 3.94Å; F702-W753 HydrophobicContact CE1-CH2 4.49Å; F702-W753 AromaticContact CE1-CZ2 3.79Å; F702-W753 HydrophobicContact CE1-CZ2 3.79Å; F702-W753 HydrophobicContact CE2-CH2 4.19Å; F702-W753 AromaticContact CE2-CZ2 3.49Å; F702-W753 HydrophobicContact CE2-CZ2 3.49Å; F702-W753 VanDerWaalsContact CE2-CZ2 3.49Å; F702-W753 HydrophobicContact CG-CZ2 4.31Å; F702-W753 AromaticContact CG-NE1 3.91Å; F702-W753 AromaticContact CZ-CH2 3.9Å; F702-W753 HydrophobicContact CZ-CH2 3.9Å; F702-W753 AromaticContact CZ-CZ2 3.39Å; F702-W753 HydrophobicContact CZ-CZ2 3.39Å; H705-W753 AromaticContact CD2-CD1 3.89Å; H705-W753 AromaticContact CG-CD1 3.89Å; A747-W753 HydrophobicContact CB-CB 3.89Å; A747-W753 HydrophobicContact CB-CD2 4.29Å; A747-W753 HydrophobicContact CB-CG 3.65Å; D749-W753 VanDerWaalsContact O-CB 3.24Å; D749-W753 WeakPolarHBondContact O-CB 3.3Å; D749-W753 PolarHBondContact O-N 3.45Å; W753-R755 PolarHBondContact O-N 3.49Å; W753-R757 WeakPolarHBondContact O-CB 3.36Å; W753-R757 PolarHBondContact O-N 2.86Å; W753-I993 HydrophobicContact CD2-CD1 4.02Å; W753-I993 HydrophobicContact CE3-CD1 3.31Å; W753-I993 HydrophobicContact CH2-CD1 3.98Å; W753-I993 HydrophobicContact CZ3-CD1 3.29Å |
| 754 | A | 62.2 | Low | 69.2 | Low | 34 Ų | 34 | 50.6 Ų | 50.6 | 28% | 0.281 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -65.2 | -40 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A750 V751 C752 T758 | A750-A754 WeakPolarHBondContact O-CB 3.45Å; A750-A754 PolarHBondContact O-N 3.29Å; V751-A754 PolarHBondContact O-N 2.99Å; C752-A754 PolarHBondContact O-N 2.64Å; A754-T758 WeakPolarHBondContact O-CB 3.25Å; A754-T758 PolarHBondContact O-N 2.97Å; A754-T758 PolarHBondContact O-OG1 3.16Å |
| 755 | R | 64.9 | Low | 69.5 | Low | 172 Ų | 172 | 50.9 Ų | 50.9 | 65% | 0.649 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -65.4 | -46.9 | 176.9 | -76.5 | 178.4 | -171.2 | 171.1 | 5.6 | 112.2 | V751 C752 W753 T758 T759 | V751-R755 WeakPolarHBondContact O-CB 3.18Å; V751-R755 VanDerWaalsContact O-CG 3.32Å; V751-R755 WeakPolarHBondContact O-CG 3.4Å; V751-R755 PolarHBondContact O-N 2.69Å; C752-R755 PolarHBondContact O-N 3.38Å; W753-R755 PolarHBondContact O-N 3.49Å; R755-T758 PolarHBondContact O-N 3.33Å; R755-T759 WeakPolarHBondContact O-CB 3.33Å; R755-T759 PolarHBondContact O-N 3.16Å; R755-T759 PolarHBondContact O-OG1 3.04Å |
| 756 | E | 67.3 | Low | 69.8 | Low | 97 Ų | 97 | 53.1 Ų | 53.1 | 45% | 0.453 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -66.1 | -41.1 | 178.2 | -74.9 | -172.7 | 173.3 | 0 | 0 | 111.6 | H705 C752 T758 T759 H760 Y761 | H705-E756 IonicContact CE1-OE2 2.78Å; H705-E756 IonicContact CG-OE2 3.96Å; H705-E756 IonicContact ND1-OE2 2.73Å; H705-E756 PolarHBondContact ND1-OE2 3.08Å; C752-E756 PolarHBondContact O-N 3.05Å; E756-T758 VanDerWaalsContact C-N 3.27Å; E756-T758 PolarHBondContact O-N 3.05Å; E756-T759 PolarHBondContact O-N 3.24Å; E756-H760 PolarHBondContact O-N 2.94Å; E756-Y761 PolarHBondContact O-N 2.76Å |
| 757 | R | 68.2 | Low | 70.4 | Confident | 41 Ų | 41 | 60.3 Ų | 60.3 | 16% | 0.155 | 31% | 0.312 | C | S | . | . | I | π-helix | trans | -56.1 | -44.1 | 172.5 | -169.9 | -179.9 | 81.4 | 169.9 | 0.2 | 111.4 | P701 W753 Y761 R762 E856 I860 | P701-R757 HydrophobicContact CB-CG 4.14Å; P701-R757 HydrophobicContact CG-CG 4.01Å; W753-R757 WeakPolarHBondContact O-CB 3.36Å; W753-R757 PolarHBondContact O-N 2.86Å; R757-Y761 HydrophobicContact CG-CD1 3.93Å; R757-Y761 HydrophobicContact CG-CG 4.47Å; R757-Y761 WeakPolarHBondContact O-CB 3.36Å; R757-R762 PolarHBondContact O-N 3.03Å; R757-E856 IonicContact CZ-OE2 3.85Å; R757-E856 VanDerWaalsContact CZ-OE2 3.24Å; R757-E856 IonicContact NE-OE1 3.3Å; R757-E856 IonicContact NE-OE2 2.76Å; R757-E856 PolarHBondContact NE-OE2 3.07Å; R757-E856 VanDerWaalsContact NH2-CD 3.34Å; R757-E856 IonicContact NH2-OE1 3.96Å; R757-E856 IonicContact NH2-OE2 3.58Å; R757-E856 PolarHBondContact NH2-OE2 3.13Å; R757-I860 VanDerWaalsContact NH2-CD1 3.31Å |
| 758 | T | 65.9 | Low | 71.3 | Confident | 59 Ų | 59 | 64.7 Ų | 64.7 | 36% | 0.362 | 33% | 0.331 | S | S | . | . | I | π-helix | trans | -69.6 | -44 | 179.9 | -55.5 | 0 | 0 | 0 | 0 | 112 | A754 R755 E756 R762 E856 | A754-T758 WeakPolarHBondContact O-CB 3.25Å; A754-T758 PolarHBondContact O-N 2.97Å; A754-T758 PolarHBondContact O-OG1 3.16Å; R755-T758 PolarHBondContact O-N 3.33Å; E756-T758 VanDerWaalsContact C-N 3.27Å; E756-T758 PolarHBondContact O-N 3.05Å; T758-R762 WeakPolarHBondContact O-CB 3.4Å; T758-E856 PolarHBondContact OG1-OE2 3.07Å |
| 759 | T | 68 | Low | 72.5 | Confident | 105 Ų | 105 | 64 Ų | 64 | 64% | 0.644 | 33% | 0.326 | S | S | * | . | I | π-helix | trans | -89.3 | -46.8 | -165.6 | -41.5 | 0 | 0 | 0 | 0 | 112.9 | R755 E756 | R755-T759 WeakPolarHBondContact O-CB 3.33Å; R755-T759 PolarHBondContact O-N 3.16Å; R755-T759 PolarHBondContact O-OG1 3.04Å; E756-T759 PolarHBondContact O-N 3.24Å |
| 760 | H | 69.4 | Low | 73.3 | Confident | 135 Ų | 135 | 62.7 Ų | 62.7 | 63% | 0.625 | 32% | 0.322 | S | S | * | . | I | π-helix | trans | -101.3 | -40.7 | -170.8 | -166.7 | -75.4 | 0 | 0 | 0 | 112 | E756 S764 | E756-H760 PolarHBondContact O-N 2.94Å; H760-S764 PolarHBondContact O-N 3.44Å; H760-S764 PolarHBondContact O-OG 3.05Å |
| 761 | Y | 74 | Confident | 74 | Confident | 11 Ų | 11 | 69.7 Ų | 69.7 | 4% | 0.043 | 35% | 0.345 | C | S | . | . | I | π-helix | trans | -75.2 | -41.7 | -174.3 | 170.4 | -86.9 | 0 | 0 | 0 | 111.8 | D696 K697 L700 P701 E756 R757 E763 S764 M765 F850 | D696-Y761 PolarHBondContact O-OH 3.15Å; K697-Y761 WeakPolarHBondContact CA-OH 3.28Å; K697-Y761 PolarHBondContact N-OH 3Å; L700-Y761 HydrophobicContact CB-CE2 3.79Å; L700-Y761 HydrophobicContact CD2-CE2 3.85Å; L700-Y761 HydrophobicContact CG-CD2 4.45Å; L700-Y761 HydrophobicContact CG-CE2 3.9Å; P701-Y761 HydrophobicContact CG-CD1 4.19Å; P701-Y761 HydrophobicContact CG-CD2 4.04Å; P701-Y761 HydrophobicContact CG-CE1 4.01Å; P701-Y761 HydrophobicContact CG-CE2 3.83Å; P701-Y761 HydrophobicContact CG-CG 4.23Å; E756-Y761 PolarHBondContact O-N 2.76Å; R757-Y761 HydrophobicContact CG-CD1 3.93Å; R757-Y761 HydrophobicContact CG-CG 4.47Å; R757-Y761 WeakPolarHBondContact O-CB 3.36Å; Y761-E763 VanDerWaalsContact C-N 3.35Å; Y761-E763 PolarHBondContact O-N 3.16Å; Y761-S764 WeakPolarHBondContact O-CB 3.48Å; Y761-S764 PolarHBondContact O-N 3.04Å; Y761-S764 VanDerWaalsContact O-N 3.15Å; Y761-M765 HydrophobicContact CD1-CG 4.06Å; Y761-M765 HydrophobicContact CD2-CE 4.14Å; Y761-M765 HydrophobicContact CD2-CG 4.41Å; Y761-M765 HydrophobicContact CE1-CG 3.44Å; Y761-M765 VanDerWaalsContact CE1-CG 3.44Å; Y761-M765 HydrophobicContact CE1-SD 4.45Å; Y761-M765 HydrophobicContact CE2-CE 3.58Å; Y761-M765 HydrophobicContact CE2-CG 3.86Å; Y761-M765 HydrophobicContact CE2-SD 4Å; Y761-M765 HydrophobicContact CG-CG 4.46Å; Y761-M765 WeakPolarHBondContact O-CG 3.16Å; Y761-M765 PolarHBondContact O-N 3.2Å; Y761-M765 WeakPolarHBondContact OH-CG 3.46Å; Y761-M765 PolarHBondContact OH-SD 3.01Å; Y761-M765 VanDerWaalsContact OH-SD 3.35Å; Y761-F850 HydrophobicContact CE1-CE1 4.05Å |
| 762 | R | 73.7 | Confident | 74.5 | Confident | 22 Ų | 22 | 74 Ų | 74 | 8% | 0.083 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -58 | -44.6 | 176.8 | -156.9 | -178.7 | -136.2 | 146.9 | 1.6 | 112.3 | R757 T758 M765 K766 F850 N852 E856 D859 | R757-R762 PolarHBondContact O-N 3.03Å; T758-R762 WeakPolarHBondContact O-CB 3.4Å; R762-M765 PolarHBondContact O-N 3.16Å; R762-K766 VanDerWaalsContact O-CG 3.32Å; R762-K766 WeakPolarHBondContact O-CG 3.26Å; R762-K766 PolarHBondContact O-N 2.9Å; R762-F850 WeakPolarHBondContact CG-O 3.48Å; R762-N852 PolarHBondContact NH2-O 3.49Å; R762-N852 VanDerWaalsContact NH2-O 3.15Å; R762-E856 IonicContact CZ-OE1 2.77Å; R762-E856 IonicContact NH1-OE1 3.1Å; R762-D859 IonicContact NH2-OD2 3.5Å |
| 763 | E | 78.9 | Confident | 74.5 | Confident | 109 Ų | 109 | 75.9 Ų | 75.9 | 51% | 0.509 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64.1 | -40.6 | 175.9 | -69.3 | -57.3 | 130.5 | 0 | 0 | 112.3 | Y761 M765 K766 L767 | Y761-E763 VanDerWaalsContact C-N 3.35Å; Y761-E763 PolarHBondContact O-N 3.16Å; E763-M765 VanDerWaalsContact C-N 3.33Å; E763-M765 PolarHBondContact O-N 2.65Å; E763-K766 PolarHBondContact O-N 3.44Å; E763-K766 IonicContact OE1-NZ 2.89Å; E763-K766 PolarHBondContact OE1-NZ 2.77Å; E763-L767 PolarHBondContact O-N 2.84Å; E763-L767 VanDerWaalsContact O-N 3.12Å |
| 764 | S | 82.6 | Confident | 74.1 | Confident | 52 Ų | 52 | 83.9 Ų | 83.9 | 36% | 0.364 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -63.2 | -39.1 | 175 | -58.6 | 0 | 0 | 0 | 0 | 112.1 | H760 Y761 L767 K768 | H760-S764 PolarHBondContact O-N 3.44Å; H760-S764 PolarHBondContact O-OG 3.05Å; Y761-S764 WeakPolarHBondContact O-CB 3.48Å; Y761-S764 PolarHBondContact O-N 3.04Å; Y761-S764 VanDerWaalsContact O-N 3.15Å; S764-L767 PolarHBondContact O-N 2.99Å; S764-K768 WeakPolarHBondContact O-CB 3.38Å; S764-K768 PolarHBondContact O-N 3.09Å |
| 765 | M | 84.5 | Confident | 74 | Confident | 7 Ų | 7 | 83.5 Ų | 83.5 | 3% | 0.034 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -71.9 | -36.7 | 176.4 | -68.5 | -55.1 | 112.1 | 0 | 0 | 112.7 | D696 L700 Y761 R762 E763 L767 K768 Y769 F850 | D696-M765 HydrophobicContact CB-SD 3.87Å; L700-M765 HydrophobicContact CD2-CE 3.68Å; Y761-M765 HydrophobicContact CD1-CG 4.06Å; Y761-M765 HydrophobicContact CD2-CE 4.14Å; Y761-M765 HydrophobicContact CD2-CG 4.41Å; Y761-M765 HydrophobicContact CE1-CG 3.44Å; Y761-M765 VanDerWaalsContact CE1-CG 3.44Å; Y761-M765 HydrophobicContact CE1-SD 4.45Å; Y761-M765 HydrophobicContact CE2-CE 3.58Å; Y761-M765 HydrophobicContact CE2-CG 3.86Å; Y761-M765 HydrophobicContact CE2-SD 4Å; Y761-M765 HydrophobicContact CG-CG 4.46Å; Y761-M765 WeakPolarHBondContact O-CG 3.16Å; Y761-M765 PolarHBondContact O-N 3.2Å; Y761-M765 WeakPolarHBondContact OH-CG 3.46Å; Y761-M765 PolarHBondContact OH-SD 3.01Å; Y761-M765 VanDerWaalsContact OH-SD 3.35Å; R762-M765 PolarHBondContact O-N 3.16Å; E763-M765 VanDerWaalsContact C-N 3.33Å; E763-M765 PolarHBondContact O-N 2.65Å; M765-L767 VanDerWaalsContact C-N 3.26Å; M765-L767 PolarHBondContact O-N 3.45Å; M765-K768 PolarHBondContact O-N 3.08Å; M765-Y769 PolarHBondContact O-N 3.26Å; M765-Y769 HydrophobicContact SD-CD2 4.29Å; M765-Y769 HydrophobicContact SD-CE2 4.19Å; M765-F850 HydrophobicContact CB-CB 4.28Å; M765-F850 HydrophobicContact CB-CD1 3.66Å; M765-F850 HydrophobicContact CB-CD2 4.25Å; M765-F850 HydrophobicContact CB-CE1 3.94Å; M765-F850 HydrophobicContact CB-CE2 4.49Å; M765-F850 HydrophobicContact CB-CG 3.81Å; M765-F850 HydrophobicContact CB-CZ 4.32Å; M765-F850 HydrophobicContact CG-CD1 3.97Å; M765-F850 HydrophobicContact CG-CE1 3.76Å; M765-F850 HydrophobicContact CG-CZ 4.16Å |
| 766 | K | 83.8 | Confident | 73.4 | Confident | 46 Ų | 46 | 77 Ų | 77 | 20% | 0.2 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -59.5 | -38.7 | 172.8 | -73.4 | 174.4 | -174.7 | 172.4 | 0 | 111.6 | R762 E763 Y769 F850 | R762-K766 VanDerWaalsContact O-CG 3.32Å; R762-K766 WeakPolarHBondContact O-CG 3.26Å; R762-K766 PolarHBondContact O-N 2.9Å; E763-K766 PolarHBondContact O-N 3.44Å; E763-K766 IonicContact OE1-NZ 2.89Å; E763-K766 PolarHBondContact OE1-NZ 2.77Å; K766-Y769 CarbonylContact O-C 3.51Å; K766-F850 WeakPolarHBondContact CE-O 3.3Å |
| 767 | L | 85.7 | Confident | 72.2 | Confident | 152 Ų | 152 | 78.2 Ų | 78.2 | 80% | 0.796 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -72.1 | -39.5 | 177.1 | -169.4 | 70.1 | 0 | 0 | 0 | 112.1 | E763 S764 M765 | E763-L767 PolarHBondContact O-N 2.84Å; E763-L767 VanDerWaalsContact O-N 3.12Å; S764-L767 PolarHBondContact O-N 2.99Å; M765-L767 VanDerWaalsContact C-N 3.26Å; M765-L767 PolarHBondContact O-N 3.45Å |
| 768 | K | 87.3 | Confident | 71.2 | Confident | 91 Ų | 91 | 84.9 Ų | 84.9 | 40% | 0.396 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -73 | -36.5 | 179.5 | -167.4 | 173.4 | -178.7 | -178.6 | 0 | 112.7 | D696 S764 M765 | D696-K768 IonicContact OD1-NZ 3.03Å; D696-K768 WeakPolarHBondContact OD2-CD 3.5Å; D696-K768 WeakPolarHBondContact OD2-CE 3.3Å; D696-K768 IonicContact OD2-NZ 3.31Å; D696-K768 PolarHBondContact OD2-NZ 3.15Å; S764-K768 WeakPolarHBondContact O-CB 3.38Å; S764-K768 PolarHBondContact O-N 3.09Å; M765-K768 PolarHBondContact O-N 3.08Å |
| 769 | Y | 88.7 | Confident | 70.1 | Confident | 6 Ų | 6 | 85.2 Ų | 85.2 | 2% | 0.024 | 44% | 0.438 | C | S | . | . | S | Bend | trans | -129.2 | 75.6 | -177.5 | -56.7 | -66.1 | 0 | 0 | 0 | 111.4 | F690 L693 D696 M765 K766 F850 H851 | F690-Y769 HydrophobicContact CD1-CD1 4.05Å; F690-Y769 HydrophobicContact CD1-CE1 4.06Å; F690-Y769 HydrophobicContact CE1-CD1 4.06Å; F690-Y769 HydrophobicContact CE1-CE1 4.48Å; L693-Y769 HydrophobicContact CB-CE1 4.24Å; L693-Y769 HydrophobicContact CD1-CD1 4.14Å; L693-Y769 HydrophobicContact CD1-CD2 3.64Å; L693-Y769 HydrophobicContact CD1-CE1 4.13Å; L693-Y769 HydrophobicContact CD1-CE2 3.62Å; L693-Y769 HydrophobicContact CD1-CG 3.9Å; L693-Y769 PolarHBondContact N-OH 3.28Å; D696-Y769 HydrophobicContact CB-CE2 4.17Å; D696-Y769 WeakPolarHBondContact OD2-CE2 3.35Å; D696-Y769 PolarHBondContact OD2-OH 3.5Å; M765-Y769 PolarHBondContact O-N 3.26Å; M765-Y769 HydrophobicContact SD-CD2 4.29Å; M765-Y769 HydrophobicContact SD-CE2 4.19Å; K766-Y769 CarbonylContact O-C 3.51Å; Y769-F850 HydrophobicContact CD2-CE2 4.49Å; Y769-H851 PolarHBondContact O-NE2 3.38Å |
| 770 | P | 82.7 | Confident | 69.1 | Low | 55 Ų | 55 | 81.4 Ų | 81.4 | 36% | 0.357 | 41% | 0.414 | S | S | . | . | trans | -63.2 | 151.1 | 177 | 21.8 | -32.2 | 0 | 0 | 0 | 112.6 | D772 F773 | P770-D772 VanDerWaalsContact C-N 3.25Å; P770-D772 PolarHBondContact O-N 3.46Å; P770-F773 HydrophobicContact CG-CD2 3.77Å; P770-F773 HydrophobicContact CG-CE2 4.44Å; P770-F773 WeakPolarHBondContact O-CB 3.45Å; P770-F773 PolarHBondContact O-N 3.46Å | ||
| 771 | R | 73.8 | Confident | 67.7 | Low | 161 Ų | 161 | 78.6 Ų | 78.6 | 61% | 0.608 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -38.9 | -177.7 | -67.9 | -173.2 | -154.2 | -154 | -0.8 | 113.1 | F773 H851 | R771-F773 PolarHBondContact O-N 2.88Å; R771-H851 HydrophobicContact CG-CB 3.95Å; R771-H851 WeakPolarHBondContact CG-ND1 3.39Å; R771-H851 PolarHBondContact NE-ND1 3.29Å; R771-H851 PolarHBondContact NH2-O 2.92Å |
| 772 | D | 68.3 | Low | 66.1 | Low | 147 Ų | 147 | 85.8 Ų | 85.8 | 79% | 0.786 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | 22.4 | -173 | -57 | -34.2 | 0 | 0 | 0 | 112.7 | P770 Q774 | P770-D772 VanDerWaalsContact C-N 3.25Å; P770-D772 PolarHBondContact O-N 3.46Å; D772-Q774 PolarHBondContact O-N 3.03Å |
| 773 | F | 67.1 | Low | 64.6 | Low | 80 Ų | 80 | 87 Ų | 87 | 35% | 0.351 | 45% | 0.454 | S | S | . | . | trans | -60.6 | 101.9 | 177.3 | -143.8 | -79.1 | 0 | 0 | 0 | 109.2 | E689 F690 P770 R771 I775 | E689-F773 HydrophobicContact CB-CE1 4.42Å; E689-F773 HydrophobicContact CG-CE1 4.14Å; F690-F773 HydrophobicContact CE1-CD1 4.21Å; F690-F773 HydrophobicContact CE1-CG 4.32Å; F690-F773 HydrophobicContact CE2-CD1 4.09Å; F690-F773 HydrophobicContact CE2-CE1 4.37Å; F690-F773 HydrophobicContact CZ-CB 4.17Å; F690-F773 AromaticContact CZ-CD1 3.4Å; F690-F773 HydrophobicContact CZ-CD1 3.4Å; F690-F773 VanDerWaalsContact CZ-CD1 3.4Å; F690-F773 AromaticContact CZ-CE1 3.91Å; F690-F773 HydrophobicContact CZ-CE1 3.91Å; F690-F773 AromaticContact CZ-CG 3.85Å; F690-F773 HydrophobicContact CZ-CG 3.85Å; P770-F773 HydrophobicContact CG-CD2 3.77Å; P770-F773 HydrophobicContact CG-CE2 4.44Å; P770-F773 WeakPolarHBondContact O-CB 3.45Å; P770-F773 PolarHBondContact O-N 3.46Å; R771-F773 PolarHBondContact O-N 2.88Å; F773-I775 PolarHBondContact O-N 3.06Å | ||
| 774 | Q | 58.5 | Low | 62.6 | Low | 179 Ų | 179 | 88 Ų | 88 | 84% | 0.836 | 46% | 0.464 | S | S | * | . | trans | -68 | 105.5 | 177.8 | -71.6 | -176.2 | 1 | 0 | 0 | 108 | D772 G776 | D772-Q774 PolarHBondContact O-N 3.03Å; Q774-G776 PolarHBondContact O-N 2.66Å | ||
| 775 | I | 59.6 | Low | 60.3 | Low | 26 Ų | 26 | 94.5 Ų | 94.5 | 13% | 0.133 | 49% | 0.485 | C | S | . | . | trans | -63.4 | 111.8 | 172.7 | -50.2 | 173 | 0 | 0 | 0 | 106.3 | F690 F773 V777 L780 E840 I843 | F690-I775 HydrophobicContact CE2-CG1 4.29Å; F773-I775 PolarHBondContact O-N 3.06Å; I775-V777 PolarHBondContact O-N 2.9Å; I775-L780 HydrophobicContact CB-CD1 4.33Å; I775-L780 HydrophobicContact CG2-CD1 3.44Å; I775-L780 VanDerWaalsContact CG2-CD1 3.44Å; I775-L780 HydrophobicContact CG2-CG 4.19Å; I775-E840 HydrophobicContact CD1-CB 4.32Å; I775-E840 HydrophobicContact CD1-CG 4.04Å; I775-I843 HydrophobicContact CD1-CG2 4.45Å | ||
| 776 | G | 52.3 | Low | 57.9 | Low | 36 Ų | 36 | 101.8 Ų | 101.8 | 37% | 0.371 | 52% | 0.523 | S | S | . | . | trans | -58.8 | 111 | -177.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | Q774 H778 S779 | Q774-G776 PolarHBondContact O-N 2.66Å; G776-H778 PolarHBondContact O-N 3.46Å; G776-S779 PolarHBondContact O-N 2.83Å | ||
| 777 | V | 43.2 | Very low | 55.5 | Low | 123 Ų | 123 | 105.5 Ų | 105.5 | 75% | 0.745 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -55.5 | -16.4 | -176.6 | -176.7 | 0 | 0 | 0 | 0 | 112.7 | I775 | I775-V777 PolarHBondContact O-N 2.9Å |
| 778 | H | 46.3 | Very low | 52.8 | Low | 180 Ų | 180 | 104.9 Ų | 104.9 | 83% | 0.833 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -74.1 | -26.3 | 174.3 | -76.8 | -69.1 | 0 | 0 | 0 | 115.1 | G776 S781 | G776-H778 PolarHBondContact O-N 3.46Å; H778-S781 PolarHBondContact O-OG 2.98Å |
| 779 | S | 44.5 | Very low | 50 | Low | 67 Ų | 67 | 103.4 Ų | 103.4 | 47% | 0.469 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -81.5 | -28.9 | -177.9 | -93.5 | 0 | 0 | 0 | 0 | 114.2 | G776 | G776-S779 PolarHBondContact O-N 2.83Å |
| 780 | L | 46.4 | Very low | 47.1 | Very low | 24 Ų | 24 | 111.1 Ų | 111.1 | 13% | 0.126 | 60% | 0.604 | C | S | . | * | H | α-helix | trans | -81.3 | -18.7 | -173.1 | -74.7 | 153 | 0 | 0 | 0 | 114.1 | I775 H782 C783 V839 E840 | I775-L780 HydrophobicContact CB-CD1 4.33Å; I775-L780 HydrophobicContact CG2-CD1 3.44Å; I775-L780 VanDerWaalsContact CG2-CD1 3.44Å; I775-L780 HydrophobicContact CG2-CG 4.19Å; L780-H782 PolarHBondContact O-N 3.38Å; L780-C783 PolarHBondContact O-N 3.48Å; L780-V839 HydrophobicContact CD2-CB 4.5Å; L780-V839 HydrophobicContact CD2-CG1 4.43Å; L780-E840 HydrophobicContact CD1-CG 3.83Å; L780-E840 VanDerWaalsContact CD1-OE1 3.26Å; L780-E840 WeakPolarHBondContact CD1-OE1 3.3Å; L780-E840 HydrophobicContact CD2-CG 4.22Å |
| 781 | S | 39.5 | Very low | 44.5 | Very low | 76 Ų | 76 | 112.1 Ų | 112.1 | 53% | 0.531 | 63% | 0.625 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.4 | -16.2 | -176.3 | 69.4 | 0 | 0 | 0 | 0 | 114.7 | H778 | H778-S781 PolarHBondContact O-OG 2.98Š|
| 782 | H | 41.2 | Very low | 42.5 | Very low | 162 Ų | 162 | 113.9 Ų | 113.9 | 75% | 0.75 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | -25.9 | 178 | -114.2 | 60.7 | 0 | 0 | 0 | 113.8 | L780 | L780-H782 PolarHBondContact O-N 3.38Š|
