| 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 | 38.7 | Very low | 61.8 | Low | 239 Ų | 239 | 120.4 Ų | 120.4 | 100% | 1.177 | 70% | 0.698 | S | S | * | * | 0 | 100.3 | 0 | -73 | -176.3 | -174.6 | 0 | 0 | 105.4 | A3 | M1-A3 PolarHBondContact O-N 3.05Š| |||
| 2 | D | 39.2 | Very low | 64.7 | Low | 162 Ų | 162 | 113.8 Ų | 113.8 | 87% | 0.866 | 66% | 0.662 | S | S | * | * | trans | -70.6 | 121.2 | -163.3 | -60.1 | -43.8 | 0 | 0 | 0 | 110.7 | S4 | D2-S4 PolarHBondContact O-N 3.4Å; D2-S4 VanDerWaalsContact O-N 3.08Å | ||
| 3 | A | 44.6 | Very low | 67.2 | Low | 99 Ų | 99 | 105 Ų | 105 | 82% | 0.818 | 61% | 0.611 | S | S | * | * | trans | -59.8 | 112.8 | 165.1 | 0 | 0 | 0 | 0 | 0 | 106.7 | M1 S5 | M1-A3 PolarHBondContact O-N 3.05Å; A3-S5 PolarHBondContact O-N 3.5Å | ||
| 4 | S | 50.5 | Low | 69.4 | Low | 111 Ų | 111 | 103.4 Ų | 103.4 | 78% | 0.776 | 59% | 0.59 | S | S | * | * | trans | -52.1 | 117 | 178 | 55.3 | 0 | 0 | 0 | 0 | 108.7 | D2 A6 | D2-S4 PolarHBondContact O-N 3.4Å; D2-S4 VanDerWaalsContact O-N 3.08Å; S4-A6 PolarHBondContact O-N 3.3Å | ||
| 5 | S | 52.9 | Low | 71.2 | Confident | 116 Ų | 116 | 98.9 Ų | 98.9 | 81% | 0.811 | 57% | 0.566 | S | S | * | * | trans | -59.9 | 85.8 | 164.6 | 163.3 | 0 | 0 | 0 | 0 | 107.1 | A3 K7 | A3-S5 PolarHBondContact O-N 3.5Å; S5-K7 PolarHBondContact O-N 3.25Å | ||
| 6 | A | 57.9 | Low | 72.6 | Confident | 72 Ų | 72 | 100.4 Ų | 100.4 | 60% | 0.595 | 56% | 0.559 | S | S | * | * | trans | -51.2 | 115.7 | 170 | 0 | 0 | 0 | 0 | 0 | 106.5 | S4 K8 | S4-A6 PolarHBondContact O-N 3.3Å; A6-K8 PolarHBondContact O-N 3.43Å | ||
| 7 | K | 57.9 | Low | 73.9 | Confident | 195 Ų | 195 | 100.6 Ų | 100.6 | 85% | 0.848 | 56% | 0.56 | S | S | * | * | trans | -57.4 | 107 | -176.6 | -146.9 | 178 | -173.2 | -178.3 | 0 | 106.7 | S5 T9 | S5-K7 PolarHBondContact O-N 3.25Å; K7-T9 PolarHBondContact O-N 3.34Å | ||
| 8 | K | 69.8 | Low | 74.9 | Confident | 135 Ų | 135 | 97.1 Ų | 97.1 | 59% | 0.587 | 54% | 0.539 | S | S | * | . | trans | -62.1 | 110.7 | 177.7 | -76.9 | -169.1 | 175.6 | -163.4 | 0 | 107.7 | A6 P10 D17 | A6-K8 PolarHBondContact O-N 3.43Å; K8-P10 WeakPolarHBondContact O-CD 3.49Å; K8-D17 PolarHBondContact NZ-O 3.4Å | ||
| 9 | T | 81 | Confident | 75.9 | Confident | 52 Ų | 52 | 97.1 Ų | 97.1 | 32% | 0.319 | 54% | 0.541 | S | S | . | . | trans | -68.9 | 118.7 | 171.9 | -54.6 | 0 | 0 | 0 | 0 | 107.8 | K7 H11 Y23 | K7-T9 PolarHBondContact O-N 3.34Å; T9-H11 PolarHBondContact O-N 2.85Å; T9-Y23 HydrophobicContact CG2-CD1 4.22Å | ||
| 10 | P | 91.7 | Very high | 76.8 | Confident | 116 Ų | 116 | 92.9 Ų | 92.9 | 75% | 0.753 | 52% | 0.518 | S | S | * | . | trans | -60.4 | 135.1 | 179.8 | -22.6 | 33.5 | 0 | 0 | 0 | 111.2 | K8 Y23 | K8-P10 WeakPolarHBondContact O-CD 3.49Å; P10-Y23 VanDerWaalsContact O-CD1 3.29Å; P10-Y23 WeakPolarHBondContact O-CD1 3.28Å; P10-Y23 WeakPolarHBondContact O-CE1 3.29Å | ||
| 11 | H | 95.8 | Very high | 77.5 | Confident | 27 Ų | 27 | 93.2 Ų | 93.2 | 13% | 0.125 | 52% | 0.524 | C | S | . | . | trans | -140.8 | 158 | 178.6 | 64.7 | 70.3 | 0 | 0 | 0 | 112 | T9 F13 L18 Y23 | T9-H11 PolarHBondContact O-N 2.85Å; H11-F13 HydrophobicContact CB-CD2 3.83Å; H11-F13 HydrophobicContact CB-CE2 4.23Å; H11-F13 PolarHBondContact CE1-O 3.09Å; H11-F13 AromaticContact CG-CD2 3.97Å; H11-F13 AromaticContact ND1-CD2 3.84Å; H11-F13 PolarHBondContact ND1-N 3.48Å; H11-F13 PolarHBondContact ND1-O 3.09Å; H11-L18 PolarHBondContact NE2-O 3.15Å; H11-Y23 HydrophobicContact CB-CD1 3.63Å; H11-Y23 HydrophobicContact CB-CE1 3.74Å; H11-Y23 HydrophobicContact CB-CG 4.07Å | ||
| 12 | P | 96.6 | Very high | 80.1 | Confident | 41 Ų | 41 | 85 Ų | 85 | 27% | 0.266 | 49% | 0.49 | S | S | . | . | S | Bend | trans | -85.6 | -6.7 | -177.4 | 34.3 | -36.5 | 0 | 0 | 0 | 114.2 | R16 Y23 K106 | P12-R16 PolarHBondContact O-NH1 3.26Å; P12-Y23 WeakPolarHBondContact CD-OH 3.5Å; P12-K106 HydrophobicContact CB-CG 4.45Å; P12-K106 HydrophobicContact CG-CG 4.16Å |
| 13 | F | 97.6 | Very high | 82.9 | Confident | 0 Ų | 0 | 78.5 Ų | 78.5 | 0% | 0 | 45% | 0.454 | C | S | . | . | trans | -76.7 | 155.3 | -173.5 | -47.4 | -62.1 | 0 | 0 | 0 | 114 | H11 L18 I20 Y23 K102 S105 K106 I112 | H11-F13 HydrophobicContact CB-CD2 3.83Å; H11-F13 HydrophobicContact CB-CE2 4.23Å; H11-F13 PolarHBondContact CE1-O 3.09Å; H11-F13 AromaticContact CG-CD2 3.97Å; H11-F13 AromaticContact ND1-CD2 3.84Å; H11-F13 PolarHBondContact ND1-N 3.48Å; H11-F13 PolarHBondContact ND1-O 3.09Å; F13-L18 HydrophobicContact CB-CD1 4.35Å; F13-I20 HydrophobicContact CD2-CD1 3.72Å; F13-I20 HydrophobicContact CE2-CD1 4.32Å; F13-Y23 AromaticContact CE2-CD2 3.73Å; F13-Y23 HydrophobicContact CE2-CD2 3.73Å; F13-Y23 AromaticContact CE2-CE2 3.41Å; F13-Y23 HydrophobicContact CE2-CE2 3.41Å; F13-Y23 VanDerWaalsContact CE2-CE2 3.41Å; F13-Y23 HydrophobicContact CZ-CD2 4.43Å; F13-Y23 AromaticContact CZ-CE2 3.77Å; F13-Y23 HydrophobicContact CZ-CE2 3.77Å; F13-K102 WeakPolarHBondContact CE1-O 3.39Å; F13-S105 VanDerWaalsContact CD1-O 3.27Å; F13-S105 WeakPolarHBondContact CD1-O 3.15Å; F13-K106 HydrophobicContact CD1-CG 4.3Å; F13-K106 HydrophobicContact CE1-CG 3.96Å; F13-I112 HydrophobicContact CB-CG2 4.27Å; F13-I112 HydrophobicContact CD1-CG2 4.2Å; F13-I112 HydrophobicContact CD2-CB 4.45Å; F13-I112 HydrophobicContact CD2-CG1 4.18Å; F13-I112 HydrophobicContact CD2-CG2 3.76Å; F13-I112 HydrophobicContact CE2-CB 4.3Å; F13-I112 HydrophobicContact CE2-CD1 4.41Å; F13-I112 HydrophobicContact CE2-CG1 3.69Å; F13-I112 HydrophobicContact CE2-CG2 4.11Å; F13-I112 HydrophobicContact CG-CG2 3.79Å; F13-I112 HydrophobicContact CZ-CB 4.36Å; F13-I112 HydrophobicContact CZ-CD1 4.31Å; F13-I112 HydrophobicContact CZ-CG1 3.94Å; F13-I112 HydrophobicContact CZ-CG2 4.47Å | ||
| 14 | W | 97.5 | Very high | 85.4 | Confident | 83 Ų | 83 | 77.2 Ų | 77.2 | 31% | 0.314 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -105.2 | 141.9 | 173.7 | -76.9 | 90.4 | 0 | 0 | 0 | 110.8 | R16 S109 V175 H176 E178 | W14-R16 HydrophobicContact CD2-CG 4.09Å; W14-R16 HydrophobicContact CE3-CG 3.92Å; W14-R16 HydrophobicContact CH2-CG 3.97Å; W14-R16 HydrophobicContact CZ2-CG 4.15Å; W14-R16 HydrophobicContact CZ3-CG 3.86Å; W14-S109 WeakPolarHBondContact O-CB 3.24Å; W14-S109 PolarHBondContact O-OG 3.37Å; W14-V175 CarbonylContact C-O 3.51Å; W14-H176 WeakPolarHBondContact O-CA 3.23Å; W14-E178 HydrophobicContact CG-CB 4.42Å; W14-E178 HydrophobicContact CZ2-CG 3.94Å; W14-E178 PolarHBondContact NE1-OE2 2.9Å |
| 15 | P | 96.6 | Very high | 87.6 | Confident | 36 Ų | 36 | 74.7 Ų | 74.7 | 23% | 0.234 | 42% | 0.422 | C | S | . | . | S | Bend | cis | -70.3 | 153.5 | -2.7 | 30.1 | -35.1 | 0 | 0 | 0 | 112.3 | D17 L18 V175 | P15-D17 WeakPolarHBondContact CB-OD1 3.44Å; P15-D17 PolarHBondContact O-N 3.33Å; P15-D17 VanDerWaalsContact O-N 3.16Å; P15-L18 HydrophobicContact CG-CD2 4.13Å; P15-L18 HydrophobicContact CG-CG 3.94Å; P15-L18 VanDerWaalsContact O-CG 3.24Å; P15-L18 WeakPolarHBondContact O-CG 3.44Å; P15-L18 PolarHBondContact O-N 3.48Å; P15-V175 WeakPolarHBondContact CD-O 3.03Å |
| 16 | R | 94 | Very high | 89.8 | Confident | 122 Ų | 122 | 70.8 Ų | 70.8 | 46% | 0.46 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -12.3 | -170.1 | -65 | -64.4 | -172.3 | -178.4 | -4.6 | 114.1 | P12 W14 E178 | P12-R16 PolarHBondContact O-NH1 3.26Å; W14-R16 HydrophobicContact CD2-CG 4.09Å; W14-R16 HydrophobicContact CE3-CG 3.92Å; W14-R16 HydrophobicContact CH2-CG 3.97Å; W14-R16 HydrophobicContact CZ2-CG 4.15Å; W14-R16 HydrophobicContact CZ3-CG 3.86Å; R16-E178 IonicContact NH2-OE2 3.29Å; R16-E178 PolarHBondContact NH2-OE2 3.37Å |
| 17 | D | 93.4 | Very high | 91.7 | Very high | 105 Ų | 105 | 72.9 Ų | 72.9 | 56% | 0.561 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | 1.6 | -178.3 | 66.7 | -33.5 | 0 | 0 | 0 | 113.9 | K8 P15 | K8-D17 PolarHBondContact NZ-O 3.4Å; P15-D17 WeakPolarHBondContact CB-OD1 3.44Å; P15-D17 PolarHBondContact O-N 3.33Å; P15-D17 VanDerWaalsContact O-N 3.16Å |
| 18 | L | 93.4 | Very high | 93.5 | Very high | 37 Ų | 37 | 69.2 Ų | 69.2 | 19% | 0.194 | 37% | 0.374 | C | S | . | . | trans | -48.3 | 147.7 | 170.9 | -71.9 | 173.2 | 0 | 0 | 0 | 111.2 | H11 F13 P15 I20 I113 | H11-L18 PolarHBondContact NE2-O 3.15Å; F13-L18 HydrophobicContact CB-CD1 4.35Å; P15-L18 HydrophobicContact CG-CD2 4.13Å; P15-L18 HydrophobicContact CG-CG 3.94Å; P15-L18 VanDerWaalsContact O-CG 3.24Å; P15-L18 WeakPolarHBondContact O-CG 3.44Å; P15-L18 PolarHBondContact O-N 3.48Å; L18-I20 HydrophobicContact CB-CD1 4.4Å; L18-I20 HydrophobicContact CB-CG1 4.28Å; L18-I20 HydrophobicContact CD1-CD1 4.47Å; L18-I113 HydrophobicContact CD1-CG2 3.93Å; L18-I113 HydrophobicContact CD2-CG2 4.1Å | ||
| 19 | V | 93.8 | Very high | 94.8 | Very high | 96 Ų | 96 | 65 Ų | 65 | 58% | 0.582 | 36% | 0.361 | S | S | * | . | trans | -113.7 | 104.5 | 178 | -179.3 | 0 | 0 | 0 | 0 | 107.6 | P21 | V19-P21 HydrophobicContact CG1-CG 4.05Å; V19-P21 WeakPolarHBondContact O-CD 3.46Å | ||
| 20 | I | 94.2 | Very high | 95.6 | Very high | 13 Ų | 13 | 65.4 Ų | 65.4 | 7% | 0.067 | 36% | 0.36 | C | S | . | . | trans | -122.9 | 80.6 | -179 | -47.9 | 175.2 | 0 | 0 | 0 | 108.1 | F13 L18 S22 Y23 P91 I112 | F13-I20 HydrophobicContact CD2-CD1 3.72Å; F13-I20 HydrophobicContact CE2-CD1 4.32Å; L18-I20 HydrophobicContact CB-CD1 4.4Å; L18-I20 HydrophobicContact CB-CG1 4.28Å; L18-I20 HydrophobicContact CD1-CD1 4.47Å; I20-S22 VanDerWaalsContact C-N 3.29Å; I20-S22 PolarHBondContact O-N 3.22Å; I20-Y23 VanDerWaalsContact O-CB 3.29Å; I20-Y23 WeakPolarHBondContact O-CB 3.32Å; I20-Y23 PolarHBondContact O-N 3.19Å; I20-Y23 VanDerWaalsContact O-N 3.1Å; I20-P91 HydrophobicContact CG2-CB 3.51Å; I20-P91 HydrophobicContact CG2-CG 3.86Å; I20-I112 HydrophobicContact CD1-CG1 4.28Å; I20-I112 HydrophobicContact CD1-CG2 3.82Å | ||
| 21 | P | 90.5 | Very high | 95.8 | Very high | 101 Ų | 101 | 63.5 Ų | 63.5 | 66% | 0.656 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -34.9 | -168.3 | -23.7 | 34.8 | 0 | 0 | 0 | 113.5 | V19 Y23 | V19-P21 HydrophobicContact CG1-CG 4.05Å; V19-P21 WeakPolarHBondContact O-CD 3.46Å; P21-Y23 VanDerWaalsContact C-N 3.26Å; P21-Y23 PolarHBondContact O-N 3.11Å |
| 22 | S | 93.9 | Very high | 95.9 | Very high | 66 Ų | 66 | 65.9 Ų | 65.9 | 46% | 0.462 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | 2.7 | -179.9 | 53 | 0 | 0 | 0 | 0 | 113.7 | I20 V24 P91 G92 | I20-S22 VanDerWaalsContact C-N 3.29Å; I20-S22 PolarHBondContact O-N 3.22Å; S22-V24 PolarHBondContact O-N 3.39Å; S22-P91 CarbonylContact O-C 3.53Å; S22-G92 WeakPolarHBondContact O-CA 3.28Å; S22-G92 PolarHBondContact O-N 3.24Å |
| 23 | Y | 96.9 | Very high | 95.9 | Very high | 26 Ų | 26 | 64 Ų | 64 | 10% | 0.102 | 35% | 0.349 | C | S | . | . | trans | -61.8 | 127.3 | -174.3 | 177.8 | -113.1 | 0 | 0 | 0 | 112.4 | T9 P10 H11 P12 F13 I20 P21 A25 P91 K102 | T9-Y23 HydrophobicContact CG2-CD1 4.22Å; P10-Y23 VanDerWaalsContact O-CD1 3.29Å; P10-Y23 WeakPolarHBondContact O-CD1 3.28Å; P10-Y23 WeakPolarHBondContact O-CE1 3.29Å; H11-Y23 HydrophobicContact CB-CD1 3.63Å; H11-Y23 HydrophobicContact CB-CE1 3.74Å; H11-Y23 HydrophobicContact CB-CG 4.07Å; P12-Y23 WeakPolarHBondContact CD-OH 3.5Å; F13-Y23 AromaticContact CE2-CD2 3.73Å; F13-Y23 HydrophobicContact CE2-CD2 3.73Å; F13-Y23 AromaticContact CE2-CE2 3.41Å; F13-Y23 HydrophobicContact CE2-CE2 3.41Å; F13-Y23 VanDerWaalsContact CE2-CE2 3.41Å; F13-Y23 HydrophobicContact CZ-CD2 4.43Å; F13-Y23 AromaticContact CZ-CE2 3.77Å; F13-Y23 HydrophobicContact CZ-CE2 3.77Å; I20-Y23 VanDerWaalsContact O-CB 3.29Å; I20-Y23 WeakPolarHBondContact O-CB 3.32Å; I20-Y23 PolarHBondContact O-N 3.19Å; I20-Y23 VanDerWaalsContact O-N 3.1Å; P21-Y23 VanDerWaalsContact C-N 3.26Å; P21-Y23 PolarHBondContact O-N 3.11Å; Y23-A25 HydrophobicContact CE1-CB 4.36Å; Y23-P91 WeakPolarHBondContact CA-O 3.42Å; Y23-K102 HydrophobicContact CE2-CD 4.19Å | ||
| 24 | V | 97.4 | Very high | 95.7 | Very high | 72 Ų | 72 | 65.6 Ų | 65.6 | 44% | 0.436 | 36% | 0.357 | S | S | . | . | trans | -126.8 | 125.8 | 168.5 | -173.6 | 0 | 0 | 0 | 0 | 108.1 | S22 P91 Q94 K102 | S22-V24 PolarHBondContact O-N 3.39Å; V24-P91 PolarHBondContact N-O 3.47Å; V24-Q94 PolarHBondContact O-NE2 3.04Å; V24-K102 PolarHBondContact O-NZ 3.2Å | ||
| 25 | A | 97.4 | Very high | 95.7 | Very high | 58 Ų | 58 | 66.1 Ų | 66.1 | 48% | 0.479 | 37% | 0.369 | S | S | . | . | trans | -58.2 | 151 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y23 Q94 | Y23-A25 HydrophobicContact CE1-CB 4.36Å; A25-Q94 PolarHBondContact O-NE2 3.2Å | ||
| 26 | N | 98.2 | Very high | 95.6 | Very high | 33 Ų | 33 | 67.8 Ų | 67.8 | 18% | 0.176 | 37% | 0.373 | C | S | . | . | trans | -63.2 | 136.7 | 175 | -71 | -0.1 | 0 | 0 | 0 | 110.1 | Q99 K102 | N26-Q99 HydrophobicContact CB-CB 4.45Å; N26-Q99 HydrophobicContact CB-CG 4.39Å; N26-Q99 VanDerWaalsContact CB-OE1 3.28Å; N26-Q99 PolarHBondContact ND2-O 3.1Å; N26-K102 WeakPolarHBondContact OD1-CB 3.38Å; N26-K102 WeakPolarHBondContact OD1-CD 3.46Å; N26-K102 WeakPolarHBondContact OD1-CE 3.37Å; N26-K102 PolarHBondContact OD1-NZ 2.82Å | ||
| 27 | D | 97.5 | Very high | 95.6 | Very high | 117 Ų | 117 | 63.3 Ų | 63.3 | 63% | 0.626 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -83.7 | -16.5 | 167.1 | 67.8 | 4.9 | 0 | 0 | 0 | 112.3 | Q99 | D27-Q99 VanDerWaalsContact OD1-CD 3.31Å; D27-Q99 PolarHBondContact OD1-NE2 3.34Å; D27-Q99 PolarHBondContact OD1-OE1 3.13Å; D27-Q99 VanDerWaalsContact OD1-OE1 3.08Å |