| 783 | C | 41.3 | Very low | 40.7 | Very low | 48 Ų | 48 | 112.6 Ų | 112.6 | 32% | 0.324 | 64% | 0.637 | S | S | . | * | G | 310 helix | trans | -81.1 | -26.7 | -175.8 | -79 | 0 | 0 | 0 | 0 | 114.1 | L780 K785 | L780-C783 PolarHBondContact O-N 3.48Å; C783-K785 PolarHBondContact O-N 3.27Å |
| 784 | N | 36.7 | Very low | 38.9 | Very low | 131 Ų | 131 | 115.5 Ų | 115.5 | 70% | 0.701 | 66% | 0.656 | S | S | * | * | G | 310 helix | trans | -84.1 | -2.7 | -175.6 | -78.8 | -14.2 | 0 | 0 | 0 | 115.5 | ||
| 785 | K | 35.2 | Very low | 37.7 | Very low | 187 Ų | 187 | 114.3 Ų | 114.3 | 81% | 0.813 | 66% | 0.656 | S | S | * | * | G | 310 helix | trans | -88 | -6.5 | -177.1 | -89.7 | -175.4 | 177.1 | 179.1 | 0 | 115.8 | C783 | C783-K785 PolarHBondContact O-N 3.27Š|
| 786 | L | 34.5 | Very low | 36.5 | Very low | 161 Ų | 161 | 117.6 Ų | 117.6 | 84% | 0.843 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -97.2 | 4.3 | -172.6 | -86 | 152.3 | 0 | 0 | 0 | 115.2 | ||
| 787 | V | 32.8 | Very low | 35.5 | Very low | 123 Ų | 123 | 123 Ų | 123 | 75% | 0.745 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -103.9 | 1.4 | -168.4 | -179.5 | 0 | 0 | 0 | 0 | 114.8 | ||
| 788 | V | 29.8 | Very low | 35 | Very low | 139 Ų | 139 | 123.8 Ų | 123.8 | 84% | 0.842 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -136.6 | 108.9 | 179.4 | -173 | 0 | 0 | 0 | 0 | 112.6 | ||
| 789 | G | 27.1 | Very low | 34.3 | Very low | 60 Ų | 60 | 121.4 Ų | 121.4 | 62% | 0.619 | 69% | 0.694 | S | S | * | * | trans | 86.4 | 109.8 | 150.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 790 | N | 28.2 | Very low | 33.6 | Very low | 168 Ų | 168 | 124.8 Ų | 124.8 | 90% | 0.898 | 71% | 0.712 | S | S | * | * | 167.8 | 107.2 | 102.2 | -84.4 | -4.6 | 0 | 0 | 0 | 110.5 | |||||
| 791 | G | 27.6 | Very low | 32.7 | Very low | 77 Ų | 77 | 130 Ų | 130 | 79% | 0.794 | 75% | 0.745 | S | S | * | * | trans | -90.3 | 116.8 | 143.6 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 792 | E | 32.1 | Very low | 32.3 | Very low | 198 Ų | 198 | 132 Ų | 132 | 93% | 0.925 | 75% | 0.754 | S | S | * | * | trans | -167.1 | 138 | 147 | -109 | 175.5 | -160 | 0 | 0 | 109.8 | ||||
| 793 | T | 30.9 | Very low | 31.8 | Very low | 120 Ų | 120 | 130 Ų | 130 | 74% | 0.736 | 75% | 0.753 | S | S | * | * | trans | -81.3 | 152.2 | -168 | 42.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 794 | N | 30.2 | Very low | 31.3 | Very low | 140 Ų | 140 | 133.3 Ų | 133.3 | 75% | 0.749 | 77% | 0.772 | S | S | * | * | trans | 51.6 | 112.1 | 146.2 | -65.6 | -18 | 0 | 0 | 0 | 120.1 | ||||
| 795 | N | 32.2 | Very low | 30.9 | Very low | 154 Ų | 154 | 133.6 Ų | 133.6 | 82% | 0.824 | 77% | 0.774 | S | S | * | * | 173.7 | 130 | 109.6 | -92.8 | -24.6 | 0 | 0 | 0 | 113.9 | |||||
| 796 | S | 33.7 | Very low | 30.8 | Very low | 96 Ų | 96 | 129.8 Ų | 129.8 | 67% | 0.671 | 77% | 0.766 | S | S | * | * | trans | 36.8 | 118.6 | 142.2 | 64.7 | 0 | 0 | 0 | 0 | 123 | ||||
| 797 | N | 33.2 | Very low | 30.8 | Very low | 149 Ų | 149 | 128.2 Ų | 128.2 | 80% | 0.797 | 76% | 0.763 | S | S | * | * | 55 | 122.4 | 123.4 | -70.4 | -13.2 | 0 | 0 | 0 | 123.3 | |||||
| 798 | L | 31.7 | Very low | 30.6 | Very low | 140 Ų | 140 | 132.4 Ų | 132.4 | 73% | 0.733 | 77% | 0.766 | S | S | * | * | trans | 81.4 | 113.7 | 132.3 | -78.2 | 156.5 | 0 | 0 | 0 | 121.8 | ||||
| 799 | N | 31.5 | Very low | 30.9 | Very low | 129 Ų | 129 | 131.8 Ų | 131.8 | 69% | 0.69 | 76% | 0.757 | S | S | * | * | trans | 76.7 | 109.9 | 137.1 | -73.9 | -7.1 | 0 | 0 | 0 | 122.8 | ||||
| 800 | V | 29.4 | Very low | 31.1 | Very low | 138 Ų | 138 | 137 Ų | 137 | 84% | 0.836 | 77% | 0.765 | S | S | * | * | 43.8 | 113.1 | 129.1 | -170.6 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 801 | T | 28.5 | Very low | 31.9 | Very low | 133 Ų | 133 | 134.3 Ų | 134.3 | 82% | 0.816 | 76% | 0.757 | S | S | * | * | trans | -144.6 | 144.5 | 160.8 | -12.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 802 | T | 30.9 | Very low | 32.4 | Very low | 118 Ų | 118 | 136.2 Ų | 136.2 | 72% | 0.724 | 76% | 0.755 | S | S | * | * | trans | -58 | 137.9 | 166.1 | 36.1 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 803 | V | 29.7 | Very low | 32.6 | Very low | 121 Ų | 121 | 132.7 Ų | 132.7 | 73% | 0.733 | 75% | 0.747 | S | S | * | * | 46.8 | 133.1 | 128.5 | -167.8 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 804 | T | 31 | Very low | 32.7 | Very low | 118 Ų | 118 | 133.4 Ų | 133.4 | 72% | 0.724 | 75% | 0.751 | S | S | * | * | trans | 88.7 | 112.8 | 151.2 | 41.1 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 805 | D | 29.9 | Very low | 32.8 | Very low | 137 Ų | 137 | 131.7 Ų | 131.7 | 73% | 0.733 | 75% | 0.75 | S | S | * | * | 72.1 | 116.5 | 120.8 | -79.5 | -15.1 | 0 | 0 | 0 | 125.7 | |||||
| 806 | T | 31.5 | Very low | 32.9 | Very low | 107 Ų | 107 | 129.8 Ų | 129.8 | 66% | 0.656 | 75% | 0.749 | S | S | * | * | 79 | 127.1 | 126.6 | 55.9 | 0 | 0 | 0 | 0 | 124.8 | |||||
| 807 | T | 34.2 | Very low | 33.1 | Very low | 128 Ų | 128 | 129.7 Ų | 129.7 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | trans | 72.4 | 147.4 | 136 | 60.3 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 808 | R | 30.5 | Very low | 33.4 | Very low | 211 Ų | 211 | 128.2 Ų | 128.2 | 80% | 0.796 | 75% | 0.753 | S | S | * | * | cis | -177.8 | 163.7 | 1 | -137.7 | -178.6 | 167.1 | -178.9 | -1.2 | 107.7 | ||||
| 809 | L | 34.5 | Very low | 33.6 | Very low | 125 Ų | 125 | 129.4 Ų | 129.4 | 65% | 0.654 | 76% | 0.759 | S | S | * | * | trans | 71.7 | 147.6 | 149.8 | -64 | 157.1 | 0 | 0 | 0 | 118.4 | ||||
| 810 | E | 31.7 | Very low | 33.9 | Very low | 171 Ų | 171 | 128.4 Ų | 128.4 | 80% | 0.799 | 76% | 0.762 | S | S | * | * | cis | -177.2 | 159.8 | -18.1 | -120.5 | -176.2 | -177.7 | 0 | 0 | 106.1 | ||||
| 811 | P | 45.4 | Very low | 34.3 | Very low | 111 Ų | 111 | 127.4 Ų | 127.4 | 72% | 0.721 | 76% | 0.758 | S | S | * | * | trans | -104.7 | 174.5 | -175.9 | 39.7 | -30.6 | 0 | 0 | 0 | 114 | ||||
| 812 | P | 39.1 | Very low | 34.4 | Very low | 117 Ų | 117 | 128.7 Ų | 128.7 | 76% | 0.76 | 76% | 0.759 | S | S | * | * | -157.1 | 145 | 117.5 | 35.8 | -14.5 | 0 | 0 | 0 | 116.7 | |||||
| 813 | V | 34.3 | Very low | 34.5 | Very low | 123 Ų | 123 | 129.3 Ų | 129.3 | 75% | 0.745 | 76% | 0.763 | S | S | * | * | 94.4 | 132 | 85 | -179.4 | 0 | 0 | 0 | 0 | 117 | |||||
| 814 | T | 34.2 | Very low | 34.5 | Very low | 135 Ų | 135 | 131 Ų | 131 | 83% | 0.828 | 77% | 0.768 | S | S | * | * | trans | 71.3 | 149.9 | 154.6 | 51 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 815 | S | 31.4 | Very low | 34.3 | Very low | 104 Ų | 104 | 131.1 Ų | 131.1 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | cis | -179.7 | 165.2 | -2.5 | 171.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 816 | S | 35.9 | Very low | 34.1 | Very low | 114 Ų | 114 | 136.5 Ų | 136.5 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | trans | 84.6 | 145.6 | 157.5 | 77 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 817 | A | 37.5 | Very low | 33.8 | Very low | 95 Ų | 95 | 137.8 Ų | 137.8 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | cis | -179.9 | 169.1 | -12.9 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 818 | P | 39.6 | Very low | 33.4 | Very low | 117 Ų | 117 | 136.8 Ų | 136.8 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | trans | -114.2 | 176.8 | -140.6 | 42.7 | -36.9 | 0 | 0 | 0 | 118 | ||||
| 819 | L | 34.9 | Very low | 33.4 | Very low | 166 Ų | 166 | 132 Ų | 132 | 87% | 0.869 | 79% | 0.793 | S | S | * | * | trans | -167.8 | 102.1 | 152 | -102.5 | 140.8 | 0 | 0 | 0 | 113.9 | ||||
| 820 | S | 37.1 | Very low | 33 | Very low | 107 Ų | 107 | 133.6 Ų | 133.6 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | 45.6 | 164 | 128.6 | -27.2 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 821 | P | 37.9 | Very low | 32.7 | Very low | 118 Ų | 118 | 131.2 Ų | 131.2 | 77% | 0.766 | 80% | 0.797 | S | S | * | * | -130.1 | -178.9 | -112.2 | 28.3 | -2.4 | 0 | 0 | 0 | 114 | |||||
| 822 | L | 32.3 | Very low | 32 | Very low | 159 Ų | 159 | 131.2 Ų | 131.2 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | trans | -172.5 | 131.3 | 146.9 | -100 | 163.3 | 0 | 0 | 0 | 112.5 | ||||
| 823 | T | 32.6 | Very low | 31.5 | Very low | 131 Ų | 131 | 133.5 Ų | 133.5 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | 81.5 | 125.1 | 154.3 | 60.5 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 824 | D | 28.6 | Very low | 31.7 | Very low | 158 Ų | 158 | 135.3 Ų | 135.3 | 85% | 0.845 | 80% | 0.804 | S | S | * | * | trans | -82.2 | 146.2 | -167.3 | -66.5 | -63.8 | 0 | 0 | 0 | 115.8 | ||||
| 825 | S | 28.3 | Very low | 32.2 | Very low | 120 Ų | 120 | 136.3 Ų | 136.3 | 84% | 0.839 | 80% | 0.804 | S | S | * | * | trans | -164.4 | 98.1 | 136.4 | 64 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 826 | R | 25.7 | Very low | 33.3 | Very low | 250 Ų | 250 | 136.2 Ų | 136.2 | 94% | 0.943 | 80% | 0.801 | S | S | * | * | trans | -92.7 | 115.7 | 172.3 | -78.7 | -175.5 | -175.6 | -170.1 | 1.5 | 109.8 | ||||
| 827 | C | 23.5 | Very low | 34.7 | Very low | 134 Ų | 134 | 133.5 Ų | 133.5 | 91% | 0.905 | 78% | 0.776 | S | S | * | * | trans | -119.7 | 108.3 | 153.1 | -150.9 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 828 | S | 26.9 | Very low | 36.7 | Very low | 107 Ų | 107 | 131.5 Ų | 131.5 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | trans | -83.7 | 117.9 | -177.3 | 39.2 | 0 | 0 | 0 | 0 | 110.4 | I830 | S828-I830 PolarHBondContact O-N 3.43Š| ||
| 829 | S | 29.2 | Very low | 38.7 | Very low | 110 Ų | 110 | 126.7 Ų | 126.7 | 77% | 0.769 | 73% | 0.728 | S | S | * | * | trans | -66.4 | 120.7 | 167.5 | 52.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 830 | I | 26.2 | Very low | 40.9 | Very low | 159 Ų | 159 | 122.6 Ų | 122.6 | 82% | 0.815 | 71% | 0.705 | S | S | * | * | trans | -81.5 | 113.5 | 165.8 | -62.5 | 171.7 | 0 | 0 | 0 | 107.1 | S828 | S828-I830 PolarHBondContact O-N 3.43Š| ||
| 831 | T | 26.3 | Very low | 43 | Very low | 120 Ų | 120 | 123.5 Ų | 123.5 | 74% | 0.736 | 70% | 0.697 | S | S | * | * | trans | -82.8 | 119 | 165.5 | 37.5 | 0 | 0 | 0 | 0 | 109.3 | N833 | T831-N833 PolarHBondContact O-N 3.13Š| ||
| 832 | P | 30.6 | Very low | 45.1 | Very low | 111 Ų | 111 | 118.5 Ų | 118.5 | 72% | 0.721 | 66% | 0.664 | S | S | * | * | trans | -76 | 115.5 | 170.2 | 29.5 | -29 | 0 | 0 | 0 | 108.9 | Q834 | P832-Q834 PolarHBondContact O-N 3.19Š| ||
| 833 | N | 28 | Very low | 47.6 | Very low | 166 Ų | 166 | 111 Ų | 111 | 89% | 0.888 | 62% | 0.624 | S | S | * | * | trans | -81.6 | 86.2 | 177.4 | -148.3 | 18.9 | 0 | 0 | 0 | 108.2 | T831 | T831-N833 PolarHBondContact O-N 3.13Š| ||
| 834 | Q | 39.8 | Very low | 50.1 | Low | 160 Ų | 160 | 110.4 Ų | 110.4 | 75% | 0.748 | 61% | 0.611 | S | S | * | * | trans | -109.6 | 117.1 | 170 | -79.7 | -173.1 | -7.8 | 0 | 0 | 109.7 | P832 | P832-Q834 PolarHBondContact O-N 3.19Š| ||
| 835 | N | 44.4 | Very low | 52.5 | Low | 156 Ų | 156 | 105 Ų | 105 | 83% | 0.834 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 128.2 | 170.4 | -85.6 | -22.7 | 0 | 0 | 0 | 109.1 | M837 | N835-M837 PolarHBondContact O-N 3.26Š|
| 836 | P | 54.2 | Low | 54.9 | Low | 103 Ų | 103 | 99.5 Ų | 99.5 | 67% | 0.669 | 55% | 0.546 | S | S | * | . | P | Polyproline II helix | trans | -63.5 | 127.1 | 178.4 | 24.1 | -31.1 | 0 | 0 | 0 | 110.2 | A838 | P836-A838 PolarHBondContact O-N 3.24Š|
| 837 | M | 65.9 | Low | 57.7 | Low | 56 Ų | 56 | 88.2 Ų | 88.2 | 28% | 0.276 | 51% | 0.505 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 130.1 | 176.3 | -166.2 | -174.5 | -61.8 | 0 | 0 | 109 | L681 N835 E841 F842 L866 | L681-M837 WeakPolarHBondContact CD2-O 3.43Å; N835-M837 PolarHBondContact O-N 3.26Å; M837-E841 HydrophobicContact CG-CB 4.21Å; M837-F842 HydrophobicContact CG-CB 4.44Å; M837-F842 HydrophobicContact SD-CB 3.8Å; M837-F842 HydrophobicContact SD-CD2 3.87Å; M837-F842 HydrophobicContact SD-CG 4.34Å; M837-L866 HydrophobicContact CE-CD2 4.11Å |
| 838 | A | 78.5 | Confident | 60.4 | Low | 54 Ų | 54 | 84.3 Ų | 84.3 | 45% | 0.446 | 48% | 0.479 | S | S | . | . | P | Polyproline II helix | trans | -65 | 139.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110 | P836 E840 E841 F842 | P836-A838 PolarHBondContact O-N 3.24Å; A838-E840 PolarHBondContact O-N 3.47Å; A838-E840 VanDerWaalsContact O-N 3.13Å; A838-E841 HydrophobicContact CB-CB 4.46Å; A838-E841 HydrophobicContact CB-CG 4.29Å; A838-E841 WeakPolarHBondContact O-CA 3.35Å; A838-E841 WeakPolarHBondContact O-CB 3.32Å; A838-E841 PolarHBondContact O-N 3Å; A838-F842 PolarHBondContact O-N 3Å |
| 839 | V | 81.5 | Confident | 62.4 | Low | 15 Ų | 15 | 80 Ų | 80 | 9% | 0.091 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -52 | -40.4 | 180 | 178.5 | 0 | 0 | 0 | 0 | 111.9 | L681 A685 L686 L780 F842 I843 | L681-V839 HydrophobicContact CD1-CG2 4.18Å; L681-V839 HydrophobicContact CD2-CG2 3.65Å; A685-V839 HydrophobicContact CB-CG2 3.92Å; A685-V839 WeakPolarHBondContact O-CG1 3.2Å; L686-V839 HydrophobicContact CD2-CG1 4.45Å; L780-V839 HydrophobicContact CD2-CB 4.5Å; L780-V839 HydrophobicContact CD2-CG1 4.43Å; V839-F842 PolarHBondContact O-N 3.27Å; V839-I843 HydrophobicContact CG1-CD1 3.9Å; V839-I843 HydrophobicContact CG1-CG1 4.47Å; V839-I843 WeakPolarHBondContact O-CG1 3.47Å; V839-I843 PolarHBondContact O-N 3.27Å |
| 840 | E | 81.4 | Confident | 64.6 | Low | 81 Ų | 81 | 75.4 Ų | 75.4 | 38% | 0.379 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.4 | -40.1 | 176.7 | -69.7 | -173.6 | -160 | 0 | 0 | 112.9 | I775 L780 A838 F842 I843 K844 | I775-E840 HydrophobicContact CD1-CB 4.32Å; I775-E840 HydrophobicContact CD1-CG 4.04Å; L780-E840 HydrophobicContact CD1-CG 3.83Å; L780-E840 VanDerWaalsContact CD1-OE1 3.26Å; L780-E840 WeakPolarHBondContact CD1-OE1 3.3Å; L780-E840 HydrophobicContact CD2-CG 4.22Å; A838-E840 PolarHBondContact O-N 3.47Å; A838-E840 VanDerWaalsContact O-N 3.13Å; E840-F842 VanDerWaalsContact C-N 3.34Å; E840-I843 PolarHBondContact O-N 3.48Å; E840-K844 WeakPolarHBondContact O-CB 3.42Å; E840-K844 WeakPolarHBondContact O-CD 3.41Å; E840-K844 WeakPolarHBondContact O-CG 3.37Å; E840-K844 PolarHBondContact O-N 2.92Å; E840-K844 IonicContact OE2-NZ 3.52Å; E840-K844 PolarHBondContact OE2-NZ 3.05Å |
| 841 | E | 80.4 | Confident | 67.2 | Low | 126 Ų | 126 | 68.6 Ų | 68.6 | 59% | 0.589 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -68.2 | -38.4 | 176.9 | -71.6 | -161.9 | 154.6 | 0 | 0 | 111.1 | M837 A838 K844 S845 | M837-E841 HydrophobicContact CG-CB 4.21Å; A838-E841 HydrophobicContact CB-CB 4.46Å; A838-E841 HydrophobicContact CB-CG 4.29Å; A838-E841 WeakPolarHBondContact O-CA 3.35Å; A838-E841 WeakPolarHBondContact O-CB 3.32Å; A838-E841 PolarHBondContact O-N 3Å; E841-K844 PolarHBondContact O-N 3.47Å; E841-S845 WeakPolarHBondContact O-CB 3.33Å; E841-S845 PolarHBondContact O-N 3.41Å |
| 842 | F | 83.2 | Confident | 69.2 | Low | 13 Ų | 13 | 66 Ų | 66 | 6% | 0.057 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.7 | -46.8 | 174.6 | -178.5 | -111.9 | 0 | 0 | 0 | 111.9 | L675 L676 V679 L681 L686 M837 A838 V839 E840 S845 M846 | L675-F842 HydrophobicContact CD2-CZ 3.78Å; L675-F842 HydrophobicContact CG-CZ 4.05Å; L676-F842 HydrophobicContact CD2-CD1 4.25Å; L676-F842 HydrophobicContact CD2-CE1 3.74Å; L676-F842 HydrophobicContact CD2-CZ 4.44Å; V679-F842 HydrophobicContact CG1-CD2 4.37Å; V679-F842 HydrophobicContact CG1-CE2 3.93Å; V679-F842 HydrophobicContact CG2-CD2 4.29Å; V679-F842 HydrophobicContact CG2-CE2 4.11Å; V679-F842 HydrophobicContact CG2-CZ 4.34Å; L681-F842 HydrophobicContact CD1-CB 4.08Å; L681-F842 HydrophobicContact CD1-CD1 3.98Å; L681-F842 HydrophobicContact CD1-CG 4.06Å; L686-F842 HydrophobicContact CD2-CD1 4.11Å; L686-F842 HydrophobicContact CD2-CE1 4.3Å; M837-F842 HydrophobicContact CG-CB 4.44Å; M837-F842 HydrophobicContact SD-CB 3.8Å; M837-F842 HydrophobicContact SD-CD2 3.87Å; M837-F842 HydrophobicContact SD-CG 4.34Å; A838-F842 PolarHBondContact O-N 3Å; V839-F842 PolarHBondContact O-N 3.27Å; E840-F842 VanDerWaalsContact C-N 3.34Å; F842-S845 PolarHBondContact O-N 3.44Å; F842-M846 HydrophobicContact CD1-CE 3.62Å; F842-M846 HydrophobicContact CE1-CE 3.18Å; F842-M846 HydrophobicContact CE1-SD 3.81Å; F842-M846 HydrophobicContact CE2-CE 4.48Å; F842-M846 HydrophobicContact CE2-CG 4.36Å; F842-M846 HydrophobicContact CE2-SD 4.25Å; F842-M846 HydrophobicContact CG-CE 4.43Å; F842-M846 HydrophobicContact CZ-CE 3.68Å; F842-M846 HydrophobicContact CZ-CG 4.29Å; F842-M846 HydrophobicContact CZ-SD 3.61Å; F842-M846 WeakPolarHBondContact O-CG 3.4Å; F842-M846 PolarHBondContact O-N 3.28Å |
| 843 | I | 85.3 | Confident | 70.6 | Confident | 1 Ų | 1 | 67.8 Ų | 67.8 | 1% | 0.005 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.2 | -48.6 | 175.9 | -67.5 | 167.6 | 0 | 0 | 0 | 110.7 | L686 P687 F690 L693 I775 V839 E840 S845 M846 I847 | L686-I843 HydrophobicContact CD2-CD1 3.88Å; L686-I843 HydrophobicContact CD2-CG1 3.54Å; P687-I843 HydrophobicContact CG-CD1 4.34Å; F690-I843 HydrophobicContact CB-CD1 4.43Å; F690-I843 HydrophobicContact CD1-CG2 4.04Å; F690-I843 HydrophobicContact CD2-CD1 3.92Å; F690-I843 HydrophobicContact CD2-CG2 4.19Å; F690-I843 HydrophobicContact CE1-CG2 4.03Å; F690-I843 HydrophobicContact CE2-CG2 4.19Å; F690-I843 HydrophobicContact CG-CD1 4.29Å; F690-I843 HydrophobicContact CG-CG2 4.11Å; F690-I843 HydrophobicContact CZ-CG2 4.08Å; L693-I843 HydrophobicContact CD2-CG2 4.19Å; I775-I843 HydrophobicContact CD1-CG2 4.45Å; V839-I843 HydrophobicContact CG1-CD1 3.9Å; V839-I843 HydrophobicContact CG1-CG1 4.47Å; V839-I843 WeakPolarHBondContact O-CG1 3.47Å; V839-I843 PolarHBondContact O-N 3.27Å; E840-I843 PolarHBondContact O-N 3.48Å; I843-S845 VanDerWaalsContact C-N 3.33Å; I843-S845 PolarHBondContact O-N 2.71Å; I843-M846 PolarHBondContact O-N 2.95Å; I843-I847 HydrophobicContact CG2-CD1 3.67Å; I843-I847 HydrophobicContact CG2-CG1 4.38Å; I843-I847 WeakPolarHBondContact O-CG1 3.49Å; I843-I847 PolarHBondContact O-N 3.44Å |
| 844 | K | 83.2 | Confident | 71.8 | Confident | 119 Ų | 119 | 62.9 Ų | 62.9 | 52% | 0.517 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60 | -43.1 | 179 | -75.8 | 168 | -176.9 | 161.7 | 0 | 111.6 | E840 E841 I847 S848 | E840-K844 WeakPolarHBondContact O-CB 3.42Å; E840-K844 WeakPolarHBondContact O-CD 3.41Å; E840-K844 WeakPolarHBondContact O-CG 3.37Å; E840-K844 PolarHBondContact O-N 2.92Å; E840-K844 IonicContact OE2-NZ 3.52Å; E840-K844 PolarHBondContact OE2-NZ 3.05Å; E841-K844 PolarHBondContact O-N 3.47Å; K844-I847 PolarHBondContact O-N 3.2Å; K844-S848 VanDerWaalsContact O-CB 3.31Å; K844-S848 WeakPolarHBondContact O-CB 3.49Å; K844-S848 PolarHBondContact O-N 3.13Å; K844-S848 PolarHBondContact O-OG 3.25Å |
| 845 | S | 79.1 | Confident | 72.3 | Confident | 45 Ų | 45 | 59.3 Ų | 59.3 | 32% | 0.315 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.3 | -49.2 | 175.1 | 177.2 | 0 | 0 | 0 | 0 | 111.1 | E841 F842 I843 I847 S848 | E841-S845 WeakPolarHBondContact O-CB 3.33Å; E841-S845 PolarHBondContact O-N 3.41Å; F842-S845 PolarHBondContact O-N 3.44Å; I843-S845 VanDerWaalsContact C-N 3.33Å; I843-S845 PolarHBondContact O-N 2.71Å; S845-I847 PolarHBondContact O-N 2.75Å; S845-S848 PolarHBondContact O-N 2.95Å; S845-S848 PolarHBondContact O-OG 3.42Å |
| 846 | M | 80.3 | Confident | 72.4 | Confident | 3 Ų | 3 | 53.5 Ų | 53.5 | 2% | 0.015 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.8 | -37.6 | 178.1 | -75.2 | -163 | -64.3 | 0 | 0 | 114 | L675 L686 L693 P694 K697 F842 I843 S849 F850 | L675-M846 HydrophobicContact CD2-SD 4.46Å; L686-M846 HydrophobicContact CD2-CE 4.45Å; L693-M846 HydrophobicContact CB-CE 4.45Å; L693-M846 HydrophobicContact CD2-CB 3.96Å; L693-M846 HydrophobicContact CD2-CE 3.64Å; L693-M846 HydrophobicContact CG-CB 4.18Å; L693-M846 HydrophobicContact CG-CE 3.85Å; L693-M846 HydrophobicContact CG-SD 4.34Å; P694-M846 HydrophobicContact CG-CE 4.14Å; P694-M846 HydrophobicContact CG-SD 4.16Å; K697-M846 HydrophobicContact CD-CB 4.4Å; K697-M846 HydrophobicContact CD-CG 4.43Å; F842-M846 HydrophobicContact CD1-CE 3.62Å; F842-M846 HydrophobicContact CE1-CE 3.18Å; F842-M846 HydrophobicContact CE1-SD 3.81Å; F842-M846 HydrophobicContact CE2-CE 4.48Å; F842-M846 HydrophobicContact CE2-CG 4.36Å; F842-M846 HydrophobicContact CE2-SD 4.25Å; F842-M846 HydrophobicContact CG-CE 4.43Å; F842-M846 HydrophobicContact CZ-CE 3.68Å; F842-M846 HydrophobicContact CZ-CG 4.29Å; F842-M846 HydrophobicContact CZ-SD 3.61Å; F842-M846 WeakPolarHBondContact O-CG 3.4Å; F842-M846 PolarHBondContact O-N 3.28Å; I843-M846 PolarHBondContact O-N 2.95Å; M846-S849 PolarHBondContact O-OG 3.25Å; M846-F850 WeakPolarHBondContact O-CE2 3.27Å |
| 847 | I | 84.5 | Confident | 71.8 | Confident | 14 Ų | 14 | 53 Ų | 53 | 7% | 0.072 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -73.3 | -41.3 | 179.6 | -66.3 | 172.2 | 0 | 0 | 0 | 111 | F690 L693 I843 K844 S845 S849 F850 H851 | F690-I847 HydrophobicContact CD1-CD1 4.33Å; F690-I847 HydrophobicContact CE1-CD1 3.63Å; F690-I847 HydrophobicContact CZ-CD1 4.25Å; L693-I847 HydrophobicContact CD1-CG1 4.31Å; L693-I847 HydrophobicContact CD2-CD1 4.4Å; L693-I847 HydrophobicContact CD2-CG1 3.91Å; I843-I847 HydrophobicContact CG2-CD1 3.67Å; I843-I847 HydrophobicContact CG2-CG1 4.38Å; I843-I847 WeakPolarHBondContact O-CG1 3.49Å; I843-I847 PolarHBondContact O-N 3.44Å; K844-I847 PolarHBondContact O-N 3.2Å; S845-I847 PolarHBondContact O-N 2.75Å; I847-S849 PolarHBondContact O-N 3.26Å; I847-S849 VanDerWaalsContact O-N 3.13Å; I847-F850 WeakPolarHBondContact O-CD2 3.5Å; I847-F850 PolarHBondContact O-N 3.4Å; I847-H851 PolarHBondContact O-CD2 3.01Å |
| 848 | S | 79.2 | Confident | 70.5 | Confident | 52 Ų | 52 | 54.7 Ų | 54.7 | 36% | 0.364 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -54.2 | -35.9 | -175.7 | 70.9 | 0 | 0 | 0 | 0 | 113.4 | K844 S845 F850 H851 N852 | K844-S848 VanDerWaalsContact O-CB 3.31Å; K844-S848 WeakPolarHBondContact O-CB 3.49Å; K844-S848 PolarHBondContact O-N 3.13Å; K844-S848 PolarHBondContact O-OG 3.25Å; S845-S848 PolarHBondContact O-N 2.95Å; S845-S848 PolarHBondContact O-OG 3.42Å; S848-F850 VanDerWaalsContact C-N 3.27Å; S848-F850 PolarHBondContact O-N 2.99Å; S848-H851 PolarHBondContact O-N 3.33Å; S848-N852 PolarHBondContact O-N 2.98Å; S848-N852 VanDerWaalsContact O-N 3.16Å |
| 849 | S | 69.6 | Low | 68.6 | Low | 17 Ų | 17 | 54 Ų | 54 | 12% | 0.119 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.1 | -26.1 | 179.2 | 55.9 | 0 | 0 | 0 | 0 | 114.7 | K697 M846 I847 H851 | K697-S849 VanDerWaalsContact CE-OG 3.25Å; K697-S849 WeakPolarHBondContact CE-OG 3.04Å; K697-S849 PolarHBondContact NZ-OG 3.43Å; M846-S849 PolarHBondContact O-OG 3.25Å; I847-S849 PolarHBondContact O-N 3.26Å; I847-S849 VanDerWaalsContact O-N 3.13Å; S849-H851 VanDerWaalsContact C-N 3.26Å |
| 850 | F | 75.5 | Confident | 66.4 | Low | 12 Ų | 12 | 54.8 Ų | 54.8 | 5% | 0.053 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -77.3 | -18.4 | 175.6 | -56.3 | -60.1 | 0 | 0 | 0 | 112.8 | L693 K697 Y761 R762 M765 K766 Y769 M846 I847 S848 | L693-F850 HydrophobicContact CD1-CE2 3.82Å; K697-F850 HydrophobicContact CB-CE1 4.26Å; K697-F850 HydrophobicContact CB-CZ 3.59Å; K697-F850 HydrophobicContact CD-CZ 3.99Å; K697-F850 HydrophobicContact CG-CE1 4Å; K697-F850 HydrophobicContact CG-CZ 3.64Å; Y761-F850 HydrophobicContact CE1-CE1 4.05Å; R762-F850 WeakPolarHBondContact CG-O 3.48Å; M765-F850 HydrophobicContact CB-CB 4.28Å; M765-F850 HydrophobicContact CB-CD1 3.66Å; M765-F850 HydrophobicContact CB-CD2 4.25Å; M765-F850 HydrophobicContact CB-CE1 3.94Å; M765-F850 HydrophobicContact CB-CE2 4.49Å; M765-F850 HydrophobicContact CB-CG 3.81Å; M765-F850 HydrophobicContact CB-CZ 4.32Å; M765-F850 HydrophobicContact CG-CD1 3.97Å; M765-F850 HydrophobicContact CG-CE1 3.76Å; M765-F850 HydrophobicContact CG-CZ 4.16Å; K766-F850 WeakPolarHBondContact CE-O 3.3Å; Y769-F850 HydrophobicContact CD2-CE2 4.49Å; M846-F850 WeakPolarHBondContact O-CE2 3.27Å; I847-F850 WeakPolarHBondContact O-CD2 3.5Å; I847-F850 PolarHBondContact O-N 3.4Å; S848-F850 VanDerWaalsContact C-N 3.27Å; S848-F850 PolarHBondContact O-N 2.99Å |
| 851 | H | 79.3 | Confident | 64.2 | Low | 17 Ų | 17 | 53.3 Ų | 53.3 | 8% | 0.079 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -107.2 | -10.6 | -170 | -77.7 | -73.6 | 0 | 0 | 0 | 113.4 | Y769 R771 I847 S848 S849 | Y769-H851 PolarHBondContact O-NE2 3.38Å; R771-H851 HydrophobicContact CG-CB 3.95Å; R771-H851 WeakPolarHBondContact CG-ND1 3.39Å; R771-H851 PolarHBondContact NE-ND1 3.29Å; R771-H851 PolarHBondContact NH2-O 2.92Å; I847-H851 PolarHBondContact O-CD2 3.01Å; S848-H851 PolarHBondContact O-N 3.33Å; S849-H851 VanDerWaalsContact C-N 3.26Å |
| 852 | N | 68.5 | Low | 62.1 | Low | 66 Ų | 66 | 49.4 Ų | 49.4 | 35% | 0.353 | 29% | 0.293 | S | S | . | . | trans | -83.5 | 132.9 | 174.1 | -67.7 | -18.9 | 0 | 0 | 0 | 110.8 | R762 S848 T854 | R762-N852 PolarHBondContact NH2-O 3.49Å; R762-N852 VanDerWaalsContact NH2-O 3.15Å; S848-N852 PolarHBondContact O-N 2.98Å; S848-N852 VanDerWaalsContact O-N 3.16Å; N852-T854 WeakPolarHBondContact CB-OG1 3.23Å; N852-T854 PolarHBondContact O-N 3.18Å | ||
| 853 | D | 60.3 | Low | 59.9 | Low | 147 Ų | 147 | 50 Ų | 50 | 79% | 0.786 | 30% | 0.3 | S | S | * | . | trans | -82.6 | 15.1 | 176.3 | -70.2 | -34.3 | 0 | 0 | 0 | 112.9 | ||||
| 854 | T | 54.6 | Low | 57.5 | Low | 64 Ų | 64 | 53.2 Ų | 53.2 | 39% | 0.393 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -71 | 140.6 | 177.9 | 29.1 | 0 | 0 | 0 | 0 | 111.8 | N852 E856 | N852-T854 WeakPolarHBondContact CB-OG1 3.23Å; N852-T854 PolarHBondContact O-N 3.18Å; T854-E856 PolarHBondContact O-N 3.19Å |
| 855 | S | 50.2 | Low | 55.4 | Low | 85 Ų | 85 | 54.1 Ų | 54.1 | 59% | 0.594 | 33% | 0.33 | S | S | * | . | trans | -52.5 | 120.9 | 169.8 | 175.4 | 0 | 0 | 0 | 0 | 109.6 | V857 V858 | S855-V857 PolarHBondContact O-N 2.86Å; S855-V858 WeakPolarHBondContact O-CB 3.47Å; S855-V858 PolarHBondContact O-N 2.68Å | ||
| 856 | E | 46.5 | Very low | 53.5 | Low | 34 Ų | 34 | 56.9 Ų | 56.9 | 16% | 0.159 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.8 | -15.5 | -169 | -74.9 | -171 | 152.7 | 0 | 0 | 114.5 | R757 T758 R762 T854 V858 D859 I860 | R757-E856 IonicContact CZ-OE2 3.85Å; R757-E856 VanDerWaalsContact CZ-OE2 3.24Å; R757-E856 IonicContact NE-OE1 3.3Å; R757-E856 IonicContact NE-OE2 2.76Å; R757-E856 PolarHBondContact NE-OE2 3.07Å; R757-E856 VanDerWaalsContact NH2-CD 3.34Å; R757-E856 IonicContact NH2-OE1 3.96Å; R757-E856 IonicContact NH2-OE2 3.58Å; R757-E856 PolarHBondContact NH2-OE2 3.13Å; T758-E856 PolarHBondContact OG1-OE2 3.07Å; R762-E856 IonicContact CZ-OE1 2.77Å; R762-E856 IonicContact NH1-OE1 3.1Å; T854-E856 PolarHBondContact O-N 3.19Å; E856-V858 PolarHBondContact O-N 3.15Å; E856-D859 PolarHBondContact O-N 3.2Å; E856-D859 VanDerWaalsContact O-N 3.13Å; E856-I860 WeakPolarHBondContact O-CG1 3.42Å; E856-I860 PolarHBondContact O-N 3.45Å |
| 857 | V | 40.4 | Very low | 51.2 | Low | 92 Ų | 92 | 59.4 Ų | 59.4 | 56% | 0.558 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -56.8 | -33.5 | 171.4 | -172.5 | 0 | 0 | 0 | 0 | 110.4 | S855 A861 | S855-V857 PolarHBondContact O-N 2.86Å; V857-A861 WeakPolarHBondContact O-CB 3.34Å; V857-A861 PolarHBondContact O-N 2.85Å |
| 858 | V | 39.3 | Very low | 48.5 | Very low | 91 Ų | 91 | 63.3 Ų | 63.3 | 55% | 0.552 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -77.6 | -37.9 | 176.8 | -175 | 0 | 0 | 0 | 0 | 111.9 | S855 E856 A861 A862 | S855-V858 WeakPolarHBondContact O-CB 3.47Å; S855-V858 PolarHBondContact O-N 2.68Å; E856-V858 PolarHBondContact O-N 3.15Å; V858-A861 PolarHBondContact O-N 3.31Å; V858-A862 VanDerWaalsContact O-CB 3.29Å; V858-A862 WeakPolarHBondContact O-CB 3.35Å; V858-A862 PolarHBondContact O-N 3.07Å |
| 859 | D | 38.3 | Very low | 46.3 | Very low | 39 Ų | 39 | 65.9 Ų | 65.9 | 21% | 0.209 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -69.8 | -35 | 178.3 | -88.6 | -35.4 | 0 | 0 | 0 | 112.4 | R762 E856 A862 A863 | R762-D859 IonicContact NH2-OD2 3.5Å; E856-D859 PolarHBondContact O-N 3.2Å; E856-D859 VanDerWaalsContact O-N 3.13Å; D859-A862 PolarHBondContact O-N 2.91Å; D859-A863 WeakPolarHBondContact O-CB 3.11Å; D859-A863 PolarHBondContact O-N 2.86Å |
| 860 | I | 35.8 | Very low | 44.5 | Very low | 33 Ų | 33 | 70.6 Ų | 70.6 | 17% | 0.169 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -68.5 | -45.2 | 173.4 | -69 | 164.5 | 0 | 0 | 0 | 110.2 | R757 E856 A862 A863 V864 I1016 | R757-I860 VanDerWaalsContact NH2-CD1 3.31Å; E856-I860 WeakPolarHBondContact O-CG1 3.42Å; E856-I860 PolarHBondContact O-N 3.45Å; I860-A862 VanDerWaalsContact C-N 3.27Å; I860-A862 PolarHBondContact O-N 3.4Å; I860-A863 PolarHBondContact O-N 3.32Å; I860-A863 VanDerWaalsContact O-N 3.15Å; I860-V864 WeakPolarHBondContact O-CG2 3.47Å; I860-V864 PolarHBondContact O-N 2.97Å; I860-I1016 HydrophobicContact CG2-CD1 3.43Å; I860-I1016 VanDerWaalsContact CG2-CD1 3.43Å; I860-I1016 HydrophobicContact CG2-CG2 4.28Å |
| 861 | A | 35.2 | Very low | 42.2 | Very low | 49 Ų | 49 | 77 Ų | 77 | 41% | 0.405 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -60.4 | -37.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | V857 V858 V864 N865 | V857-A861 WeakPolarHBondContact O-CB 3.34Å; V857-A861 PolarHBondContact O-N 2.85Å; V858-A861 PolarHBondContact O-N 3.31Å; A861-V864 PolarHBondContact O-N 3.46Å; A861-N865 PolarHBondContact O-N 3.46Å; A861-N865 VanDerWaalsContact O-N 3.16Å; A861-N865 PolarHBondContact O-ND2 3.01Å |
| 862 | A | 36.3 | Very low | 39.8 | Very low | 45 Ų | 45 | 81.8 Ų | 81.8 | 37% | 0.372 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -69.2 | -34.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | V858 D859 I860 N865 L866 | V858-A862 VanDerWaalsContact O-CB 3.29Å; V858-A862 WeakPolarHBondContact O-CB 3.35Å; V858-A862 PolarHBondContact O-N 3.07Å; D859-A862 PolarHBondContact O-N 2.91Å; I860-A862 VanDerWaalsContact C-N 3.27Å; I860-A862 PolarHBondContact O-N 3.4Å; A862-N865 WeakPolarHBondContact O-CB 3.24Å; A862-N865 PolarHBondContact O-N 3.11Å; A862-L866 PolarHBondContact O-N 2.99Å |
| 863 | A | 36.4 | Very low | 37.9 | Very low | 25 Ų | 25 | 85.2 Ų | 85.2 | 21% | 0.207 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -69 | -34.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | D859 I860 N865 L866 L867 | D859-A863 WeakPolarHBondContact O-CB 3.11Å; D859-A863 PolarHBondContact O-N 2.86Å; I860-A863 PolarHBondContact O-N 3.32Å; I860-A863 VanDerWaalsContact O-N 3.15Å; A863-N865 VanDerWaalsContact C-N 3.26Å; A863-N865 PolarHBondContact O-N 3.4Å; A863-L866 PolarHBondContact O-N 2.89Å; A863-L867 PolarHBondContact O-N 3.1Å |
| 864 | V | 35.5 | Very low | 36.3 | Very low | 68 Ų | 68 | 81.3 Ų | 81.3 | 41% | 0.412 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.9 | -35.2 | 171.2 | 173.1 | 0 | 0 | 0 | 0 | 110.8 | I860 A861 L866 L867 M1014 | I860-V864 WeakPolarHBondContact O-CG2 3.47Å; I860-V864 PolarHBondContact O-N 2.97Å; A861-V864 PolarHBondContact O-N 3.46Å; V864-L866 VanDerWaalsContact C-N 3.3Å; V864-L866 PolarHBondContact O-N 2.87Å; V864-L867 PolarHBondContact O-N 3.07Å; V864-L867 VanDerWaalsContact O-O 3.05Å; V864-M1014 HydrophobicContact CG2-CE 3.77Å |
| 865 | N | 38.9 | Very low | 35.1 | Very low | 138 Ų | 138 | 81.8 Ų | 81.8 | 74% | 0.738 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -15.8 | 175.8 | -67.9 | -31.6 | 0 | 0 | 0 | 114.5 | A861 A862 A863 | A861-N865 PolarHBondContact O-N 3.46Å; A861-N865 VanDerWaalsContact O-N 3.16Å; A861-N865 PolarHBondContact O-ND2 3.01Å; A862-N865 WeakPolarHBondContact O-CB 3.24Å; A862-N865 PolarHBondContact O-N 3.11Å; A863-N865 VanDerWaalsContact C-N 3.26Å; A863-N865 PolarHBondContact O-N 3.4Å |
| 866 | L | 38.5 | Very low | 34 | Very low | 104 Ų | 104 | 83.2 Ų | 83.2 | 55% | 0.545 | 53% | 0.527 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -16.9 | 174 | -84.8 | 159.7 | 0 | 0 | 0 | 112.7 | M837 A862 A863 V864 | M837-L866 HydrophobicContact CE-CD2 4.11Å; A862-L866 PolarHBondContact O-N 2.99Å; A863-L866 PolarHBondContact O-N 2.89Å; V864-L866 VanDerWaalsContact C-N 3.3Å; V864-L866 PolarHBondContact O-N 2.87Å |
| 867 | L | 32.2 | Very low | 33.1 | Very low | 55 Ų | 55 | 88.5 Ų | 88.5 | 29% | 0.288 | 56% | 0.555 | S | S | . | * | S | Bend | trans | -90.1 | 135 | 170.8 | -68.1 | 162.9 | 0 | 0 | 0 | 107.7 | A863 V864 M1014 | A863-L867 PolarHBondContact O-N 3.1Å; V864-L867 PolarHBondContact O-N 3.07Å; V864-L867 VanDerWaalsContact O-O 3.05Å; L867-M1014 HydrophobicContact CD1-CE 3.65Å; L867-M1014 HydrophobicContact CD1-SD 3.42Å; L867-M1014 WeakPolarHBondContact CD1-SD 3.33Å |
| 868 | P | 28.8 | Very low | 32.7 | Very low | 96 Ų | 96 | 90 Ų | 90 | 62% | 0.623 | 57% | 0.567 | S | S | * | * | P | Polyproline II helix | trans | -55 | 133.2 | 172.5 | 22 | -29.9 | 0 | 0 | 0 | 108.5 | ||
| 869 | P | 32.1 | Very low | 32.1 | Very low | 107 Ų | 107 | 93.6 Ų | 93.6 | 70% | 0.695 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 144.5 | 174.3 | 23.8 | -32.1 | 0 | 0 | 0 | 108.3 | E871 | P869-E871 PolarHBondContact O-N 3.27Š|
| 870 | P | 31.5 | Very low | 31.7 | Very low | 115 Ų | 115 | 100.4 Ų | 100.4 | 75% | 0.747 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 122.8 | 172.1 | 23.4 | -30.4 | 0 | 0 | 0 | 107.4 | ||
| 871 | E | 27.8 | Very low | 31.4 | Very low | 147 Ų | 147 | 104 Ų | 104 | 69% | 0.687 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 139.2 | 175.5 | -79.6 | -164.2 | 160.5 | 0 | 0 | 108.7 | P869 L873 | P869-E871 PolarHBondContact O-N 3.27Å; E871-L873 PolarHBondContact O-N 3.01Å |
| 872 | P | 29.4 | Very low | 31.2 | Very low | 118 Ų | 118 | 106.8 Ų | 106.8 | 77% | 0.766 | 65% | 0.649 | S | S | * | * | trans | -60 | 111 | 171.9 | 24.4 | -30 | 0 | 0 | 0 | 107.9 | G874 | P872-G874 PolarHBondContact O-N 3.07Š| ||
| 873 | L | 27.4 | Very low | 30.8 | Very low | 137 Ų | 137 | 113.7 Ų | 113.7 | 72% | 0.717 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | 77.4 | 178.7 | -72.2 | 164.6 | 0 | 0 | 0 | 109.1 | E871 P980 | E871-L873 PolarHBondContact O-N 3.01Å; L873-P980 HydrophobicContact CD1-CG 3.49Å; L873-P980 VanDerWaalsContact CD1-CG 3.49Å |
| 874 | G | 28 | Very low | 30.4 | Very low | 66 Ų | 66 | 118.1 Ų | 118.1 | 68% | 0.68 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -171.8 | -7.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | P872 C876 | P872-G874 PolarHBondContact O-N 3.07Å; G874-C876 PolarHBondContact O-N 3.04Å |
| 875 | G | 28.1 | Very low | 29.9 | Very low | 73 Ų | 73 | 118 Ų | 118 | 75% | 0.753 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -75.8 | -2.9 | -170 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||
| 876 | C | 27.1 | Very low | 29.4 | Very low | 115 Ų | 115 | 117.4 Ų | 117.4 | 78% | 0.777 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -134.8 | 58.8 | -173.5 | -79.5 | 0 | 0 | 0 | 0 | 113.1 | G874 | G874-C876 PolarHBondContact O-N 3.04Š|
| 877 | L | 28.8 | Very low | 28.9 | Very low | 146 Ų | 146 | 120.8 Ų | 120.8 | 76% | 0.764 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -136.5 | 139.3 | 156.5 | -73.5 | 176.8 | 0 | 0 | 0 | 109.7 | M879 | L877-M879 PolarHBondContact O-N 3.49Š|
| 878 | P | 31.6 | Very low | 28.6 | Very low | 122 Ų | 122 | 125.9 Ų | 125.9 | 79% | 0.792 | 77% | 0.766 | S | S | * | * | trans | -62.8 | 122.4 | 176.7 | 25.9 | -30.6 | 0 | 0 | 0 | 109.2 | E880 | P878-E880 PolarHBondContact O-N 2.83Å; P878-E880 VanDerWaalsContact O-N 3.14Å | ||
| 879 | M | 27.2 | Very low | 28.7 | Very low | 167 Ų | 167 | 129 Ų | 129 | 82% | 0.823 | 77% | 0.772 | S | S | * | * | trans | -49.9 | 112.2 | 169 | -76.1 | -89 | -67 | 0 | 0 | 110.5 | L877 | L877-M879 PolarHBondContact O-N 3.49Š| ||
| 880 | E | 28.7 | Very low | 28.5 | Very low | 182 Ų | 182 | 129.5 Ų | 129.5 | 85% | 0.85 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 138.9 | 148.4 | -84.9 | -165.9 | 155.2 | 0 | 0 | 108.3 | P878 | P878-E880 PolarHBondContact O-N 2.83Å; P878-E880 VanDerWaalsContact O-N 3.14Å |
| 881 | P | 30.8 | Very low | 28.2 | Very low | 109 Ų | 109 | 132.1 Ų | 132.1 | 71% | 0.708 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 146.7 | -169 | 29.3 | -33 | 0 | 0 | 0 | 111.6 | L883 | P881-L883 PolarHBondContact O-N 2.83Š|
| 882 | P | 30.1 | Very low | 28.5 | Very low | 107 Ų | 107 | 129.9 Ų | 129.9 | 70% | 0.695 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 125.6 | 176.8 | 29.1 | -31.8 | 0 | 0 | 0 | 109.8 | S884 | P882-S884 PolarHBondContact O-N 2.82Š|
| 883 | L | 27.3 | Very low | 28.4 | Very low | 191 Ų | 191 | 130.7 Ų | 130.7 | 100% | 1 | 78% | 0.776 | S | S | * | * | trans | -72.4 | 83.3 | 164.2 | -78.8 | 164.1 | 0 | 0 | 0 | 108.7 | P881 | P881-L883 PolarHBondContact O-N 2.83Š| ||
| 884 | S | 27.9 | Very low | 28.5 | Very low | 118 Ų | 118 | 129.7 Ų | 129.7 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | trans | -131.7 | 110.6 | 158.8 | -171 | 0 | 0 | 0 | 0 | 106.9 | P882 | P882-S884 PolarHBondContact O-N 2.82Š| ||
| 885 | G | 26.2 | Very low | 28.4 | Very low | 64 Ų | 64 | 132.3 Ų | 132.3 | 66% | 0.66 | 78% | 0.782 | S | S | * | * | trans | -149.3 | 142.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 886 | C | 27.9 | Very low | 28.5 | Very low | 127 Ų | 127 | 135.4 Ų | 135.4 | 86% | 0.858 | 79% | 0.786 | S | S | * | * | trans | 88.3 | 101.5 | -170 | -47.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 887 | L | 27.8 | Very low | 28.3 | Very low | 174 Ų | 174 | 134.4 Ų | 134.4 | 91% | 0.911 | 79% | 0.786 | S | S | * | * | cis | -151.2 | 143.6 | 31.5 | -84.1 | 152.2 | 0 | 0 | 0 | 112.1 | ||||
| 888 | E | 26.9 | Very low | 28.5 | Very low | 162 Ų | 162 | 133.3 Ų | 133.3 | 76% | 0.757 | 79% | 0.788 | S | S | * | * | trans | -65.1 | 167.1 | 177 | -50.3 | 172 | 149.2 | 0 | 0 | 111.9 | ||||
| 889 | Q | 29.9 | Very low | 28.5 | Very low | 162 Ų | 162 | 134.8 Ų | 134.8 | 76% | 0.757 | 79% | 0.787 | S | S | * | * | -178.9 | 147.7 | 65.1 | -124.8 | 159.2 | 41.3 | 0 | 0 | 113.6 | |||||
| 890 | C | 28.1 | Very low | 28.5 | Very low | 118 Ų | 118 | 132.6 Ų | 132.6 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | trans | 85 | 92.1 | 148.8 | -68.6 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 891 | E | 25.4 | Very low | 28.5 | Very low | 169 Ų | 169 | 128.6 Ų | 128.6 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | trans | -9.5 | 176.5 | 130.7 | -75 | -148.5 | 175.7 | 0 | 0 | 121.1 | ||||