| 28 | R | 96.7 | Very high | 95.6 | Very high | 118 Ų | 118 | 63.1 Ų | 63.1 | 45% | 0.445 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -88.8 | 142.7 | 171.8 | -59.8 | -60.8 | 179.6 | 158.2 | -1.3 | 112.4 | E32 I33 Q99 | R28-E32 WeakPolarHBondContact CD-OE1 3.49Å; R28-E32 IonicContact CZ-OE1 3.97Å; R28-E32 IonicContact NH1-OE1 2.95Å; R28-E32 PolarHBondContact NH1-OE1 3.08Å; R28-I33 HydrophobicContact CB-CD1 4.32Å; R28-I33 HydrophobicContact CB-CG1 4.19Å; R28-Q99 VanDerWaalsContact CB-OE1 3.3Å |
| 29 | S | 97.4 | Very high | 95.7 | Very high | 46 Ų | 46 | 64.7 Ų | 64.7 | 32% | 0.322 | 37% | 0.366 | S | S | . | . | trans | -71.8 | 154.3 | 171.5 | 64.6 | 0 | 0 | 0 | 0 | 112.2 | S31 E32 I33 | S29-S31 PolarHBondContact O-N 3.09Å; S29-S31 PolarHBondContact OG-OG 3.07Å; S29-E32 WeakPolarHBondContact CB-OE2 3.43Å; S29-E32 PolarHBondContact N-OE2 2.95Å; S29-E32 PolarHBondContact O-N 3.04Å; S29-E32 VanDerWaalsContact OG-CG 3.3Å; S29-E32 WeakPolarHBondContact OG-CG 3.38Å; S29-E32 PolarHBondContact OG-N 3.47Å; S29-E32 PolarHBondContact OG-OE2 3.31Å; S29-I33 WeakPolarHBondContact O-CG1 3.27Å; S29-I33 PolarHBondContact O-N 2.93Å | ||
| 30 | M | 96.2 | Very high | 95.8 | Very high | 60 Ų | 60 | 62 Ų | 62 | 30% | 0.296 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -52.1 | -40.7 | 170.3 | 173.4 | -171.5 | 164.1 | 0 | 0 | 111.5 | I33 L34 E103 I183 Y188 | M30-I33 PolarHBondContact O-N 2.99Å; M30-L34 HydrophobicContact CE-CD1 3.54Å; M30-L34 HydrophobicContact CG-CD1 3.94Å; M30-L34 HydrophobicContact CG-CG 4.31Å; M30-L34 WeakPolarHBondContact O-CG 3.31Å; M30-L34 PolarHBondContact O-N 2.98Å; M30-E103 HydrophobicContact CG-CG 4.44Å; M30-E103 WeakPolarHBondContact CG-OE1 3.4Å; M30-I183 HydrophobicContact CE-CG2 3.88Å; M30-Y188 WeakPolarHBondContact CE-OH 3.24Å |
| 31 | S | 97.1 | Very high | 95.9 | Very high | 77 Ų | 77 | 62.2 Ų | 62.2 | 54% | 0.538 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.8 | -44 | 179 | 39 | 0 | 0 | 0 | 0 | 113.1 | S29 I33 L34 V35 | S29-S31 PolarHBondContact O-N 3.09Å; S29-S31 PolarHBondContact OG-OG 3.07Å; S31-I33 VanDerWaalsContact C-N 3.3Å; S31-I33 PolarHBondContact O-N 2.97Å; S31-L34 PolarHBondContact O-N 3.01Å; S31-V35 VanDerWaalsContact O-CB 3.3Å; S31-V35 WeakPolarHBondContact O-CB 3.23Å; S31-V35 WeakPolarHBondContact O-CG2 3.24Å; S31-V35 PolarHBondContact O-N 3.32Å |
| 32 | E | 96.9 | Very high | 96.2 | Very high | 77 Ų | 77 | 59 Ų | 59 | 36% | 0.36 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.9 | -42.2 | 176.9 | -74.7 | 166.1 | 104.7 | 0 | 0 | 111.2 | R28 S29 F36 | R28-E32 WeakPolarHBondContact CD-OE1 3.49Å; R28-E32 IonicContact CZ-OE1 3.97Å; R28-E32 IonicContact NH1-OE1 2.95Å; R28-E32 PolarHBondContact NH1-OE1 3.08Å; S29-E32 WeakPolarHBondContact CB-OE2 3.43Å; S29-E32 PolarHBondContact N-OE2 2.95Å; S29-E32 PolarHBondContact O-N 3.04Å; S29-E32 VanDerWaalsContact OG-CG 3.3Å; S29-E32 WeakPolarHBondContact OG-CG 3.38Å; S29-E32 PolarHBondContact OG-N 3.47Å; S29-E32 PolarHBondContact OG-OE2 3.31Å; E32-F36 PolarHBondContact O-N 2.96Å; E32-F36 VanDerWaalsContact O-N 3.08Å |
| 33 | I | 96.9 | Very high | 96.3 | Very high | 2 Ų | 2 | 58.2 Ų | 58.2 | 1% | 0.01 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.5 | -49.7 | 179 | -67.3 | 169.6 | 0 | 0 | 0 | 110.9 | R28 S29 M30 S31 F36 L37 F96 Q99 L100 E103 | R28-I33 HydrophobicContact CB-CD1 4.32Å; R28-I33 HydrophobicContact CB-CG1 4.19Å; S29-I33 WeakPolarHBondContact O-CG1 3.27Å; S29-I33 PolarHBondContact O-N 2.93Å; M30-I33 PolarHBondContact O-N 2.99Å; S31-I33 VanDerWaalsContact C-N 3.3Å; S31-I33 PolarHBondContact O-N 2.97Å; I33-F36 PolarHBondContact O-N 3.38Å; I33-L37 PolarHBondContact O-N 3.3Å; I33-F96 HydrophobicContact CG1-CZ 4.46Å; I33-Q99 HydrophobicContact CD1-CB 4.25Å; I33-L100 HydrophobicContact CG2-CB 3.86Å; I33-L100 HydrophobicContact CG2-CD1 4.35Å; I33-L100 HydrophobicContact CG2-CG 3.86Å; I33-E103 HydrophobicContact CD1-CB 3.86Å; I33-E103 HydrophobicContact CD1-CG 4.36Å; I33-E103 HydrophobicContact CG2-CB 4.36Å; I33-E103 HydrophobicContact CG2-CG 4.44Å |
| 34 | L | 94.6 | Very high | 96.2 | Very high | 33 Ų | 33 | 60.2 Ų | 60.2 | 17% | 0.173 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -68.3 | -40 | -179.3 | -68.3 | -177.8 | 0 | 0 | 0 | 112.2 | M30 S31 F36 L37 F38 | M30-L34 HydrophobicContact CE-CD1 3.54Å; M30-L34 HydrophobicContact CG-CD1 3.94Å; M30-L34 HydrophobicContact CG-CG 4.31Å; M30-L34 WeakPolarHBondContact O-CG 3.31Å; M30-L34 PolarHBondContact O-N 2.98Å; S31-L34 PolarHBondContact O-N 3.01Å; L34-F36 VanDerWaalsContact C-N 3.3Å; L34-F36 PolarHBondContact O-N 2.87Å; L34-L37 PolarHBondContact O-N 3.05Å; L34-F38 HydrophobicContact CB-CD2 4.15Å; L34-F38 HydrophobicContact CB-CE2 4.14Å; L34-F38 HydrophobicContact CD2-CE2 4.07Å; L34-F38 WeakPolarHBondContact O-CB 3.2Å; L34-F38 WeakPolarHBondContact O-CD2 3.33Å; L34-F38 PolarHBondContact O-N 3.12Å |
| 35 | V | 96.6 | Very high | 96.1 | Very high | 94 Ų | 94 | 60.7 Ų | 60.7 | 57% | 0.57 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -58.5 | -45 | 175.9 | 165.7 | 0 | 0 | 0 | 0 | 110.3 | S31 S39 | S31-V35 VanDerWaalsContact O-CB 3.3Å; S31-V35 WeakPolarHBondContact O-CB 3.23Å; S31-V35 WeakPolarHBondContact O-CG2 3.24Å; S31-V35 PolarHBondContact O-N 3.32Å; V35-S39 WeakPolarHBondContact O-CB 3.33Å; V35-S39 PolarHBondContact O-N 3.44Å; V35-S39 PolarHBondContact O-OG 3.39Å |
| 36 | F | 94.6 | Very high | 96.1 | Very high | 71 Ų | 71 | 62.5 Ų | 62.5 | 31% | 0.311 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -59.2 | -53.7 | 174 | 172.5 | -91.6 | 0 | 0 | 0 | 112 | E32 I33 L34 F38 S39 V40 F96 L97 | E32-F36 PolarHBondContact O-N 2.96Å; E32-F36 VanDerWaalsContact O-N 3.08Å; I33-F36 PolarHBondContact O-N 3.38Å; L34-F36 VanDerWaalsContact C-N 3.3Å; L34-F36 PolarHBondContact O-N 2.87Å; F36-F38 PolarHBondContact O-N 3.3Å; F36-S39 PolarHBondContact O-N 2.84Å; F36-V40 HydrophobicContact CD2-CG2 4.01Å; F36-V40 HydrophobicContact CE1-CG2 4.38Å; F36-V40 HydrophobicContact CE2-CG2 3.79Å; F36-V40 HydrophobicContact CG-CG2 4.4Å; F36-V40 HydrophobicContact CZ-CG2 4Å; F36-V40 WeakPolarHBondContact O-CG2 3.21Å; F36-V40 PolarHBondContact O-N 3.41Å; F36-F96 HydrophobicContact CB-CE1 3.72Å; F36-F96 HydrophobicContact CB-CE2 4.21Å; F36-F96 HydrophobicContact CB-CZ 3.27Å; F36-F96 AromaticContact CD1-CD1 3.94Å; F36-F96 HydrophobicContact CD1-CD1 3.94Å; F36-F96 AromaticContact CD1-CE1 3.11Å; F36-F96 HydrophobicContact CD1-CE1 3.11Å; F36-F96 AromaticContact CD1-CZ 3.69Å; F36-F96 HydrophobicContact CD1-CZ 3.69Å; F36-F96 HydrophobicContact CD2-CE1 4.01Å; F36-F96 HydrophobicContact CD2-CZ 4.05Å; F36-F96 AromaticContact CE1-CD1 3.96Å; F36-F96 HydrophobicContact CE1-CD1 3.96Å; F36-F96 AromaticContact CE1-CE1 3.6Å; F36-F96 HydrophobicContact CE1-CE1 3.6Å; F36-F96 HydrophobicContact CE1-CZ 4.49Å; F36-F96 HydrophobicContact CE2-CE1 4.42Å; F36-F96 HydrophobicContact CG-CD1 4.23Å; F36-F96 AromaticContact CG-CE1 3.33Å; F36-F96 HydrophobicContact CG-CE1 3.33Å; F36-F96 HydrophobicContact CG-CE2 4.35Å; F36-F96 AromaticContact CG-CZ 3.4Å; F36-F96 HydrophobicContact CG-CZ 3.4Å; F36-F96 HydrophobicContact CZ-CD1 4.29Å; F36-F96 HydrophobicContact CZ-CE1 4.23Å; F36-L97 HydrophobicContact CE1-CD2 4.25Å |
| 37 | L | 93.9 | Very high | 96 | Very high | 27 Ų | 27 | 64.8 Ų | 64.8 | 14% | 0.141 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -55.8 | -50 | -176 | 175 | 63.4 | 0 | 0 | 0 | 111.4 | I33 L34 S41 I79 L100 | I33-L37 PolarHBondContact O-N 3.3Å; L34-L37 PolarHBondContact O-N 3.05Å; L37-S41 VanDerWaalsContact O-CB 3.23Å; L37-S41 WeakPolarHBondContact O-CB 3.28Å; L37-S41 PolarHBondContact O-N 3.46Å; L37-S41 PolarHBondContact O-OG 3.35Å; L37-I79 HydrophobicContact CD1-CD1 3.37Å; L37-L100 HydrophobicContact CB-CD1 4.38Å; L37-L100 HydrophobicContact CD1-CD1 4.37Å |
| 38 | F | 93.7 | Very high | 95.9 | Very high | 102 Ų | 102 | 59.8 Ų | 59.8 | 45% | 0.447 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -73.1 | -33.1 | -178.5 | -69.8 | -60.8 | 0 | 0 | 0 | 112.6 | L34 F36 G42 F187 | L34-F38 HydrophobicContact CB-CD2 4.15Å; L34-F38 HydrophobicContact CB-CE2 4.14Å; L34-F38 HydrophobicContact CD2-CE2 4.07Å; L34-F38 WeakPolarHBondContact O-CB 3.2Å; L34-F38 WeakPolarHBondContact O-CD2 3.33Å; L34-F38 PolarHBondContact O-N 3.12Å; F36-F38 PolarHBondContact O-N 3.3Å; F38-G42 WeakPolarHBondContact O-CA 3.35Å; F38-G42 PolarHBondContact O-N 3.28Å; F38-F187 HydrophobicContact CZ-CZ 4.49Å |
| 39 | S | 96 | Very high | 96 | Very high | 70 Ų | 70 | 57.9 Ų | 57.9 | 49% | 0.49 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -69.2 | -45.6 | 177.7 | -60.6 | 0 | 0 | 0 | 0 | 111.8 | V35 F36 G42 A43 | V35-S39 WeakPolarHBondContact O-CB 3.33Å; V35-S39 PolarHBondContact O-N 3.44Å; V35-S39 PolarHBondContact O-OG 3.39Å; F36-S39 PolarHBondContact O-N 2.84Å; S39-G42 PolarHBondContact O-N 3.33Å; S39-A43 WeakPolarHBondContact O-CB 3.31Å; S39-A43 PolarHBondContact O-N 3.08Å |
| 40 | V | 95.9 | Very high | 95.9 | Very high | 39 Ų | 39 | 60.2 Ų | 60.2 | 24% | 0.236 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -68.2 | -44.7 | 178.9 | -179.4 | 0 | 0 | 0 | 0 | 110.3 | F36 G42 A43 F44 F74 | F36-V40 HydrophobicContact CD2-CG2 4.01Å; F36-V40 HydrophobicContact CE1-CG2 4.38Å; F36-V40 HydrophobicContact CE2-CG2 3.79Å; F36-V40 HydrophobicContact CG-CG2 4.4Å; F36-V40 HydrophobicContact CZ-CG2 4Å; F36-V40 WeakPolarHBondContact O-CG2 3.21Å; F36-V40 PolarHBondContact O-N 3.41Å; V40-G42 VanDerWaalsContact C-N 3.3Å; V40-G42 PolarHBondContact O-N 3.31Å; V40-A43 WeakPolarHBondContact O-CB 3.23Å; V40-A43 PolarHBondContact O-N 3.46Å; V40-A43 VanDerWaalsContact O-N 3.12Å; V40-F44 HydrophobicContact CG1-CD2 4.02Å; V40-F44 HydrophobicContact CG1-CE2 3.95Å; V40-F44 WeakPolarHBondContact O-CD2 3.36Å; V40-F44 PolarHBondContact O-N 2.91Å; V40-F74 HydrophobicContact CB-CE1 4.12Å; V40-F74 HydrophobicContact CB-CZ 3.91Å; V40-F74 HydrophobicContact CG1-CD1 4.31Å; V40-F74 HydrophobicContact CG1-CD2 4.12Å; V40-F74 HydrophobicContact CG1-CE1 3.77Å; V40-F74 HydrophobicContact CG1-CE2 3.56Å; V40-F74 HydrophobicContact CG1-CG 4.47Å; V40-F74 HydrophobicContact CG1-CZ 3.37Å |
| 41 | S | 95.8 | Very high | 95.8 | Very high | 17 Ų | 17 | 61.2 Ų | 61.2 | 12% | 0.119 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.1 | -41.2 | 174.1 | -57.8 | 0 | 0 | 0 | 0 | 111.8 | L37 A43 F44 L45 | L37-S41 VanDerWaalsContact O-CB 3.23Å; L37-S41 WeakPolarHBondContact O-CB 3.28Å; L37-S41 PolarHBondContact O-N 3.46Å; L37-S41 PolarHBondContact O-OG 3.35Å; S41-A43 VanDerWaalsContact C-N 3.34Å; S41-A43 PolarHBondContact O-N 3.45Å; S41-F44 PolarHBondContact O-N 3.09Å; S41-L45 PolarHBondContact O-N 3.1Å |
| 42 | G | 96.4 | Very high | 95.7 | Very high | 34 Ų | 34 | 57.6 Ų | 57.6 | 35% | 0.351 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.3 | -38 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | F38 S39 V40 L45 L46 | F38-G42 WeakPolarHBondContact O-CA 3.35Å; F38-G42 PolarHBondContact O-N 3.28Å; S39-G42 PolarHBondContact O-N 3.33Å; V40-G42 VanDerWaalsContact C-N 3.3Å; V40-G42 PolarHBondContact O-N 3.31Å; G42-L45 PolarHBondContact O-N 3.3Å; G42-L46 VanDerWaalsContact O-CB 3.3Å; G42-L46 WeakPolarHBondContact O-CB 3.36Å; G42-L46 PolarHBondContact O-N 2.89Å |
| 43 | A | 96.8 | Very high | 95.4 | Very high | 50 Ų | 50 | 55.3 Ų | 55.3 | 41% | 0.413 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -65.4 | -45.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | S39 V40 S41 L45 L46 V47 | S39-A43 WeakPolarHBondContact O-CB 3.31Å; S39-A43 PolarHBondContact O-N 3.08Å; V40-A43 WeakPolarHBondContact O-CB 3.23Å; V40-A43 PolarHBondContact O-N 3.46Å; V40-A43 VanDerWaalsContact O-N 3.12Å; S41-A43 VanDerWaalsContact C-N 3.34Å; S41-A43 PolarHBondContact O-N 3.45Å; A43-L45 VanDerWaalsContact C-N 3.32Å; A43-L45 PolarHBondContact O-N 3.33Å; A43-L46 PolarHBondContact O-N 2.81Å; A43-V47 WeakPolarHBondContact O-CB 3.27Å; A43-V47 VanDerWaalsContact O-CG2 3.28Å; A43-V47 WeakPolarHBondContact O-CG2 3.32Å; A43-V47 PolarHBondContact O-N 2.97Å |
| 44 | F | 94.1 | Very high | 95.1 | Very high | 68 Ų | 68 | 62.5 Ų | 62.5 | 30% | 0.298 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -57.9 | -44.9 | 173.8 | -88.7 | -85.8 | 0 | 0 | 0 | 111.7 | V40 S41 T48 V71 F74 F134 | V40-F44 HydrophobicContact CG1-CD2 4.02Å; V40-F44 HydrophobicContact CG1-CE2 3.95Å; V40-F44 WeakPolarHBondContact O-CD2 3.36Å; V40-F44 PolarHBondContact O-N 2.91Å; S41-F44 PolarHBondContact O-N 3.09Å; F44-T48 VanDerWaalsContact O-CB 3.23Å; F44-T48 WeakPolarHBondContact O-CB 3.45Å; F44-T48 PolarHBondContact O-N 3.18Å; F44-T48 VanDerWaalsContact O-N 3.08Å; F44-T48 PolarHBondContact O-OG1 3.16Å; F44-V71 HydrophobicContact CB-CG2 4.37Å; F44-F74 HydrophobicContact CD1-CB 4.31Å; F44-F74 HydrophobicContact CD2-CB 3.77Å; F44-F74 HydrophobicContact CD2-CD1 4.33Å; F44-F74 HydrophobicContact CD2-CD2 4.16Å; F44-F74 AromaticContact CD2-CG 3.81Å; F44-F74 HydrophobicContact CD2-CG 3.81Å; F44-F74 HydrophobicContact CE1-CB 4.24Å; F44-F74 HydrophobicContact CE2-CB 3.7Å; F44-F74 HydrophobicContact CE2-CD1 4.5Å; F44-F74 AromaticContact CE2-CD2 3.54Å; F44-F74 HydrophobicContact CE2-CD2 3.54Å; F44-F74 HydrophobicContact CE2-CE2 4.33Å; F44-F74 AromaticContact CE2-CG 3.64Å; F44-F74 HydrophobicContact CE2-CG 3.64Å; F44-F74 HydrophobicContact CG-CB 4.1Å; F44-F74 HydrophobicContact CZ-CB 3.95Å; F44-F74 HydrophobicContact CZ-CD2 4.11Å; F44-F74 HydrophobicContact CZ-CG 4.29Å; F44-F134 HydrophobicContact CD1-CE1 4.42Å; F44-F134 AromaticContact CE1-CE1 3.9Å; F44-F134 HydrophobicContact CE1-CE1 3.9Å; F44-F134 HydrophobicContact CE1-CZ 4.15Å |
| 45 | L | 96.1 | Very high | 94.6 | Very high | 81 Ų | 81 | 63 Ų | 63 | 42% | 0.424 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -59.9 | -51.6 | 175.8 | -176.7 | 154.3 | 0 | 0 | 0 | 111.4 | S41 G42 A43 T48 W49 C67 V71 | S41-L45 PolarHBondContact O-N 3.1Å; G42-L45 PolarHBondContact O-N 3.3Å; A43-L45 VanDerWaalsContact C-N 3.32Å; A43-L45 PolarHBondContact O-N 3.33Å; L45-T48 PolarHBondContact O-N 2.82Å; L45-W49 VanDerWaalsContact O-CB 3.25Å; L45-W49 WeakPolarHBondContact O-CB 3.41Å; L45-W49 PolarHBondContact O-N 2.86Å; L45-C67 HydrophobicContact CG-CB 4.05Å; L45-C67 PolarHBondContact O-SG 3.08Å; L45-C67 VanDerWaalsContact O-SG 3.32Å; L45-V71 HydrophobicContact CB-CG2 4.22Å |
| 46 | L | 96.9 | Very high | 93.9 | Very high | 97 Ų | 97 | 61.5 Ų | 61.5 | 51% | 0.508 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.9 | -48.4 | -176.7 | 178.9 | 63.4 | 0 | 0 | 0 | 111.8 | G42 A43 T48 W49 L50 | G42-L46 VanDerWaalsContact O-CB 3.3Å; G42-L46 WeakPolarHBondContact O-CB 3.36Å; G42-L46 PolarHBondContact O-N 2.89Å; A43-L46 PolarHBondContact O-N 2.81Å; L46-T48 VanDerWaalsContact C-N 3.32Å; L46-T48 PolarHBondContact O-N 3.46Å; L46-W49 WeakPolarHBondContact O-CB 3.44Å; L46-W49 PolarHBondContact O-N 2.76Å; L46-L50 HydrophobicContact CD1-CD1 4.32Å; L46-L50 HydrophobicContact CD1-CG 4.3Å; L46-L50 HydrophobicContact CG-CD1 4.2Å; L46-L50 VanDerWaalsContact O-CG 3.31Å; L46-L50 WeakPolarHBondContact O-CG 3.47Å; L46-L50 PolarHBondContact O-N 2.97Å |
| 47 | V | 96.4 | Very high | 93.5 | Very high | 80 Ų | 80 | 66.5 Ų | 66.5 | 49% | 0.485 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -59.3 | -46.6 | 178.7 | 170 | 0 | 0 | 0 | 0 | 110.2 | A43 W49 L50 I51 | A43-V47 WeakPolarHBondContact O-CB 3.27Å; A43-V47 VanDerWaalsContact O-CG2 3.28Å; A43-V47 WeakPolarHBondContact O-CG2 3.32Å; A43-V47 PolarHBondContact O-N 2.97Å; V47-W49 VanDerWaalsContact C-N 3.32Å; V47-W49 PolarHBondContact O-N 2.73Å; V47-L50 PolarHBondContact O-N 3.42Å; V47-I51 HydrophobicContact CG1-CD1 3.7Å; V47-I51 HydrophobicContact CG1-CG1 4.45Å; V47-I51 VanDerWaalsContact O-CG1 3.27Å; V47-I51 WeakPolarHBondContact O-CG1 3.45Å; V47-I51 PolarHBondContact O-N 3.45Å |
| 48 | T | 95.8 | Very high | 93.4 | Very high | 12 Ų | 12 | 66.8 Ų | 66.8 | 7% | 0.074 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -64.5 | -38.6 | 178 | -55.2 | 0 | 0 | 0 | 0 | 111.8 | F44 L45 L46 I51 T52 V66 A70 V137 | F44-T48 VanDerWaalsContact O-CB 3.23Å; F44-T48 WeakPolarHBondContact O-CB 3.45Å; F44-T48 PolarHBondContact O-N 3.18Å; F44-T48 VanDerWaalsContact O-N 3.08Å; F44-T48 PolarHBondContact O-OG1 3.16Å; L45-T48 PolarHBondContact O-N 2.82Å; L46-T48 VanDerWaalsContact C-N 3.32Å; L46-T48 PolarHBondContact O-N 3.46Å; T48-I51 PolarHBondContact O-N 3.05Å; T48-T52 HydrophobicContact CG2-CG2 4.34Å; T48-T52 WeakPolarHBondContact O-CB 3.36Å; T48-T52 VanDerWaalsContact O-CG2 3.28Å; T48-T52 WeakPolarHBondContact O-CG2 3.31Å; T48-T52 PolarHBondContact O-N 3.44Å; T48-T52 PolarHBondContact O-OG1 3.01Å; T48-V66 HydrophobicContact CG2-CB 4.49Å; T48-V66 HydrophobicContact CG2-CG1 3.67Å; T48-A70 HydrophobicContact CG2-CB 4.06Å; T48-A70 WeakPolarHBondContact OG1-CB 3.5Å; T48-V137 HydrophobicContact CG2-CG1 4.44Å |
| 49 | W | 97.1 | Very high | 93.4 | Very high | 78 Ų | 78 | 64.4 Ų | 64.4 | 30% | 0.295 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62.2 | -44.3 | 176.3 | -178.6 | -100.8 | 0 | 0 | 0 | 111.8 | L45 L46 V47 T52 G53 T60 R63 L64 | L45-W49 VanDerWaalsContact O-CB 3.25Å; L45-W49 WeakPolarHBondContact O-CB 3.41Å; L45-W49 PolarHBondContact O-N 2.86Å; L46-W49 WeakPolarHBondContact O-CB 3.44Å; L46-W49 PolarHBondContact O-N 2.76Å; V47-W49 VanDerWaalsContact C-N 3.32Å; V47-W49 PolarHBondContact O-N 2.73Å; W49-T52 PolarHBondContact O-OG1 3.33Å; W49-T52 VanDerWaalsContact O-OG1 3.09Å; W49-G53 PolarHBondContact O-N 3.3Å; W49-T60 HydrophobicContact CH2-CG2 4.07Å; W49-R63 HydrophobicContact CE3-CB 3.9Å; W49-R63 HydrophobicContact CH2-CB 4.47Å; W49-R63 HydrophobicContact CZ3-CB 3.63Å; W49-R63 PolarHBondContact O-NH2 2.97Å; W49-L64 HydrophobicContact CE3-CD2 4.28Å; W49-L64 HydrophobicContact CH2-CD2 4.42Å; W49-L64 HydrophobicContact CZ3-CD2 3.69Å; W49-L64 HydrophobicContact CZ3-CG 3.95Å |
| 50 | L | 96.6 | Very high | 93.4 | Very high | 95 Ų | 95 | 65.2 Ų | 65.2 | 50% | 0.497 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -65.3 | -48.3 | 177.6 | -67.8 | 173.6 | 0 | 0 | 0 | 111.3 | L46 V47 T52 G53 I54 | L46-L50 HydrophobicContact CD1-CD1 4.32Å; L46-L50 HydrophobicContact CD1-CG 4.3Å; L46-L50 HydrophobicContact CG-CD1 4.2Å; L46-L50 VanDerWaalsContact O-CG 3.31Å; L46-L50 WeakPolarHBondContact O-CG 3.47Å; L46-L50 PolarHBondContact O-N 2.97Å; V47-L50 PolarHBondContact O-N 3.42Å; L50-T52 PolarHBondContact O-N 2.89Å; L50-G53 PolarHBondContact O-N 3.14Å; L50-G53 VanDerWaalsContact O-N 3.14Å; L50-I54 WeakPolarHBondContact O-CG1 3.46Å; L50-I54 PolarHBondContact O-N 3.39Å |
| 51 | I | 94.4 | Very high | 93.4 | Very high | 81 Ų | 81 | 73.5 Ų | 73.5 | 42% | 0.415 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -57.4 | -49 | 178.6 | -69.2 | 167.5 | 0 | 0 | 0 | 110.9 | V47 T48 G53 I54 A55 I141 | V47-I51 HydrophobicContact CG1-CD1 3.7Å; V47-I51 HydrophobicContact CG1-CG1 4.45Å; V47-I51 VanDerWaalsContact O-CG1 3.27Å; V47-I51 WeakPolarHBondContact O-CG1 3.45Å; V47-I51 PolarHBondContact O-N 3.45Å; T48-I51 PolarHBondContact O-N 3.05Å; I51-G53 VanDerWaalsContact C-N 3.29Å; I51-G53 PolarHBondContact O-N 2.92Å; I51-I54 PolarHBondContact O-N 2.84Å; I51-A55 PolarHBondContact O-N 3.28Å; I51-A55 VanDerWaalsContact O-N 3.13Å; I51-I141 HydrophobicContact CG2-CD1 3.91Å |
| 52 | T | 93.9 | Very high | 93.4 | Very high | 1 Ų | 1 | 74.5 Ų | 74.5 | 1% | 0.006 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -69.5 | -27.4 | -179.8 | 58.2 | 0 | 0 | 0 | 0 | 113 | T48 W49 L50 G56 L58 R63 V66 I141 | T48-T52 HydrophobicContact CG2-CG2 4.34Å; T48-T52 WeakPolarHBondContact O-CB 3.36Å; T48-T52 VanDerWaalsContact O-CG2 3.28Å; T48-T52 WeakPolarHBondContact O-CG2 3.31Å; T48-T52 PolarHBondContact O-N 3.44Å; T48-T52 PolarHBondContact O-OG1 3.01Å; W49-T52 PolarHBondContact O-OG1 3.33Å; W49-T52 VanDerWaalsContact O-OG1 3.09Å; L50-T52 PolarHBondContact O-N 2.89Å; T52-G56 PolarHBondContact O-N 2.95Å; T52-L58 HydrophobicContact CG2-CD1 4.12Å; T52-R63 PolarHBondContact OG1-NE 3.31Å; T52-V66 HydrophobicContact CG2-CB 4.36Å; T52-V66 HydrophobicContact CG2-CG1 3.91Å; T52-I141 HydrophobicContact CG2-CG1 4.22Å |
| 53 | G | 91.6 | Very high | 93.5 | Very high | 30 Ų | 30 | 74.8 Ų | 74.8 | 31% | 0.309 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -70.5 | -46.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | W49 L50 I51 A55 G56 R63 | W49-G53 PolarHBondContact O-N 3.3Å; L50-G53 PolarHBondContact O-N 3.14Å; L50-G53 VanDerWaalsContact O-N 3.14Å; I51-G53 VanDerWaalsContact C-N 3.29Å; I51-G53 PolarHBondContact O-N 2.92Å; G53-A55 VanDerWaalsContact C-N 3.29Å; G53-A55 PolarHBondContact O-N 2.99Å; G53-G56 PolarHBondContact O-N 3.03Å; G53-G56 VanDerWaalsContact O-N 3.1Å; G53-R63 VanDerWaalsContact CA-CZ 3.45Å |
| 54 | I | 89.9 | Confident | 93.5 | Very high | 152 Ų | 152 | 76 Ų | 76 | 78% | 0.779 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -62.4 | -39.1 | 177.3 | -66.2 | 164.3 | 0 | 0 | 0 | 110.7 | L50 I51 G56 | L50-I54 WeakPolarHBondContact O-CG1 3.46Å; L50-I54 PolarHBondContact O-N 3.39Å; I51-I54 PolarHBondContact O-N 2.84Å; I54-G56 PolarHBondContact O-N 2.93Å |
| 55 | A | 84.6 | Confident | 93.7 | Very high | 43 Ų | 43 | 73.3 Ų | 73.3 | 36% | 0.355 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -63.4 | -26.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | I51 G53 R57 | I51-A55 PolarHBondContact O-N 3.28Å; I51-A55 VanDerWaalsContact O-N 3.13Å; G53-A55 VanDerWaalsContact C-N 3.29Å; G53-A55 PolarHBondContact O-N 2.99Å; A55-R57 WeakPolarHBondContact O-CG 3.45Å; A55-R57 PolarHBondContact O-N 3.43Å |
| 56 | G | 81.6 | Confident | 93.8 | Very high | 64 Ų | 64 | 69.4 Ų | 69.4 | 66% | 0.66 | 38% | 0.375 | S | S | * | . | trans | 65 | 6.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | T52 G53 I54 | T52-G56 PolarHBondContact O-N 2.95Å; G53-G56 PolarHBondContact O-N 3.03Å; G53-G56 VanDerWaalsContact O-N 3.1Å; I54-G56 PolarHBondContact O-N 2.93Å | ||
| 57 | R | 86.1 | Confident | 93.9 | Very high | 176 Ų | 176 | 64.9 Ų | 64.9 | 66% | 0.664 | 35% | 0.351 | S | S | * | . | trans | -95 | -14 | -171.2 | -71.5 | 169.4 | -170 | -176.1 | 1.1 | 114.9 | A55 | A55-R57 WeakPolarHBondContact O-CG 3.45Å; A55-R57 PolarHBondContact O-N 3.43Å | ||
| 58 | L | 91.6 | Very high | 94 | Very high | 33 Ų | 33 | 62.8 Ų | 62.8 | 17% | 0.173 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -118.3 | 132.8 | -170.1 | -55.3 | 179.7 | 0 | 0 | 0 | 110.5 | T52 R62 R63 V66 | T52-L58 HydrophobicContact CG2-CD1 4.12Å; L58-R62 HydrophobicContact CB-CB 4.19Å; L58-R62 HydrophobicContact CB-CG 4.03Å; L58-R62 HydrophobicContact CD1-CG 4.15Å; L58-R62 HydrophobicContact CD2-CG 3.89Å; L58-R62 HydrophobicContact CG-CG 4.23Å; L58-R63 HydrophobicContact CB-CG 3.77Å; L58-R63 WeakPolarHBondContact O-CD 3.21Å; L58-V66 HydrophobicContact CD1-CG2 4.17Å |
| 59 | G | 94.3 | Very high | 94.1 | Very high | 52 Ų | 52 | 62.2 Ų | 62.2 | 54% | 0.536 | 33% | 0.331 | S | S | . | . | trans | -66.4 | 162.3 | 171 | 0 | 0 | 0 | 0 | 0 | 112.4 | W61 R62 R63 | G59-W61 PolarHBondContact O-N 3.43Å; G59-R62 WeakPolarHBondContact O-CB 3.32Å; G59-R62 PolarHBondContact O-N 3.41Å; G59-R63 WeakPolarHBondContact O-CG 3.23Å; G59-R63 PolarHBondContact O-N 3.28Å | ||
| 60 | T | 95.6 | Very high | 94.1 | Very high | 86 Ų | 86 | 58.7 Ų | 58.7 | 53% | 0.528 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -49 | -51.8 | -174.3 | -52.4 | 0 | 0 | 0 | 0 | 113.7 | W49 R62 R63 L64 | W49-T60 HydrophobicContact CH2-CG2 4.07Å; T60-R62 VanDerWaalsContact C-N 3.3Å; T60-R62 PolarHBondContact O-N 2.93Å; T60-R63 WeakPolarHBondContact O-CB 3.43Å; T60-R63 PolarHBondContact O-N 3.01Å; T60-R63 VanDerWaalsContact O-N 3.14Å; T60-L64 PolarHBondContact O-N 3.43Å |
| 61 | W | 95.7 | Very high | 94.2 | Very high | 213 Ų | 213 | 55.1 Ų | 55.1 | 81% | 0.807 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -62.5 | -36.3 | -179.8 | -64.9 | 113.9 | 0 | 0 | 0 | 113.3 | G59 L64 A65 | G59-W61 PolarHBondContact O-N 3.43Å; W61-L64 HydrophobicContact CE3-CD1 3.92Å; W61-L64 HydrophobicContact CZ3-CD1 4.07Å; W61-L64 PolarHBondContact O-N 3.27Å; W61-A65 PolarHBondContact O-N 3.01Å |
| 62 | R | 96.8 | Very high | 94.4 | Very high | 38 Ų | 38 | 51.3 Ų | 51.3 | 14% | 0.143 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -68.5 | -38.5 | 176.6 | -175.6 | 61.7 | 64.2 | -165.3 | -13 | 111.2 | L58 G59 T60 A65 V66 F140 F148 D206 | L58-R62 HydrophobicContact CB-CB 4.19Å; L58-R62 HydrophobicContact CB-CG 4.03Å; L58-R62 HydrophobicContact CD1-CG 4.15Å; L58-R62 HydrophobicContact CD2-CG 3.89Å; L58-R62 HydrophobicContact CG-CG 4.23Å; G59-R62 WeakPolarHBondContact O-CB 3.32Å; G59-R62 PolarHBondContact O-N 3.41Å; T60-R62 VanDerWaalsContact C-N 3.3Å; T60-R62 PolarHBondContact O-N 2.93Å; R62-A65 PolarHBondContact O-N 3.07Å; R62-V66 VanDerWaalsContact O-CG2 3.31Å; R62-V66 WeakPolarHBondContact O-CG2 3.21Å; R62-V66 PolarHBondContact O-N 3.5Å; R62-F140 VanDerWaalsContact CD-CE1 3.45Å; R62-F140 HydrophobicContact CG-CD1 4.3Å; R62-F148 VanDerWaalsContact NH2-CE1 3.26Å; R62-D206 IonicContact CZ-OD2 3.85Å; R62-D206 IonicContact NH1-OD2 3.89Å; R62-D206 PolarHBondContact NH1-OD2 3.01Å; R62-D206 VanDerWaalsContact NH2-CG 3.26Å; R62-D206 IonicContact NH2-OD1 3.41Å; R62-D206 PolarHBondContact NH2-OD1 2.81Å; R62-D206 IonicContact NH2-OD2 2.72Å; R62-D206 PolarHBondContact NH2-OD2 3.24Å |
| 63 | R | 97.4 | Very high | 94.6 | Very high | 41 Ų | 41 | 51.2 Ų | 51.2 | 16% | 0.155 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.7 | -43.9 | 175.4 | -64.6 | 173.8 | 61.8 | -161.7 | -2.3 | 110.9 | W49 T52 G53 L58 G59 T60 A65 V66 C67 | W49-R63 HydrophobicContact CE3-CB 3.9Å; W49-R63 HydrophobicContact CH2-CB 4.47Å; W49-R63 HydrophobicContact CZ3-CB 3.63Å; W49-R63 PolarHBondContact O-NH2 2.97Å; T52-R63 PolarHBondContact OG1-NE 3.31Å; G53-R63 VanDerWaalsContact CA-CZ 3.45Å; L58-R63 HydrophobicContact CB-CG 3.77Å; L58-R63 WeakPolarHBondContact O-CD 3.21Å; G59-R63 WeakPolarHBondContact O-CG 3.23Å; G59-R63 PolarHBondContact O-N 3.28Å; T60-R63 WeakPolarHBondContact O-CB 3.43Å; T60-R63 PolarHBondContact O-N 3.01Å; T60-R63 VanDerWaalsContact O-N 3.14Å; R63-A65 PolarHBondContact O-N 3.03Å; R63-V66 PolarHBondContact O-N 3.41Å; R63-C67 PolarHBondContact O-N 3.14Å; R63-C67 PolarHBondContact O-SG 3.01Å; R63-C67 VanDerWaalsContact O-SG 3.34Å |
| 64 | L | 97.6 | Very high | 94.9 | Very high | 76 Ų | 76 | 50.2 Ų | 50.2 | 40% | 0.398 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60 | -42.9 | 174 | -68.2 | 175 | 0 | 0 | 0 | 112.3 | W49 T60 W61 V66 C67 W68 | W49-L64 HydrophobicContact CE3-CD2 4.28Å; W49-L64 HydrophobicContact CH2-CD2 4.42Å; W49-L64 HydrophobicContact CZ3-CD2 3.69Å; W49-L64 HydrophobicContact CZ3-CG 3.95Å; T60-L64 PolarHBondContact O-N 3.43Å; W61-L64 HydrophobicContact CE3-CD1 3.92Å; W61-L64 HydrophobicContact CZ3-CD1 4.07Å; W61-L64 PolarHBondContact O-N 3.27Å; L64-V66 VanDerWaalsContact C-N 3.34Å; L64-V66 PolarHBondContact O-N 3.34Å; L64-C67 WeakPolarHBondContact O-CB 3.3Å; L64-C67 PolarHBondContact O-N 3.01Å; L64-W68 PolarHBondContact O-N 3.03Å |