| 892 | P | 35 | Very low | 28.5 | Very low | 100 Ų | 100 | 129.8 Ų | 129.8 | 65% | 0.649 | 78% | 0.776 | S | S | * | * | cis | -144.5 | 166.1 | 11 | 17.9 | 10.8 | 0 | 0 | 0 | 119.5 | ||||
| 893 | N | 27.3 | Very low | 28.6 | Very low | 135 Ų | 135 | 132.2 Ų | 132.2 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | trans | 50.9 | 123.4 | 135.6 | -61 | -32.9 | 0 | 0 | 0 | 123.4 | ||||
| 894 | C | 28.4 | Very low | 29.1 | Very low | 117 Ų | 117 | 128 Ų | 128 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | 172.3 | 111.8 | 98.1 | -105.6 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 895 | T | 26.1 | Very low | 29.3 | Very low | 120 Ų | 120 | 128.8 Ų | 128.8 | 74% | 0.736 | 77% | 0.766 | S | S | * | * | trans | 12.9 | 140.7 | 139.1 | 52.7 | 0 | 0 | 0 | 0 | 124 | ||||
| 896 | T | 30.3 | Very low | 29.7 | Very low | 139 Ų | 139 | 131.9 Ų | 131.9 | 85% | 0.853 | 77% | 0.767 | S | S | * | * | trans | 124 | 123.7 | 133.8 | 59 | 0 | 0 | 0 | 0 | 118 | ||||
| 897 | A | 23.3 | Very low | 29.9 | Very low | 94 Ų | 94 | 132.6 Ų | 132.6 | 78% | 0.777 | 76% | 0.762 | S | S | * | * | trans | -81.5 | 167 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 898 | P | 33.5 | Very low | 29.8 | Very low | 122 Ų | 122 | 129 Ų | 129 | 79% | 0.792 | 75% | 0.751 | S | S | * | * | -149.2 | 137.5 | 117.5 | 33.8 | -15.1 | 0 | 0 | 0 | 117.2 | |||||
| 899 | I | 30.7 | Very low | 30 | Very low | 153 Ų | 153 | 126.5 Ų | 126.5 | 79% | 0.785 | 75% | 0.751 | S | S | * | * | 27.2 | 108 | 128.7 | -55.2 | 178.8 | 0 | 0 | 0 | 119.7 | |||||
| 900 | T | 26.6 | Very low | 29.9 | Very low | 121 Ų | 121 | 127.5 Ų | 127.5 | 74% | 0.742 | 76% | 0.756 | S | S | * | * | trans | 24.4 | 136.7 | 136.1 | 64.6 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 901 | S | 29.2 | Very low | 29.9 | Very low | 98 Ų | 98 | 130 Ų | 130 | 69% | 0.685 | 76% | 0.761 | S | S | * | * | 125.3 | 141.5 | 119.8 | 70.4 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 902 | N | 30.7 | Very low | 29.9 | Very low | 135 Ų | 135 | 130.1 Ų | 130.1 | 72% | 0.722 | 76% | 0.761 | S | S | * | * | trans | 103.9 | 100.2 | 161.3 | -55.9 | -26.4 | 0 | 0 | 0 | 115.5 | ||||
| 903 | I | 32.5 | Very low | 29.6 | Very low | 158 Ų | 158 | 132.2 Ų | 132.2 | 81% | 0.81 | 77% | 0.766 | S | S | * | * | 101.4 | 143.9 | 62.7 | -82.5 | 173.7 | 0 | 0 | 0 | 111.1 | |||||
| 904 | P | 36.9 | Very low | 29.6 | Very low | 103 Ų | 103 | 134.2 Ų | 134.2 | 67% | 0.669 | 77% | 0.769 | S | S | * | * | trans | -119.9 | -177.2 | -134.6 | 44 | -32.7 | 0 | 0 | 0 | 113.4 | ||||
| 905 | T | 33.5 | Very low | 29.5 | Very low | 133 Ų | 133 | 133.7 Ų | 133.7 | 82% | 0.816 | 77% | 0.766 | S | S | * | * | trans | 168.5 | 149.2 | 152.7 | 17.9 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 906 | D | 33.3 | Very low | 29.6 | Very low | 129 Ų | 129 | 133.2 Ų | 133.2 | 69% | 0.69 | 77% | 0.768 | S | S | * | * | cis | -174.2 | 153 | -8.2 | -143.6 | 0.6 | 0 | 0 | 0 | 106.7 | ||||
| 907 | L | 31.9 | Very low | 29.3 | Very low | 142 Ų | 142 | 135.8 Ų | 135.8 | 74% | 0.743 | 77% | 0.768 | S | S | * | * | trans | 53.8 | 150.4 | 155.6 | -87.9 | 82.6 | 0 | 0 | 0 | 120.6 | ||||
| 908 | S | 27.2 | Very low | 29.7 | Very low | 99 Ų | 99 | 137.4 Ų | 137.4 | 69% | 0.692 | 77% | 0.77 | S | S | * | * | cis | 177.4 | 158.2 | -19.5 | -104 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 909 | S | 30.1 | Very low | 29.4 | Very low | 109 Ų | 109 | 138.3 Ų | 138.3 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | trans | 83.9 | 111.9 | 156.8 | 69.5 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 910 | Q | 27.3 | Very low | 29.4 | Very low | 184 Ų | 184 | 139.1 Ų | 139.1 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | trans | 56.3 | 121.1 | 130 | -59.6 | -168.8 | -4.2 | 0 | 0 | 119.5 | ||||
| 911 | L | 29.1 | Very low | 29.5 | Very low | 171 Ų | 171 | 142 Ų | 142 | 90% | 0.895 | 78% | 0.777 | S | S | * | * | trans | -176.9 | 136.1 | 130.2 | -96.4 | 149.7 | 0 | 0 | 0 | 111.4 | ||||
| 912 | E | 24 | Very low | 29.5 | Very low | 170 Ų | 170 | 143.4 Ų | 143.4 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | trans | -59.9 | 148.6 | 162.2 | -59 | 172.1 | 145.3 | 0 | 0 | 110.9 | ||||
| 913 | L | 29.9 | Very low | 29.3 | Very low | 145 Ų | 145 | 140.3 Ų | 140.3 | 76% | 0.759 | 79% | 0.786 | S | S | * | * | 163.5 | 136.7 | 129.5 | -106.5 | 100.2 | 0 | 0 | 0 | 112.7 | |||||
| 914 | K | 27.7 | Very low | 29.3 | Very low | 177 Ų | 177 | 139 Ų | 139 | 77% | 0.77 | 79% | 0.786 | S | S | * | * | trans | 16.3 | 131.7 | 138.7 | -64.1 | 178.8 | 175.8 | 175.9 | 0 | 120.6 | ||||
| 915 | S | 26 | Very low | 28.9 | Very low | 105 Ų | 105 | 140.8 Ų | 140.8 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | trans | 66 | 137.6 | 132.8 | 66.4 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 916 | S | 28.5 | Very low | 28.8 | Very low | 110 Ų | 110 | 141.8 Ų | 141.8 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | trans | 109.3 | 130.1 | 145.2 | -38.3 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 917 | F | 24.1 | Very low | 28.8 | Very low | 194 Ų | 194 | 141.1 Ų | 141.1 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | trans | -46.5 | 167.5 | 172.4 | -66.5 | -96.5 | 0 | 0 | 0 | 115.2 | ||||
| 918 | P | 31.1 | Very low | 28.7 | Very low | 128 Ų | 128 | 139.1 Ų | 139.1 | 83% | 0.831 | 80% | 0.8 | S | S | * | * | -145.1 | 163.5 | 93.4 | 31.7 | -11.6 | 0 | 0 | 0 | 116.2 | |||||
| 919 | I | 26.4 | Very low | 28.8 | Very low | 141 Ų | 141 | 141.9 Ų | 141.9 | 72% | 0.723 | 81% | 0.806 | S | S | * | * | trans | -72.3 | 145.3 | 173.1 | -65.3 | 160.4 | 0 | 0 | 0 | 110.1 | ||||
| 920 | D | 31.6 | Very low | 29 | Very low | 169 Ų | 169 | 142.1 Ų | 142.1 | 90% | 0.904 | 81% | 0.805 | S | S | * | * | trans | -150.3 | 137.3 | 145.3 | -109.6 | -18.5 | 0 | 0 | 0 | 111.5 | ||||
| 921 | E | 27.7 | Very low | 29.2 | Very low | 181 Ų | 181 | 140.9 Ų | 140.9 | 85% | 0.846 | 80% | 0.804 | S | S | * | * | trans | -78.6 | 145.4 | -170.3 | -62.1 | 174.5 | 138.2 | 0 | 0 | 113.6 | ||||
| 922 | C | 30.1 | Very low | 29.4 | Very low | 128 Ų | 128 | 138.3 Ų | 138.3 | 87% | 0.865 | 80% | 0.797 | S | S | * | * | trans | -159.1 | 114.5 | 142.3 | -164.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 923 | G | 27.3 | Very low | 29.6 | Very low | 70 Ų | 70 | 136.1 Ų | 136.1 | 72% | 0.722 | 80% | 0.795 | S | S | * | * | trans | -78.3 | 140.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 924 | T | 30.7 | Very low | 29.7 | Very low | 132 Ų | 132 | 133.9 Ų | 133.9 | 81% | 0.81 | 79% | 0.79 | S | S | * | * | trans | -154.7 | 128 | 150.1 | -0.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 925 | T | 28.6 | Very low | 29.7 | Very low | 139 Ų | 139 | 133.1 Ų | 133.1 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | trans | -49 | 127 | 175.6 | 35.2 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 926 | I | 32 | Very low | 29.9 | Very low | 155 Ų | 155 | 134.4 Ų | 134.4 | 80% | 0.795 | 79% | 0.791 | S | S | * | * | trans | -118.7 | 121.3 | 164.2 | -58.7 | 177.8 | 0 | 0 | 0 | 106.9 | ||||
| 927 | P | 32.5 | Very low | 30 | Very low | 115 Ų | 115 | 134.4 Ų | 134.4 | 75% | 0.747 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 153.9 | 176.5 | 29.3 | -30.9 | 0 | 0 | 0 | 110.9 | L929 | P927-L929 PolarHBondContact O-N 2.93Š|
| 928 | A | 30.3 | Very low | 30.2 | Very low | 99 Ų | 99 | 131.9 Ų | 131.9 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -52 | 131.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 929 | L | 30.4 | Very low | 30.2 | Very low | 157 Ų | 157 | 131 Ų | 131 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 133.9 | 164.3 | -92.2 | 107.7 | 0 | 0 | 0 | 109 | P927 L931 | P927-L929 PolarHBondContact O-N 2.93Å; L929-L931 PolarHBondContact O-N 3.22Å |
| 930 | P | 34.6 | Very low | 30.4 | Very low | 114 Ų | 114 | 128.4 Ų | 128.4 | 74% | 0.74 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 132.2 | 168.6 | 20.9 | -16.7 | 0 | 0 | 0 | 108.9 | ||
| 931 | L | 31.2 | Very low | 30.5 | Very low | 159 Ų | 159 | 125.8 Ų | 125.8 | 83% | 0.832 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 134.5 | 168.4 | -131.9 | 83 | 0 | 0 | 0 | 108.8 | L929 T933 | L929-L931 PolarHBondContact O-N 3.22Å; L931-T933 PolarHBondContact O-N 2.88Å |
| 932 | P | 32.2 | Very low | 30.7 | Very low | 117 Ų | 117 | 123 Ų | 123 | 76% | 0.76 | 77% | 0.765 | S | S | * | * | trans | -64.4 | 115.5 | 173.9 | 25.6 | -29.9 | 0 | 0 | 0 | 108.4 | ||||
| 933 | T | 29.6 | Very low | 30.9 | Very low | 123 Ų | 123 | 122.2 Ų | 122.2 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | trans | -57.1 | 128.8 | 167.6 | -29 | 0 | 0 | 0 | 0 | 107.5 | L931 I935 | L931-T933 PolarHBondContact O-N 2.88Å; T933-I935 PolarHBondContact O-N 2.8Å | ||
| 934 | P | 31.2 | Very low | 31.4 | Very low | 99 Ų | 99 | 124.4 Ų | 124.4 | 64% | 0.643 | 76% | 0.762 | S | S | * | * | trans | -66.5 | 113.2 | 175.1 | 25.8 | -29.3 | 0 | 0 | 0 | 107.8 | L936 | P934-L936 PolarHBondContact O-N 2.91Å; P934-L936 VanDerWaalsContact O-N 3.16Å | ||
| 935 | I | 28.4 | Very low | 31.6 | Very low | 160 Ų | 160 | 124.2 Ų | 124.2 | 82% | 0.821 | 76% | 0.764 | S | S | * | * | trans | -61.7 | 113.6 | 168.6 | -65 | 171.3 | 0 | 0 | 0 | 106.5 | T933 P937 | T933-I935 PolarHBondContact O-N 2.8Å; I935-P937 WeakPolarHBondContact O-CD 3.46Å | ||
| 936 | L | 28.9 | Very low | 31.8 | Very low | 133 Ų | 133 | 123.5 Ų | 123.5 | 70% | 0.696 | 76% | 0.764 | S | S | * | * | trans | -51.2 | 125.5 | 164.7 | -102.8 | 94 | 0 | 0 | 0 | 108.8 | P934 D938 | P934-L936 PolarHBondContact O-N 2.91Å; P934-L936 VanDerWaalsContact O-N 3.16Å; L936-D938 VanDerWaalsContact C-N 3.28Å; L936-D938 PolarHBondContact O-N 3.21Å; L936-D938 VanDerWaalsContact O-N 3.13Å | ||
| 937 | P | 31.3 | Very low | 31.6 | Very low | 110 Ų | 110 | 119.4 Ų | 119.4 | 71% | 0.714 | 76% | 0.76 | S | S | * | * | trans | -77.7 | 92.6 | 152.9 | 30.4 | -23.9 | 0 | 0 | 0 | 106.7 | I935 T939 | I935-P937 WeakPolarHBondContact O-CD 3.46Å; P937-T939 VanDerWaalsContact C-N 3.26Å; P937-T939 PolarHBondContact O-N 2.92Å | ||
| 938 | D | 28.3 | Very low | 31.5 | Very low | 141 Ų | 141 | 120.5 Ų | 120.5 | 75% | 0.754 | 77% | 0.765 | S | S | * | * | trans | -69.7 | 85.2 | 170.5 | -140.8 | 6.4 | 0 | 0 | 0 | 107.8 | L936 | L936-D938 VanDerWaalsContact C-N 3.28Å; L936-D938 PolarHBondContact O-N 3.21Å; L936-D938 VanDerWaalsContact O-N 3.13Å | ||
| 939 | T | 30.9 | Very low | 31.3 | Very low | 110 Ų | 110 | 123.1 Ų | 123.1 | 68% | 0.675 | 76% | 0.763 | S | S | * | * | trans | -133.4 | 62.5 | 175.3 | 62.5 | 0 | 0 | 0 | 0 | 111.1 | P937 | P937-T939 VanDerWaalsContact C-N 3.26Å; P937-T939 PolarHBondContact O-N 2.92Å | ||
| 940 | A | 29.9 | Very low | 31.3 | Very low | 86 Ų | 86 | 122 Ų | 122 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 124.8 | 149 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||
| 941 | P | 35 | Very low | 31 | Very low | 113 Ų | 113 | 121.1 Ų | 121.1 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 140 | 172.2 | 27.7 | -30.7 | 0 | 0 | 0 | 108.8 | S943 | P941-S943 PolarHBondContact O-N 2.86Š|
| 942 | P | 32.4 | Very low | 30.9 | Very low | 124 Ų | 124 | 119.8 Ų | 119.8 | 81% | 0.805 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 130.7 | 177.8 | 25.7 | -31.7 | 0 | 0 | 0 | 109.9 | ||
| 943 | S | 33.9 | Very low | 30.8 | Very low | 111 Ų | 111 | 119.3 Ų | 119.3 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 135.6 | 171.4 | -57 | 0 | 0 | 0 | 0 | 110.6 | P941 | P941-S943 PolarHBondContact O-N 2.86Š|
| 944 | P | 38 | Very low | 30.8 | Very low | 115 Ų | 115 | 120.5 Ų | 120.5 | 75% | 0.747 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 142.2 | 177 | 28.8 | -32 | 0 | 0 | 0 | 110.2 | ||
| 945 | P | 34.2 | Very low | 30.6 | Very low | 129 Ų | 129 | 121.9 Ų | 121.9 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 138.6 | 178.4 | 27.5 | -31.9 | 0 | 0 | 0 | 111.5 | ||
| 946 | S | 32.3 | Very low | 30.7 | Very low | 124 Ų | 124 | 119.4 Ų | 119.4 | 87% | 0.867 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 124.8 | 178.1 | -56.6 | 0 | 0 | 0 | 0 | 113.1 | ||
| 947 | G | 28.6 | Very low | 30.5 | Very low | 68 Ų | 68 | 121.8 Ų | 121.8 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | trans | 68.3 | 124.7 | 145 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 948 | T | 30 | Very low | 30.4 | Very low | 138 Ų | 138 | 123.5 Ų | 123.5 | 85% | 0.847 | 79% | 0.788 | S | S | * | * | 179.2 | 124.4 | 105.6 | -60.7 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 949 | I | 26.3 | Very low | 30.1 | Very low | 155 Ų | 155 | 123.3 Ų | 123.3 | 80% | 0.795 | 80% | 0.795 | S | S | * | * | trans | -14 | 127.5 | 159.1 | -58.4 | 162.6 | 0 | 0 | 0 | 117 | ||||
| 950 | C | 29.6 | Very low | 30 | Very low | 133 Ų | 133 | 123.9 Ų | 123.9 | 90% | 0.899 | 80% | 0.804 | S | S | * | * | trans | -167 | 150.6 | 130.9 | -99.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 951 | A | 28.9 | Very low | 30 | Very low | 95 Ų | 95 | 124.9 Ų | 124.9 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | trans | -83 | 172.1 | -156.5 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 952 | P | 29.4 | Very low | 29.4 | Very low | 132 Ų | 132 | 125 Ų | 125 | 86% | 0.857 | 81% | 0.809 | S | S | * | * | trans | -94.8 | 155.1 | -164.2 | 37.1 | -31.5 | 0 | 0 | 0 | 114.2 | ||||
| 953 | S | 29.2 | Very low | 29.3 | Very low | 106 Ų | 106 | 125 Ų | 125 | 74% | 0.741 | 81% | 0.809 | S | S | * | * | trans | -143 | 115.2 | 168.8 | -166.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 954 | L | 30.4 | Very low | 28.8 | Very low | 148 Ų | 148 | 124.4 Ų | 124.4 | 78% | 0.775 | 81% | 0.811 | S | S | * | * | trans | 27.4 | 115.8 | 144.1 | -66.6 | 123.4 | 0 | 0 | 0 | 123.3 | ||||
| 955 | V | 27.2 | Very low | 28.4 | Very low | 128 Ų | 128 | 125.7 Ų | 125.7 | 78% | 0.776 | 82% | 0.817 | S | S | * | * | 51.6 | 152.9 | 111.9 | -174.8 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 956 | P | 30 | Very low | 28 | Very low | 109 Ų | 109 | 125.3 Ų | 125.3 | 71% | 0.708 | 81% | 0.813 | S | S | * | * | cis | -134.2 | 176.4 | -14.7 | 30.6 | -8.6 | 0 | 0 | 0 | 117.1 | ||||
| 957 | E | 24.6 | Very low | 27.7 | Very low | 183 Ų | 183 | 126.9 Ų | 126.9 | 86% | 0.855 | 81% | 0.811 | S | S | * | * | trans | -8.9 | 134.5 | 153.1 | -58.8 | 177 | 162.6 | 0 | 0 | 120.9 | ||||
| 958 | T | 29 | Very low | 27.6 | Very low | 146 Ų | 146 | 128.5 Ų | 128.5 | 90% | 0.896 | 81% | 0.812 | S | S | * | * | trans | -153.2 | 127.7 | 139.9 | 35.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 959 | C | 22.5 | Very low | 27.3 | Very low | 136 Ų | 136 | 129 Ų | 129 | 92% | 0.919 | 81% | 0.814 | S | S | * | * | trans | -78 | 141.9 | 166.8 | -65.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 960 | S | 28.1 | Very low | 27.3 | Very low | 122 Ų | 122 | 128.3 Ų | 128.3 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | trans | -149.6 | 136.6 | 156.7 | -178.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 961 | S | 31 | Very low | 27.1 | Very low | 108 Ų | 108 | 125.8 Ų | 125.8 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | trans | -75.6 | 155.4 | -168.4 | 45.8 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 962 | S | 22.1 | Very low | 27 | Very low | 114 Ų | 114 | 132.6 Ų | 132.6 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | trans | -55.8 | 171.6 | 169.9 | -39.5 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 963 | P | 29.7 | Very low | 26.8 | Very low | 125 Ų | 125 | 132.7 Ų | 132.7 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | trans | -125.2 | 141.9 | 135.8 | 34.3 | -23.2 | 0 | 0 | 0 | 112.7 | ||||
| 964 | A | 24.5 | Very low | 26.6 | Very low | 99 Ų | 99 | 135.6 Ų | 135.6 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | -75.4 | 137.4 | 171 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 965 | T | 28.7 | Very low | 26.3 | Very low | 141 Ų | 141 | 135.8 Ų | 135.8 | 87% | 0.865 | 81% | 0.805 | S | S | * | * | trans | -138.4 | 126.3 | 156.1 | 34.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 966 | T | 26.4 | Very low | 26.4 | Very low | 121 Ų | 121 | 135.5 Ų | 135.5 | 74% | 0.742 | 80% | 0.803 | S | S | * | * | trans | -64.8 | 152.1 | 178.3 | 43.6 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 967 | N | 25.8 | Very low | 26.1 | Very low | 158 Ų | 158 | 135.1 Ų | 135.1 | 85% | 0.845 | 81% | 0.809 | S | S | * | * | trans | 111 | 125.7 | 154.1 | -61.3 | -22.7 | 0 | 0 | 0 | 118.1 | ||||
| 968 | S | 26.3 | Very low | 26.4 | Very low | 101 Ų | 101 | 129.6 Ų | 129.6 | 71% | 0.706 | 80% | 0.802 | S | S | * | * | trans | 77.6 | 89.6 | 166.2 | -156.3 | 0 | 0 | 0 | 0 | 118 | I970 | S968-I970 PolarHBondContact O-N 2.76Š| ||
| 969 | V | 24.5 | Very low | 26.4 | Very low | 148 Ų | 148 | 124.7 Ų | 124.7 | 90% | 0.897 | 78% | 0.78 | S | S | * | * | trans | -76.5 | 98.6 | 164.7 | 177.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 970 | I | 26.1 | Very low | 26.8 | Very low | 141 Ų | 141 | 122 Ų | 122 | 72% | 0.723 | 76% | 0.761 | S | S | * | * | trans | -92.3 | 115.6 | 161.7 | -64.6 | 175.1 | 0 | 0 | 0 | 106.4 | S968 R972 | S968-I970 PolarHBondContact O-N 2.76Å; I970-R972 PolarHBondContact O-N 3.45Å; I970-R972 VanDerWaalsContact O-N 3.15Å | ||
| 971 | A | 25.7 | Very low | 27 | Very low | 81 Ų | 81 | 123.4 Ų | 123.4 | 67% | 0.669 | 75% | 0.754 | S | S | * | * | trans | -60.3 | 112.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 972 | R | 25.3 | Very low | 26.9 | Very low | 238 Ų | 238 | 120.6 Ų | 120.6 | 90% | 0.898 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 120.4 | 166.3 | -95.8 | -179.2 | 171.4 | 161.2 | -3.3 | 108.5 | I970 | I970-R972 PolarHBondContact O-N 3.45Å; I970-R972 VanDerWaalsContact O-N 3.15Å |
| 973 | N | 26 | Very low | 27.3 | Very low | 134 Ų | 134 | 119.1 Ų | 119.1 | 72% | 0.717 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 127.5 | 177.1 | -66.1 | -30 | 0 | 0 | 0 | 111.1 | ||
| 974 | L | 25.1 | Very low | 27.5 | Very low | 166 Ų | 166 | 117.9 Ų | 117.9 | 87% | 0.869 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 116.3 | 162.5 | -106.3 | 92.8 | 0 | 0 | 0 | 108.1 | ||
| 975 | I | 24.6 | Very low | 28 | Very low | 152 Ų | 152 | 116.4 Ų | 116.4 | 78% | 0.779 | 69% | 0.687 | S | S | * | * | trans | -92 | 113.5 | 171.2 | -62.1 | 172.9 | 0 | 0 | 0 | 106.7 | ||||
| 976 | V | 27.5 | Very low | 28 | Very low | 123 Ų | 123 | 111.2 Ų | 111.2 | 75% | 0.745 | 66% | 0.658 | S | S | * | * | trans | -89.8 | 118.1 | 170.6 | 175.8 | 0 | 0 | 0 | 0 | 107.7 | G978 | V976-G978 PolarHBondContact O-N 3.26Š| ||
| 977 | A | 25.8 | Very low | 28.3 | Very low | 100 Ų | 100 | 106.6 Ų | 106.6 | 83% | 0.826 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -68 | 116.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 978 | G | 29.8 | Very low | 28.9 | Very low | 68 Ų | 68 | 101.2 Ų | 101.2 | 70% | 0.701 | 60% | 0.602 | S | S | * | * | trans | 152.9 | 74.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | V976 | V976-G978 PolarHBondContact O-N 3.26Š| ||