| 65 | A | 97.9 | Very high | 95.3 | Very high | 10 Ų | 10 | 44 Ų | 44 | 8% | 0.083 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.3 | -40.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | W61 R62 R63 W68 F69 L203 | W61-A65 PolarHBondContact O-N 3.01Å; R62-A65 PolarHBondContact O-N 3.07Å; R63-A65 PolarHBondContact O-N 3.03Å; A65-W68 WeakPolarHBondContact O-CB 3.38Å; A65-W68 PolarHBondContact O-N 3.28Å; A65-F69 WeakPolarHBondContact O-CD2 3.4Å; A65-F69 PolarHBondContact O-N 2.97Å; A65-F69 VanDerWaalsContact O-N 3.08Å; A65-L203 HydrophobicContact CB-CD2 3.62Å |
| 66 | V | 98 | Very high | 96 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67.6 | -39.3 | 176.5 | 177 | 0 | 0 | 0 | 0 | 111.1 | T48 T52 L58 R62 R63 L64 W68 F69 A70 V137 F140 | T48-V66 HydrophobicContact CG2-CB 4.49Å; T48-V66 HydrophobicContact CG2-CG1 3.67Å; T52-V66 HydrophobicContact CG2-CB 4.36Å; T52-V66 HydrophobicContact CG2-CG1 3.91Å; L58-V66 HydrophobicContact CD1-CG2 4.17Å; R62-V66 VanDerWaalsContact O-CG2 3.31Å; R62-V66 WeakPolarHBondContact O-CG2 3.21Å; R62-V66 PolarHBondContact O-N 3.5Å; R63-V66 PolarHBondContact O-N 3.41Å; L64-V66 VanDerWaalsContact C-N 3.34Å; L64-V66 PolarHBondContact O-N 3.34Å; V66-W68 VanDerWaalsContact C-N 3.34Å; V66-F69 PolarHBondContact O-N 3.48Å; V66-A70 PolarHBondContact O-N 2.95Å; V66-V137 HydrophobicContact CG1-CB 4.24Å; V66-V137 HydrophobicContact CG1-CG1 3.85Å; V66-V137 HydrophobicContact CG1-CG2 4.1Å; V66-F140 HydrophobicContact CG2-CB 3.61Å; V66-F140 HydrophobicContact CG2-CD1 4.46Å; V66-F140 HydrophobicContact CG2-CD2 4.13Å; V66-F140 HydrophobicContact CG2-CG 3.82Å |
| 67 | C | 98.3 | Very high | 96.8 | Very high | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.014 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.7 | -42 | 171.5 | -70.7 | 0 | 0 | 0 | 0 | 112.1 | L45 R63 L64 F69 A70 V71 | L45-C67 HydrophobicContact CG-CB 4.05Å; L45-C67 PolarHBondContact O-SG 3.08Å; L45-C67 VanDerWaalsContact O-SG 3.32Å; R63-C67 PolarHBondContact O-N 3.14Å; R63-C67 PolarHBondContact O-SG 3.01Å; R63-C67 VanDerWaalsContact O-SG 3.34Å; L64-C67 WeakPolarHBondContact O-CB 3.3Å; L64-C67 PolarHBondContact O-N 3.01Å; C67-F69 PolarHBondContact O-N 2.86Å; C67-A70 WeakPolarHBondContact O-CB 3.34Å; C67-A70 PolarHBondContact O-N 2.86Å; C67-V71 WeakPolarHBondContact O-CG2 3.44Å; C67-V71 PolarHBondContact O-N 3.16Å |
| 68 | W | 98.4 | Very high | 97.3 | Very high | 36 Ų | 36 | 35.7 Ų | 35.7 | 14% | 0.136 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -56.8 | -48.3 | 174.2 | 167.2 | -99.6 | 0 | 0 | 0 | 111.6 | L64 A65 V66 A70 V71 C72 L195 W196 I199 P200 L203 | L64-W68 PolarHBondContact O-N 3.03Å; A65-W68 WeakPolarHBondContact O-CB 3.38Å; A65-W68 PolarHBondContact O-N 3.28Å; V66-W68 VanDerWaalsContact C-N 3.34Å; W68-A70 VanDerWaalsContact C-N 3.31Å; W68-A70 PolarHBondContact O-N 3.37Å; W68-V71 PolarHBondContact O-N 3.42Å; W68-C72 PolarHBondContact NE1-SG 3.49Å; W68-C72 VanDerWaalsContact NE1-SG 3.37Å; W68-C72 PolarHBondContact O-N 3.23Å; W68-C72 PolarHBondContact O-SG 3.13Å; W68-L195 HydrophobicContact CH2-CB 4.45Å; W68-W196 HydrophobicContact CH2-CD2 4.22Å; W68-W196 HydrophobicContact CH2-CG 4.41Å; W68-I199 HydrophobicContact CD2-CB 4.38Å; W68-I199 HydrophobicContact CD2-CD1 4.18Å; W68-I199 HydrophobicContact CD2-CG2 3.65Å; W68-I199 HydrophobicContact CE3-CD1 3.61Å; W68-I199 HydrophobicContact CE3-CG2 4.21Å; W68-I199 HydrophobicContact CG-CG2 3.85Å; W68-I199 HydrophobicContact CH2-CB 4.41Å; W68-I199 HydrophobicContact CH2-CD1 3.86Å; W68-I199 HydrophobicContact CZ2-CB 4.14Å; W68-I199 HydrophobicContact CZ2-CD1 4.39Å; W68-I199 HydrophobicContact CZ2-CG2 4.15Å; W68-I199 HydrophobicContact CZ3-CD1 3.44Å; W68-I199 VanDerWaalsContact CZ3-CD1 3.44Å; W68-P200 HydrophobicContact CZ2-CG 4.31Å; W68-L203 HydrophobicContact CG-CD1 4.47Å |
| 69 | F | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.8 | -33.9 | 176.1 | -78.6 | -67.6 | 0 | 0 | 0 | 113 | A65 V66 C67 C72 G73 S133 T136 V137 Q151 I154 L203 | A65-F69 WeakPolarHBondContact O-CD2 3.4Å; A65-F69 PolarHBondContact O-N 2.97Å; A65-F69 VanDerWaalsContact O-N 3.08Å; V66-F69 PolarHBondContact O-N 3.48Å; C67-F69 PolarHBondContact O-N 2.86Å; F69-C72 PolarHBondContact O-N 3.4Å; F69-G73 PolarHBondContact O-N 2.83Å; F69-S133 VanDerWaalsContact O-CB 3.3Å; F69-S133 WeakPolarHBondContact O-CB 3.34Å; F69-T136 HydrophobicContact CD1-CG2 4.14Å; F69-T136 HydrophobicContact CD2-CG2 3.66Å; F69-T136 HydrophobicContact CE1-CG2 4.29Å; F69-T136 HydrophobicContact CE2-CG2 3.83Å; F69-T136 HydrophobicContact CG-CG2 3.84Å; F69-T136 HydrophobicContact CZ-CG2 4.15Å; F69-V137 HydrophobicContact CB-CG2 3.82Å; F69-Q151 HydrophobicContact CE2-CB 4.21Å; F69-Q151 HydrophobicContact CE2-CG 3.81Å; F69-Q151 HydrophobicContact CZ-CB 4.14Å; F69-Q151 HydrophobicContact CZ-CG 3.82Å; F69-I154 HydrophobicContact CD1-CD1 4.48Å; F69-I154 HydrophobicContact CD1-CG2 4.45Å; F69-I154 HydrophobicContact CE1-CB 4.03Å; F69-I154 HydrophobicContact CE1-CD1 4.12Å; F69-I154 HydrophobicContact CE1-CG2 3.85Å; F69-L203 HydrophobicContact CE2-CD1 3.87Å; F69-L203 HydrophobicContact CZ-CD1 3.95Å |
| 70 | A | 98.4 | Very high | 97.8 | Very high | 3 Ų | 3 | 32.7 Ų | 32.7 | 3% | 0.025 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.2 | -42.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | T48 V66 C67 W68 G73 F74 V137 | T48-A70 HydrophobicContact CG2-CB 4.06Å; T48-A70 WeakPolarHBondContact OG1-CB 3.5Å; V66-A70 PolarHBondContact O-N 2.95Å; C67-A70 WeakPolarHBondContact O-CB 3.34Å; C67-A70 PolarHBondContact O-N 2.86Å; W68-A70 VanDerWaalsContact C-N 3.31Å; W68-A70 PolarHBondContact O-N 3.37Å; A70-G73 PolarHBondContact O-N 3.22Å; A70-F74 PolarHBondContact O-N 3.39Å; A70-F74 VanDerWaalsContact O-N 3.16Å; A70-V137 HydrophobicContact CB-CG2 4.06Å |
| 71 | V | 98.3 | Very high | 98 | Very high | 20 Ų | 20 | 29.1 Ų | 29.1 | 12% | 0.121 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -66.3 | -42.6 | 174.8 | 175.6 | 0 | 0 | 0 | 0 | 111.1 | F44 L45 C67 W68 G73 F74 I75 | F44-V71 HydrophobicContact CB-CG2 4.37Å; L45-V71 HydrophobicContact CB-CG2 4.22Å; C67-V71 WeakPolarHBondContact O-CG2 3.44Å; C67-V71 PolarHBondContact O-N 3.16Å; W68-V71 PolarHBondContact O-N 3.42Å; V71-G73 VanDerWaalsContact C-N 3.32Å; V71-G73 PolarHBondContact O-N 3.01Å; V71-F74 WeakPolarHBondContact O-CB 3.5Å; V71-F74 PolarHBondContact O-N 3.45Å; V71-I75 HydrophobicContact CG1-CD1 3.75Å; V71-I75 HydrophobicContact CG1-CG1 4.32Å; V71-I75 WeakPolarHBondContact O-CG1 3.37Å; V71-I75 PolarHBondContact O-N 3Å |
| 72 | C | 98.4 | Very high | 98.1 | Very high | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.007 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -58 | -44.6 | 173.8 | -67.6 | 0 | 0 | 0 | 0 | 111.7 | W68 F69 F74 I75 H76 Q158 | W68-C72 PolarHBondContact NE1-SG 3.49Å; W68-C72 VanDerWaalsContact NE1-SG 3.37Å; W68-C72 PolarHBondContact O-N 3.23Å; W68-C72 PolarHBondContact O-SG 3.13Å; F69-C72 PolarHBondContact O-N 3.4Å; C72-F74 VanDerWaalsContact C-N 3.3Å; C72-F74 PolarHBondContact O-N 2.93Å; C72-I75 PolarHBondContact O-N 3.42Å; C72-H76 VanDerWaalsContact O-CB 3.29Å; C72-H76 WeakPolarHBondContact O-CB 3.36Å; C72-H76 PolarHBondContact O-CD2 2.93Å; C72-H76 PolarHBondContact O-N 3.42Å; C72-Q158 PolarHBondContact SG-NE2 3.39Å; C72-Q158 VanDerWaalsContact SG-NE2 3.39Å |
| 73 | G | 98.3 | Very high | 98.2 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -56.3 | -45.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | F69 A70 V71 S77 F134 | F69-G73 PolarHBondContact O-N 2.83Å; A70-G73 PolarHBondContact O-N 3.22Å; V71-G73 VanDerWaalsContact C-N 3.32Å; V71-G73 PolarHBondContact O-N 3.01Å; G73-S77 WeakPolarHBondContact O-CB 3.36Å; G73-S77 PolarHBondContact O-N 2.98Å; G73-S77 PolarHBondContact O-OG 3.4Å; G73-F134 VanDerWaalsContact C-CE2 3.42Å; G73-F134 WeakPolarHBondContact O-CE2 3.43Å |
| 74 | F | 98.1 | Very high | 98.2 | Very high | 9 Ų | 9 | 18.9 Ų | 18.9 | 4% | 0.039 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -62.7 | -52.3 | 175.7 | 166.8 | -114.9 | 0 | 0 | 0 | 112.5 | V40 F44 A70 V71 C72 V78 I79 | V40-F74 HydrophobicContact CB-CE1 4.12Å; V40-F74 HydrophobicContact CB-CZ 3.91Å; V40-F74 HydrophobicContact CG1-CD1 4.31Å; V40-F74 HydrophobicContact CG1-CD2 4.12Å; V40-F74 HydrophobicContact CG1-CE1 3.77Å; V40-F74 HydrophobicContact CG1-CE2 3.56Å; V40-F74 HydrophobicContact CG1-CG 4.47Å; V40-F74 HydrophobicContact CG1-CZ 3.37Å; F44-F74 HydrophobicContact CD1-CB 4.31Å; F44-F74 HydrophobicContact CD2-CB 3.77Å; F44-F74 HydrophobicContact CD2-CD1 4.33Å; F44-F74 HydrophobicContact CD2-CD2 4.16Å; F44-F74 AromaticContact CD2-CG 3.81Å; F44-F74 HydrophobicContact CD2-CG 3.81Å; F44-F74 HydrophobicContact CE1-CB 4.24Å; F44-F74 HydrophobicContact CE2-CB 3.7Å; F44-F74 HydrophobicContact CE2-CD1 4.5Å; F44-F74 AromaticContact CE2-CD2 3.54Å; F44-F74 HydrophobicContact CE2-CD2 3.54Å; F44-F74 HydrophobicContact CE2-CE2 4.33Å; F44-F74 AromaticContact CE2-CG 3.64Å; F44-F74 HydrophobicContact CE2-CG 3.64Å; F44-F74 HydrophobicContact CG-CB 4.1Å; F44-F74 HydrophobicContact CZ-CB 3.95Å; F44-F74 HydrophobicContact CZ-CD2 4.11Å; F44-F74 HydrophobicContact CZ-CG 4.29Å; A70-F74 PolarHBondContact O-N 3.39Å; A70-F74 VanDerWaalsContact O-N 3.16Å; V71-F74 WeakPolarHBondContact O-CB 3.5Å; V71-F74 PolarHBondContact O-N 3.45Å; C72-F74 VanDerWaalsContact C-N 3.3Å; C72-F74 PolarHBondContact O-N 2.93Å; F74-V78 HydrophobicContact CD2-CB 3.97Å; F74-V78 HydrophobicContact CD2-CG2 3.79Å; F74-V78 HydrophobicContact CE2-CB 3.89Å; F74-V78 HydrophobicContact CE2-CG1 4.02Å; F74-V78 HydrophobicContact CE2-CG2 4.08Å; F74-V78 VanDerWaalsContact O-CB 3.26Å; F74-V78 WeakPolarHBondContact O-CB 3.37Å; F74-V78 PolarHBondContact O-N 3.47Å; F74-I79 HydrophobicContact CE1-CD1 3.89Å; F74-I79 HydrophobicContact CE1-CG1 4.4Å; F74-I79 HydrophobicContact CZ-CD1 4.11Å; F74-I79 HydrophobicContact CZ-CG1 4.23Å |
| 75 | I | 98.2 | Very high | 98.2 | Very high | 22 Ų | 22 | 21.5 Ų | 21.5 | 11% | 0.113 | 12% | 0.119 | C | C | . | . | I | π-helix | trans | -61.4 | -53.2 | -176.6 | -66 | 173.4 | 0 | 0 | 0 | 110.2 | V71 C72 I79 E80 W196 | V71-I75 HydrophobicContact CG1-CD1 3.75Å; V71-I75 HydrophobicContact CG1-CG1 4.32Å; V71-I75 WeakPolarHBondContact O-CG1 3.37Å; V71-I75 PolarHBondContact O-N 3Å; C72-I75 PolarHBondContact O-N 3.42Å; I75-I79 HydrophobicContact CG1-CD1 4.23Å; I75-I79 WeakPolarHBondContact O-CA 2.96Å; I75-I79 VanDerWaalsContact O-CB 3.29Å; I75-I79 WeakPolarHBondContact O-CB 3.36Å; I75-I79 PolarHBondContact O-N 2.86Å; I75-E80 HydrophobicContact CG2-CG 4.38Å; I75-E80 WeakPolarHBondContact CG2-OE1 3.34Å; I75-E80 PolarHBondContact O-N 2.94Å; I75-W196 HydrophobicContact CD1-CH2 3.91Å; I75-W196 HydrophobicContact CD1-CZ2 3.69Å; I75-W196 HydrophobicContact CG2-CZ2 4.23Å |
| 76 | H | 98.4 | Very high | 98.2 | Very high | 4 Ų | 4 | 25.4 Ų | 25.4 | 2% | 0.019 | 13% | 0.132 | C | C | . | . | I | π-helix | trans | -65.4 | -45.9 | -177.1 | -59.8 | -37.3 | 0 | 0 | 0 | 112 | C72 E80 G81 A126 G130 Q158 W196 | C72-H76 VanDerWaalsContact O-CB 3.29Å; C72-H76 WeakPolarHBondContact O-CB 3.36Å; C72-H76 PolarHBondContact O-CD2 2.93Å; C72-H76 PolarHBondContact O-N 3.42Å; H76-E80 WeakPolarHBondContact CA-OE2 3.19Å; H76-E80 IonicContact CE1-OE1 3.8Å; H76-E80 PolarHBondContact CE1-OE1 3.4Å; H76-E80 IonicContact CE1-OE2 2.78Å; H76-E80 IonicContact CG-OE1 3.6Å; H76-E80 IonicContact CG-OE2 3.47Å; H76-E80 IonicContact ND1-OE1 3.47Å; H76-E80 PolarHBondContact ND1-OE1 2.76Å; H76-E80 IonicContact ND1-OE2 3.87Å; H76-E80 PolarHBondContact ND1-OE2 3.46Å; H76-G81 PolarHBondContact O-N 3.29Å; H76-A126 WeakPolarHBondContact O-CA 3.29Å; H76-A126 WeakPolarHBondContact O-CB 3.4Å; H76-G130 VanDerWaalsContact CB-CA 3.49Å; H76-Q158 PolarHBondContact NE2-NE2 2.99Å; H76-W196 AromaticContact CE1-NE1 3.52Å; H76-W196 AromaticContact NE2-NE1 3.9Å |
| 77 | S | 97.9 | Very high | 98.2 | Very high | 42 Ų | 42 | 28.5 Ų | 28.5 | 29% | 0.294 | 14% | 0.144 | S | C | . | . | I | π-helix | trans | -76.7 | -34.6 | -176.3 | -65.9 | 0 | 0 | 0 | 0 | 114 | G73 G130 | G73-S77 WeakPolarHBondContact O-CB 3.36Å; G73-S77 PolarHBondContact O-N 2.98Å; G73-S77 PolarHBondContact O-OG 3.4Å; S77-G130 VanDerWaalsContact OG-CA 3.29Å; S77-G130 WeakPolarHBondContact OG-CA 3.49Å |
| 78 | V | 97.9 | Very high | 98.1 | Very high | 62 Ų | 62 | 34.2 Ų | 34.2 | 38% | 0.376 | 17% | 0.174 | S | C | . | . | I | π-helix | trans | -100.2 | -50.8 | -173.7 | -176.9 | 0 | 0 | 0 | 0 | 111.5 | F74 W82 L97 | F74-V78 HydrophobicContact CD2-CB 3.97Å; F74-V78 HydrophobicContact CD2-CG2 3.79Å; F74-V78 HydrophobicContact CE2-CB 3.89Å; F74-V78 HydrophobicContact CE2-CG1 4.02Å; F74-V78 HydrophobicContact CE2-CG2 4.08Å; F74-V78 VanDerWaalsContact O-CB 3.26Å; F74-V78 WeakPolarHBondContact O-CB 3.37Å; F74-V78 PolarHBondContact O-N 3.47Å; V78-W82 WeakPolarHBondContact O-CB 3.25Å; V78-W82 PolarHBondContact O-N 3.01Å; V78-L97 HydrophobicContact CG1-CD1 3.96Å |
| 79 | I | 98.1 | Very high | 98 | Very high | 7 Ų | 7 | 36.9 Ų | 36.9 | 4% | 0.036 | 19% | 0.19 | C | C | . | . | I | π-helix | trans | -79.2 | -56.7 | -172.9 | -53.6 | -177.2 | 0 | 0 | 0 | 109.6 | L37 F74 I75 W82 F83 L100 W101 | L37-I79 HydrophobicContact CD1-CD1 3.37Å; F74-I79 HydrophobicContact CE1-CD1 3.89Å; F74-I79 HydrophobicContact CE1-CG1 4.4Å; F74-I79 HydrophobicContact CZ-CD1 4.11Å; F74-I79 HydrophobicContact CZ-CG1 4.23Å; I75-I79 HydrophobicContact CG1-CD1 4.23Å; I75-I79 WeakPolarHBondContact O-CA 2.96Å; I75-I79 VanDerWaalsContact O-CB 3.29Å; I75-I79 WeakPolarHBondContact O-CB 3.36Å; I75-I79 PolarHBondContact O-N 2.86Å; I79-W82 WeakPolarHBondContact O-CB 3.21Å; I79-W82 PolarHBondContact O-N 3.15Å; I79-F83 PolarHBondContact O-N 3.19Å; I79-F83 VanDerWaalsContact O-N 3.13Å; I79-L100 HydrophobicContact CD1-CD1 4.43Å; I79-L100 HydrophobicContact CG2-CD2 3.77Å; I79-W101 HydrophobicContact CG2-CZ2 3.72Å; I79-W101 PolarHBondContact O-NE1 3.05Å |
| 80 | E | 98.5 | Very high | 97.9 | Very high | 14 Ų | 14 | 36.9 Ų | 36.9 | 7% | 0.065 | 19% | 0.19 | C | C | . | . | I | π-helix | trans | -68.6 | -38 | 178.1 | -57.2 | 170.7 | -162.1 | 0 | 0 | 110.9 | I75 H76 W82 F83 C84 W101 E122 T125 A126 | I75-E80 HydrophobicContact CG2-CG 4.38Å; I75-E80 WeakPolarHBondContact CG2-OE1 3.34Å; I75-E80 PolarHBondContact O-N 2.94Å; H76-E80 WeakPolarHBondContact CA-OE2 3.19Å; H76-E80 IonicContact CE1-OE1 3.8Å; H76-E80 PolarHBondContact CE1-OE1 3.4Å; H76-E80 IonicContact CE1-OE2 2.78Å; H76-E80 IonicContact CG-OE1 3.6Å; H76-E80 IonicContact CG-OE2 3.47Å; H76-E80 IonicContact ND1-OE1 3.47Å; H76-E80 PolarHBondContact ND1-OE1 2.76Å; H76-E80 IonicContact ND1-OE2 3.87Å; H76-E80 PolarHBondContact ND1-OE2 3.46Å; E80-W82 VanDerWaalsContact C-N 3.28Å; E80-W82 PolarHBondContact O-N 3Å; E80-F83 WeakPolarHBondContact O-CB 3.3Å; E80-F83 PolarHBondContact O-N 3.07Å; E80-F83 VanDerWaalsContact O-N 3.1Å; E80-C84 PolarHBondContact O-N 3Å; E80-C84 PolarHBondContact O-SG 3.07Å; E80-W101 HydrophobicContact CB-CZ2 4.48Å; E80-W101 HydrophobicContact CG-CH2 4.34Å; E80-W101 HydrophobicContact CG-CZ2 4.11Å; E80-E122 WeakPolarHBondContact CB-OE2 3.46Å; E80-E122 WeakPolarHBondContact CG-OE2 3.32Å; E80-T125 WeakPolarHBondContact OE2-CB 3.37Å; E80-T125 PolarHBondContact OE2-OG1 3.19Å; E80-A126 HydrophobicContact CB-CB 4.44Å |
| 81 | G | 98.3 | Very high | 97.9 | Very high | 11 Ų | 11 | 37.1 Ų | 37.1 | 11% | 0.113 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -55.8 | -40.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | H76 C84 L85 | H76-G81 PolarHBondContact O-N 3.29Å; G81-C84 PolarHBondContact O-N 2.98Å; G81-L85 VanDerWaalsContact O-CG 3.3Å; G81-L85 WeakPolarHBondContact O-CG 3.49Å; G81-L85 PolarHBondContact O-N 3.02Å |
| 82 | W | 98.6 | Very high | 97.9 | Very high | 55 Ų | 55 | 37.5 Ų | 37.5 | 21% | 0.208 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.4 | -45.9 | 173.8 | -178.8 | -83.6 | 0 | 0 | 0 | 112 | V78 I79 E80 C84 L85 Y86 S95 L97 S98 | V78-W82 WeakPolarHBondContact O-CB 3.25Å; V78-W82 PolarHBondContact O-N 3.01Å; I79-W82 WeakPolarHBondContact O-CB 3.21Å; I79-W82 PolarHBondContact O-N 3.15Å; E80-W82 VanDerWaalsContact C-N 3.28Å; E80-W82 PolarHBondContact O-N 3Å; W82-C84 VanDerWaalsContact C-N 3.32Å; W82-C84 PolarHBondContact O-N 3.42Å; W82-L85 PolarHBondContact O-N 2.71Å; W82-Y86 AromaticContact CD2-CD2 3.46Å; W82-Y86 HydrophobicContact CD2-CD2 3.46Å; W82-Y86 VanDerWaalsContact CD2-CD2 3.46Å; W82-Y86 AromaticContact CD2-CE2 3.83Å; W82-Y86 HydrophobicContact CD2-CE2 3.83Å; W82-Y86 HydrophobicContact CD2-CG 4.45Å; W82-Y86 AromaticContact CE2-CD2 3.51Å; W82-Y86 AromaticContact CE3-CD2 3.71Å; W82-Y86 HydrophobicContact CE3-CD2 3.71Å; W82-Y86 AromaticContact CE3-CE2 3.53Å; W82-Y86 HydrophobicContact CE3-CE2 3.53Å; W82-Y86 AromaticContact CG-CD2 3.93Å; W82-Y86 HydrophobicContact CG-CD2 3.93Å; W82-Y86 HydrophobicContact CH2-CD2 4.06Å; W82-Y86 AromaticContact CH2-CE2 3.85Å; W82-Y86 HydrophobicContact CH2-CE2 3.85Å; W82-Y86 AromaticContact CZ2-CD2 3.82Å; W82-Y86 HydrophobicContact CZ2-CD2 3.82Å; W82-Y86 HydrophobicContact CZ2-CE2 4.11Å; W82-Y86 HydrophobicContact CZ2-CG 4.22Å; W82-Y86 HydrophobicContact CZ3-CD2 4.01Å; W82-Y86 AromaticContact CZ3-CE2 3.56Å; W82-Y86 HydrophobicContact CZ3-CE2 3.56Å; W82-Y86 AromaticContact NE1-CD2 3.97Å; W82-Y86 WeakPolarHBondContact O-CB 3.35Å; W82-Y86 VanDerWaalsContact O-CD2 3.31Å; W82-Y86 WeakPolarHBondContact O-CD2 3.26Å; W82-Y86 PolarHBondContact O-N 2.86Å; W82-S95 VanDerWaalsContact CZ2-CB 3.44Å; W82-L97 HydrophobicContact CB-CB 4.09Å; W82-L97 HydrophobicContact CB-CD1 3.77Å; W82-L97 HydrophobicContact CD2-CB 3.65Å; W82-L97 HydrophobicContact CD2-CD1 3.78Å; W82-L97 HydrophobicContact CD2-CG 4.32Å; W82-L97 HydrophobicContact CE3-CB 4.34Å; W82-L97 HydrophobicContact CE3-CD1 3.74Å; W82-L97 HydrophobicContact CG-CB 3.48Å; W82-L97 VanDerWaalsContact CG-CB 3.48Å; W82-L97 HydrophobicContact CG-CD1 3.81Å; W82-L97 HydrophobicContact CG-CG 4.29Å; W82-S98 PolarHBondContact NE1-OG 3.15Å |
| 83 | F | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -56.2 | -47.9 | 176 | 171.2 | -112.7 | 0 | 0 | 0 | 111.5 | I79 E80 L85 Y86 Y87 L90 W101 Y111 V119 E122 | I79-F83 PolarHBondContact O-N 3.19Å; I79-F83 VanDerWaalsContact O-N 3.13Å; E80-F83 WeakPolarHBondContact O-CB 3.3Å; E80-F83 PolarHBondContact O-N 3.07Å; E80-F83 VanDerWaalsContact O-N 3.1Å; F83-L85 PolarHBondContact O-N 2.94Å; F83-Y86 PolarHBondContact O-N 3.41Å; F83-Y87 WeakPolarHBondContact O-CA 3.36Å; F83-Y87 VanDerWaalsContact O-CB 3.25Å; F83-Y87 WeakPolarHBondContact O-CB 3.45Å; F83-Y87 PolarHBondContact O-N 3.44Å; F83-L90 HydrophobicContact CD2-CD2 4.31Å; F83-L90 HydrophobicContact CE2-CD2 4.42Å; F83-W101 HydrophobicContact CB-CD2 4.02Å; F83-W101 VanDerWaalsContact CB-CE2 3.46Å; F83-W101 HydrophobicContact CB-CG 4.36Å; F83-W101 HydrophobicContact CB-CH2 4.45Å; F83-W101 HydrophobicContact CB-CZ2 3.7Å; F83-W101 HydrophobicContact CD2-CD2 4.38Å; F83-W101 HydrophobicContact CG-CD2 4.4Å; F83-W101 HydrophobicContact CG-CZ2 4.33Å; F83-Y111 HydrophobicContact CD1-CD1 4.23Å; F83-Y111 HydrophobicContact CD1-CE1 4.42Å; F83-Y111 HydrophobicContact CD2-CD1 4.21Å; F83-Y111 AromaticContact CE1-CD1 3.87Å; F83-Y111 HydrophobicContact CE1-CD1 3.87Å; F83-Y111 HydrophobicContact CE1-CE1 4.15Å; F83-Y111 AromaticContact CE2-CD1 3.87Å; F83-Y111 HydrophobicContact CE2-CD1 3.87Å; F83-Y111 WeakPolarHBondContact CE2-O 3.37Å; F83-Y111 HydrophobicContact CG-CD1 4.38Å; F83-Y111 AromaticContact CZ-CD1 3.69Å; F83-Y111 HydrophobicContact CZ-CD1 3.69Å; F83-Y111 HydrophobicContact CZ-CE1 4.4Å; F83-Y111 HydrophobicContact CZ-CG 4.48Å; F83-V119 HydrophobicContact CE1-CG2 4.12Å; F83-V119 HydrophobicContact CZ-CG2 3.83Å; F83-E122 HydrophobicContact CD1-CB 3.71Å; F83-E122 HydrophobicContact CD1-CG 3.81Å; F83-E122 HydrophobicContact CE1-CB 3.96Å; F83-E122 HydrophobicContact CE1-CG 3.84Å |
| 84 | C | 97.4 | Very high | 97.8 | Very high | 23 Ų | 23 | 41.9 Ų | 41.9 | 16% | 0.155 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.9 | -30.2 | -178 | -60.3 | 0 | 0 | 0 | 0 | 113.6 | E80 G81 W82 Y87 E122 T123 | E80-C84 PolarHBondContact O-N 3Å; E80-C84 PolarHBondContact O-SG 3.07Å; G81-C84 PolarHBondContact O-N 2.98Å; W82-C84 VanDerWaalsContact C-N 3.32Å; W82-C84 PolarHBondContact O-N 3.42Å; C84-Y87 WeakPolarHBondContact O-CD1 3.21Å; C84-E122 PolarHBondContact SG-O 2.98Å; C84-T123 WeakPolarHBondContact SG-CA 3.26Å; C84-T123 PolarHBondContact SG-N 3.33Å |
| 85 | L | 98 | Very high | 97.8 | Very high | 131 Ų | 131 | 43.6 Ų | 43.6 | 69% | 0.686 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -85.6 | -25.1 | 179.3 | -67.4 | 173 | 0 | 0 | 0 | 113.2 | G81 W82 F83 | G81-L85 VanDerWaalsContact O-CG 3.3Å; G81-L85 WeakPolarHBondContact O-CG 3.49Å; G81-L85 PolarHBondContact O-N 3.02Å; W82-L85 PolarHBondContact O-N 2.71Å; F83-L85 PolarHBondContact O-N 2.94Å |
| 86 | Y | 98.1 | Very high | 97.8 | Very high | 91 Ų | 91 | 45.5 Ų | 45.5 | 36% | 0.357 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -131.7 | 9.9 | -166.5 | -59.7 | -70.9 | 0 | 0 | 0 | 114.8 | W82 F83 D88 I89 L90 | W82-Y86 AromaticContact CD2-CD2 3.46Å; W82-Y86 HydrophobicContact CD2-CD2 3.46Å; W82-Y86 VanDerWaalsContact CD2-CD2 3.46Å; W82-Y86 AromaticContact CD2-CE2 3.83Å; W82-Y86 HydrophobicContact CD2-CE2 3.83Å; W82-Y86 HydrophobicContact CD2-CG 4.45Å; W82-Y86 AromaticContact CE2-CD2 3.51Å; W82-Y86 AromaticContact CE3-CD2 3.71Å; W82-Y86 HydrophobicContact CE3-CD2 3.71Å; W82-Y86 AromaticContact CE3-CE2 3.53Å; W82-Y86 HydrophobicContact CE3-CE2 3.53Å; W82-Y86 AromaticContact CG-CD2 3.93Å; W82-Y86 HydrophobicContact CG-CD2 3.93Å; W82-Y86 HydrophobicContact CH2-CD2 4.06Å; W82-Y86 AromaticContact CH2-CE2 3.85Å; W82-Y86 HydrophobicContact CH2-CE2 3.85Å; W82-Y86 AromaticContact CZ2-CD2 3.82Å; W82-Y86 HydrophobicContact CZ2-CD2 3.82Å; W82-Y86 HydrophobicContact CZ2-CE2 4.11Å; W82-Y86 HydrophobicContact CZ2-CG 4.22Å; W82-Y86 HydrophobicContact CZ3-CD2 4.01Å; W82-Y86 AromaticContact CZ3-CE2 3.56Å; W82-Y86 HydrophobicContact CZ3-CE2 3.56Å; W82-Y86 AromaticContact NE1-CD2 3.97Å; W82-Y86 WeakPolarHBondContact O-CB 3.35Å; W82-Y86 VanDerWaalsContact O-CD2 3.31Å; W82-Y86 WeakPolarHBondContact O-CD2 3.26Å; W82-Y86 PolarHBondContact O-N 2.86Å; F83-Y86 PolarHBondContact O-N 3.41Å; Y86-D88 PolarHBondContact O-N 2.91Å; Y86-D88 VanDerWaalsContact O-N 3.14Å; Y86-I89 HydrophobicContact CD1-CD1 3.81Å; Y86-I89 HydrophobicContact CD1-CG1 4.33Å; Y86-I89 HydrophobicContact CG-CD1 4.48Å; Y86-I89 VanDerWaalsContact O-CG1 3.31Å; Y86-I89 WeakPolarHBondContact O-CG1 3.39Å; Y86-I89 PolarHBondContact O-N 3.45Å; Y86-I89 VanDerWaalsContact O-N 3.11Å; Y86-L90 PolarHBondContact O-N 3.1Å; Y86-L90 VanDerWaalsContact O-N 3.08Å |
| 87 | Y | 97.1 | Very high | 97.8 | Very high | 66 Ų | 66 | 46.4 Ų | 46.4 | 26% | 0.259 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -34.8 | -178.1 | 65.8 | -98.5 | 0 | 0 | 0 | 112.9 | F83 C84 I89 L90 A114 V119 | F83-Y87 WeakPolarHBondContact O-CA 3.36Å; F83-Y87 VanDerWaalsContact O-CB 3.25Å; F83-Y87 WeakPolarHBondContact O-CB 3.45Å; F83-Y87 PolarHBondContact O-N 3.44Å; C84-Y87 WeakPolarHBondContact O-CD1 3.21Å; Y87-I89 VanDerWaalsContact C-N 3.32Å; Y87-I89 PolarHBondContact O-N 2.91Å; Y87-L90 VanDerWaalsContact O-CB 3.26Å; Y87-L90 WeakPolarHBondContact O-CB 3.25Å; Y87-L90 PolarHBondContact O-N 3.42Å; Y87-A114 HydrophobicContact CD2-CB 3.41Å; Y87-A114 VanDerWaalsContact CD2-CB 3.41Å; Y87-A114 HydrophobicContact CE2-CB 4.06Å; Y87-A114 HydrophobicContact CG-CB 4.21Å; Y87-V119 HydrophobicContact CD1-CG1 4.04Å; Y87-V119 HydrophobicContact CD1-CG2 4.3Å; Y87-V119 HydrophobicContact CD2-CG2 4.23Å; Y87-V119 HydrophobicContact CE1-CG1 3.73Å; Y87-V119 HydrophobicContact CE2-CG2 4.49Å; Y87-V119 HydrophobicContact CG-CG2 4.14Å |
| 88 | D | 95.6 | Very high | 97.8 | Very high | 121 Ų | 121 | 44.4 Ų | 44.4 | 65% | 0.647 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65 | -32.4 | -179.1 | -73.9 | -43.3 | 0 | 0 | 0 | 113.6 | Y86 | Y86-D88 PolarHBondContact O-N 2.91Å; Y86-D88 VanDerWaalsContact O-N 3.14Å |
| 89 | I | 96.8 | Very high | 97.8 | Very high | 92 Ų | 92 | 41.6 Ų | 41.6 | 47% | 0.472 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | -8 | -178.7 | 65.3 | 165.9 | 0 | 0 | 0 | 112.7 | Y86 Y87 P91 G92 D93 | Y86-I89 HydrophobicContact CD1-CD1 3.81Å; Y86-I89 HydrophobicContact CD1-CG1 4.33Å; Y86-I89 HydrophobicContact CG-CD1 4.48Å; Y86-I89 VanDerWaalsContact O-CG1 3.31Å; Y86-I89 WeakPolarHBondContact O-CG1 3.39Å; Y86-I89 PolarHBondContact O-N 3.45Å; Y86-I89 VanDerWaalsContact O-N 3.11Å; Y87-I89 VanDerWaalsContact C-N 3.32Å; Y87-I89 PolarHBondContact O-N 2.91Å; I89-P91 VanDerWaalsContact C-N 3.33Å; I89-P91 VanDerWaalsContact O-N 3.16Å; I89-G92 PolarHBondContact O-N 3.34Å; I89-G92 VanDerWaalsContact O-N 3.12Å; I89-D93 HydrophobicContact CD1-CB 4.41Å; I89-D93 HydrophobicContact CG1-CB 4.41Å; I89-D93 WeakPolarHBondContact O-CB 3.45Å; I89-D93 PolarHBondContact O-N 3.46Å |
| 90 | L | 97.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49 | -42.2 | -172.2 | -174.8 | 76.7 | 0 | 0 | 0 | 114.3 | F83 Y86 Y87 G92 D93 W101 I112 | F83-L90 HydrophobicContact CD2-CD2 4.31Å; F83-L90 HydrophobicContact CE2-CD2 4.42Å; Y86-L90 PolarHBondContact O-N 3.1Å; Y86-L90 VanDerWaalsContact O-N 3.08Å; Y87-L90 VanDerWaalsContact O-CB 3.26Å; Y87-L90 WeakPolarHBondContact O-CB 3.25Å; Y87-L90 PolarHBondContact O-N 3.42Å; L90-G92 VanDerWaalsContact C-N 3.29Å; L90-G92 PolarHBondContact O-N 3.3Å; L90-D93 PolarHBondContact O-N 2.88Å; L90-W101 HydrophobicContact CD1-CB 3.58Å; L90-W101 HydrophobicContact CD1-CG 4.33Å; L90-W101 HydrophobicContact CD2-CB 3.93Å; L90-W101 HydrophobicContact CG-CB 4.31Å; L90-I112 HydrophobicContact CD2-CD1 3.83Å; L90-I112 HydrophobicContact CG-CD1 4.03Å |
| 91 | P | 97.4 | Very high | 97.8 | Very high | 9 Ų | 9 | 41.8 Ų | 41.8 | 6% | 0.058 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -33.1 | -177.4 | -23 | 34 | 0 | 0 | 0 | 114.7 | I20 S22 Y23 V24 I89 I112 | I20-P91 HydrophobicContact CG2-CB 3.51Å; I20-P91 HydrophobicContact CG2-CG 3.86Å; S22-P91 CarbonylContact O-C 3.53Å; Y23-P91 WeakPolarHBondContact CA-O 3.42Å; V24-P91 PolarHBondContact N-O 3.47Å; I89-P91 VanDerWaalsContact C-N 3.33Å; I89-P91 VanDerWaalsContact O-N 3.16Å; P91-I112 HydrophobicContact CB-CD1 4.07Å; P91-I112 HydrophobicContact CB-CG1 4.37Å; P91-I112 HydrophobicContact CG-CD1 3.9Å; P91-I112 HydrophobicContact CG-CG1 4.14Å |
| 92 | G | 97.6 | Very high | 97.8 | Very high | 28 Ų | 28 | 41.3 Ų | 41.3 | 29% | 0.289 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | -19.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | S22 I89 L90 | S22-G92 WeakPolarHBondContact O-CA 3.28Å; S22-G92 PolarHBondContact O-N 3.24Å; I89-G92 PolarHBondContact O-N 3.34Å; I89-G92 VanDerWaalsContact O-N 3.12Å; L90-G92 VanDerWaalsContact C-N 3.29Å; L90-G92 PolarHBondContact O-N 3.3Å |