| 979 | G | 28.4 | Very low | 29.5 | Very low | 43 Ų | 43 | 99.9 Ų | 99.9 | 44% | 0.443 | 60% | 0.597 | S | S | . | * | trans | -59.5 | 144.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | E981 A982 | G979-E981 PolarHBondContact O-N 3.26Å; G979-A982 PolarHBondContact O-N 3.2Å | ||
| 980 | P | 31.8 | Very low | 30.5 | Very low | 80 Ų | 80 | 94 Ų | 94 | 52% | 0.519 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -60.1 | -11.6 | 177.7 | 21.4 | -30.5 | 0 | 0 | 0 | 114.5 | L873 A982 L983 H984 | L873-P980 HydrophobicContact CD1-CG 3.49Å; L873-P980 VanDerWaalsContact CD1-CG 3.49Å; P980-A982 VanDerWaalsContact C-N 3.34Å; P980-A982 PolarHBondContact O-N 3.42Å; P980-L983 PolarHBondContact O-N 3.03Å; P980-H984 PolarHBondContact O-N 3.43Å |
| 981 | E | 31.3 | Very low | 31.7 | Very low | 150 Ų | 150 | 90.1 Ų | 90.1 | 70% | 0.701 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.4 | -34.2 | 176.4 | -64.6 | 170.5 | 169.6 | 0 | 0 | 113.2 | G979 H984 S985 | G979-E981 PolarHBondContact O-N 3.26Å; E981-H984 PolarHBondContact O-N 2.88Å; E981-S985 WeakPolarHBondContact O-CB 3.36Å; E981-S985 PolarHBondContact O-N 3.07Å; E981-S985 PolarHBondContact O-OG 3.13Å |
| 982 | A | 30 | Very low | 32.8 | Very low | 49 Ų | 49 | 86.5 Ų | 86.5 | 41% | 0.405 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -70.1 | -38.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | I591 G979 P980 A986 | I591-A982 HydrophobicContact CD1-CB 4.38Å; G979-A982 PolarHBondContact O-N 3.2Å; P980-A982 VanDerWaalsContact C-N 3.34Å; P980-A982 PolarHBondContact O-N 3.42Å; A982-A986 WeakPolarHBondContact O-CB 3.43Å; A982-A986 PolarHBondContact O-N 3.28Å; A982-A986 VanDerWaalsContact O-N 3.16Å |
| 983 | L | 30.9 | Very low | 34.4 | Very low | 83 Ų | 83 | 76.2 Ų | 76.2 | 44% | 0.435 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -68.8 | -39.7 | 176.2 | -155.5 | 81.5 | 0 | 0 | 0 | 110.8 | P980 L987 | P980-L983 PolarHBondContact O-N 3.03Å; L983-L987 HydrophobicContact CD2-CD1 4.41Å; L983-L987 HydrophobicContact CG-CD1 4.08Å; L983-L987 WeakPolarHBondContact O-CB 3.29Å; L983-L987 WeakPolarHBondContact O-CG 3.37Å; L983-L987 PolarHBondContact O-N 3.31Å |
| 984 | H | 33.5 | Very low | 36 | Very low | 99 Ų | 99 | 70.7 Ų | 70.7 | 46% | 0.458 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.2 | -48.6 | 177.7 | -164.5 | 88.5 | 0 | 0 | 0 | 111.3 | P980 E981 A986 L987 T988 L1015 | P980-H984 PolarHBondContact O-N 3.43Å; E981-H984 PolarHBondContact O-N 2.88Å; H984-A986 PolarHBondContact O-N 3.33Å; H984-L987 PolarHBondContact O-N 3.11Å; H984-T988 WeakPolarHBondContact O-CG2 3.35Å; H984-T988 PolarHBondContact O-N 2.93Å; H984-T988 VanDerWaalsContact O-N 3.1Å; H984-T988 PolarHBondContact O-OG1 3.22Å; H984-L1015 HydrophobicContact CB-CD2 4.33Å; H984-L1015 VanDerWaalsContact ND1-CD2 3.34Å; H984-L1015 WeakPolarHBondContact ND1-CD2 3.39Å |
| 985 | S | 33.8 | Very low | 37.9 | Very low | 69 Ų | 69 | 63.9 Ų | 63.9 | 48% | 0.483 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63.4 | -43.2 | -179.4 | -57.6 | 0 | 0 | 0 | 0 | 112.7 | E981 L987 T988 | E981-S985 WeakPolarHBondContact O-CB 3.36Å; E981-S985 PolarHBondContact O-N 3.07Å; E981-S985 PolarHBondContact O-OG 3.13Å; S985-L987 PolarHBondContact O-N 3.26Å; S985-T988 WeakPolarHBondContact CA-OG1 3.47Å; S985-T988 PolarHBondContact O-N 3.02Å; S985-T988 PolarHBondContact O-OG1 2.86Å |
| 986 | A | 30 | Very low | 39.7 | Very low | 31 Ų | 31 | 57.5 Ų | 57.5 | 26% | 0.256 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.7 | -32.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | I591 A982 H984 | I591-A986 HydrophobicContact CG2-CB 3.91Å; A982-A986 WeakPolarHBondContact O-CB 3.43Å; A982-A986 PolarHBondContact O-N 3.28Å; A982-A986 VanDerWaalsContact O-N 3.16Å; H984-A986 PolarHBondContact O-N 3.33Å |
| 987 | L | 33.2 | Very low | 41.5 | Very low | 24 Ų | 24 | 51.9 Ų | 51.9 | 13% | 0.126 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -91.5 | -4.9 | -177.6 | -72.7 | 172 | 0 | 0 | 0 | 113.6 | L983 H984 S985 I994 L1015 N1017 | L983-L987 HydrophobicContact CD2-CD1 4.41Å; L983-L987 HydrophobicContact CG-CD1 4.08Å; L983-L987 WeakPolarHBondContact O-CB 3.29Å; L983-L987 WeakPolarHBondContact O-CG 3.37Å; L983-L987 PolarHBondContact O-N 3.31Å; H984-L987 PolarHBondContact O-N 3.11Å; S985-L987 PolarHBondContact O-N 3.26Å; L987-I994 HydrophobicContact CD2-CD1 4.19Å; L987-L1015 HydrophobicContact CB-CB 4.22Å; L987-L1015 HydrophobicContact CB-CD1 3.83Å; L987-L1015 HydrophobicContact CB-CD2 3.8Å; L987-L1015 HydrophobicContact CB-CG 4.14Å; L987-L1015 HydrophobicContact CD1-CB 4.33Å; L987-L1015 HydrophobicContact CD1-CD1 3.31Å; L987-L1015 HydrophobicContact CD1-CG 4.3Å; L987-L1015 HydrophobicContact CG-CD1 4.17Å; L987-N1017 VanDerWaalsContact C-ND2 3.3Å; L987-N1017 PolarHBondContact O-ND2 3.03Å |
| 988 | T | 37.6 | Very low | 43.6 | Very low | 45 Ų | 45 | 47.6 Ų | 47.6 | 28% | 0.276 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 4.3 | 172.6 | 47.6 | 0 | 0 | 0 | 0 | 115.2 | H984 S985 L1015 N1017 N1019 | H984-T988 WeakPolarHBondContact O-CG2 3.35Å; H984-T988 PolarHBondContact O-N 2.93Å; H984-T988 VanDerWaalsContact O-N 3.1Å; H984-T988 PolarHBondContact O-OG1 3.22Å; S985-T988 WeakPolarHBondContact CA-OG1 3.47Å; S985-T988 PolarHBondContact O-N 3.02Å; S985-T988 PolarHBondContact O-OG1 2.86Å; T988-L1015 HydrophobicContact CG2-CD2 4.12Å; T988-N1017 VanDerWaalsContact C-CG 3.4Å; T988-N1017 WeakPolarHBondContact CA-ND2 3.4Å; T988-N1017 PolarHBondContact O-ND2 3.47Å; T988-N1017 PolarHBondContact O-OD1 3.43Å; T988-N1019 PolarHBondContact O-ND2 2.95Å |
| 989 | A | 37.8 | Very low | 45.5 | Very low | 73 Ų | 73 | 45.7 Ų | 45.7 | 60% | 0.603 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -116.1 | 14.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | N1017 | A989-N1017 PolarHBondContact N-ND2 2.9Š|
| 990 | H | 47.1 | Very low | 47.1 | Very low | 26 Ų | 26 | 45.3 Ų | 45.3 | 12% | 0.12 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -127.4 | 138.5 | -168.2 | -163.4 | -81 | 0 | 0 | 0 | 112.2 | A992 N1017 R1037 | H990-A992 PolarHBondContact ND1-N 3.45Å; H990-A992 PolarHBondContact O-N 2.91Å; H990-N1017 PolarHBondContact N-ND2 3.43Å; H990-N1017 WeakPolarHBondContact O-CB 3.14Å; H990-N1017 PolarHBondContact O-ND2 3.28Å; H990-R1037 PolarHBondContact CD2-NH1 3.25Å; H990-R1037 PolarHBondContact CD2-NH2 3.45Å |
| 991 | P | 50.2 | Low | 48.1 | Very low | 58 Ų | 58 | 43.6 Ų | 43.6 | 38% | 0.377 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -70 | 8.2 | -175.3 | 27.7 | -37.2 | 0 | 0 | 0 | 116.3 | A750 L1030 | A750-P991 WeakPolarHBondContact CB-O 3.41Å; P991-L1030 HydrophobicContact CG-CD2 4.49Å |
| 992 | A | 50.2 | Low | 48.8 | Very low | 5 Ų | 5 | 38.4 Ų | 38.4 | 4% | 0.041 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -114.3 | 147.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | A747 H990 V1034 | A747-A992 WeakPolarHBondContact O-CA 3.33Å; A747-A992 WeakPolarHBondContact O-CB 3.49Å; H990-A992 PolarHBondContact ND1-N 3.45Å; H990-A992 PolarHBondContact O-N 2.91Å; A992-V1034 HydrophobicContact CB-CB 4.27Å; A992-V1034 HydrophobicContact CB-CG1 3.79Å; A992-V1034 HydrophobicContact CB-CG2 3.39Å |
| 993 | I | 58.3 | Low | 49.6 | Very low | 23 Ų | 23 | 39.6 Ų | 39.6 | 12% | 0.118 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 129.9 | 176.6 | -56.4 | 171.4 | 0 | 0 | 0 | 108.5 | F702 S746 A747 A750 W753 | F702-I993 HydrophobicContact CE1-CB 4.04Å; F702-I993 HydrophobicContact CE1-CG2 3.64Å; F702-I993 HydrophobicContact CZ-CB 4.47Å; F702-I993 HydrophobicContact CZ-CG2 3.63Å; S746-I993 CarbonylContact C-O 3.55Å; S746-I993 WeakPolarHBondContact CA-O 3.34Å; S746-I993 VanDerWaalsContact CB-O 3.31Å; S746-I993 WeakPolarHBondContact CB-O 3.4Å; A747-I993 HydrophobicContact CB-CB 4.49Å; A747-I993 PolarHBondContact N-O 2.96Å; A747-I993 PolarHBondContact O-N 2.69Å; A747-I993 VanDerWaalsContact O-N 3.14Å; A750-I993 HydrophobicContact CB-CD1 4.09Å; A750-I993 HydrophobicContact CB-CG1 3.95Å; W753-I993 HydrophobicContact CD2-CD1 4.02Å; W753-I993 HydrophobicContact CE3-CD1 3.31Å; W753-I993 HydrophobicContact CH2-CD1 3.98Å; W753-I993 HydrophobicContact CZ3-CD1 3.29Å |
| 994 | I | 58.6 | Low | 50 | Low | 17 Ų | 17 | 41.9 Ų | 41.9 | 9% | 0.087 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 128.3 | -178.2 | -59.3 | -179.4 | 0 | 0 | 0 | 108.3 | L987 I996 V1034 R1037 L1038 | L987-I994 HydrophobicContact CD2-CD1 4.19Å; I994-I996 HydrophobicContact CG2-CG1 4.49Å; I994-V1034 HydrophobicContact CD1-CG1 4.5Å; I994-V1034 HydrophobicContact CG1-CG1 4.43Å; I994-R1037 HydrophobicContact CD1-CB 3.92Å; I994-L1038 HydrophobicContact CG2-CB 4.17Å; I994-L1038 HydrophobicContact CG2-CD1 3.47Å; I994-L1038 VanDerWaalsContact CG2-CD1 3.47Å; I994-L1038 HydrophobicContact CG2-CG 4.41Å |
| 995 | W | 65 | Low | 50.1 | Low | 23 Ų | 23 | 42.9 Ų | 42.9 | 9% | 0.087 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 128.8 | 177.5 | -177.9 | 19.9 | 0 | 0 | 0 | 111.2 | F671 Y698 L699 F702 G744 V745 E997 | F671-W995 HydrophobicContact CD2-CH2 4.1Å; F671-W995 AromaticContact CD2-CZ2 3.98Å; F671-W995 HydrophobicContact CD2-CZ2 3.98Å; F671-W995 HydrophobicContact CE1-CH2 4.19Å; F671-W995 AromaticContact CE2-CH2 3.41Å; F671-W995 HydrophobicContact CE2-CH2 3.41Å; F671-W995 VanDerWaalsContact CE2-CH2 3.41Å; F671-W995 AromaticContact CE2-CZ2 3.26Å; F671-W995 HydrophobicContact CE2-CZ2 3.26Å; F671-W995 AromaticContact CZ-CH2 3.45Å; F671-W995 HydrophobicContact CZ-CH2 3.45Å; F671-W995 VanDerWaalsContact CZ-CH2 3.45Å; F671-W995 AromaticContact CZ-CZ2 3.74Å; F671-W995 HydrophobicContact CZ-CZ2 3.74Å; Y698-W995 VanDerWaalsContact CB-CZ3 3.5Å; Y698-W995 HydrophobicContact CD1-CH2 4.48Å; Y698-W995 HydrophobicContact CG-CH2 4.12Å; Y698-W995 WeakPolarHBondContact O-CZ3 3.27Å; L699-W995 HydrophobicContact CD2-CD2 4.48Å; L699-W995 HydrophobicContact CD2-CE3 3.71Å; L699-W995 HydrophobicContact CD2-CH2 3.77Å; L699-W995 HydrophobicContact CD2-CZ3 3.28Å; L699-W995 HydrophobicContact CG-CH2 4.37Å; L699-W995 HydrophobicContact CG-CZ3 4.08Å; F702-W995 AromaticContact CE2-CE3 3.95Å; F702-W995 HydrophobicContact CE2-CE3 3.95Å; F702-W995 HydrophobicContact CE2-CZ3 4.42Å; G744-W995 CarbonylContact C-O 3.22Å; G744-W995 VanDerWaalsContact CA-O 3.27Å; G744-W995 WeakPolarHBondContact CA-O 3.49Å; V745-W995 HydrophobicContact CG2-CB 3.74Å; V745-W995 HydrophobicContact CG2-CD2 4.37Å; V745-W995 HydrophobicContact CG2-CE3 3.94Å; V745-W995 HydrophobicContact CG2-CG 4.34Å; V745-W995 PolarHBondContact N-O 3.1Å; V745-W995 PolarHBondContact O-N 2.95Å; W995-E997 HydrophobicContact CZ2-CG 4.39Å; W995-E997 PolarHBondContact NE1-OE1 3.06Å |
| 996 | I | 62.1 | Low | 50 | Low | 18 Ų | 18 | 42.6 Ų | 42.6 | 9% | 0.092 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 135.4 | -179.2 | -55.4 | 179.6 | 0 | 0 | 0 | 109.4 | F743 I994 F998 L1038 C1041 L1042 | F743-I996 WeakPolarHBondContact O-CA 3.31Å; I994-I996 HydrophobicContact CG2-CG1 4.49Å; I996-F998 HydrophobicContact CG2-CD2 3.87Å; I996-F998 HydrophobicContact CG2-CE2 3.35Å; I996-F998 HydrophobicContact CG2-CZ 4.27Å; I996-L1038 HydrophobicContact CD1-CD1 3.75Å; I996-L1038 WeakPolarHBondContact CD1-O 3.08Å; I996-L1038 HydrophobicContact CG1-CD1 3.54Å; I996-C1041 HydrophobicContact CD1-CB 3.28Å; I996-L1042 HydrophobicContact CD1-CB 4.22Å |
| 997 | E | 66.7 | Low | 50 | Low | 5 Ų | 5 | 47.4 Ų | 47.4 | 2% | 0.023 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 144.2 | 178.8 | -74.7 | -71.4 | -175.8 | 0 | 0 | 110.7 | L674 R678 G742 F743 W995 | L674-E997 HydrophobicContact CD1-CB 4.18Å; R678-E997 IonicContact CZ-OE1 2.76Å; R678-E997 IonicContact CZ-OE2 3.44Å; R678-E997 VanDerWaalsContact NH1-CD 3.34Å; R678-E997 IonicContact NH1-OE1 2.74Å; R678-E997 PolarHBondContact NH1-OE1 2.85Å; R678-E997 IonicContact NH1-OE2 3.89Å; R678-E997 PolarHBondContact NH1-OE2 3.09Å; R678-E997 IonicContact NH2-OE1 3.91Å; R678-E997 IonicContact NH2-OE2 3.61Å; R678-E997 PolarHBondContact NH2-OE2 3.11Å; G742-E997 CarbonylContact C-O 3.31Å; G742-E997 WeakPolarHBondContact CA-O 3.31Å; F743-E997 HydrophobicContact CD1-CB 4.33Å; F743-E997 HydrophobicContact CD2-CB 4.43Å; F743-E997 HydrophobicContact CE1-CB 3.75Å; F743-E997 HydrophobicContact CE1-CG 4.5Å; F743-E997 HydrophobicContact CE2-CB 3.85Å; F743-E997 HydrophobicContact CE2-CG 4.06Å; F743-E997 HydrophobicContact CZ-CB 3.48Å; F743-E997 VanDerWaalsContact CZ-CB 3.48Å; F743-E997 HydrophobicContact CZ-CG 3.79Å; F743-E997 PolarHBondContact N-O 3.3Å; F743-E997 PolarHBondContact O-N 3.08Å; W995-E997 HydrophobicContact CZ2-CG 4.39Å; W995-E997 PolarHBondContact NE1-OE1 3.06Å |
| 998 | F | 68.6 | Low | 49.8 | Very low | 11 Ų | 11 | 52 Ų | 52 | 5% | 0.048 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 152.2 | 178.3 | -75.6 | -83.3 | 0 | 0 | 0 | 110.2 | L674 V713 F718 V741 I996 D1000 L1042 A1045 L1046 | L674-F998 WeakPolarHBondContact CD1-O 3.47Å; L674-F998 WeakPolarHBondContact CD2-O 3.29Å; V713-F998 HydrophobicContact CB-CE1 4.15Å; V713-F998 HydrophobicContact CG1-CE1 4.09Å; V713-F998 HydrophobicContact CG2-CE1 3.81Å; V713-F998 HydrophobicContact CG2-CZ 4.13Å; F718-F998 HydrophobicContact CE2-CB 3.9Å; F718-F998 AromaticContact CE2-CD1 3.81Å; F718-F998 HydrophobicContact CE2-CD1 3.81Å; F718-F998 HydrophobicContact CE2-CG 4.3Å; F718-F998 HydrophobicContact CZ-CB 4.43Å; F718-F998 AromaticContact CZ-CD1 3.53Å; F718-F998 HydrophobicContact CZ-CD1 3.53Å; F718-F998 HydrophobicContact CZ-CE1 4.17Å; F718-F998 HydrophobicContact CZ-CG 4.35Å; V741-F998 CarbonylContact O-C 3.27Å; V741-F998 WeakPolarHBondContact O-CA 3.37Å; I996-F998 HydrophobicContact CG2-CD2 3.87Å; I996-F998 HydrophobicContact CG2-CE2 3.35Å; I996-F998 HydrophobicContact CG2-CZ 4.27Å; F998-D1000 VanDerWaalsContact C-N 3.32Å; F998-D1000 PolarHBondContact O-N 2.8Å; F998-L1042 HydrophobicContact CZ-CG 4.19Å; F998-A1045 HydrophobicContact CD2-CB 3.69Å; F998-A1045 HydrophobicContact CE2-CB 3.14Å; F998-A1045 HydrophobicContact CZ-CB 3.81Å; F998-L1046 HydrophobicContact CE1-CD2 3.9Å; F998-L1046 HydrophobicContact CE1-CG 4.12Å; F998-L1046 HydrophobicContact CZ-CD2 4.42Å; F998-L1046 HydrophobicContact CZ-CG 4.14Å |
| 999 | D | 69.8 | Low | 49.4 | Very low | 28 Ų | 28 | 51.5 Ų | 51.5 | 15% | 0.15 | 32% | 0.32 | C | S | . | . | trans | -72 | 77.8 | 178.9 | -165.4 | 5 | 0 | 0 | 0 | 112.4 | L670 K673 F718 V741 | L670-D999 HydrophobicContact CD1-CB 3.71Å; K673-D999 IonicContact NZ-OD1 3.5Å; K673-D999 PolarHBondContact NZ-OD1 2.94Å; K673-D999 IonicContact NZ-OD2 2.9Å; K673-D999 PolarHBondContact NZ-OD2 3.11Å; F718-D999 WeakPolarHBondContact CD2-O 3.49Å; V741-D999 PolarHBondContact O-N 3.43Å | ||
| 1000 | D | 62.3 | Low | 49 | Very low | 35 Ų | 35 | 53 Ų | 53 | 19% | 0.187 | 32% | 0.324 | C | S | . | . | trans | -87.7 | 1.6 | -175.5 | 62.9 | -10.5 | 0 | 0 | 0 | 114.6 | L674 F998 G1002 L1003 P1012 | L674-D1000 WeakPolarHBondContact CD2-OD1 3.44Å; F998-D1000 VanDerWaalsContact C-N 3.32Å; F998-D1000 PolarHBondContact O-N 2.8Å; D1000-G1002 PolarHBondContact O-N 3.43Å; D1000-L1003 HydrophobicContact CB-CD1 4.38Å; D1000-L1003 WeakPolarHBondContact O-CB 3.41Å; D1000-L1003 PolarHBondContact O-N 2.93Å; D1000-P1012 WeakPolarHBondContact OD2-CD 3.31Å | ||
| 1001 | I | 53.8 | Low | 48.4 | Very low | 44 Ų | 44 | 56.7 Ų | 56.7 | 23% | 0.226 | 35% | 0.348 | C | S | . | . | G | 310 helix | trans | -58.6 | -20.4 | -167.7 | -62.8 | 171.5 | 0 | 0 | 0 | 113.6 | K673 L674 A677 N1004 | K673-I1001 HydrophobicContact CD-CD1 3.83Å; K673-I1001 HydrophobicContact CG-CD1 3.57Å; L674-I1001 HydrophobicContact CD2-CD1 3.75Å; L674-I1001 HydrophobicContact CD2-CG1 3.65Å; L674-I1001 HydrophobicContact CG-CD1 4.47Å; A677-I1001 HydrophobicContact CB-CD1 3.99Å; A677-I1001 HydrophobicContact CB-CG1 4.18Å; I1001-N1004 PolarHBondContact O-ND2 2.8Å; I1001-N1004 VanDerWaalsContact O-ND2 3.08Å |
| 1002 | G | 46.4 | Very low | 47.6 | Very low | 41 Ų | 41 | 55.4 Ų | 55.4 | 42% | 0.423 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -82.2 | -12.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | L719 D1000 N1004 | L719-G1002 VanDerWaalsContact CD1-CA 3.42Å; L719-G1002 WeakPolarHBondContact CD1-O 3.32Å; D1000-G1002 PolarHBondContact O-N 3.43Å; G1002-N1004 PolarHBondContact O-N 3.38Å; G1002-N1004 VanDerWaalsContact O-N 3.14Å |
| 1003 | L | 46 | Very low | 47.1 | Very low | 73 Ų | 73 | 57.8 Ų | 57.8 | 38% | 0.382 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -71.5 | -0.4 | 177 | -91.9 | 138.5 | 0 | 0 | 0 | 113.2 | D1000 S1005 C1006 | D1000-L1003 HydrophobicContact CB-CD1 4.38Å; D1000-L1003 WeakPolarHBondContact O-CB 3.41Å; D1000-L1003 PolarHBondContact O-N 2.93Å; L1003-S1005 PolarHBondContact O-N 3.41Å; L1003-C1006 HydrophobicContact CD2-CB 4.44Å; L1003-C1006 WeakPolarHBondContact O-CA 3.44Å; L1003-C1006 WeakPolarHBondContact O-CB 3.36Å; L1003-C1006 PolarHBondContact O-N 3.09Å |
| 1004 | N | 40 | Very low | 45.9 | Very low | 132 Ų | 132 | 60.1 Ų | 60.1 | 71% | 0.706 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | -61.3 | -1.5 | -176.6 | -77.7 | -16.4 | 0 | 0 | 0 | 116.5 | I1001 G1002 | I1001-N1004 PolarHBondContact O-ND2 2.8Å; I1001-N1004 VanDerWaalsContact O-ND2 3.08Å; G1002-N1004 PolarHBondContact O-N 3.38Å; G1002-N1004 VanDerWaalsContact O-N 3.14Å |
| 1005 | S | 35.8 | Very low | 44.8 | Very low | 120 Ų | 120 | 59.9 Ų | 59.9 | 84% | 0.839 | 37% | 0.37 | S | S | * | . | G | 310 helix | trans | -86.4 | -9.5 | 163.1 | 47.6 | 0 | 0 | 0 | 0 | 113.7 | L1003 | L1003-S1005 PolarHBondContact O-N 3.41Š|
| 1006 | C | 30 | Very low | 43.4 | Very low | 62 Ų | 62 | 61.2 Ų | 61.2 | 42% | 0.419 | 38% | 0.379 | S | S | . | . | trans | -103.8 | 99.4 | 171.3 | -116.2 | 0 | 0 | 0 | 0 | 108 | L1003 N1008 | L1003-C1006 HydrophobicContact CD2-CB 4.44Å; L1003-C1006 WeakPolarHBondContact O-CA 3.44Å; L1003-C1006 WeakPolarHBondContact O-CB 3.36Å; L1003-C1006 PolarHBondContact O-N 3.09Å; C1006-N1008 PolarHBondContact O-N 2.87Å | ||
| 1007 | V | 30.3 | Very low | 42.2 | Very low | 133 Ų | 133 | 61.3 Ų | 61.3 | 81% | 0.806 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -5.8 | 174.3 | -163.7 | 0 | 0 | 0 | 0 | 111.5 | ||
| 1008 | N | 29.1 | Very low | 40.6 | Very low | 120 Ų | 120 | 65.8 Ų | 65.8 | 64% | 0.642 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -137.3 | 40.7 | -170.6 | -59.6 | -21.6 | 0 | 0 | 0 | 114.4 | C1006 | C1006-N1008 PolarHBondContact O-N 2.87Š|
| 1009 | G | 29.6 | Very low | 38.8 | Very low | 34 Ų | 34 | 70.5 Ų | 70.5 | 35% | 0.351 | 43% | 0.425 | S | S | . | . | trans | -123.6 | 148.3 | -179 | 0 | 0 | 0 | 0 | 0 | 114.1 | T1011 | G1009-T1011 PolarHBondContact O-N 2.8Š| ||
| 1010 | P | 30 | Very low | 36.9 | Very low | 104 Ų | 104 | 75.6 Ų | 75.6 | 68% | 0.675 | 45% | 0.452 | S | S | * | . | P | Polyproline II helix | trans | -73.4 | 124.8 | -150.7 | 29.2 | -34.7 | 0 | 0 | 0 | 114.2 | ||