| 93 | D | 98.2 | Very high | 97.8 | Very high | 35 Ų | 35 | 38.9 Ų | 38.9 | 19% | 0.187 | 20% | 0.202 | C | C | . | . | trans | -71.3 | 143.4 | -174.2 | -173.8 | 31.1 | 0 | 0 | 0 | 112.7 | I89 L90 S95 S98 K102 | I89-D93 HydrophobicContact CD1-CB 4.41Å; I89-D93 HydrophobicContact CG1-CB 4.41Å; I89-D93 WeakPolarHBondContact O-CB 3.45Å; I89-D93 PolarHBondContact O-N 3.46Å; L90-D93 PolarHBondContact O-N 2.88Å; D93-S95 PolarHBondContact OD1-N 3.45Å; D93-S95 VanDerWaalsContact OD1-N 3.16Å; D93-S95 PolarHBondContact OD1-OG 3.34Å; D93-S95 VanDerWaalsContact OD1-OG 3.13Å; D93-S95 WeakPolarHBondContact OD2-CB 3.43Å; D93-S95 PolarHBondContact OD2-OG 3.28Å; D93-S98 WeakPolarHBondContact OD2-CB 3.46Å; D93-S98 PolarHBondContact OD2-OG 3.09Å; D93-K102 WeakPolarHBondContact O-CE 3.22Å; D93-K102 PolarHBondContact O-NZ 3.39Å | ||
| 94 | Q | 98 | Very high | 97.8 | Very high | 57 Ų | 57 | 40.8 Ų | 40.8 | 27% | 0.266 | 21% | 0.209 | S | C | . | . | trans | -113.7 | 6.2 | 179.9 | -64.9 | -62.1 | -34.3 | 0 | 0 | 112.5 | V24 A25 Q99 | V24-Q94 PolarHBondContact O-NE2 3.04Å; A25-Q94 PolarHBondContact O-NE2 3.2Å; Q94-Q99 PolarHBondContact O-NE2 3.42Å | ||
| 95 | S | 97.9 | Very high | 97.9 | Very high | 46 Ų | 46 | 39.7 Ų | 39.7 | 32% | 0.322 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -56.4 | 145.8 | 167.5 | -56 | 0 | 0 | 0 | 0 | 110.8 | W82 D93 L97 S98 Q99 | W82-S95 VanDerWaalsContact CZ2-CB 3.44Å; D93-S95 PolarHBondContact OD1-N 3.45Å; D93-S95 VanDerWaalsContact OD1-N 3.16Å; D93-S95 PolarHBondContact OD1-OG 3.34Å; D93-S95 VanDerWaalsContact OD1-OG 3.13Å; D93-S95 WeakPolarHBondContact OD2-CB 3.43Å; D93-S95 PolarHBondContact OD2-OG 3.28Å; S95-L97 VanDerWaalsContact C-N 3.33Å; S95-L97 PolarHBondContact O-N 2.88Å; S95-S98 WeakPolarHBondContact O-CA 3.16Å; S95-S98 WeakPolarHBondContact O-CB 3.4Å; S95-S98 PolarHBondContact O-N 3.19Å; S95-Q99 WeakPolarHBondContact O-CG 3.5Å; S95-Q99 PolarHBondContact O-N 2.87Å |
| 96 | F | 97.6 | Very high | 97.9 | Very high | 61 Ų | 61 | 35.7 Ų | 35.7 | 27% | 0.268 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -54.3 | -46.8 | -173.3 | -173.2 | -79.8 | 0 | 0 | 0 | 113.1 | I33 F36 S98 Q99 L100 | I33-F96 HydrophobicContact CG1-CZ 4.46Å; F36-F96 HydrophobicContact CB-CE1 3.72Å; F36-F96 HydrophobicContact CB-CE2 4.21Å; F36-F96 HydrophobicContact CB-CZ 3.27Å; F36-F96 AromaticContact CD1-CD1 3.94Å; F36-F96 HydrophobicContact CD1-CD1 3.94Å; F36-F96 AromaticContact CD1-CE1 3.11Å; F36-F96 HydrophobicContact CD1-CE1 3.11Å; F36-F96 AromaticContact CD1-CZ 3.69Å; F36-F96 HydrophobicContact CD1-CZ 3.69Å; F36-F96 HydrophobicContact CD2-CE1 4.01Å; F36-F96 HydrophobicContact CD2-CZ 4.05Å; F36-F96 AromaticContact CE1-CD1 3.96Å; F36-F96 HydrophobicContact CE1-CD1 3.96Å; F36-F96 AromaticContact CE1-CE1 3.6Å; F36-F96 HydrophobicContact CE1-CE1 3.6Å; F36-F96 HydrophobicContact CE1-CZ 4.49Å; F36-F96 HydrophobicContact CE2-CE1 4.42Å; F36-F96 HydrophobicContact CG-CD1 4.23Å; F36-F96 AromaticContact CG-CE1 3.33Å; F36-F96 HydrophobicContact CG-CE1 3.33Å; F36-F96 HydrophobicContact CG-CE2 4.35Å; F36-F96 AromaticContact CG-CZ 3.4Å; F36-F96 HydrophobicContact CG-CZ 3.4Å; F36-F96 HydrophobicContact CZ-CD1 4.29Å; F36-F96 HydrophobicContact CZ-CE1 4.23Å; F96-S98 VanDerWaalsContact C-N 3.32Å; F96-S98 PolarHBondContact O-N 3.28Å; F96-Q99 WeakPolarHBondContact O-CB 3.38Å; F96-Q99 PolarHBondContact O-N 3.46Å; F96-L100 PolarHBondContact O-N 3.36Å |
| 97 | L | 97.9 | Very high | 97.9 | Very high | 23 Ų | 23 | 31.4 Ų | 31.4 | 12% | 0.12 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -67.4 | -33.2 | 179.9 | -66.9 | 178.1 | 0 | 0 | 0 | 112.1 | F36 V78 W82 S95 Q99 L100 W101 | F36-L97 HydrophobicContact CE1-CD2 4.25Å; V78-L97 HydrophobicContact CG1-CD1 3.96Å; W82-L97 HydrophobicContact CB-CB 4.09Å; W82-L97 HydrophobicContact CB-CD1 3.77Å; W82-L97 HydrophobicContact CD2-CB 3.65Å; W82-L97 HydrophobicContact CD2-CD1 3.78Å; W82-L97 HydrophobicContact CD2-CG 4.32Å; W82-L97 HydrophobicContact CE3-CB 4.34Å; W82-L97 HydrophobicContact CE3-CD1 3.74Å; W82-L97 HydrophobicContact CG-CB 3.48Å; W82-L97 VanDerWaalsContact CG-CB 3.48Å; W82-L97 HydrophobicContact CG-CD1 3.81Å; W82-L97 HydrophobicContact CG-CG 4.29Å; S95-L97 VanDerWaalsContact C-N 3.33Å; S95-L97 PolarHBondContact O-N 2.88Å; L97-Q99 VanDerWaalsContact C-N 3.35Å; L97-L100 WeakPolarHBondContact O-CB 3.49Å; L97-L100 PolarHBondContact O-N 2.95Å; L97-W101 PolarHBondContact O-N 2.8Å |
| 98 | S | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -66.3 | -38.6 | 172.2 | -62.2 | 0 | 0 | 0 | 0 | 112 | W82 D93 S95 F96 L100 W101 K102 | W82-S98 PolarHBondContact NE1-OG 3.15Å; D93-S98 WeakPolarHBondContact OD2-CB 3.46Å; D93-S98 PolarHBondContact OD2-OG 3.09Å; S95-S98 WeakPolarHBondContact O-CA 3.16Å; S95-S98 WeakPolarHBondContact O-CB 3.4Å; S95-S98 PolarHBondContact O-N 3.19Å; F96-S98 VanDerWaalsContact C-N 3.32Å; F96-S98 PolarHBondContact O-N 3.28Å; S98-L100 VanDerWaalsContact C-N 3.35Å; S98-W101 PolarHBondContact O-N 3.4Å; S98-K102 PolarHBondContact O-N 3.37Å |
| 99 | Q | 98.6 | Very high | 98.1 | Very high | 3 Ų | 3 | 22.5 Ų | 22.5 | 1% | 0.014 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -66.3 | -37.4 | 173.7 | -65.1 | -166.1 | 55.9 | 0 | 0 | 112.1 | N26 D27 R28 I33 Q94 S95 F96 L97 K102 E103 | N26-Q99 HydrophobicContact CB-CB 4.45Å; N26-Q99 HydrophobicContact CB-CG 4.39Å; N26-Q99 VanDerWaalsContact CB-OE1 3.28Å; N26-Q99 PolarHBondContact ND2-O 3.1Å; D27-Q99 VanDerWaalsContact OD1-CD 3.31Å; D27-Q99 PolarHBondContact OD1-NE2 3.34Å; D27-Q99 PolarHBondContact OD1-OE1 3.13Å; D27-Q99 VanDerWaalsContact OD1-OE1 3.08Å; R28-Q99 VanDerWaalsContact CB-OE1 3.3Å; I33-Q99 HydrophobicContact CD1-CB 4.25Å; Q94-Q99 PolarHBondContact O-NE2 3.42Å; S95-Q99 WeakPolarHBondContact O-CG 3.5Å; S95-Q99 PolarHBondContact O-N 2.87Å; F96-Q99 WeakPolarHBondContact O-CB 3.38Å; F96-Q99 PolarHBondContact O-N 3.46Å; L97-Q99 VanDerWaalsContact C-N 3.35Å; Q99-K102 PolarHBondContact O-N 3.28Å; Q99-E103 PolarHBondContact O-N 2.86Å |
| 100 | L | 98.4 | Very high | 98.1 | Very high | 13 Ų | 13 | 18.1 Ų | 18.1 | 7% | 0.068 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -58.6 | -47.6 | 171.7 | -178.1 | 159.4 | 0 | 0 | 0 | 111.1 | I33 L37 I79 F96 L97 S98 E103 Y104 | I33-L100 HydrophobicContact CG2-CB 3.86Å; I33-L100 HydrophobicContact CG2-CD1 4.35Å; I33-L100 HydrophobicContact CG2-CG 3.86Å; L37-L100 HydrophobicContact CB-CD1 4.38Å; L37-L100 HydrophobicContact CD1-CD1 4.37Å; I79-L100 HydrophobicContact CD1-CD1 4.43Å; I79-L100 HydrophobicContact CG2-CD2 3.77Å; F96-L100 PolarHBondContact O-N 3.36Å; L97-L100 WeakPolarHBondContact O-CB 3.49Å; L97-L100 PolarHBondContact O-N 2.95Å; S98-L100 VanDerWaalsContact C-N 3.35Å; L100-E103 WeakPolarHBondContact O-CB 3.4Å; L100-E103 PolarHBondContact O-N 3.22Å; L100-E103 VanDerWaalsContact O-N 3.16Å; L100-Y104 PolarHBondContact O-N 3.08Å |
| 101 | W | 98.6 | Very high | 98.2 | Very high | 12 Ų | 12 | 18.3 Ų | 18.3 | 5% | 0.045 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -66.2 | -37.1 | 177.4 | -82.5 | 113.9 | 0 | 0 | 0 | 113.1 | I79 E80 F83 L90 L97 S98 E103 Y104 S105 Y111 | I79-W101 HydrophobicContact CG2-CZ2 3.72Å; I79-W101 PolarHBondContact O-NE1 3.05Å; E80-W101 HydrophobicContact CB-CZ2 4.48Å; E80-W101 HydrophobicContact CG-CH2 4.34Å; E80-W101 HydrophobicContact CG-CZ2 4.11Å; F83-W101 HydrophobicContact CB-CD2 4.02Å; F83-W101 VanDerWaalsContact CB-CE2 3.46Å; F83-W101 HydrophobicContact CB-CG 4.36Å; F83-W101 HydrophobicContact CB-CH2 4.45Å; F83-W101 HydrophobicContact CB-CZ2 3.7Å; F83-W101 HydrophobicContact CD2-CD2 4.38Å; F83-W101 HydrophobicContact CG-CD2 4.4Å; F83-W101 HydrophobicContact CG-CZ2 4.33Å; L90-W101 HydrophobicContact CD1-CB 3.58Å; L90-W101 HydrophobicContact CD1-CG 4.33Å; L90-W101 HydrophobicContact CD2-CB 3.93Å; L90-W101 HydrophobicContact CG-CB 4.31Å; L97-W101 PolarHBondContact O-N 2.8Å; S98-W101 PolarHBondContact O-N 3.4Å; W101-E103 VanDerWaalsContact C-N 3.32Å; W101-E103 PolarHBondContact O-N 3.39Å; W101-Y104 AromaticContact CE3-CD1 3.86Å; W101-Y104 HydrophobicContact CE3-CD1 3.86Å; W101-Y104 AromaticContact CZ3-CD1 3.56Å; W101-Y104 HydrophobicContact CZ3-CD1 3.56Å; W101-Y104 AromaticContact CZ3-CE1 3.98Å; W101-Y104 HydrophobicContact CZ3-CE1 3.98Å; W101-Y104 HydrophobicContact CZ3-CG 4.42Å; W101-Y104 PolarHBondContact O-N 3.48Å; W101-S105 VanDerWaalsContact O-CB 3.27Å; W101-S105 WeakPolarHBondContact O-CB 3.46Å; W101-S105 PolarHBondContact O-N 3.31Å; W101-S105 PolarHBondContact O-OG 3.21Å; W101-Y111 AromaticContact CE3-CD1 3.56Å; W101-Y111 HydrophobicContact CE3-CD1 3.56Å; W101-Y111 HydrophobicContact CE3-CE1 4.09Å; W101-Y111 HydrophobicContact CE3-CG 4.02Å; W101-Y111 AromaticContact CH2-CD1 3.9Å; W101-Y111 HydrophobicContact CH2-CD1 3.9Å; W101-Y111 AromaticContact CH2-CE1 3.57Å; W101-Y111 HydrophobicContact CH2-CE1 3.57Å; W101-Y111 AromaticContact CZ3-CD1 3.14Å; W101-Y111 HydrophobicContact CZ3-CD1 3.14Å; W101-Y111 HydrophobicContact CZ3-CD2 4.47Å; W101-Y111 AromaticContact CZ3-CE1 3.17Å; W101-Y111 HydrophobicContact CZ3-CE1 3.17Å; W101-Y111 AromaticContact CZ3-CG 3.83Å; W101-Y111 HydrophobicContact CZ3-CG 3.83Å; W101-Y111 AromaticContact CZ3-CZ 3.91Å |
| 102 | K | 98.6 | Very high | 98.2 | Very high | 2 Ų | 2 | 18.1 Ų | 18.1 | 1% | 0.009 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -62.3 | -37.4 | 169.9 | -82.1 | -172.9 | -79.6 | 165.8 | 0 | 112.5 | F13 Y23 V24 N26 D93 S98 Q99 I112 | F13-K102 WeakPolarHBondContact CE1-O 3.39Å; Y23-K102 HydrophobicContact CE2-CD 4.19Å; V24-K102 PolarHBondContact O-NZ 3.2Å; N26-K102 WeakPolarHBondContact OD1-CB 3.38Å; N26-K102 WeakPolarHBondContact OD1-CD 3.46Å; N26-K102 WeakPolarHBondContact OD1-CE 3.37Å; N26-K102 PolarHBondContact OD1-NZ 2.82Å; D93-K102 WeakPolarHBondContact O-CE 3.22Å; D93-K102 PolarHBondContact O-NZ 3.39Å; S98-K102 PolarHBondContact O-N 3.37Å; Q99-K102 PolarHBondContact O-N 3.28Å; K102-I112 HydrophobicContact CG-CD1 3.71Å |
| 103 | E | 98.5 | Very high | 98.1 | Very high | 3 Ų | 3 | 20 Ų | 20 | 1% | 0.014 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -67.2 | -46.7 | 174.8 | 177.9 | 57.1 | -151.3 | 0 | 0 | 110.9 | M30 I33 Q99 L100 W101 S105 K106 Y184 Y188 | M30-E103 HydrophobicContact CG-CG 4.44Å; M30-E103 WeakPolarHBondContact CG-OE1 3.4Å; I33-E103 HydrophobicContact CD1-CB 3.86Å; I33-E103 HydrophobicContact CD1-CG 4.36Å; I33-E103 HydrophobicContact CG2-CB 4.36Å; I33-E103 HydrophobicContact CG2-CG 4.44Å; Q99-E103 PolarHBondContact O-N 2.86Å; L100-E103 WeakPolarHBondContact O-CB 3.4Å; L100-E103 PolarHBondContact O-N 3.22Å; L100-E103 VanDerWaalsContact O-N 3.16Å; W101-E103 VanDerWaalsContact C-N 3.32Å; W101-E103 PolarHBondContact O-N 3.39Å; E103-S105 VanDerWaalsContact C-N 3.26Å; E103-S105 PolarHBondContact O-N 3.01Å; E103-K106 WeakPolarHBondContact O-CB 3.37Å; E103-K106 PolarHBondContact O-N 3.05Å; E103-K106 WeakPolarHBondContact OE2-CE 3.2Å; E103-K106 IonicContact OE2-NZ 2.68Å; E103-K106 PolarHBondContact OE2-NZ 3.32Å; E103-Y184 WeakPolarHBondContact OE1-CE1 3.44Å; E103-Y184 PolarHBondContact OE1-OH 3.1Å; E103-Y188 HydrophobicContact CG-CE2 4.09Å; E103-Y188 PolarHBondContact OE1-OH 3.02Å |
| 104 | Y | 98.4 | Very high | 98.1 | Very high | 40 Ų | 40 | 19.5 Ų | 19.5 | 16% | 0.157 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -61.9 | -36 | 175.9 | -174.2 | -109.1 | 0 | 0 | 0 | 112.2 | L100 W101 K106 G107 D108 Y111 Y165 Y188 N193 | L100-Y104 PolarHBondContact O-N 3.08Å; W101-Y104 AromaticContact CE3-CD1 3.86Å; W101-Y104 HydrophobicContact CE3-CD1 3.86Å; W101-Y104 AromaticContact CZ3-CD1 3.56Å; W101-Y104 HydrophobicContact CZ3-CD1 3.56Å; W101-Y104 AromaticContact CZ3-CE1 3.98Å; W101-Y104 HydrophobicContact CZ3-CE1 3.98Å; W101-Y104 HydrophobicContact CZ3-CG 4.42Å; W101-Y104 PolarHBondContact O-N 3.48Å; Y104-K106 PolarHBondContact O-N 2.78Å; Y104-K106 VanDerWaalsContact O-N 3.08Å; Y104-G107 WeakPolarHBondContact O-CA 3.46Å; Y104-G107 PolarHBondContact O-N 3.03Å; Y104-D108 PolarHBondContact O-N 3.47Å; Y104-Y111 AromaticContact CD1-CD2 4Å; Y104-Y111 HydrophobicContact CD1-CD2 4Å; Y104-Y111 HydrophobicContact CD1-CE2 4.11Å; Y104-Y111 HydrophobicContact CD1-CG 4.33Å; Y104-Y111 AromaticContact CE1-CD2 3.8Å; Y104-Y111 HydrophobicContact CE1-CD2 3.8Å; Y104-Y111 HydrophobicContact CE1-CE1 4.48Å; Y104-Y111 AromaticContact CE1-CE2 3.45Å; Y104-Y111 HydrophobicContact CE1-CE2 3.45Å; Y104-Y111 VanDerWaalsContact CE1-CE2 3.45Å; Y104-Y111 HydrophobicContact CE1-CG 4.45Å; Y104-Y111 AromaticContact CE1-CZ 3.81Å; Y104-Y165 PolarHBondContact OH-OH 3.28Å; Y104-Y188 HydrophobicContact CD2-CD2 4.19Å; Y104-N193 PolarHBondContact OH-ND2 3.49Å; Y104-N193 PolarHBondContact OH-OD1 3.01Å |
| 105 | S | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -14.4 | 178.8 | -60.3 | 0 | 0 | 0 | 0 | 113.9 | F13 W101 E103 G107 D108 S109 Y111 I112 | F13-S105 VanDerWaalsContact CD1-O 3.27Å; F13-S105 WeakPolarHBondContact CD1-O 3.15Å; W101-S105 VanDerWaalsContact O-CB 3.27Å; W101-S105 WeakPolarHBondContact O-CB 3.46Å; W101-S105 PolarHBondContact O-N 3.31Å; W101-S105 PolarHBondContact O-OG 3.21Å; E103-S105 VanDerWaalsContact C-N 3.26Å; E103-S105 PolarHBondContact O-N 3.01Å; S105-G107 VanDerWaalsContact C-N 3.25Å; S105-D108 VanDerWaalsContact CA-O 3.27Å; S105-D108 WeakPolarHBondContact CA-O 3.25Å; S105-D108 CarbonylContact O-C 3.54Å; S105-D108 PolarHBondContact O-N 3.47Å; S105-S109 WeakPolarHBondContact O-CA 3.3Å; S105-S109 PolarHBondContact O-N 3.12Å; S105-Y111 WeakPolarHBondContact OG-CB 3.34Å; S105-I112 PolarHBondContact OG-N 2.99Å |