| 1011 | T | 32.9 | Very low | 35.4 | Very low | 104 Ų | 104 | 76.6 Ų | 76.6 | 64% | 0.638 | 47% | 0.47 | S | S | * | . | P | Polyproline II helix | trans | -70.5 | 138.9 | 169.4 | 7.3 | 0 | 0 | 0 | 0 | 111.1 | G1009 A1013 | G1009-T1011 PolarHBondContact O-N 2.8Å; T1011-A1013 PolarHBondContact O-N 2.81Å |
| 1012 | P | 35.4 | Very low | 34.1 | Very low | 32 Ų | 32 | 83.6 Ų | 83.6 | 21% | 0.208 | 51% | 0.507 | C | S | . | . | P | Polyproline II helix | trans | -52.7 | 128.5 | 174.4 | -25.6 | 32.7 | 0 | 0 | 0 | 111.6 | D1000 M1014 | D1000-P1012 WeakPolarHBondContact OD2-CD 3.31Å; P1012-M1014 PolarHBondContact O-N 3.16Å; P1012-M1014 VanDerWaalsContact O-N 3.11Å |
| 1013 | A | 38.1 | Very low | 33.4 | Very low | 55 Ų | 55 | 86.3 Ų | 86.3 | 46% | 0.455 | 52% | 0.519 | S | S | . | . | trans | -65.9 | 107.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | T1011 L1015 | T1011-A1013 PolarHBondContact O-N 2.81Å; A1013-L1015 HydrophobicContact CB-CD1 3.88Å; A1013-L1015 HydrophobicContact CB-CG 4.47Å; A1013-L1015 PolarHBondContact O-N 3.42Å | ||
| 1014 | M | 34.4 | Very low | 32.8 | Very low | 71 Ų | 71 | 87.8 Ų | 87.8 | 35% | 0.35 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 105.1 | 158.4 | -149.5 | -175.3 | 72.2 | 0 | 0 | 107.1 | V864 L867 P1012 I1016 | V864-M1014 HydrophobicContact CG2-CE 3.77Å; L867-M1014 HydrophobicContact CD1-CE 3.65Å; L867-M1014 HydrophobicContact CD1-SD 3.42Å; L867-M1014 WeakPolarHBondContact CD1-SD 3.33Å; P1012-M1014 PolarHBondContact O-N 3.16Å; P1012-M1014 VanDerWaalsContact O-N 3.11Å; M1014-I1016 HydrophobicContact CE-CD1 3.79Å; M1014-I1016 HydrophobicContact CE-CG1 4.29Å |
| 1015 | L | 35.1 | Very low | 32.4 | Very low | 12 Ų | 12 | 86.5 Ų | 86.5 | 6% | 0.063 | 53% | 0.534 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 95.3 | 179.7 | -98.5 | 155.5 | 0 | 0 | 0 | 110.1 | H984 L987 T988 A1013 | H984-L1015 HydrophobicContact CB-CD2 4.33Å; H984-L1015 VanDerWaalsContact ND1-CD2 3.34Å; H984-L1015 WeakPolarHBondContact ND1-CD2 3.39Å; L987-L1015 HydrophobicContact CB-CB 4.22Å; L987-L1015 HydrophobicContact CB-CD1 3.83Å; L987-L1015 HydrophobicContact CB-CD2 3.8Å; L987-L1015 HydrophobicContact CB-CG 4.14Å; L987-L1015 HydrophobicContact CD1-CB 4.33Å; L987-L1015 HydrophobicContact CD1-CD1 3.31Å; L987-L1015 HydrophobicContact CD1-CG 4.3Å; L987-L1015 HydrophobicContact CG-CD1 4.17Å; T988-L1015 HydrophobicContact CG2-CD2 4.12Å; A1013-L1015 HydrophobicContact CB-CD1 3.88Å; A1013-L1015 HydrophobicContact CB-CG 4.47Å; A1013-L1015 PolarHBondContact O-N 3.42Å |
| 1016 | I | 34.7 | Very low | 32 | Very low | 52 Ų | 52 | 83.7 Ų | 83.7 | 27% | 0.267 | 52% | 0.515 | S | S | . | . | trans | -91.9 | 117 | 174.9 | -57 | -176.7 | 0 | 0 | 0 | 107.8 | I860 M1014 | I860-I1016 HydrophobicContact CG2-CD1 3.43Å; I860-I1016 VanDerWaalsContact CG2-CD1 3.43Å; I860-I1016 HydrophobicContact CG2-CG2 4.28Å; M1014-I1016 HydrophobicContact CE-CD1 3.79Å; M1014-I1016 HydrophobicContact CE-CG1 4.29Å | ||
| 1017 | N | 36.5 | Very low | 32 | Very low | 19 Ų | 19 | 85.6 Ų | 85.6 | 10% | 0.102 | 53% | 0.527 | C | S | . | . | trans | -86.5 | 122.3 | 173.6 | -153.3 | -37.8 | 0 | 0 | 0 | 110.8 | L987 T988 A989 H990 N1019 | L987-N1017 VanDerWaalsContact C-ND2 3.3Å; L987-N1017 PolarHBondContact O-ND2 3.03Å; T988-N1017 VanDerWaalsContact C-CG 3.4Å; T988-N1017 WeakPolarHBondContact CA-ND2 3.4Å; T988-N1017 PolarHBondContact O-ND2 3.47Å; T988-N1017 PolarHBondContact O-OD1 3.43Å; A989-N1017 PolarHBondContact N-ND2 2.9Å; H990-N1017 PolarHBondContact N-ND2 3.43Å; H990-N1017 WeakPolarHBondContact O-CB 3.14Å; H990-N1017 PolarHBondContact O-ND2 3.28Å; N1017-N1019 PolarHBondContact OD1-N 3.01Å | ||
| 1018 | H | 33.9 | Very low | 32.1 | Very low | 100 Ų | 100 | 87.1 Ų | 87.1 | 46% | 0.463 | 53% | 0.525 | S | S | . | . | trans | -103.7 | 5.9 | -177.8 | -88.6 | -68.4 | 0 | 0 | 0 | 114.6 | L1020 | H1018-L1020 PolarHBondContact O-N 2.92Š| ||
| 1019 | N | 31.8 | Very low | 32.5 | Very low | 109 Ų | 109 | 86 Ų | 86 | 58% | 0.583 | 52% | 0.522 | S | S | * | . | trans | -95.4 | 91.9 | -176.9 | -72.6 | -41.1 | 0 | 0 | 0 | 112.7 | T988 N1017 G1021 | T988-N1019 PolarHBondContact O-ND2 2.95Å; N1017-N1019 PolarHBondContact OD1-N 3.01Å; N1019-G1021 PolarHBondContact O-N 3.48Å; N1019-G1021 VanDerWaalsContact O-N 3.17Å | ||
| 1020 | L | 28.2 | Very low | 33 | Very low | 136 Ų | 136 | 86.6 Ų | 86.6 | 71% | 0.712 | 52% | 0.517 | S | S | * | . | trans | -75.7 | 86.6 | 168.3 | -73.1 | 171 | 0 | 0 | 0 | 110.4 | V751 H1018 | V751-L1020 HydrophobicContact CG2-CD2 3.32Å; H1018-L1020 PolarHBondContact O-N 2.92Å | ||
| 1021 | G | 31.1 | Very low | 33.9 | Very low | 55 Ų | 55 | 85.2 Ų | 85.2 | 57% | 0.567 | 50% | 0.504 | S | S | * | . | trans | -117.9 | 119.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | N1019 C1023 | N1019-G1021 PolarHBondContact O-N 3.48Å; N1019-G1021 VanDerWaalsContact O-N 3.17Å; G1021-C1023 PolarHBondContact O-N 3.17Å | ||
| 1022 | L | 28 | Very low | 35 | Very low | 191 Ų | 191 | 83.2 Ų | 83.2 | 100% | 1 | 49% | 0.489 | S | S | * | . | trans | -62.1 | 115.9 | -178.3 | -65.8 | 150.8 | 0 | 0 | 0 | 111.5 | ||||
| 1023 | C | 31.7 | Very low | 36 | Very low | 99 Ų | 99 | 83.6 Ų | 83.6 | 67% | 0.669 | 49% | 0.493 | S | S | * | . | trans | -124.6 | 140.6 | 163.5 | -152.3 | 0 | 0 | 0 | 0 | 109.8 | G1021 D1025 | G1021-C1023 PolarHBondContact O-N 3.17Å; C1023-D1025 PolarHBondContact O-N 3.1Å; C1023-D1025 PolarHBondContact SG-OD2 2.92Å; C1023-D1025 VanDerWaalsContact SG-OD2 3.4Å | ||
| 1024 | A | 32.1 | Very low | 36.9 | Very low | 104 Ų | 104 | 81.1 Ų | 81.1 | 86% | 0.86 | 47% | 0.472 | S | S | * | . | trans | -96.1 | 36 | -165.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1025 | D | 31.3 | Very low | 38.1 | Very low | 104 Ų | 104 | 78.3 Ų | 78.3 | 56% | 0.556 | 46% | 0.46 | S | S | * | . | trans | -88.7 | 150.9 | -177.2 | -61 | -45.5 | 0 | 0 | 0 | 112.1 | C1023 L1030 | C1023-D1025 PolarHBondContact O-N 3.1Å; C1023-D1025 PolarHBondContact SG-OD2 2.92Å; C1023-D1025 VanDerWaalsContact SG-OD2 3.4Å; D1025-L1030 HydrophobicContact CB-CD1 4.47Å | ||
| 1026 | S | 27.9 | Very low | 39.4 | Very low | 62 Ų | 62 | 82.2 Ų | 82.2 | 43% | 0.434 | 47% | 0.474 | S | S | . | . | trans | -65.2 | 147.9 | -177 | 73.7 | 0 | 0 | 0 | 0 | 111.8 | E1028 V1029 | S1026-E1028 PolarHBondContact O-N 3.3Å; S1026-E1028 VanDerWaalsContact O-N 3.14Å; S1026-V1029 PolarHBondContact O-N 3.01Å | ||
| 1027 | P | 29.7 | Very low | 40.7 | Very low | 102 Ų | 102 | 83 Ų | 83 | 66% | 0.662 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -58.3 | -31 | -174.5 | -23.2 | 31.8 | 0 | 0 | 0 | 114.5 | L1031 | P1027-L1031 WeakPolarHBondContact O-CD1 3.12Å; P1027-L1031 PolarHBondContact O-N 3.43Å |
| 1028 | E | 32.6 | Very low | 42 | Very low | 164 Ų | 164 | 82.2 Ų | 82.2 | 77% | 0.766 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -69.6 | -35.1 | -178.1 | -77 | -179.8 | 153.7 | 0 | 0 | 113.1 | S1026 | S1026-E1028 PolarHBondContact O-N 3.3Å; S1026-E1028 VanDerWaalsContact O-N 3.14Å |
| 1029 | V | 37.5 | Very low | 43.6 | Very low | 97 Ų | 97 | 77.5 Ų | 77.5 | 59% | 0.588 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -73.9 | -32.9 | 179.5 | -178.7 | 0 | 0 | 0 | 0 | 111 | S1026 | S1026-V1029 PolarHBondContact O-N 3.01Å |
| 1030 | L | 40.4 | Very low | 45.1 | Very low | 46 Ų | 46 | 76.8 Ų | 76.8 | 24% | 0.241 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -66.2 | -40.1 | 176.7 | -114 | 133.7 | 0 | 0 | 0 | 112.1 | P991 D1025 S1033 V1034 | P991-L1030 HydrophobicContact CG-CD2 4.49Å; D1025-L1030 HydrophobicContact CB-CD1 4.47Å; L1030-S1033 PolarHBondContact O-N 3.15Å; L1030-S1033 PolarHBondContact O-OG 3.39Å; L1030-V1034 WeakPolarHBondContact O-CG2 3.32Å; L1030-V1034 PolarHBondContact O-N 2.94Å |
| 1031 | L | 47.9 | Very low | 46.6 | Very low | 75 Ų | 75 | 71.3 Ų | 71.3 | 39% | 0.393 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -60.1 | -46.7 | 179.7 | -104 | 114.4 | 0 | 0 | 0 | 113 | P1027 S1033 V1034 A1035 | P1027-L1031 WeakPolarHBondContact O-CD1 3.12Å; P1027-L1031 PolarHBondContact O-N 3.43Å; L1031-S1033 VanDerWaalsContact C-N 3.34Å; L1031-S1033 PolarHBondContact O-N 2.85Å; L1031-V1034 PolarHBondContact O-N 2.88Å; L1031-A1035 WeakPolarHBondContact O-CB 3.45Å; L1031-A1035 PolarHBondContact O-N 3.07Å; L1031-A1035 VanDerWaalsContact O-N 3.11Å |
| 1032 | D | 56.7 | Low | 48.2 | Very low | 62 Ų | 62 | 68.7 Ų | 68.7 | 33% | 0.332 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -65 | -38.1 | -177.2 | -104.6 | 15.4 | 0 | 0 | 0 | 111.5 | R1036 R1071 | D1032-R1036 WeakPolarHBondContact O-CB 3.36Å; D1032-R1036 PolarHBondContact O-N 2.94Å; D1032-R1036 VanDerWaalsContact O-N 3.11Å; D1032-R1071 IonicContact OD2-NH1 3.28Å; D1032-R1071 PolarHBondContact OD2-NH1 3.46Å |
| 1033 | S | 56.6 | Low | 50 | Low | 41 Ų | 41 | 60.2 Ų | 60.2 | 29% | 0.287 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -68.3 | -41.7 | -179.1 | 75.7 | 0 | 0 | 0 | 0 | 113.1 | L1030 L1031 R1037 | L1030-S1033 PolarHBondContact O-N 3.15Å; L1030-S1033 PolarHBondContact O-OG 3.39Å; L1031-S1033 VanDerWaalsContact C-N 3.34Å; L1031-S1033 PolarHBondContact O-N 2.85Å; S1033-R1037 WeakPolarHBondContact O-CG 3.07Å; S1033-R1037 PolarHBondContact O-N 3.17Å |
| 1034 | V | 57.2 | Low | 51.3 | Low | 3 Ų | 3 | 57.7 Ų | 57.7 | 2% | 0.018 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -72.6 | -47.5 | -178.1 | 176.3 | 0 | 0 | 0 | 0 | 110.6 | P748 A992 I994 L1030 L1031 R1036 R1037 L1038 | P748-V1034 HydrophobicContact CB-CG2 4.45Å; A992-V1034 HydrophobicContact CB-CB 4.27Å; A992-V1034 HydrophobicContact CB-CG1 3.79Å; A992-V1034 HydrophobicContact CB-CG2 3.39Å; I994-V1034 HydrophobicContact CD1-CG1 4.5Å; I994-V1034 HydrophobicContact CG1-CG1 4.43Å; L1030-V1034 WeakPolarHBondContact O-CG2 3.32Å; L1030-V1034 PolarHBondContact O-N 2.94Å; L1031-V1034 PolarHBondContact O-N 2.88Å; V1034-R1036 VanDerWaalsContact C-N 3.26Å; V1034-R1036 PolarHBondContact O-N 3.42Å; V1034-R1037 PolarHBondContact O-N 2.82Å; V1034-L1038 PolarHBondContact O-N 3.32Å |
| 1035 | A | 59.9 | Low | 52.5 | Low | 11 Ų | 11 | 53.9 Ų | 53.9 | 9% | 0.091 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.5 | -41 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | L1031 L1038 F1039 F1072 | L1031-A1035 WeakPolarHBondContact O-CB 3.45Å; L1031-A1035 PolarHBondContact O-N 3.07Å; L1031-A1035 VanDerWaalsContact O-N 3.11Å; A1035-L1038 PolarHBondContact O-N 2.91Å; A1035-F1039 VanDerWaalsContact O-CB 3.32Å; A1035-F1039 WeakPolarHBondContact O-CB 3.45Å; A1035-F1039 PolarHBondContact O-N 2.92Å; A1035-F1072 HydrophobicContact CB-CZ 3.82Å |
| 1036 | R | 62 | Low | 53.9 | Low | 95 Ų | 95 | 48.9 Ų | 48.9 | 36% | 0.358 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62 | -44.2 | 176.5 | -163.8 | 177.5 | -124.8 | -171.9 | -0.8 | 112.5 | D1032 V1034 F1039 I1040 R1071 F1072 | D1032-R1036 WeakPolarHBondContact O-CB 3.36Å; D1032-R1036 PolarHBondContact O-N 2.94Å; D1032-R1036 VanDerWaalsContact O-N 3.11Å; V1034-R1036 VanDerWaalsContact C-N 3.26Å; V1034-R1036 PolarHBondContact O-N 3.42Å; R1036-F1039 WeakPolarHBondContact O-CB 3.13Å; R1036-F1039 PolarHBondContact O-N 3Å; R1036-I1040 HydrophobicContact CG-CD1 4.32Å; R1036-I1040 VanDerWaalsContact O-CG1 3.31Å; R1036-I1040 WeakPolarHBondContact O-CG1 3.46Å; R1036-I1040 PolarHBondContact O-N 3.44Å; R1036-R1071 PolarHBondContact NH2-O 3.2Å; R1036-F1072 VanDerWaalsContact CA-CE1 3.48Å; R1036-F1072 HydrophobicContact CB-CD1 4.32Å; R1036-F1072 HydrophobicContact CB-CE1 3.65Å; R1036-F1072 HydrophobicContact CB-CZ 4.49Å; R1036-F1072 HydrophobicContact CG-CD1 4.09Å; R1036-F1072 HydrophobicContact CG-CE1 3.91Å |
| 1037 | R | 62.3 | Low | 55.4 | Low | 69 Ų | 69 | 51.5 Ų | 51.5 | 26% | 0.26 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -65.4 | -46.2 | 178.5 | -73 | 176.6 | -170.7 | -132.4 | 2 | 112.1 | H990 I994 S1033 V1034 F1039 I1040 C1041 | H990-R1037 PolarHBondContact CD2-NH1 3.25Å; H990-R1037 PolarHBondContact CD2-NH2 3.45Å; I994-R1037 HydrophobicContact CD1-CB 3.92Å; S1033-R1037 WeakPolarHBondContact O-CG 3.07Å; S1033-R1037 PolarHBondContact O-N 3.17Å; V1034-R1037 PolarHBondContact O-N 2.82Å; R1037-F1039 PolarHBondContact O-N 3.34Å; R1037-I1040 PolarHBondContact O-N 3.31Å; R1037-C1041 PolarHBondContact O-N 3.29Å; R1037-C1041 PolarHBondContact O-SG 2.9Å |
| 1038 | L | 64.3 | Low | 56.6 | Low | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -55.6 | -44.1 | 174.2 | 176.8 | 70.1 | 0 | 0 | 0 | 110.3 | S709 F711 I994 I996 V1034 A1035 C1041 L1042 | S709-L1038 VanDerWaalsContact O-CD2 3.31Å; S709-L1038 WeakPolarHBondContact O-CD2 3.28Å; F711-L1038 HydrophobicContact CD2-CD2 3.55Å; F711-L1038 HydrophobicContact CD2-CG 4.44Å; F711-L1038 HydrophobicContact CE2-CD2 3.71Å; I994-L1038 HydrophobicContact CG2-CB 4.17Å; I994-L1038 HydrophobicContact CG2-CD1 3.47Å; I994-L1038 VanDerWaalsContact CG2-CD1 3.47Å; I994-L1038 HydrophobicContact CG2-CG 4.41Å; I996-L1038 HydrophobicContact CD1-CD1 3.75Å; I996-L1038 WeakPolarHBondContact CD1-O 3.08Å; I996-L1038 HydrophobicContact CG1-CD1 3.54Å; V1034-L1038 PolarHBondContact O-N 3.32Å; A1035-L1038 PolarHBondContact O-N 2.91Å; L1038-C1041 PolarHBondContact O-N 3.21Å; L1038-L1042 WeakPolarHBondContact O-CB 3.22Å; L1038-L1042 PolarHBondContact O-N 2.78Å |
| 1039 | F | 66.5 | Low | 57.5 | Low | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.009 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.7 | -42.4 | 179.2 | -155.3 | -106.3 | 0 | 0 | 0 | 113.4 | V656 A1035 R1036 R1037 C1041 L1042 L1043 Y1069 F1072 F1074 | V656-F1039 HydrophobicContact CG1-CE2 3.97Å; A1035-F1039 VanDerWaalsContact O-CB 3.32Å; A1035-F1039 WeakPolarHBondContact O-CB 3.45Å; A1035-F1039 PolarHBondContact O-N 2.92Å; R1036-F1039 WeakPolarHBondContact O-CB 3.13Å; R1036-F1039 PolarHBondContact O-N 3Å; R1037-F1039 PolarHBondContact O-N 3.34Å; F1039-C1041 VanDerWaalsContact C-N 3.32Å; F1039-C1041 PolarHBondContact O-N 3.12Å; F1039-L1042 PolarHBondContact O-N 2.81Å; F1039-L1043 HydrophobicContact CD1-CD1 3.59Å; F1039-L1043 HydrophobicContact CD1-CG 4.02Å; F1039-L1043 HydrophobicContact CE1-CD1 3.63Å; F1039-L1043 HydrophobicContact CE1-CD2 4.28Å; F1039-L1043 HydrophobicContact CE1-CG 4.08Å; F1039-L1043 VanDerWaalsContact O-CG 3.3Å; F1039-L1043 WeakPolarHBondContact O-CG 3.44Å; F1039-L1043 PolarHBondContact O-N 3.06Å; F1039-Y1069 AromaticContact CE2-CE1 3.99Å; F1039-Y1069 HydrophobicContact CE2-CE1 3.99Å; F1039-Y1069 HydrophobicContact CZ-CD1 4.21Å; F1039-Y1069 HydrophobicContact CZ-CE1 4.07Å; F1039-F1072 HydrophobicContact CD1-CB 3.72Å; F1039-F1072 HydrophobicContact CD1-CD2 4.22Å; F1039-F1072 AromaticContact CD1-CG 3.99Å; F1039-F1072 HydrophobicContact CD1-CG 3.99Å; F1039-F1072 HydrophobicContact CD2-CD2 4.22Å; F1039-F1072 HydrophobicContact CE1-CB 3.54Å; F1039-F1072 HydrophobicContact CE1-CD2 4.33Å; F1039-F1072 HydrophobicContact CE1-CG 4.19Å; F1039-F1072 HydrophobicContact CE2-CD2 4.38Å; F1039-F1072 HydrophobicContact CG-CB 4.44Å; F1039-F1072 HydrophobicContact CG-CD2 4.11Å; F1039-F1072 HydrophobicContact CG-CG 4.25Å; F1039-F1072 HydrophobicContact CZ-CB 4.19Å; F1039-F1072 HydrophobicContact CZ-CD2 4.38Å; F1039-F1074 AromaticContact CE1-CD2 3.83Å; F1039-F1074 HydrophobicContact CE1-CD2 3.83Å; F1039-F1074 AromaticContact CE1-CE2 3.29Å; F1039-F1074 HydrophobicContact CE1-CE2 3.29Å; F1039-F1074 HydrophobicContact CE1-CZ 4.17Å; F1039-F1074 HydrophobicContact CE2-CE2 4.33Å; F1039-F1074 AromaticContact CZ-CD2 3.73Å; F1039-F1074 HydrophobicContact CZ-CD2 3.73Å; F1039-F1074 AromaticContact CZ-CE2 3.06Å; F1039-F1074 HydrophobicContact CZ-CE2 3.06Å; F1039-F1074 AromaticContact CZ-CZ 3.53Å; F1039-F1074 HydrophobicContact CZ-CZ 3.53Å |
| 1040 | I | 63 | Low | 58.2 | Low | 94 Ų | 94 | 43.1 Ų | 43.1 | 48% | 0.482 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -58.8 | -45.8 | 174.5 | -71.4 | 164.4 | 0 | 0 | 0 | 110.4 | R1036 R1037 L1042 L1043 A1044 | R1036-I1040 HydrophobicContact CG-CD1 4.32Å; R1036-I1040 VanDerWaalsContact O-CG1 3.31Å; R1036-I1040 WeakPolarHBondContact O-CG1 3.46Å; R1036-I1040 PolarHBondContact O-N 3.44Å; R1037-I1040 PolarHBondContact O-N 3.31Å; I1040-L1042 VanDerWaalsContact C-N 3.34Å; I1040-L1042 PolarHBondContact O-N 3.15Å; I1040-L1043 PolarHBondContact O-N 3.13Å; I1040-A1044 WeakPolarHBondContact O-CB 3.48Å; I1040-A1044 PolarHBondContact O-N 2.89Å |
| 1041 | C | 60.4 | Low | 59 | Low | 20 Ų | 20 | 41 Ų | 41 | 14% | 0.135 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.3 | -40.1 | 178.9 | -63.2 | 0 | 0 | 0 | 0 | 111.6 | I996 R1037 L1038 F1039 A1044 A1045 | I996-C1041 HydrophobicContact CD1-CB 3.28Å; R1037-C1041 PolarHBondContact O-N 3.29Å; R1037-C1041 PolarHBondContact O-SG 2.9Å; L1038-C1041 PolarHBondContact O-N 3.21Å; F1039-C1041 VanDerWaalsContact C-N 3.32Å; F1039-C1041 PolarHBondContact O-N 3.12Å; C1041-A1044 PolarHBondContact O-N 2.99Å; C1041-A1045 WeakPolarHBondContact O-CB 3.31Å; C1041-A1045 PolarHBondContact O-N 3.31Å |
| 1042 | L | 64.5 | Low | 59.7 | Low | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.9 | -43.4 | 176.4 | -178.5 | 136.1 | 0 | 0 | 0 | 112.3 | V656 V713 I996 F998 L1038 F1039 I1040 A1045 L1046 | V656-L1042 HydrophobicContact CB-CD2 4.29Å; V656-L1042 HydrophobicContact CG1-CD1 4.4Å; V656-L1042 HydrophobicContact CG1-CD2 3.57Å; V656-L1042 HydrophobicContact CG2-CD2 3.69Å; V713-L1042 HydrophobicContact CG2-CD1 3.61Å; V713-L1042 HydrophobicContact CG2-CD2 4.4Å; V713-L1042 HydrophobicContact CG2-CG 4.14Å; I996-L1042 HydrophobicContact CD1-CB 4.22Å; F998-L1042 HydrophobicContact CZ-CG 4.19Å; L1038-L1042 WeakPolarHBondContact O-CB 3.22Å; L1038-L1042 PolarHBondContact O-N 2.78Å; F1039-L1042 PolarHBondContact O-N 2.81Å; I1040-L1042 VanDerWaalsContact C-N 3.34Å; I1040-L1042 PolarHBondContact O-N 3.15Å; L1042-A1045 PolarHBondContact O-N 2.9Å; L1042-L1046 HydrophobicContact CD2-CD1 3.98Å; L1042-L1046 WeakPolarHBondContact O-CG 3.09Å; L1042-L1046 PolarHBondContact O-N 2.93Å |
| 1043 | L | 65.1 | Low | 60.1 | Low | 13 Ų | 13 | 38.2 Ų | 38.2 | 7% | 0.068 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -67.7 | -38.1 | 175.8 | -66.4 | 175.8 | 0 | 0 | 0 | 112 | F1039 I1040 L1046 K1047 A1054 R1090 I1092 | F1039-L1043 HydrophobicContact CD1-CD1 3.59Å; F1039-L1043 HydrophobicContact CD1-CG 4.02Å; F1039-L1043 HydrophobicContact CE1-CD1 3.63Å; F1039-L1043 HydrophobicContact CE1-CD2 4.28Å; F1039-L1043 HydrophobicContact CE1-CG 4.08Å; F1039-L1043 VanDerWaalsContact O-CG 3.3Å; F1039-L1043 WeakPolarHBondContact O-CG 3.44Å; F1039-L1043 PolarHBondContact O-N 3.06Å; I1040-L1043 PolarHBondContact O-N 3.13Å; L1043-L1046 PolarHBondContact O-N 2.96Å; L1043-K1047 WeakPolarHBondContact O-CB 3.49Å; L1043-K1047 PolarHBondContact O-N 2.94Å; L1043-A1054 HydrophobicContact CD2-CB 4.42Å; L1043-R1090 VanDerWaalsContact CD1-CZ 3.41Å; L1043-I1092 HydrophobicContact CD2-CD1 4Å; L1043-I1092 HydrophobicContact CD2-CG1 4Å; L1043-I1092 WeakPolarHBondContact O-CG2 3.42Å |
| 1044 | A | 59.4 | Low | 60.7 | Low | 45 Ų | 45 | 36.4 Ų | 36.4 | 37% | 0.372 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -61.9 | -44.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | I1040 C1041 K1047 T1048 | I1040-A1044 WeakPolarHBondContact O-CB 3.48Å; I1040-A1044 PolarHBondContact O-N 2.89Å; C1041-A1044 PolarHBondContact O-N 2.99Å; A1044-K1047 VanDerWaalsContact O-CB 3.25Å; A1044-K1047 WeakPolarHBondContact O-CB 3.39Å; A1044-K1047 PolarHBondContact O-N 3.42Å; A1044-K1047 VanDerWaalsContact O-N 3.12Å; A1044-T1048 PolarHBondContact O-N 3.29Å; A1044-T1048 VanDerWaalsContact O-N 3.13Å |
| 1045 | A | 57.6 | Low | 61.8 | Low | 24 Ų | 24 | 38.8 Ų | 38.8 | 20% | 0.198 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67 | -38.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | F998 C1041 L1042 K1047 T1048 V1049 | F998-A1045 HydrophobicContact CD2-CB 3.69Å; F998-A1045 HydrophobicContact CE2-CB 3.14Å; F998-A1045 HydrophobicContact CZ-CB 3.81Å; C1041-A1045 WeakPolarHBondContact O-CB 3.31Å; C1041-A1045 PolarHBondContact O-N 3.31Å; L1042-A1045 PolarHBondContact O-N 2.9Å; A1045-K1047 PolarHBondContact O-N 3.49Å; A1045-T1048 PolarHBondContact O-N 2.89Å; A1045-T1048 PolarHBondContact O-OG1 3.27Å; A1045-V1049 WeakPolarHBondContact O-CG2 3.41Å; A1045-V1049 PolarHBondContact O-N 3.12Å |
| 1046 | L | 60.2 | Low | 62.8 | Low | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.5 | -33 | 170.1 | -79 | 175.6 | 0 | 0 | 0 | 112.1 | Y654 V656 V713 F998 L1042 L1043 V1049 A1051 A1054 I1092 | Y654-L1046 HydrophobicContact CD1-CD2 4.3Å; Y654-L1046 HydrophobicContact CD2-CD2 3.84Å; Y654-L1046 HydrophobicContact CE2-CD2 4.34Å; Y654-L1046 HydrophobicContact CG-CD2 3.82Å; V656-L1046 HydrophobicContact CG2-CD1 3.82Å; V713-L1046 HydrophobicContact CG1-CD2 3.93Å; F998-L1046 HydrophobicContact CE1-CD2 3.9Å; F998-L1046 HydrophobicContact CE1-CG 4.12Å; F998-L1046 HydrophobicContact CZ-CD2 4.42Å; F998-L1046 HydrophobicContact CZ-CG 4.14Å; L1042-L1046 HydrophobicContact CD2-CD1 3.98Å; L1042-L1046 WeakPolarHBondContact O-CG 3.09Å; L1042-L1046 PolarHBondContact O-N 2.93Å; L1043-L1046 PolarHBondContact O-N 2.96Å; L1046-V1049 WeakPolarHBondContact O-CG2 3.38Å; L1046-A1051 HydrophobicContact CB-CB 3.83Å; L1046-A1051 HydrophobicContact CD2-CB 4.11Å; L1046-A1051 WeakPolarHBondContact O-CB 3.45Å; L1046-A1051 PolarHBondContact O-N 2.98Å; L1046-A1054 HydrophobicContact CD1-CB 4.26Å; L1046-I1092 HydrophobicContact CB-CD1 3.53Å; L1046-I1092 HydrophobicContact CD1-CD1 3.73Å; L1046-I1092 HydrophobicContact CG-CD1 4.27Å |
| 1047 | K | 60.2 | Low | 63.7 | Low | 116 Ų | 116 | 38.9 Ų | 38.9 | 50% | 0.504 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -66.8 | -39.5 | 176.2 | -165.2 | 178.3 | 174.7 | -174.1 | 0 | 112.2 | L1043 A1044 A1045 V1049 G1050 I1092 | L1043-K1047 WeakPolarHBondContact O-CB 3.49Å; L1043-K1047 PolarHBondContact O-N 2.94Å; A1044-K1047 VanDerWaalsContact O-CB 3.25Å; A1044-K1047 WeakPolarHBondContact O-CB 3.39Å; A1044-K1047 PolarHBondContact O-N 3.42Å; A1044-K1047 VanDerWaalsContact O-N 3.12Å; A1045-K1047 PolarHBondContact O-N 3.49Å; K1047-V1049 PolarHBondContact O-N 2.83Å; K1047-G1050 PolarHBondContact O-N 2.97Å; K1047-G1050 VanDerWaalsContact O-N 3.15Å; K1047-I1092 HydrophobicContact CB-CG2 3.57Å; K1047-I1092 HydrophobicContact CD-CG2 4.46Å; K1047-I1092 HydrophobicContact CG-CG2 4Å |
| 1048 | T | 53.7 | Low | 64.5 | Low | 107 Ų | 107 | 36.1 Ų | 36.1 | 66% | 0.656 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -66.6 | -27.3 | -178.4 | 59.3 | 0 | 0 | 0 | 0 | 112.8 | A1044 A1045 G1050 | A1044-T1048 PolarHBondContact O-N 3.29Å; A1044-T1048 VanDerWaalsContact O-N 3.13Å; A1045-T1048 PolarHBondContact O-N 2.89Å; A1045-T1048 PolarHBondContact O-OG1 3.27Å; T1048-G1050 VanDerWaalsContact C-N 3.34Å |
| 1049 | V | 51.8 | Low | 65.1 | Low | 44 Ų | 44 | 40.9 Ų | 40.9 | 27% | 0.267 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 12.1 | 176.3 | -62.5 | 0 | 0 | 0 | 0 | 113.7 | F718 A1045 L1046 K1047 A1051 | F718-V1049 HydrophobicContact CD1-CB 3.4Å; F718-V1049 HydrophobicContact CD1-CG1 3.81Å; F718-V1049 HydrophobicContact CD1-CG2 3.46Å; F718-V1049 VanDerWaalsContact CD1-CG2 3.46Å; F718-V1049 HydrophobicContact CD2-CG1 4.4Å; F718-V1049 HydrophobicContact CE1-CB 3.7Å; F718-V1049 HydrophobicContact CE1-CG1 4.06Å; F718-V1049 HydrophobicContact CE1-CG2 3.18Å; F718-V1049 HydrophobicContact CG-CB 4.06Å; F718-V1049 HydrophobicContact CG-CG1 4.01Å; F718-V1049 HydrophobicContact CG-CG2 4.45Å; F718-V1049 HydrophobicContact CZ-CG1 4.44Å; F718-V1049 HydrophobicContact CZ-CG2 3.97Å; A1045-V1049 WeakPolarHBondContact O-CG2 3.41Å; A1045-V1049 PolarHBondContact O-N 3.12Å; L1046-V1049 WeakPolarHBondContact O-CG2 3.38Å; K1047-V1049 PolarHBondContact O-N 2.83Å; V1049-A1051 PolarHBondContact O-N 2.81Å |
| 1050 | G | 53.3 | Low | 65.1 | Low | 37 Ų | 37 | 43.8 Ų | 43.8 | 38% | 0.381 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75 | 17.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | K1047 T1048 H1052 | K1047-G1050 PolarHBondContact O-N 2.97Å; K1047-G1050 VanDerWaalsContact O-N 3.15Å; T1048-G1050 VanDerWaalsContact C-N 3.34Å; G1050-H1052 PolarHBondContact O-CE1 3.41Å; G1050-H1052 VanDerWaalsContact O-CE1 3.29Å; G1050-H1052 PolarHBondContact O-N 3.36Å; G1050-H1052 PolarHBondContact O-ND1 2.8Å |
| 1051 | A | 56.2 | Low | 65.3 | Low | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.008 | 27% | 0.267 | C | S | . | . | trans | -61.4 | 136.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | R606 Y654 L1046 V1049 I1092 | R606-A1051 PolarHBondContact NH2-O 2.88Å; Y654-A1051 HydrophobicContact CD2-CB 3.55Å; Y654-A1051 HydrophobicContact CE2-CB 3.55Å; L1046-A1051 HydrophobicContact CB-CB 3.83Å; L1046-A1051 HydrophobicContact CD2-CB 4.11Å; L1046-A1051 WeakPolarHBondContact O-CB 3.45Å; L1046-A1051 PolarHBondContact O-N 2.98Å; V1049-A1051 PolarHBondContact O-N 2.81Å; A1051-I1092 HydrophobicContact CB-CD1 4.08Å | ||
| 1052 | H | 62.5 | Low | 65.6 | Low | 68 Ų | 68 | 49 Ų | 49 | 32% | 0.315 | 28% | 0.276 | S | S | . | . | trans | -93.3 | -24.7 | -177.4 | -76.6 | 53.1 | 0 | 0 | 0 | 114.1 | R606 F651 G1050 L1091 I1092 | R606-H1052 PolarHBondContact NE-O 3.38Å; R606-H1052 PolarHBondContact NH1-CD2 3.36Å; R606-H1052 PolarHBondContact NH1-O 3.38Å; R606-H1052 PolarHBondContact NH2-O 3.33Å; F651-H1052 HydrophobicContact CB-CB 4.44Å; F651-H1052 AromaticContact CD1-CD2 3.75Å; F651-H1052 AromaticContact CD1-CE1 3.49Å; F651-H1052 VanDerWaalsContact CD1-CE1 3.49Å; F651-H1052 WeakPolarHBondContact CD1-CE1 3.25Å; F651-H1052 AromaticContact CD1-CG 3.99Å; F651-H1052 AromaticContact CD1-ND1 3.81Å; F651-H1052 AromaticContact CD1-NE2 3.49Å; F651-H1052 WeakPolarHBondContact CD1-NE2 3.4Å; F651-H1052 AromaticContact CE1-CE1 3.94Å; F651-H1052 AromaticContact CE1-NE2 3.66Å; G1050-H1052 PolarHBondContact O-CE1 3.41Å; G1050-H1052 VanDerWaalsContact O-CE1 3.29Å; G1050-H1052 PolarHBondContact O-N 3.36Å; G1050-H1052 PolarHBondContact O-ND1 2.8Å; H1052-L1091 WeakPolarHBondContact O-CD2 3.42Å; H1052-I1092 PolarHBondContact O-N 3.1Å | ||
| 1053 | G | 64.8 | Low | 65.9 | Low | 11 Ų | 11 | 54.1 Ų | 54.1 | 11% | 0.113 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.3 | 162.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y654 R1090 | Y654-G1053 PolarHBondContact N-O 3.32Å; G1053-R1090 CarbonylContact C-O 3.53Å; G1053-R1090 VanDerWaalsContact CA-O 3.24Å; G1053-R1090 WeakPolarHBondContact CA-O 3.37Å |
| 1054 | A | 70.7 | Confident | 66.1 | Low | 2 Ų | 2 | 61.1 Ų | 61.1 | 2% | 0.017 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 147.9 | 168.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | Y654 V656 L1043 L1046 F1074 A1089 R1090 I1092 | Y654-A1054 WeakPolarHBondContact O-CA 3.42Å; V656-A1054 HydrophobicContact CB-CB 4.37Å; V656-A1054 HydrophobicContact CG2-CB 3.64Å; L1043-A1054 HydrophobicContact CD2-CB 4.42Å; L1046-A1054 HydrophobicContact CD1-CB 4.26Å; A1054-F1074 HydrophobicContact CB-CE1 4.32Å; A1054-F1074 HydrophobicContact CB-CZ 3.8Å; A1054-A1089 CarbonylContact O-C 3.55Å; A1054-A1089 WeakPolarHBondContact O-CA 3.38Å; A1054-R1090 PolarHBondContact N-O 3.23Å; A1054-R1090 PolarHBondContact O-N 3.12Å; A1054-R1090 VanDerWaalsContact O-O 3.05Å; A1054-I1092 HydrophobicContact CB-CD1 4.16Å |
| 1055 | H | 80.3 | Confident | 66.6 | Low | 54 Ų | 54 | 63.2 Ų | 63.2 | 25% | 0.25 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 157.9 | 172 | 68.4 | -65.1 | 0 | 0 | 0 | 111 | Y654 I655 V656 L1088 A1089 | Y654-H1055 PolarHBondContact O-N 3.18Å; Y654-H1055 PolarHBondContact O-ND1 3.45Å; Y654-H1055 VanDerWaalsContact O-ND1 3.07Å; I655-H1055 VanDerWaalsContact CA-O 3.31Å; I655-H1055 WeakPolarHBondContact CA-O 3.26Å; I655-H1055 WeakPolarHBondContact CG1-CE1 3.39Å; I655-H1055 WeakPolarHBondContact CG1-NE2 3.27Å; V656-H1055 PolarHBondContact N-O 3.5Å; H1055-L1088 CarbonylContact C-O 3.06Å; H1055-L1088 VanDerWaalsContact CA-O 3.31Å; H1055-L1088 WeakPolarHBondContact CA-O 3.4Å; H1055-A1089 HydrophobicContact CB-CB 3.84Å |
| 1056 | V | 80.1 | Confident | 67.3 | Low | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 140.6 | 174.1 | 67.6 | 0 | 0 | 0 | 0 | 108.6 | V656 R657 L1058 Y1069 F1074 V1087 L1088 | V656-V1056 WeakPolarHBondContact O-CB 3.46Å; V656-V1056 WeakPolarHBondContact O-CG2 3.46Å; R657-V1056 HydrophobicContact CB-CG2 4.22Å; V1056-L1058 HydrophobicContact CG1-CD1 4.45Å; V1056-L1058 HydrophobicContact CG1-CG 4.23Å; V1056-L1058 HydrophobicContact CG2-CD2 3.75Å; V1056-L1058 HydrophobicContact CG2-CG 4.11Å; V1056-Y1069 HydrophobicContact CB-CD1 4.31Å; V1056-Y1069 HydrophobicContact CB-CE1 3.95Å; V1056-Y1069 HydrophobicContact CG1-CD1 3.7Å; V1056-Y1069 HydrophobicContact CG1-CD2 4.1Å; V1056-Y1069 HydrophobicContact CG1-CE1 3.85Å; V1056-Y1069 HydrophobicContact CG1-CE2 4.28Å; V1056-Y1069 HydrophobicContact CG1-CG 3.84Å; V1056-Y1069 HydrophobicContact CG2-CE1 4.14Å; V1056-Y1069 HydrophobicContact CG2-CE2 3.98Å; V1056-F1074 HydrophobicContact CB-CE1 4.42Å; V1056-F1074 HydrophobicContact CG1-CD1 3.9Å; V1056-F1074 HydrophobicContact CG1-CE1 4.27Å; V1056-V1087 WeakPolarHBondContact O-CA 3.42Å; V1056-L1088 HydrophobicContact CG1-CB 3.82Å; V1056-L1088 HydrophobicContact CG1-CD1 4.15Å; V1056-L1088 HydrophobicContact CG1-CG 4.45Å; V1056-L1088 PolarHBondContact N-O 3.07Å; V1056-L1088 PolarHBondContact O-N 2.97Å |
| 1057 | Q | 81.7 | Confident | 67.7 | Low | 108 Ų | 108 | 65.9 Ų | 65.9 | 51% | 0.505 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 122.9 | 169.5 | -172.7 | 176 | 6.4 | 0 | 0 | 107.9 | T1085 V1087 | Q1057-T1085 HydrophobicContact CG-CG2 4.28Å; Q1057-T1085 PolarHBondContact NE2-OG1 3.4Å; Q1057-T1085 VanDerWaalsContact NE2-OG1 3.13Å; Q1057-V1087 HydrophobicContact CB-CG2 4.4Å; Q1057-V1087 HydrophobicContact CG-CG2 4.15Å |
| 1058 | L | 79.1 | Confident | 68.1 | Low | 10 Ų | 10 | 62.2 Ų | 62.2 | 5% | 0.052 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 142.6 | 179.5 | -59.8 | 177.1 | 0 | 0 | 0 | 109.2 | V1056 R1065 A1066 Y1069 T1085 T1086 L1088 | V1056-L1058 HydrophobicContact CG1-CD1 4.45Å; V1056-L1058 HydrophobicContact CG1-CG 4.23Å; V1056-L1058 HydrophobicContact CG2-CD2 3.75Å; V1056-L1058 HydrophobicContact CG2-CG 4.11Å; L1058-R1065 HydrophobicContact CD1-CB 4.23Å; L1058-R1065 HydrophobicContact CD2-CB 4.31Å; L1058-A1066 HydrophobicContact CD1-CB 3.95Å; L1058-Y1069 HydrophobicContact CD1-CD2 4.01Å; L1058-Y1069 HydrophobicContact CD2-CD2 4.4Å; L1058-Y1069 HydrophobicContact CD2-CE2 4.21Å; L1058-T1085 CarbonylContact O-C 3.48Å; L1058-T1085 VanDerWaalsContact O-CA 3.3Å; L1058-T1085 WeakPolarHBondContact O-CA 3.47Å; L1058-T1086 PolarHBondContact N-O 2.9Å; L1058-T1086 PolarHBondContact O-N 3.38Å; L1058-L1088 HydrophobicContact CD1-CD1 3.53Å; L1058-L1088 HydrophobicContact CG-CD1 4.5Å |
| 1059 | D | 75.9 | Confident | 68.8 | Low | 101 Ų | 101 | 57.2 Ų | 57.2 | 54% | 0.54 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 140.3 | 170 | -61.3 | -30.4 | 0 | 0 | 0 | 109.3 | I1061 N1062 Q1084 | D1059-I1061 PolarHBondContact O-N 3.26Å; D1059-N1062 PolarHBondContact O-N 3.37Å; D1059-Q1084 WeakPolarHBondContact CA-O 3.3Å |
| 1060 | T | 66.3 | Low | 69.7 | Low | 64 Ų | 64 | 59 Ų | 59 | 39% | 0.393 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -16.1 | -176.9 | 44.4 | 0 | 0 | 0 | 0 | 114 | N1062 E1083 Q1084 | T1060-N1062 VanDerWaalsContact C-N 3.29Å; T1060-N1062 PolarHBondContact O-N 3.2Å; T1060-E1083 WeakPolarHBondContact CG2-O 3.35Å; T1060-E1083 PolarHBondContact OG1-O 3.03Å; T1060-Q1084 PolarHBondContact N-O 3.02Å; T1060-Q1084 PolarHBondContact OG1-O 3.42Å |
| 1061 | I | 67.6 | Low | 70.3 | Confident | 162 Ų | 162 | 63.7 Ų | 63.7 | 83% | 0.831 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -19.2 | 176.8 | -55.7 | 171.7 | 0 | 0 | 0 | 111.7 | D1059 E1063 | D1059-I1061 PolarHBondContact O-N 3.26Å; I1061-E1063 PolarHBondContact O-N 3.01Å |
| 1062 | N | 67.4 | Low | 70.7 | Confident | 60 Ų | 60 | 64.1 Ų | 64.1 | 32% | 0.321 | 30% | 0.304 | S | S | . | . | trans | -102.6 | 55.8 | -170.3 | -152.4 | -27.8 | 0 | 0 | 0 | 113.7 | D1059 T1060 H1064 R1065 A1066 | D1059-N1062 PolarHBondContact O-N 3.37Å; T1060-N1062 VanDerWaalsContact C-N 3.29Å; T1060-N1062 PolarHBondContact O-N 3.2Å; N1062-H1064 PolarHBondContact O-N 3.46Å; N1062-R1065 HydrophobicContact CB-CB 4.5Å; N1062-R1065 WeakPolarHBondContact ND2-CD 3.3Å; N1062-R1065 PolarHBondContact O-N 3.41Å; N1062-R1065 VanDerWaalsContact O-N 3.11Å; N1062-R1065 WeakPolarHBondContact OD1-CB 3.44Å; N1062-R1065 WeakPolarHBondContact OD1-CG 3.5Å; N1062-R1065 PolarHBondContact OD1-N 2.93Å; N1062-A1066 PolarHBondContact O-N 3.41Å; N1062-A1066 VanDerWaalsContact O-N 3.13Å | ||
| 1063 | E | 70.7 | Confident | 70.8 | Confident | 109 Ų | 109 | 61.1 Ų | 61.1 | 51% | 0.509 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -55.2 | -36.3 | 178 | -100.5 | -67.4 | 147.5 | 0 | 0 | 112.7 | I1061 R1065 A1066 E1067 R1070 | I1061-E1063 PolarHBondContact O-N 3.01Å; E1063-R1065 VanDerWaalsContact C-N 3.32Å; E1063-R1065 PolarHBondContact O-N 2.81Å; E1063-A1066 WeakPolarHBondContact O-CB 3.08Å; E1063-A1066 PolarHBondContact O-N 3.33Å; E1063-A1066 VanDerWaalsContact O-N 3.07Å; E1063-E1067 PolarHBondContact O-N 3.07Å; E1063-R1070 IonicContact OE1-CZ 3.89Å; E1063-R1070 IonicContact OE1-NH1 3.36Å; E1063-R1070 IonicContact OE1-NH2 3.29Å; E1063-R1070 PolarHBondContact OE1-NH2 3.32Å; E1063-R1070 IonicContact OE2-CZ 3.65Å; E1063-R1070 IonicContact OE2-NH1 3.45Å; E1063-R1070 PolarHBondContact OE2-NH1 2.9Å; E1063-R1070 IonicContact OE2-NH2 2.78Å; E1063-R1070 PolarHBondContact OE2-NH2 3.07Å |
| 1064 | H | 69.2 | Low | 71.1 | Confident | 160 Ų | 160 | 60.6 Ų | 60.6 | 74% | 0.741 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -59.8 | -40.1 | 177.4 | -172.4 | -62.9 | 0 | 0 | 0 | 112.5 | N1062 L1068 | N1062-H1064 PolarHBondContact O-N 3.46Å; H1064-L1068 PolarHBondContact O-N 3.19Å |
| 1065 | R | 68.6 | Low | 71.3 | Confident | 90 Ų | 90 | 65.9 Ų | 65.9 | 34% | 0.34 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -72.5 | -36.2 | 174 | -78.1 | -171.5 | 177.6 | 179.2 | -6.7 | 111.8 | L1058 N1062 E1063 E1067 L1068 Y1069 | L1058-R1065 HydrophobicContact CD1-CB 4.23Å; L1058-R1065 HydrophobicContact CD2-CB 4.31Å; N1062-R1065 HydrophobicContact CB-CB 4.5Å; N1062-R1065 WeakPolarHBondContact ND2-CD 3.3Å; N1062-R1065 PolarHBondContact O-N 3.41Å; N1062-R1065 VanDerWaalsContact O-N 3.11Å; N1062-R1065 WeakPolarHBondContact OD1-CB 3.44Å; N1062-R1065 WeakPolarHBondContact OD1-CG 3.5Å; N1062-R1065 PolarHBondContact OD1-N 2.93Å; E1063-R1065 VanDerWaalsContact C-N 3.32Å; E1063-R1065 PolarHBondContact O-N 2.81Å; R1065-E1067 VanDerWaalsContact C-N 3.26Å; R1065-E1067 PolarHBondContact O-N 3.09Å; R1065-L1068 WeakPolarHBondContact O-CB 3.05Å; R1065-L1068 PolarHBondContact O-N 3.13Å; R1065-Y1069 VanDerWaalsContact O-CD2 3.31Å; R1065-Y1069 WeakPolarHBondContact O-CD2 3.38Å; R1065-Y1069 PolarHBondContact O-N 2.85Å |
| 1066 | A | 72.3 | Confident | 71.2 | Confident | 4 Ų | 4 | 66.7 Ų | 66.7 | 3% | 0.033 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.8 | -42.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | L1058 N1062 E1063 Y1069 R1070 L1088 | L1058-A1066 HydrophobicContact CD1-CB 3.95Å; N1062-A1066 PolarHBondContact O-N 3.41Å; N1062-A1066 VanDerWaalsContact O-N 3.13Å; E1063-A1066 WeakPolarHBondContact O-CB 3.08Å; E1063-A1066 PolarHBondContact O-N 3.33Å; E1063-A1066 VanDerWaalsContact O-N 3.07Å; A1066-Y1069 PolarHBondContact O-N 2.97Å; A1066-R1070 VanDerWaalsContact O-CG 3.3Å; A1066-R1070 WeakPolarHBondContact O-CG 2.96Å; A1066-R1070 PolarHBondContact O-N 3.13Å; A1066-L1088 HydrophobicContact CB-CD1 4.13Å |
| 1067 | E | 69.8 | Low | 71.2 | Confident | 76 Ų | 76 | 69 Ų | 69 | 36% | 0.355 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.4 | -42.7 | 175.9 | -168.6 | 53.6 | -148.2 | 0 | 0 | 112.7 | E1063 R1065 Y1069 R1070 R1071 | E1063-E1067 PolarHBondContact O-N 3.07Å; R1065-E1067 VanDerWaalsContact C-N 3.26Å; R1065-E1067 PolarHBondContact O-N 3.09Å; E1067-Y1069 PolarHBondContact O-N 3.21Å; E1067-R1070 WeakPolarHBondContact O-CB 3.41Å; E1067-R1070 PolarHBondContact O-N 3.06Å; E1067-R1070 IonicContact OE2-CZ 2.89Å; E1067-R1070 IonicContact OE2-NH1 2.62Å; E1067-R1070 PolarHBondContact OE2-NH1 2.78Å; E1067-R1071 WeakPolarHBondContact O-CG 3.27Å; E1067-R1071 PolarHBondContact O-N 2.82Å |
| 1068 | L | 67.3 | Low | 70.9 | Confident | 39 Ų | 39 | 69 Ų | 69 | 20% | 0.204 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -57 | -47.4 | 173.2 | -178.4 | 68.5 | 0 | 0 | 0 | 111.9 | H1064 R1065 R1070 R1071 F1072 | H1064-L1068 PolarHBondContact O-N 3.19Å; R1065-L1068 WeakPolarHBondContact O-CB 3.05Å; R1065-L1068 PolarHBondContact O-N 3.13Å; L1068-R1070 PolarHBondContact O-N 3.25Å; L1068-R1071 WeakPolarHBondContact O-CB 3.39Å; L1068-R1071 PolarHBondContact O-N 3.05Å; L1068-F1072 HydrophobicContact CD1-CE1 4.3Å; L1068-F1072 HydrophobicContact CD1-CE2 3.69Å; L1068-F1072 HydrophobicContact CD1-CZ 3.53Å; L1068-F1072 HydrophobicContact CD2-CE2 4.09Å; L1068-F1072 HydrophobicContact CG-CD2 4.19Å; L1068-F1072 HydrophobicContact CG-CE2 3.56Å; L1068-F1072 HydrophobicContact CG-CZ 3.98Å; L1068-F1072 WeakPolarHBondContact O-CD2 3.01Å; L1068-F1072 WeakPolarHBondContact O-CG 3.34Å; L1068-F1072 PolarHBondContact O-N 2.93Å; L1068-F1072 VanDerWaalsContact O-N 3.09Å |