| 106 | K | 98.1 | Very high | 98 | Very high | 47 Ų | 47 | 23.1 Ų | 23.1 | 20% | 0.204 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -27.7 | 169 | -62.3 | 176.1 | -175.6 | 168.9 | 0 | 112 | P12 F13 E103 Y104 Y184 | P12-K106 HydrophobicContact CB-CG 4.45Å; P12-K106 HydrophobicContact CG-CG 4.16Å; F13-K106 HydrophobicContact CD1-CG 4.3Å; F13-K106 HydrophobicContact CE1-CG 3.96Å; E103-K106 WeakPolarHBondContact O-CB 3.37Å; E103-K106 PolarHBondContact O-N 3.05Å; E103-K106 WeakPolarHBondContact OE2-CE 3.2Å; E103-K106 IonicContact OE2-NZ 2.68Å; E103-K106 PolarHBondContact OE2-NZ 3.32Å; Y104-K106 PolarHBondContact O-N 2.78Å; Y104-K106 VanDerWaalsContact O-N 3.08Å; K106-Y184 HydrophobicContact CB-CD1 3.61Å; K106-Y184 HydrophobicContact CB-CD2 4.33Å; K106-Y184 HydrophobicContact CB-CE1 3.54Å; K106-Y184 HydrophobicContact CB-CE2 4.25Å; K106-Y184 HydrophobicContact CB-CG 4.04Å; K106-Y184 HydrophobicContact CD-CE1 3.79Å; K106-Y184 HydrophobicContact CD-CE2 4.31Å; K106-Y184 VanDerWaalsContact CD-OH 3.31Å; K106-Y184 WeakPolarHBondContact CD-OH 3.3Å; K106-Y184 HydrophobicContact CG-CE1 4.33Å |
| 107 | G | 97.8 | Very high | 98 | Very high | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.01 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -30.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y104 S105 S177 Y184 | Y104-G107 WeakPolarHBondContact O-CA 3.46Å; Y104-G107 PolarHBondContact O-N 3.03Å; S105-G107 VanDerWaalsContact C-N 3.25Å; G107-S177 WeakPolarHBondContact O-CB 3.29Å; G107-S177 PolarHBondContact O-OG 2.52Å; G107-Y184 VanDerWaalsContact CA-O 3.29Å; G107-Y184 WeakPolarHBondContact CA-O 3.46Å |
| 108 | D | 98.3 | Very high | 98.1 | Very high | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.005 | 11% | 0.109 | C | C | . | . | trans | -153.1 | 102.7 | 177.6 | -176.4 | -4.2 | 0 | 0 | 0 | 111.3 | Y104 S105 R110 Y111 Y165 F189 | Y104-D108 PolarHBondContact O-N 3.47Å; S105-D108 VanDerWaalsContact CA-O 3.27Å; S105-D108 WeakPolarHBondContact CA-O 3.25Å; S105-D108 CarbonylContact O-C 3.54Å; S105-D108 PolarHBondContact O-N 3.47Å; D108-R110 PolarHBondContact O-N 3.47Å; D108-R110 VanDerWaalsContact O-N 3.15Å; D108-R110 VanDerWaalsContact OD1-CB 3.24Å; D108-R110 WeakPolarHBondContact OD1-CB 3.3Å; D108-R110 VanDerWaalsContact OD1-CG 3.32Å; D108-R110 WeakPolarHBondContact OD1-CG 3.48Å; D108-R110 IonicContact OD1-CZ 2.76Å; D108-R110 PolarHBondContact OD1-N 3.05Å; D108-R110 VanDerWaalsContact OD1-N 3.1Å; D108-R110 IonicContact OD1-NE 3.21Å; D108-R110 PolarHBondContact OD1-NE 2.72Å; D108-R110 IonicContact OD1-NH2 2.97Å; D108-R110 IonicContact OD2-CZ 3.16Å; D108-R110 IonicContact OD2-NE 3.03Å; D108-R110 PolarHBondContact OD2-NE 2.97Å; D108-R110 VanDerWaalsContact OD2-NE 3.15Å; D108-R110 IonicContact OD2-NH2 2.73Å; D108-R110 PolarHBondContact OD2-NH2 3.41Å; D108-Y111 HydrophobicContact CB-CD2 4.21Å; D108-Y111 HydrophobicContact CB-CE2 4.42Å; D108-Y111 PolarHBondContact O-N 2.62Å; D108-Y165 WeakPolarHBondContact OD2-CE2 3.47Å; D108-Y165 PolarHBondContact OD2-OH 2.95Å; D108-F189 HydrophobicContact CB-CD2 4.22Å | ||
| 109 | S | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.114 | C | C | . | . | G | 310 helix | trans | -70 | -10.1 | -174.7 | 73.9 | 0 | 0 | 0 | 0 | 114 | W14 S105 Y111 I112 I113 H176 | W14-S109 WeakPolarHBondContact O-CB 3.24Å; W14-S109 PolarHBondContact O-OG 3.37Å; S105-S109 WeakPolarHBondContact O-CA 3.3Å; S105-S109 PolarHBondContact O-N 3.12Å; S109-Y111 PolarHBondContact O-N 3.16Å; S109-I112 VanDerWaalsContact O-CG2 3.23Å; S109-I112 WeakPolarHBondContact O-CG2 3.36Å; S109-I112 PolarHBondContact O-N 3.34Å; S109-I113 WeakPolarHBondContact O-CG1 3.22Å; S109-I113 PolarHBondContact O-N 2.9Å; S109-I113 VanDerWaalsContact O-N 3.1Å; S109-H176 PolarHBondContact N-O 3Å; S109-H176 WeakPolarHBondContact OG-CA 3.47Å; S109-H176 VanDerWaalsContact OG-CB 3.31Å; S109-H176 WeakPolarHBondContact OG-CB 3.38Å; S109-H176 PolarHBondContact OG-CD2 3.16Å; S109-H176 PolarHBondContact OG-O 3.3Å |
| 110 | R | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.14 | C | C | . | . | G | 310 helix | trans | -56.1 | -25.9 | 175 | -68.9 | -179.3 | -62 | 172.7 | 2.4 | 112.7 | D108 A114 D115 T118 Y165 T168 E169 H176 | D108-R110 PolarHBondContact O-N 3.47Å; D108-R110 VanDerWaalsContact O-N 3.15Å; D108-R110 VanDerWaalsContact OD1-CB 3.24Å; D108-R110 WeakPolarHBondContact OD1-CB 3.3Å; D108-R110 VanDerWaalsContact OD1-CG 3.32Å; D108-R110 WeakPolarHBondContact OD1-CG 3.48Å; D108-R110 IonicContact OD1-CZ 2.76Å; D108-R110 PolarHBondContact OD1-N 3.05Å; D108-R110 VanDerWaalsContact OD1-N 3.1Å; D108-R110 IonicContact OD1-NE 3.21Å; D108-R110 PolarHBondContact OD1-NE 2.72Å; D108-R110 IonicContact OD1-NH2 2.97Å; D108-R110 IonicContact OD2-CZ 3.16Å; D108-R110 IonicContact OD2-NE 3.03Å; D108-R110 PolarHBondContact OD2-NE 2.97Å; D108-R110 VanDerWaalsContact OD2-NE 3.15Å; D108-R110 IonicContact OD2-NH2 2.73Å; D108-R110 PolarHBondContact OD2-NH2 3.41Å; R110-A114 PolarHBondContact O-N 3.11Å; R110-D115 HydrophobicContact CB-CB 3.71Å; R110-D115 HydrophobicContact CG-CB 4.08Å; R110-D115 PolarHBondContact O-N 2.82Å; R110-T118 HydrophobicContact CB-CG2 3.72Å; R110-T118 PolarHBondContact O-OG1 3.37Å; R110-Y165 PolarHBondContact NH1-O 2.72Å; R110-Y165 PolarHBondContact NH2-O 2.99Å; R110-T168 PolarHBondContact NH1-OG1 3.39Å; R110-E169 VanDerWaalsContact CD-OE2 3.25Å; R110-E169 WeakPolarHBondContact CD-OE2 3.39Å; R110-E169 IonicContact CZ-OE2 3.15Å; R110-E169 IonicContact NE-OE2 3.63Å; R110-E169 PolarHBondContact NE-OE2 2.86Å; R110-E169 IonicContact NH1-OE2 2.79Å; R110-E169 PolarHBondContact NH1-OE2 3.43Å; R110-E169 IonicContact NH2-OE2 2.94Å; R110-H176 HydrophobicContact CG-CB 3.85Å; R110-H176 VanDerWaalsContact CG-CG 3.44Å |
| 111 | Y | 98.4 | Very high | 98.1 | Very high | 3 Ų | 3 | 26.7 Ų | 26.7 | 1% | 0.012 | 14% | 0.143 | C | C | . | . | G | 310 helix | trans | -75.2 | -35.1 | 174 | -70.7 | -91 | 0 | 0 | 0 | 113.1 | F83 W101 Y104 S105 D108 S109 T118 E122 Y165 | F83-Y111 HydrophobicContact CD1-CD1 4.23Å; F83-Y111 HydrophobicContact CD1-CE1 4.42Å; F83-Y111 HydrophobicContact CD2-CD1 4.21Å; F83-Y111 AromaticContact CE1-CD1 3.87Å; F83-Y111 HydrophobicContact CE1-CD1 3.87Å; F83-Y111 HydrophobicContact CE1-CE1 4.15Å; F83-Y111 AromaticContact CE2-CD1 3.87Å; F83-Y111 HydrophobicContact CE2-CD1 3.87Å; F83-Y111 WeakPolarHBondContact CE2-O 3.37Å; F83-Y111 HydrophobicContact CG-CD1 4.38Å; F83-Y111 AromaticContact CZ-CD1 3.69Å; F83-Y111 HydrophobicContact CZ-CD1 3.69Å; F83-Y111 HydrophobicContact CZ-CE1 4.4Å; F83-Y111 HydrophobicContact CZ-CG 4.48Å; W101-Y111 AromaticContact CE3-CD1 3.56Å; W101-Y111 HydrophobicContact CE3-CD1 3.56Å; W101-Y111 HydrophobicContact CE3-CE1 4.09Å; W101-Y111 HydrophobicContact CE3-CG 4.02Å; W101-Y111 AromaticContact CH2-CD1 3.9Å; W101-Y111 HydrophobicContact CH2-CD1 3.9Å; W101-Y111 AromaticContact CH2-CE1 3.57Å; W101-Y111 HydrophobicContact CH2-CE1 3.57Å; W101-Y111 AromaticContact CZ3-CD1 3.14Å; W101-Y111 HydrophobicContact CZ3-CD1 3.14Å; W101-Y111 HydrophobicContact CZ3-CD2 4.47Å; W101-Y111 AromaticContact CZ3-CE1 3.17Å; W101-Y111 HydrophobicContact CZ3-CE1 3.17Å; W101-Y111 AromaticContact CZ3-CG 3.83Å; W101-Y111 HydrophobicContact CZ3-CG 3.83Å; W101-Y111 AromaticContact CZ3-CZ 3.91Å; Y104-Y111 AromaticContact CD1-CD2 4Å; Y104-Y111 HydrophobicContact CD1-CD2 4Å; Y104-Y111 HydrophobicContact CD1-CE2 4.11Å; Y104-Y111 HydrophobicContact CD1-CG 4.33Å; Y104-Y111 AromaticContact CE1-CD2 3.8Å; Y104-Y111 HydrophobicContact CE1-CD2 3.8Å; Y104-Y111 HydrophobicContact CE1-CE1 4.48Å; Y104-Y111 AromaticContact CE1-CE2 3.45Å; Y104-Y111 HydrophobicContact CE1-CE2 3.45Å; Y104-Y111 VanDerWaalsContact CE1-CE2 3.45Å; Y104-Y111 HydrophobicContact CE1-CG 4.45Å; Y104-Y111 AromaticContact CE1-CZ 3.81Å; S105-Y111 WeakPolarHBondContact OG-CB 3.34Å; D108-Y111 HydrophobicContact CB-CD2 4.21Å; D108-Y111 HydrophobicContact CB-CE2 4.42Å; D108-Y111 PolarHBondContact O-N 2.62Å; S109-Y111 PolarHBondContact O-N 3.16Å; Y111-T118 HydrophobicContact CE2-CG2 4.2Å; Y111-E122 HydrophobicContact CE1-CG 3.83Å; Y111-E122 WeakPolarHBondContact CE1-OE1 3.09Å; Y111-E122 PolarHBondContact OH-OE1 3.48Å; Y111-Y165 AromaticContact CE2-CE2 3.85Å; Y111-Y165 HydrophobicContact CE2-CE2 3.85Å |
| 112 | I | 97.8 | Very high | 98.1 | Very high | 5 Ų | 5 | 26.6 Ų | 26.6 | 3% | 0.026 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -26.1 | 179.3 | -158 | 62.7 | 0 | 0 | 0 | 112.8 | F13 I20 L90 P91 K102 S105 S109 | F13-I112 HydrophobicContact CB-CG2 4.27Å; F13-I112 HydrophobicContact CD1-CG2 4.2Å; F13-I112 HydrophobicContact CD2-CB 4.45Å; F13-I112 HydrophobicContact CD2-CG1 4.18Å; F13-I112 HydrophobicContact CD2-CG2 3.76Å; F13-I112 HydrophobicContact CE2-CB 4.3Å; F13-I112 HydrophobicContact CE2-CD1 4.41Å; F13-I112 HydrophobicContact CE2-CG1 3.69Å; F13-I112 HydrophobicContact CE2-CG2 4.11Å; F13-I112 HydrophobicContact CG-CG2 3.79Å; F13-I112 HydrophobicContact CZ-CB 4.36Å; F13-I112 HydrophobicContact CZ-CD1 4.31Å; F13-I112 HydrophobicContact CZ-CG1 3.94Å; F13-I112 HydrophobicContact CZ-CG2 4.47Å; I20-I112 HydrophobicContact CD1-CG1 4.28Å; I20-I112 HydrophobicContact CD1-CG2 3.82Å; L90-I112 HydrophobicContact CD2-CD1 3.83Å; L90-I112 HydrophobicContact CG-CD1 4.03Å; P91-I112 HydrophobicContact CB-CD1 4.07Å; P91-I112 HydrophobicContact CB-CG1 4.37Å; P91-I112 HydrophobicContact CG-CD1 3.9Å; P91-I112 HydrophobicContact CG-CG1 4.14Å; K102-I112 HydrophobicContact CG-CD1 3.71Å; S105-I112 PolarHBondContact OG-N 2.99Å; S109-I112 VanDerWaalsContact O-CG2 3.23Å; S109-I112 WeakPolarHBondContact O-CG2 3.36Å; S109-I112 PolarHBondContact O-N 3.34Å |
| 113 | I | 96.3 | Very high | 98 | Very high | 67 Ų | 67 | 29.5 Ų | 29.5 | 34% | 0.344 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | 2.8 | 176.1 | 69.1 | 177.3 | 0 | 0 | 0 | 113.2 | L18 S109 D115 | L18-I113 HydrophobicContact CD1-CG2 3.93Å; L18-I113 HydrophobicContact CD2-CG2 4.1Å; S109-I113 WeakPolarHBondContact O-CG1 3.22Å; S109-I113 PolarHBondContact O-N 2.9Å; S109-I113 VanDerWaalsContact O-N 3.1Å; I113-D115 PolarHBondContact O-N 3.42Å |
| 114 | A | 96.8 | Very high | 98 | Very high | 26 Ų | 26 | 32.3 Ų | 32.3 | 22% | 0.215 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | 53.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y87 R110 V119 | Y87-A114 HydrophobicContact CD2-CB 3.41Å; Y87-A114 VanDerWaalsContact CD2-CB 3.41Å; Y87-A114 HydrophobicContact CE2-CB 4.06Å; Y87-A114 HydrophobicContact CG-CB 4.21Å; R110-A114 PolarHBondContact O-N 3.11Å; A114-V119 HydrophobicContact CB-CG2 3.98Å |
| 115 | D | 97.7 | Very high | 98 | Very high | 44 Ų | 44 | 31 Ų | 31 | 24% | 0.235 | 17% | 0.174 | C | C | . | . | trans | -53.5 | 141.2 | 175.4 | 172.5 | 62 | 0 | 0 | 0 | 111.4 | R110 I113 F117 T118 V119 | R110-D115 HydrophobicContact CB-CB 3.71Å; R110-D115 HydrophobicContact CG-CB 4.08Å; R110-D115 PolarHBondContact O-N 2.82Å; I113-D115 PolarHBondContact O-N 3.42Å; D115-F117 VanDerWaalsContact C-N 3.28Å; D115-F117 PolarHBondContact O-N 3.1Å; D115-F117 WeakPolarHBondContact OD2-CB 3.24Å; D115-F117 PolarHBondContact OD2-N 3.32Å; D115-T118 HydrophobicContact CB-CG2 4.39Å; D115-T118 PolarHBondContact O-N 3.38Å; D115-T118 PolarHBondContact O-OG1 3.13Å; D115-T118 PolarHBondContact OD2-N 3.02Å; D115-V119 WeakPolarHBondContact O-CG2 3.36Å; D115-V119 PolarHBondContact O-N 2.99Å | ||
| 116 | N | 97.6 | Very high | 98 | Very high | 135 Ų | 135 | 31.7 Ų | 31.7 | 72% | 0.722 | 18% | 0.18 | S | C | * | . | H | α-helix | trans | -58.7 | -41.4 | -174.7 | -76.1 | -51.4 | 0 | 0 | 0 | 112 | C120 | N116-C120 VanDerWaalsContact O-CB 3.28Å; N116-C120 WeakPolarHBondContact O-CB 3.49Å; N116-C120 PolarHBondContact O-N 2.9Å; N116-C120 PolarHBondContact O-SG 2.93Å; N116-C120 VanDerWaalsContact O-SG 3.33Å |
| 117 | F | 98 | Very high | 98 | Very high | 49 Ų | 49 | 32.1 Ų | 32.1 | 22% | 0.215 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -69.6 | -46.3 | -178.2 | 171.9 | -95.1 | 0 | 0 | 0 | 110.9 | D115 C120 M121 L164 T168 | D115-F117 VanDerWaalsContact C-N 3.28Å; D115-F117 PolarHBondContact O-N 3.1Å; D115-F117 WeakPolarHBondContact OD2-CB 3.24Å; D115-F117 PolarHBondContact OD2-N 3.32Å; F117-C120 PolarHBondContact O-N 3.26Å; F117-M121 HydrophobicContact CE1-CB 4.19Å; F117-M121 HydrophobicContact CE1-CG 4.45Å; F117-M121 HydrophobicContact CE1-SD 3.68Å; F117-M121 HydrophobicContact CE2-CB 4.35Å; F117-M121 HydrophobicContact CZ-CB 3.99Å; F117-M121 HydrophobicContact CZ-CG 4.12Å; F117-M121 HydrophobicContact CZ-SD 3.67Å; F117-M121 VanDerWaalsContact O-CB 3.22Å; F117-M121 WeakPolarHBondContact O-CB 3.43Å; F117-M121 PolarHBondContact O-N 2.86Å; F117-L164 HydrophobicContact CE1-CB 4.42Å; F117-L164 HydrophobicContact CE2-CB 3.77Å; F117-L164 HydrophobicContact CE2-CD1 3.98Å; F117-L164 HydrophobicContact CZ-CB 3.42Å; F117-L164 VanDerWaalsContact CZ-CB 3.42Å; F117-L164 HydrophobicContact CZ-CD1 4.35Å; F117-T168 HydrophobicContact CD1-CG2 4.05Å; F117-T168 HydrophobicContact CD2-CG2 4.23Å; F117-T168 HydrophobicContact CE1-CG2 4.4Å; F117-T168 HydrophobicContact CG-CG2 3.98Å |
| 118 | T | 98.1 | Very high | 98 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62 | -47 | 179.6 | 60.1 | 0 | 0 | 0 | 0 | 110.8 | R110 Y111 D115 C120 M121 E122 | R110-T118 HydrophobicContact CB-CG2 3.72Å; R110-T118 PolarHBondContact O-OG1 3.37Å; Y111-T118 HydrophobicContact CE2-CG2 4.2Å; D115-T118 HydrophobicContact CB-CG2 4.39Å; D115-T118 PolarHBondContact O-N 3.38Å; D115-T118 PolarHBondContact O-OG1 3.13Å; D115-T118 PolarHBondContact OD2-N 3.02Å; T118-C120 PolarHBondContact O-N 3.08Å; T118-M121 PolarHBondContact O-N 3.39Å; T118-E122 VanDerWaalsContact O-CB 3.3Å; T118-E122 WeakPolarHBondContact O-CB 3.16Å; T118-E122 WeakPolarHBondContact O-CG 3.17Å; T118-E122 PolarHBondContact O-N 2.86Å |