| 1069 | Y | 68.8 | Low | 70.7 | Confident | 1 Ų | 1 | 73.7 Ų | 73.7 | 0% | 0.004 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -66.5 | -35.6 | 177.7 | -86.1 | -81.5 | 0 | 0 | 0 | 112.4 | P658 F1039 V1056 L1058 R1065 A1066 E1067 F1072 G1073 F1074 L1088 | P658-Y1069 VanDerWaalsContact CD-OH 3.3Å; P658-Y1069 WeakPolarHBondContact CD-OH 3.3Å; P658-Y1069 HydrophobicContact CG-CE2 4.38Å; F1039-Y1069 AromaticContact CE2-CE1 3.99Å; F1039-Y1069 HydrophobicContact CE2-CE1 3.99Å; F1039-Y1069 HydrophobicContact CZ-CD1 4.21Å; F1039-Y1069 HydrophobicContact CZ-CE1 4.07Å; V1056-Y1069 HydrophobicContact CB-CD1 4.31Å; V1056-Y1069 HydrophobicContact CB-CE1 3.95Å; V1056-Y1069 HydrophobicContact CG1-CD1 3.7Å; V1056-Y1069 HydrophobicContact CG1-CD2 4.1Å; V1056-Y1069 HydrophobicContact CG1-CE1 3.85Å; V1056-Y1069 HydrophobicContact CG1-CE2 4.28Å; V1056-Y1069 HydrophobicContact CG1-CG 3.84Å; V1056-Y1069 HydrophobicContact CG2-CE1 4.14Å; V1056-Y1069 HydrophobicContact CG2-CE2 3.98Å; L1058-Y1069 HydrophobicContact CD1-CD2 4.01Å; L1058-Y1069 HydrophobicContact CD2-CD2 4.4Å; L1058-Y1069 HydrophobicContact CD2-CE2 4.21Å; R1065-Y1069 VanDerWaalsContact O-CD2 3.31Å; R1065-Y1069 WeakPolarHBondContact O-CD2 3.38Å; R1065-Y1069 PolarHBondContact O-N 2.85Å; A1066-Y1069 PolarHBondContact O-N 2.97Å; E1067-Y1069 PolarHBondContact O-N 3.21Å; Y1069-F1072 CarbonylContact O-C 3.53Å; Y1069-F1072 VanDerWaalsContact O-C 3.27Å; Y1069-F1072 WeakPolarHBondContact O-CA 3.49Å; Y1069-F1072 PolarHBondContact O-N 3.22Å; Y1069-F1072 VanDerWaalsContact O-N 3.08Å; Y1069-G1073 PolarHBondContact O-N 3.44Å; Y1069-F1074 HydrophobicContact CD1-CB 4.42Å; Y1069-F1074 AromaticContact CD1-CD1 3.89Å; Y1069-F1074 HydrophobicContact CD1-CD1 3.89Å; Y1069-F1074 HydrophobicContact CD1-CD2 4.13Å; Y1069-F1074 HydrophobicContact CD1-CE1 4.18Å; Y1069-F1074 AromaticContact CD1-CG 3.87Å; Y1069-F1074 HydrophobicContact CD1-CG 3.87Å; Y1069-F1074 HydrophobicContact CD1-CZ 4.49Å; Y1069-F1074 HydrophobicContact CE1-CE1 4.38Å; Y1069-F1074 WeakPolarHBondContact O-CB 3.46Å; Y1069-F1074 PolarHBondContact O-N 3.15Å; Y1069-L1088 HydrophobicContact CG-CD1 4.38Å |
| 1070 | R | 71 | Confident | 70.6 | Confident | 82 Ų | 82 | 71.3 Ų | 71.3 | 31% | 0.309 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.2 | -42.8 | 172.5 | -69.7 | 172.5 | -159.7 | 133.1 | -0.7 | 111.5 | E1063 A1066 E1067 L1068 F1072 G1073 F1074 L1088 | E1063-R1070 IonicContact OE1-CZ 3.89Å; E1063-R1070 IonicContact OE1-NH1 3.36Å; E1063-R1070 IonicContact OE1-NH2 3.29Å; E1063-R1070 PolarHBondContact OE1-NH2 3.32Å; E1063-R1070 IonicContact OE2-CZ 3.65Å; E1063-R1070 IonicContact OE2-NH1 3.45Å; E1063-R1070 PolarHBondContact OE2-NH1 2.9Å; E1063-R1070 IonicContact OE2-NH2 2.78Å; E1063-R1070 PolarHBondContact OE2-NH2 3.07Å; A1066-R1070 VanDerWaalsContact O-CG 3.3Å; A1066-R1070 WeakPolarHBondContact O-CG 2.96Å; A1066-R1070 PolarHBondContact O-N 3.13Å; E1067-R1070 WeakPolarHBondContact O-CB 3.41Å; E1067-R1070 PolarHBondContact O-N 3.06Å; E1067-R1070 IonicContact OE2-CZ 2.89Å; E1067-R1070 IonicContact OE2-NH1 2.62Å; E1067-R1070 PolarHBondContact OE2-NH1 2.78Å; L1068-R1070 PolarHBondContact O-N 3.25Å; R1070-F1072 PolarHBondContact O-N 3.08Å; R1070-G1073 PolarHBondContact O-N 3.32Å; R1070-F1074 WeakPolarHBondContact CA-O 3.36Å; R1070-L1088 HydrophobicContact CG-CD2 4.46Å |
| 1071 | R | 65.7 | Low | 71 | Confident | 136 Ų | 136 | 70 Ų | 70 | 51% | 0.513 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.2 | -24.7 | 172.1 | -69.2 | 178 | -175.3 | -172.2 | 1.6 | 113.2 | D1032 R1036 E1067 L1068 G1073 | D1032-R1071 IonicContact OD2-NH1 3.28Å; D1032-R1071 PolarHBondContact OD2-NH1 3.46Å; R1036-R1071 PolarHBondContact NH2-O 3.2Å; E1067-R1071 WeakPolarHBondContact O-CG 3.27Å; E1067-R1071 PolarHBondContact O-N 2.82Å; L1068-R1071 WeakPolarHBondContact O-CB 3.39Å; L1068-R1071 PolarHBondContact O-N 3.05Å; R1071-G1073 VanDerWaalsContact C-N 3.35Å |
| 1072 | F | 64.6 | Low | 71.7 | Confident | 9 Ų | 9 | 66.7 Ų | 66.7 | 4% | 0.039 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 15.7 | 170.1 | -58.4 | -30.6 | 0 | 0 | 0 | 113.9 | A1035 R1036 F1039 L1068 Y1069 R1070 F1074 R1090 | A1035-F1072 HydrophobicContact CB-CZ 3.82Å; R1036-F1072 VanDerWaalsContact CA-CE1 3.48Å; R1036-F1072 HydrophobicContact CB-CD1 4.32Å; R1036-F1072 HydrophobicContact CB-CE1 3.65Å; R1036-F1072 HydrophobicContact CB-CZ 4.49Å; R1036-F1072 HydrophobicContact CG-CD1 4.09Å; R1036-F1072 HydrophobicContact CG-CE1 3.91Å; F1039-F1072 HydrophobicContact CD1-CB 3.72Å; F1039-F1072 HydrophobicContact CD1-CD2 4.22Å; F1039-F1072 AromaticContact CD1-CG 3.99Å; F1039-F1072 HydrophobicContact CD1-CG 3.99Å; F1039-F1072 HydrophobicContact CD2-CD2 4.22Å; F1039-F1072 HydrophobicContact CE1-CB 3.54Å; F1039-F1072 HydrophobicContact CE1-CD2 4.33Å; F1039-F1072 HydrophobicContact CE1-CG 4.19Å; F1039-F1072 HydrophobicContact CE2-CD2 4.38Å; F1039-F1072 HydrophobicContact CG-CB 4.44Å; F1039-F1072 HydrophobicContact CG-CD2 4.11Å; F1039-F1072 HydrophobicContact CG-CG 4.25Å; F1039-F1072 HydrophobicContact CZ-CB 4.19Å; F1039-F1072 HydrophobicContact CZ-CD2 4.38Å; L1068-F1072 HydrophobicContact CD1-CE1 4.3Å; L1068-F1072 HydrophobicContact CD1-CE2 3.69Å; L1068-F1072 HydrophobicContact CD1-CZ 3.53Å; L1068-F1072 HydrophobicContact CD2-CE2 4.09Å; L1068-F1072 HydrophobicContact CG-CD2 4.19Å; L1068-F1072 HydrophobicContact CG-CE2 3.56Å; L1068-F1072 HydrophobicContact CG-CZ 3.98Å; L1068-F1072 WeakPolarHBondContact O-CD2 3.01Å; L1068-F1072 WeakPolarHBondContact O-CG 3.34Å; L1068-F1072 PolarHBondContact O-N 2.93Å; L1068-F1072 VanDerWaalsContact O-N 3.09Å; Y1069-F1072 CarbonylContact O-C 3.53Å; Y1069-F1072 VanDerWaalsContact O-C 3.27Å; Y1069-F1072 WeakPolarHBondContact O-CA 3.49Å; Y1069-F1072 PolarHBondContact O-N 3.22Å; Y1069-F1072 VanDerWaalsContact O-N 3.08Å; R1070-F1072 PolarHBondContact O-N 3.08Å; F1072-F1074 PolarHBondContact O-N 3.5Å; F1072-R1090 WeakPolarHBondContact O-CD 3.3Å; F1072-R1090 PolarHBondContact O-NH1 2.77Å |
| 1073 | G | 64.2 | Low | 72.1 | Confident | 5 Ų | 5 | 73 Ų | 73 | 5% | 0.052 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 73.2 | 21.4 | 174 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y1069 R1070 R1071 Y1075 R1090 | Y1069-G1073 PolarHBondContact O-N 3.44Å; R1070-G1073 PolarHBondContact O-N 3.32Å; R1071-G1073 VanDerWaalsContact C-N 3.35Å; G1073-Y1075 WeakPolarHBondContact O-CD2 3.38Å; G1073-Y1075 WeakPolarHBondContact O-CE2 3.4Å; G1073-R1090 WeakPolarHBondContact O-CB 3.49Å; G1073-R1090 WeakPolarHBondContact O-CD 3.37Å; G1073-R1090 WeakPolarHBondContact O-CG 3.23Å |
| 1074 | F | 71.2 | Confident | 72.5 | Confident | 1 Ų | 1 | 74.9 Ų | 74.9 | 0% | 0.004 | 39% | 0.388 | C | S | . | . | trans | -86.6 | 131 | 167.9 | -80.4 | -125.5 | 0 | 0 | 0 | 109.7 | F1039 A1054 V1056 Y1069 R1070 F1072 L1088 R1090 | F1039-F1074 AromaticContact CE1-CD2 3.83Å; F1039-F1074 HydrophobicContact CE1-CD2 3.83Å; F1039-F1074 AromaticContact CE1-CE2 3.29Å; F1039-F1074 HydrophobicContact CE1-CE2 3.29Å; F1039-F1074 HydrophobicContact CE1-CZ 4.17Å; F1039-F1074 HydrophobicContact CE2-CE2 4.33Å; F1039-F1074 AromaticContact CZ-CD2 3.73Å; F1039-F1074 HydrophobicContact CZ-CD2 3.73Å; F1039-F1074 AromaticContact CZ-CE2 3.06Å; F1039-F1074 HydrophobicContact CZ-CE2 3.06Å; F1039-F1074 AromaticContact CZ-CZ 3.53Å; F1039-F1074 HydrophobicContact CZ-CZ 3.53Å; A1054-F1074 HydrophobicContact CB-CE1 4.32Å; A1054-F1074 HydrophobicContact CB-CZ 3.8Å; V1056-F1074 HydrophobicContact CB-CE1 4.42Å; V1056-F1074 HydrophobicContact CG1-CD1 3.9Å; V1056-F1074 HydrophobicContact CG1-CE1 4.27Å; Y1069-F1074 HydrophobicContact CD1-CB 4.42Å; Y1069-F1074 AromaticContact CD1-CD1 3.89Å; Y1069-F1074 HydrophobicContact CD1-CD1 3.89Å; Y1069-F1074 HydrophobicContact CD1-CD2 4.13Å; Y1069-F1074 HydrophobicContact CD1-CE1 4.18Å; Y1069-F1074 AromaticContact CD1-CG 3.87Å; Y1069-F1074 HydrophobicContact CD1-CG 3.87Å; Y1069-F1074 HydrophobicContact CD1-CZ 4.49Å; Y1069-F1074 HydrophobicContact CE1-CE1 4.38Å; Y1069-F1074 WeakPolarHBondContact O-CB 3.46Å; Y1069-F1074 PolarHBondContact O-N 3.15Å; R1070-F1074 WeakPolarHBondContact CA-O 3.36Å; F1072-F1074 PolarHBondContact O-N 3.5Å; F1074-L1088 HydrophobicContact CB-CB 3.85Å; F1074-L1088 HydrophobicContact CD1-CB 4.25Å; F1074-R1090 HydrophobicContact CB-CB 4.45Å; F1074-R1090 HydrophobicContact CD1-CB 4.22Å; F1074-R1090 HydrophobicContact CD2-CB 3.31Å; F1074-R1090 HydrophobicContact CD2-CG 4.16Å; F1074-R1090 HydrophobicContact CE1-CB 4.28Å; F1074-R1090 HydrophobicContact CE2-CB 3.25Å; F1074-R1090 HydrophobicContact CE2-CG 4.06Å; F1074-R1090 HydrophobicContact CG-CB 3.76Å; F1074-R1090 HydrophobicContact CZ-CB 3.82Å | ||
| 1075 | Y | 76.5 | Confident | 73 | Confident | 112 Ų | 112 | 68 Ų | 68 | 44% | 0.439 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 142.9 | -178.8 | -63.1 | -86.6 | 0 | 0 | 0 | 110.6 | S605 G1073 L1088 A1089 | S605-Y1075 WeakPolarHBondContact OG-CE2 3.11Å; G1073-Y1075 WeakPolarHBondContact O-CD2 3.38Å; G1073-Y1075 WeakPolarHBondContact O-CE2 3.4Å; Y1075-L1088 CarbonylContact O-C 3.59Å; Y1075-L1088 VanDerWaalsContact O-CA 3.27Å; Y1075-L1088 WeakPolarHBondContact O-CA 3.31Å; Y1075-A1089 PolarHBondContact N-O 3.49Å; Y1075-A1089 PolarHBondContact O-N 2.9Å |
| 1076 | P | 77.8 | Confident | 73.5 | Confident | 71 Ų | 71 | 65.3 Ų | 65.3 | 46% | 0.461 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 140 | 174.8 | 24 | -31.5 | 0 | 0 | 0 | 111.3 | P1078 V1087 L1088 | P1076-P1078 WeakPolarHBondContact O-CD 3.17Å; P1076-V1087 WeakPolarHBondContact CA-O 3.37Å; P1076-L1088 HydrophobicContact CB-CD2 3.97Å |
| 1077 | V | 79.3 | Confident | 73.9 | Confident | 49 Ų | 49 | 65.7 Ų | 65.7 | 30% | 0.297 | 35% | 0.353 | S | S | . | . | trans | -110.9 | 92.2 | 174.7 | -174.8 | 0 | 0 | 0 | 0 | 107.4 | A1079 A1080 S1081 V1087 A1089 | V1077-A1079 PolarHBondContact O-N 3Å; V1077-A1080 HydrophobicContact CB-CB 4.21Å; V1077-A1080 HydrophobicContact CG1-CB 3.84Å; V1077-A1080 PolarHBondContact O-N 3.49Å; V1077-S1081 PolarHBondContact O-N 3.23Å; V1077-S1081 VanDerWaalsContact O-N 3.13Å; V1077-S1081 PolarHBondContact O-OG 2.85Å; V1077-V1087 HydrophobicContact CB-CG1 4.34Å; V1077-V1087 PolarHBondContact N-O 2.75Å; V1077-A1089 HydrophobicContact CG2-CB 3.5Å | ||
| 1078 | P | 75.6 | Confident | 74.3 | Confident | 108 Ų | 108 | 62 Ų | 62 | 70% | 0.701 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -57.5 | -38 | -174.2 | -25.9 | 34.6 | 0 | 0 | 0 | 112.7 | P1076 A1080 S1081 | P1076-P1078 WeakPolarHBondContact O-CD 3.17Å; P1078-A1080 PolarHBondContact O-N 3.04Å; P1078-S1081 PolarHBondContact O-N 3.37Å |
| 1079 | A | 74.4 | Confident | 74.7 | Confident | 109 Ų | 109 | 61.6 Ų | 61.6 | 90% | 0.901 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | -66.7 | -20.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | V1077 | V1077-A1079 PolarHBondContact O-N 3Š|
| 1080 | A | 73.7 | Confident | 74.7 | Confident | 51 Ų | 51 | 64.4 Ų | 64.4 | 42% | 0.421 | 35% | 0.348 | S | S | . | . | G | 310 helix | trans | -104.8 | -6.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | V1077 P1078 V1087 | V1077-A1080 HydrophobicContact CB-CB 4.21Å; V1077-A1080 HydrophobicContact CG1-CB 3.84Å; V1077-A1080 PolarHBondContact O-N 3.49Å; P1078-A1080 PolarHBondContact O-N 3.04Å; A1080-V1087 HydrophobicContact CB-CB 3.9Å; A1080-V1087 HydrophobicContact CB-CG1 3.98Å; A1080-V1087 HydrophobicContact CB-CG2 3.99Å; A1080-V1087 WeakPolarHBondContact O-CG2 3.18Å |
| 1081 | S | 76.3 | Confident | 74.4 | Confident | 36 Ų | 36 | 63.4 Ų | 63.4 | 25% | 0.252 | 35% | 0.349 | S | S | . | . | trans | -90.8 | 148.4 | -180 | -56.3 | 0 | 0 | 0 | 0 | 110.5 | V1077 P1078 T1085 V1087 | V1077-S1081 PolarHBondContact O-N 3.23Å; V1077-S1081 VanDerWaalsContact O-N 3.13Å; V1077-S1081 PolarHBondContact O-OG 2.85Å; P1078-S1081 PolarHBondContact O-N 3.37Å; S1081-T1085 CarbonylContact C-O 3.35Å; S1081-T1085 WeakPolarHBondContact CA-O 3.49Å; S1081-V1087 PolarHBondContact OG-N 3.31Å | ||
| 1082 | N | 80.6 | Confident | 74 | Confident | 93 Ų | 93 | 58 Ų | 58 | 50% | 0.497 | 33% | 0.33 | S | S | . | . | trans | -132.8 | 179.9 | 173.9 | 65.6 | 41.9 | 0 | 0 | 0 | 109.7 | Q1084 T1085 | N1082-Q1084 PolarHBondContact O-N 2.97Å; N1082-Q1084 PolarHBondContact OD1-N 3.13Å; N1082-T1085 VanDerWaalsContact CG-OG1 3.32Å; N1082-T1085 PolarHBondContact N-O 3.46Å; N1082-T1085 PolarHBondContact ND2-OG1 3.26Å; N1082-T1085 VanDerWaalsContact ND2-OG1 3.13Å; N1082-T1085 PolarHBondContact O-N 3.44Å; N1082-T1085 PolarHBondContact OD1-N 3.01Å; N1082-T1085 PolarHBondContact OD1-OG1 3.38Å; N1082-T1085 VanDerWaalsContact OD1-OG1 3.06Å | ||
| 1083 | E | 76.8 | Confident | 74.5 | Confident | 191 Ų | 191 | 60.5 Ų | 60.5 | 89% | 0.893 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -58.5 | -23.4 | -176.8 | -64.9 | -175.3 | 171.8 | 0 | 0 | 114.3 | T1060 | T1060-E1083 WeakPolarHBondContact CG2-O 3.35Å; T1060-E1083 PolarHBondContact OG1-O 3.03Å |
| 1084 | Q | 78.5 | Confident | 75 | Confident | 150 Ų | 150 | 63.4 Ų | 63.4 | 70% | 0.701 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -104.1 | -24.2 | -177 | -65.3 | -177.8 | -10 | 0 | 0 | 113.2 | D1059 T1060 N1082 | D1059-Q1084 WeakPolarHBondContact CA-O 3.3Å; T1060-Q1084 PolarHBondContact N-O 3.02Å; T1060-Q1084 PolarHBondContact OG1-O 3.42Å; N1082-Q1084 PolarHBondContact O-N 2.97Å; N1082-Q1084 PolarHBondContact OD1-N 3.13Å |
| 1085 | T | 79.9 | Confident | 75.2 | Confident | 15 Ų | 15 | 66.9 Ų | 66.9 | 9% | 0.092 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 126.1 | -174.1 | 64.4 | 0 | 0 | 0 | 0 | 112.4 | Q1057 L1058 S1081 N1082 | Q1057-T1085 HydrophobicContact CG-CG2 4.28Å; Q1057-T1085 PolarHBondContact NE2-OG1 3.4Å; Q1057-T1085 VanDerWaalsContact NE2-OG1 3.13Å; L1058-T1085 CarbonylContact O-C 3.48Å; L1058-T1085 VanDerWaalsContact O-CA 3.3Å; L1058-T1085 WeakPolarHBondContact O-CA 3.47Å; S1081-T1085 CarbonylContact C-O 3.35Å; S1081-T1085 WeakPolarHBondContact CA-O 3.49Å; N1082-T1085 VanDerWaalsContact CG-OG1 3.32Å; N1082-T1085 PolarHBondContact N-O 3.46Å; N1082-T1085 PolarHBondContact ND2-OG1 3.26Å; N1082-T1085 VanDerWaalsContact ND2-OG1 3.13Å; N1082-T1085 PolarHBondContact O-N 3.44Å; N1082-T1085 PolarHBondContact OD1-N 3.01Å; N1082-T1085 PolarHBondContact OD1-OG1 3.38Å; N1082-T1085 VanDerWaalsContact OD1-OG1 3.06Å |
| 1086 | T | 79.6 | Confident | 75.1 | Confident | 33 Ų | 33 | 64.2 Ų | 64.2 | 20% | 0.202 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 122.1 | 171.3 | -56.1 | 0 | 0 | 0 | 0 | 109.2 | L1058 L1088 | L1058-T1086 PolarHBondContact N-O 2.9Å; L1058-T1086 PolarHBondContact O-N 3.38Å; T1086-L1088 HydrophobicContact CG2-CD2 4.35Å; T1086-L1088 HydrophobicContact CG2-CG 4.4Å |
| 1087 | V | 80.6 | Confident | 75 | Confident | 12 Ų | 12 | 63.8 Ų | 63.8 | 7% | 0.073 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 122.4 | 172.8 | 177.8 | 0 | 0 | 0 | 0 | 108.6 | V1056 Q1057 P1076 V1077 A1080 S1081 | V1056-V1087 WeakPolarHBondContact O-CA 3.42Å; Q1057-V1087 HydrophobicContact CB-CG2 4.4Å; Q1057-V1087 HydrophobicContact CG-CG2 4.15Å; P1076-V1087 WeakPolarHBondContact CA-O 3.37Å; V1077-V1087 HydrophobicContact CB-CG1 4.34Å; V1077-V1087 PolarHBondContact N-O 2.75Å; A1080-V1087 HydrophobicContact CB-CB 3.9Å; A1080-V1087 HydrophobicContact CB-CG1 3.98Å; A1080-V1087 HydrophobicContact CB-CG2 3.99Å; A1080-V1087 WeakPolarHBondContact O-CG2 3.18Å; S1081-V1087 PolarHBondContact OG-N 3.31Å |
| 1088 | L | 77.9 | Confident | 74.7 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 140.5 | 170.2 | -52.5 | 157.1 | 0 | 0 | 0 | 108.5 | H1055 V1056 L1058 A1066 Y1069 R1070 F1074 Y1075 P1076 T1086 | H1055-L1088 CarbonylContact C-O 3.06Å; H1055-L1088 VanDerWaalsContact CA-O 3.31Å; H1055-L1088 WeakPolarHBondContact CA-O 3.4Å; V1056-L1088 HydrophobicContact CG1-CB 3.82Å; V1056-L1088 HydrophobicContact CG1-CD1 4.15Å; V1056-L1088 HydrophobicContact CG1-CG 4.45Å; V1056-L1088 PolarHBondContact N-O 3.07Å; V1056-L1088 PolarHBondContact O-N 2.97Å; L1058-L1088 HydrophobicContact CD1-CD1 3.53Å; L1058-L1088 HydrophobicContact CG-CD1 4.5Å; A1066-L1088 HydrophobicContact CB-CD1 4.13Å; Y1069-L1088 HydrophobicContact CG-CD1 4.38Å; R1070-L1088 HydrophobicContact CG-CD2 4.46Å; F1074-L1088 HydrophobicContact CB-CB 3.85Å; F1074-L1088 HydrophobicContact CD1-CB 4.25Å; Y1075-L1088 CarbonylContact O-C 3.59Å; Y1075-L1088 VanDerWaalsContact O-CA 3.27Å; Y1075-L1088 WeakPolarHBondContact O-CA 3.31Å; P1076-L1088 HydrophobicContact CB-CD2 3.97Å; T1086-L1088 HydrophobicContact CG2-CD2 4.35Å; T1086-L1088 HydrophobicContact CG2-CG 4.4Å |
| 1089 | A | 76.2 | Confident | 74.6 | Confident | 29 Ų | 29 | 61.7 Ų | 61.7 | 24% | 0.24 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 148 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | A1054 H1055 Y1075 V1077 | A1054-A1089 CarbonylContact O-C 3.55Å; A1054-A1089 WeakPolarHBondContact O-CA 3.38Å; H1055-A1089 HydrophobicContact CB-CB 3.84Å; Y1075-A1089 PolarHBondContact N-O 3.49Å; Y1075-A1089 PolarHBondContact O-N 2.9Å; V1077-A1089 HydrophobicContact CG2-CB 3.5Å |
| 1090 | R | 68.9 | Low | 74.6 | Confident | 60 Ų | 60 | 58.1 Ų | 58.1 | 23% | 0.226 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 135.1 | 171.8 | -179.4 | 172.4 | -179.5 | 178.2 | -2.2 | 109 | L1043 G1053 A1054 F1072 G1073 F1074 | L1043-R1090 VanDerWaalsContact CD1-CZ 3.41Å; G1053-R1090 CarbonylContact C-O 3.53Å; G1053-R1090 VanDerWaalsContact CA-O 3.24Å; G1053-R1090 WeakPolarHBondContact CA-O 3.37Å; A1054-R1090 PolarHBondContact N-O 3.23Å; A1054-R1090 PolarHBondContact O-N 3.12Å; A1054-R1090 VanDerWaalsContact O-O 3.05Å; F1072-R1090 WeakPolarHBondContact O-CD 3.3Å; F1072-R1090 PolarHBondContact O-NH1 2.77Å; G1073-R1090 WeakPolarHBondContact O-CB 3.49Å; G1073-R1090 WeakPolarHBondContact O-CD 3.37Å; G1073-R1090 WeakPolarHBondContact O-CG 3.23Å; F1074-R1090 HydrophobicContact CB-CB 4.45Å; F1074-R1090 HydrophobicContact CD1-CB 4.22Å; F1074-R1090 HydrophobicContact CD2-CB 3.31Å; F1074-R1090 HydrophobicContact CD2-CG 4.16Å; F1074-R1090 HydrophobicContact CE1-CB 4.28Å; F1074-R1090 HydrophobicContact CE2-CB 3.25Å; F1074-R1090 HydrophobicContact CE2-CG 4.06Å; F1074-R1090 HydrophobicContact CG-CB 3.76Å; F1074-R1090 HydrophobicContact CZ-CB 3.82Å |
| 1091 | L | 63.9 | Low | 74.7 | Confident | 62 Ų | 62 | 58.7 Ų | 58.7 | 33% | 0.325 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 141.4 | 171.7 | -59.5 | 141.8 | 0 | 0 | 0 | 109.6 | S605 R606 H1052 | S605-L1091 VanDerWaalsContact CB-N 3.31Å; S605-L1091 WeakPolarHBondContact O-CD1 3.49Å; R606-L1091 HydrophobicContact CB-CB 3.56Å; R606-L1091 HydrophobicContact CB-CD1 3.74Å; R606-L1091 HydrophobicContact CB-CD2 4.15Å; R606-L1091 HydrophobicContact CB-CG 3.98Å; R606-L1091 HydrophobicContact CG-CB 3.51Å; R606-L1091 HydrophobicContact CG-CG 4.4Å; R606-L1091 WeakPolarHBondContact O-CD1 3.44Å; H1052-L1091 WeakPolarHBondContact O-CD2 3.42Å |
| 1092 | I | 57.6 | Low | 74.6 | Confident | 23 Ų | 23 | 60.7 Ų | 60.7 | 12% | 0.118 | 31% | 0.306 | C | S | . | . | trans | -91.9 | 0 | -167.5 | -64.7 | 177.7 | 0 | 0 | 0 | 112.7 | R567 R606 L1043 L1046 K1047 A1051 H1052 A1054 | R567-I1092 PolarHBondContact NH2-OXT 3.48Å; R606-I1092 PolarHBondContact NE-O 3.3Å; R606-I1092 PolarHBondContact NH2-O 3.35Å; L1043-I1092 HydrophobicContact CD2-CD1 4Å; L1043-I1092 HydrophobicContact CD2-CG1 4Å; L1043-I1092 WeakPolarHBondContact O-CG2 3.42Å; L1046-I1092 HydrophobicContact CB-CD1 3.53Å; L1046-I1092 HydrophobicContact CD1-CD1 3.73Å; L1046-I1092 HydrophobicContact CG-CD1 4.27Å; K1047-I1092 HydrophobicContact CB-CG2 3.57Å; K1047-I1092 HydrophobicContact CD-CG2 4.46Å; K1047-I1092 HydrophobicContact CG-CG2 4Å; A1051-I1092 HydrophobicContact CB-CD1 4.08Å; H1052-I1092 PolarHBondContact O-N 3.1Å; A1054-I1092 HydrophobicContact CB-CD1 4.16Å |
Retrieved 1,092 of 1,092 residues in 381.6 ms
(Link to these results)