| 119 | V | 98.5 | Very high | 98 | Very high | 18 Ų | 18 | 38.8 Ų | 38.8 | 11% | 0.109 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.9 | -48.1 | 177.2 | 175.2 | 0 | 0 | 0 | 0 | 111.7 | F83 Y87 A114 D115 T123 | F83-V119 HydrophobicContact CE1-CG2 4.12Å; F83-V119 HydrophobicContact CZ-CG2 3.83Å; Y87-V119 HydrophobicContact CD1-CG1 4.04Å; Y87-V119 HydrophobicContact CD1-CG2 4.3Å; Y87-V119 HydrophobicContact CD2-CG2 4.23Å; Y87-V119 HydrophobicContact CE1-CG1 3.73Å; Y87-V119 HydrophobicContact CE2-CG2 4.49Å; Y87-V119 HydrophobicContact CG-CG2 4.14Å; A114-V119 HydrophobicContact CB-CG2 3.98Å; D115-V119 WeakPolarHBondContact O-CG2 3.36Å; D115-V119 PolarHBondContact O-N 2.99Å; V119-T123 WeakPolarHBondContact O-CB 3.28Å; V119-T123 PolarHBondContact O-N 3.33Å; V119-T123 PolarHBondContact O-OG1 2.9Å |
| 120 | C | 98.6 | Very high | 98 | Very high | 82 Ų | 82 | 38.8 Ų | 38.8 | 55% | 0.554 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -62.8 | -46.7 | 178.6 | -78.9 | 0 | 0 | 0 | 0 | 112.7 | N116 F117 T118 T123 V124 | N116-C120 VanDerWaalsContact O-CB 3.28Å; N116-C120 WeakPolarHBondContact O-CB 3.49Å; N116-C120 PolarHBondContact O-N 2.9Å; N116-C120 PolarHBondContact O-SG 2.93Å; N116-C120 VanDerWaalsContact O-SG 3.33Å; F117-C120 PolarHBondContact O-N 3.26Å; T118-C120 PolarHBondContact O-N 3.08Å; C120-T123 PolarHBondContact O-N 3.41Å; C120-V124 WeakPolarHBondContact O-CG2 3.44Å; C120-V124 PolarHBondContact O-N 3.2Å |
| 121 | M | 98.6 | Very high | 98 | Very high | 26 Ų | 26 | 41.6 Ų | 41.6 | 13% | 0.128 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.8 | -49.7 | -178.7 | -179.1 | -166.4 | 71 | 0 | 0 | 110.7 | F117 T118 T123 V124 T125 Y165 | F117-M121 HydrophobicContact CE1-CB 4.19Å; F117-M121 HydrophobicContact CE1-CG 4.45Å; F117-M121 HydrophobicContact CE1-SD 3.68Å; F117-M121 HydrophobicContact CE2-CB 4.35Å; F117-M121 HydrophobicContact CZ-CB 3.99Å; F117-M121 HydrophobicContact CZ-CG 4.12Å; F117-M121 HydrophobicContact CZ-SD 3.67Å; F117-M121 VanDerWaalsContact O-CB 3.22Å; F117-M121 WeakPolarHBondContact O-CB 3.43Å; F117-M121 PolarHBondContact O-N 2.86Å; T118-M121 PolarHBondContact O-N 3.39Å; M121-T123 VanDerWaalsContact C-N 3.26Å; M121-T123 PolarHBondContact O-N 2.78Å; M121-V124 WeakPolarHBondContact O-CB 3.41Å; M121-V124 PolarHBondContact O-N 3.4Å; M121-V124 VanDerWaalsContact O-N 3.13Å; M121-T125 HydrophobicContact CG-CG2 4.48Å; M121-T125 VanDerWaalsContact O-CG2 3.3Å; M121-T125 WeakPolarHBondContact O-CG2 3.29Å; M121-T125 PolarHBondContact O-N 3.38Å; M121-Y165 HydrophobicContact CE-CD2 4.23Å |
| 122 | E | 98.4 | Very high | 98 | Very high | 9 Ų | 9 | 44.5 Ų | 44.5 | 4% | 0.042 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.4 | -31.8 | -179.4 | -62.6 | -65.9 | 175.9 | 0 | 0 | 111.6 | E80 F83 C84 Y111 T118 V124 T125 A126 | E80-E122 WeakPolarHBondContact CB-OE2 3.46Å; E80-E122 WeakPolarHBondContact CG-OE2 3.32Å; F83-E122 HydrophobicContact CD1-CB 3.71Å; F83-E122 HydrophobicContact CD1-CG 3.81Å; F83-E122 HydrophobicContact CE1-CB 3.96Å; F83-E122 HydrophobicContact CE1-CG 3.84Å; C84-E122 PolarHBondContact SG-O 2.98Å; Y111-E122 HydrophobicContact CE1-CG 3.83Å; Y111-E122 WeakPolarHBondContact CE1-OE1 3.09Å; Y111-E122 PolarHBondContact OH-OE1 3.48Å; T118-E122 VanDerWaalsContact O-CB 3.3Å; T118-E122 WeakPolarHBondContact O-CB 3.16Å; T118-E122 WeakPolarHBondContact O-CG 3.17Å; T118-E122 PolarHBondContact O-N 2.86Å; E122-V124 VanDerWaalsContact C-N 3.32Å; E122-V124 PolarHBondContact O-N 3.44Å; E122-T125 VanDerWaalsContact CA-OG1 3.22Å; E122-T125 WeakPolarHBondContact CA-OG1 3.43Å; E122-T125 PolarHBondContact O-N 2.94Å; E122-T125 PolarHBondContact O-OG1 3.11Å; E122-T125 PolarHBondContact OE2-OG1 3.26Å; E122-A126 VanDerWaalsContact O-CB 3.22Å; E122-A126 WeakPolarHBondContact O-CB 3.31Å; E122-A126 PolarHBondContact O-N 3.31Å |
| 123 | T | 98.4 | Very high | 98 | Very high | 63 Ų | 63 | 44.2 Ų | 44.2 | 39% | 0.387 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -64.3 | -41.2 | 174.7 | -62.1 | 0 | 0 | 0 | 0 | 110.9 | C84 V119 C120 M121 A127 | C84-T123 WeakPolarHBondContact SG-CA 3.26Å; C84-T123 PolarHBondContact SG-N 3.33Å; V119-T123 WeakPolarHBondContact O-CB 3.28Å; V119-T123 PolarHBondContact O-N 3.33Å; V119-T123 PolarHBondContact O-OG1 2.9Å; C120-T123 PolarHBondContact O-N 3.41Å; M121-T123 VanDerWaalsContact C-N 3.26Å; M121-T123 PolarHBondContact O-N 2.78Å; T123-A127 WeakPolarHBondContact O-CB 3.47Å; T123-A127 PolarHBondContact O-N 3.27Å |
| 124 | V | 98.3 | Very high | 98.1 | Very high | 63 Ų | 63 | 44.8 Ų | 44.8 | 38% | 0.382 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -66.7 | -42.9 | 176 | 172.5 | 0 | 0 | 0 | 0 | 110.7 | C120 M121 E122 F128 W129 | C120-V124 WeakPolarHBondContact O-CG2 3.44Å; C120-V124 PolarHBondContact O-N 3.2Å; M121-V124 WeakPolarHBondContact O-CB 3.41Å; M121-V124 PolarHBondContact O-N 3.4Å; M121-V124 VanDerWaalsContact O-N 3.13Å; E122-V124 VanDerWaalsContact C-N 3.32Å; E122-V124 PolarHBondContact O-N 3.44Å; V124-F128 HydrophobicContact CG1-CD2 4.04Å; V124-F128 WeakPolarHBondContact O-CB 3.4Å; V124-F128 WeakPolarHBondContact O-CD2 3.41Å; V124-F128 PolarHBondContact O-N 3.4Å; V124-W129 HydrophobicContact CG1-CZ2 4.2Å |
| 125 | T | 97.8 | Very high | 98.2 | Very high | 12 Ų | 12 | 49.1 Ų | 49.1 | 7% | 0.074 | 26% | 0.261 | C | S | . | . | I | π-helix | trans | -65.3 | -43.9 | 179.8 | 61.8 | 0 | 0 | 0 | 0 | 111.5 | E80 M121 E122 W129 G130 | E80-T125 WeakPolarHBondContact OE2-CB 3.37Å; E80-T125 PolarHBondContact OE2-OG1 3.19Å; M121-T125 HydrophobicContact CG-CG2 4.48Å; M121-T125 VanDerWaalsContact O-CG2 3.3Å; M121-T125 WeakPolarHBondContact O-CG2 3.29Å; M121-T125 PolarHBondContact O-N 3.38Å; E122-T125 VanDerWaalsContact CA-OG1 3.22Å; E122-T125 WeakPolarHBondContact CA-OG1 3.43Å; E122-T125 PolarHBondContact O-N 2.94Å; E122-T125 PolarHBondContact O-OG1 3.11Å; E122-T125 PolarHBondContact OE2-OG1 3.26Å; T125-W129 CarbonylContact O-C 3.51Å; T125-W129 WeakPolarHBondContact O-CA 3.28Å; T125-W129 WeakPolarHBondContact O-CB 3.33Å; T125-W129 PolarHBondContact O-N 3.12Å; T125-G130 PolarHBondContact O-N 2.96Å |
| 126 | A | 98.2 | Very high | 98.2 | Very high | 15 Ų | 15 | 47 Ų | 47 | 12% | 0.124 | 25% | 0.25 | C | C | . | . | I | π-helix | trans | -65 | -45 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | H76 E80 E122 P131 | H76-A126 WeakPolarHBondContact O-CA 3.29Å; H76-A126 WeakPolarHBondContact O-CB 3.4Å; E80-A126 HydrophobicContact CB-CB 4.44Å; E122-A126 VanDerWaalsContact O-CB 3.22Å; E122-A126 WeakPolarHBondContact O-CB 3.31Å; E122-A126 PolarHBondContact O-N 3.31Å; A126-P131 VanDerWaalsContact O-CD 3.23Å; A126-P131 WeakPolarHBondContact O-CD 3.09Å |
| 127 | A | 97.9 | Very high | 98.2 | Very high | 55 Ų | 55 | 41.5 Ų | 41.5 | 46% | 0.455 | 22% | 0.221 | S | C | . | . | I | π-helix | trans | -74.1 | -33.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | T123 | T123-A127 WeakPolarHBondContact O-CB 3.47Å; T123-A127 PolarHBondContact O-N 3.27Å |
| 128 | F | 98.1 | Very high | 98.2 | Very high | 102 Ų | 102 | 44.6 Ų | 44.6 | 45% | 0.447 | 23% | 0.232 | S | C | . | . | I | π-helix | trans | -114.8 | -57 | -174.4 | -61.8 | -78.1 | 0 | 0 | 0 | 112.8 | V124 G130 F132 | V124-F128 HydrophobicContact CG1-CD2 4.04Å; V124-F128 WeakPolarHBondContact O-CB 3.4Å; V124-F128 WeakPolarHBondContact O-CD2 3.41Å; V124-F128 PolarHBondContact O-N 3.4Å; F128-G130 PolarHBondContact O-N 3.05Å; F128-F132 HydrophobicContact CD1-CZ 4.44Å; F128-F132 WeakPolarHBondContact O-CB 3.39Å; F128-F132 VanDerWaalsContact O-CG 3.24Å; F128-F132 WeakPolarHBondContact O-CG 3.25Å; F128-F132 PolarHBondContact O-N 2.99Å |
| 129 | W | 97.9 | Very high | 98.2 | Very high | 41 Ų | 41 | 44.6 Ų | 44.6 | 16% | 0.155 | 23% | 0.232 | C | C | . | . | I | π-helix | trans | -67.9 | -34.4 | -172.1 | -50.2 | 150.8 | 0 | 0 | 0 | 113 | V124 T125 F132 S133 I153 I154 | V124-W129 HydrophobicContact CG1-CZ2 4.2Å; T125-W129 CarbonylContact O-C 3.51Å; T125-W129 WeakPolarHBondContact O-CA 3.28Å; T125-W129 WeakPolarHBondContact O-CB 3.33Å; T125-W129 PolarHBondContact O-N 3.12Å; W129-F132 HydrophobicContact CZ3-CD2 4.44Å; W129-S133 WeakPolarHBondContact O-CB 3.18Å; W129-S133 PolarHBondContact O-N 2.89Å; W129-S133 PolarHBondContact O-OG 3.06Å; W129-I153 HydrophobicContact CH2-CG2 4.5Å; W129-I153 HydrophobicContact CZ3-CG2 4.08Å; W129-I154 HydrophobicContact CB-CG2 4.32Å; W129-I154 HydrophobicContact CE3-CG1 4.31Å; W129-I154 HydrophobicContact CE3-CG2 4.49Å |
| 130 | G | 97.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.2 | -63.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113 | H76 S77 T125 F128 F132 S133 F134 | H76-G130 VanDerWaalsContact CB-CA 3.49Å; S77-G130 VanDerWaalsContact OG-CA 3.29Å; S77-G130 WeakPolarHBondContact OG-CA 3.49Å; T125-G130 PolarHBondContact O-N 2.96Å; F128-G130 PolarHBondContact O-N 3.05Å; G130-F132 VanDerWaalsContact C-N 3.31Å; G130-F132 PolarHBondContact O-N 3.16Å; G130-S133 WeakPolarHBondContact O-CB 3.49Å; G130-S133 PolarHBondContact O-N 3.03Å; G130-S133 VanDerWaalsContact O-N 3.11Å; G130-F134 PolarHBondContact O-N 2.79Å |
| 131 | P | 98 | Very high | 98 | Very high | 59 Ų | 59 | 42.4 Ų | 42.4 | 38% | 0.383 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -56.8 | -41.6 | 177.6 | -28.3 | 36.7 | 0 | 0 | 0 | 113.3 | A126 S133 F134 W135 | A126-P131 VanDerWaalsContact O-CD 3.23Å; A126-P131 WeakPolarHBondContact O-CD 3.09Å; P131-S133 VanDerWaalsContact C-N 3.31Å; P131-S133 PolarHBondContact O-N 3.3Å; P131-F134 PolarHBondContact O-N 3.32Å; P131-W135 PolarHBondContact O-N 2.84Å |
| 132 | F | 98.4 | Very high | 97.8 | Very high | 63 Ų | 63 | 43 Ų | 43 | 28% | 0.276 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -71 | -27.4 | 180 | -71.8 | 4.5 | 0 | 0 | 0 | 112.5 | F128 W129 G130 W135 T136 I154 | F128-F132 HydrophobicContact CD1-CZ 4.44Å; F128-F132 WeakPolarHBondContact O-CB 3.39Å; F128-F132 VanDerWaalsContact O-CG 3.24Å; F128-F132 WeakPolarHBondContact O-CG 3.25Å; F128-F132 PolarHBondContact O-N 2.99Å; W129-F132 HydrophobicContact CZ3-CD2 4.44Å; G130-F132 VanDerWaalsContact C-N 3.31Å; G130-F132 PolarHBondContact O-N 3.16Å; F132-W135 AromaticContact CD1-CE3 3.98Å; F132-W135 HydrophobicContact CD1-CE3 3.98Å; F132-W135 HydrophobicContact CD1-CZ3 4.5Å; F132-W135 HydrophobicContact CE1-CE3 4.09Å; F132-W135 HydrophobicContact CE1-CZ3 4.16Å; F132-W135 PolarHBondContact O-N 3.18Å; F132-T136 WeakPolarHBondContact O-CB 3.42Å; F132-T136 PolarHBondContact O-N 3.43Å; F132-T136 PolarHBondContact O-OG1 3.49Å; F132-I154 VanDerWaalsContact C-CD1 3.45Å; F132-I154 HydrophobicContact CB-CD1 3.66Å; F132-I154 HydrophobicContact CB-CG1 3.83Å; F132-I154 VanDerWaalsContact O-CD1 3.26Å; F132-I154 WeakPolarHBondContact O-CD1 3.33Å |
| 133 | S | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.5 | -43.8 | 173.2 | -66.9 | 0 | 0 | 0 | 0 | 111.2 | F69 W129 G130 P131 W135 T136 V137 | F69-S133 VanDerWaalsContact O-CB 3.3Å; F69-S133 WeakPolarHBondContact O-CB 3.34Å; W129-S133 WeakPolarHBondContact O-CB 3.18Å; W129-S133 PolarHBondContact O-N 2.89Å; W129-S133 PolarHBondContact O-OG 3.06Å; G130-S133 WeakPolarHBondContact O-CB 3.49Å; G130-S133 PolarHBondContact O-N 3.03Å; G130-S133 VanDerWaalsContact O-N 3.11Å; P131-S133 VanDerWaalsContact C-N 3.31Å; P131-S133 PolarHBondContact O-N 3.3Å; S133-W135 VanDerWaalsContact C-N 3.35Å; S133-W135 PolarHBondContact O-N 3.17Å; S133-T136 WeakPolarHBondContact O-CB 3.47Å; S133-T136 PolarHBondContact O-N 3.25Å; S133-T136 VanDerWaalsContact O-N 3.16Å; S133-V137 WeakPolarHBondContact O-CG2 3.5Å; S133-V137 PolarHBondContact O-N 2.9Å |
| 134 | F | 98.3 | Very high | 97.6 | Very high | 79 Ų | 79 | 46.6 Ų | 46.6 | 35% | 0.346 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.6 | -40.1 | 172.2 | -68.8 | -55.3 | 0 | 0 | 0 | 112.4 | F44 G73 G130 P131 T136 V137 Y138 | F44-F134 HydrophobicContact CD1-CE1 4.42Å; F44-F134 AromaticContact CE1-CE1 3.9Å; F44-F134 HydrophobicContact CE1-CE1 3.9Å; F44-F134 HydrophobicContact CE1-CZ 4.15Å; G73-F134 VanDerWaalsContact C-CE2 3.42Å; G73-F134 WeakPolarHBondContact O-CE2 3.43Å; G130-F134 PolarHBondContact O-N 2.79Å; P131-F134 PolarHBondContact O-N 3.32Å; F134-T136 VanDerWaalsContact C-N 3.27Å; F134-T136 PolarHBondContact O-N 2.97Å; F134-V137 WeakPolarHBondContact O-CB 3.31Å; F134-V137 PolarHBondContact O-N 3.44Å; F134-Y138 PolarHBondContact O-N 2.97Å |
| 135 | W | 98.4 | Very high | 97.5 | Very high | 117 Ų | 117 | 49 Ų | 49 | 44% | 0.443 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61.4 | -38.5 | 173.4 | -169.1 | 1.8 | 0 | 0 | 0 | 111.5 | P131 F132 S133 Y138 S139 Y146 L150 | P131-W135 PolarHBondContact O-N 2.84Å; F132-W135 AromaticContact CD1-CE3 3.98Å; F132-W135 HydrophobicContact CD1-CE3 3.98Å; F132-W135 HydrophobicContact CD1-CZ3 4.5Å; F132-W135 HydrophobicContact CE1-CE3 4.09Å; F132-W135 HydrophobicContact CE1-CZ3 4.16Å; F132-W135 PolarHBondContact O-N 3.18Å; S133-W135 VanDerWaalsContact C-N 3.35Å; S133-W135 PolarHBondContact O-N 3.17Å; W135-Y138 PolarHBondContact O-N 3.41Å; W135-S139 VanDerWaalsContact O-CB 3.3Å; W135-S139 WeakPolarHBondContact O-CB 3.46Å; W135-S139 PolarHBondContact O-N 2.93Å; W135-Y146 AromaticContact CE2-CE2 3.98Å; W135-Y146 HydrophobicContact CZ2-CE2 4.35Å; W135-Y146 AromaticContact NE1-CE2 3.39Å; W135-Y146 AromaticContact NE1-CZ 3.5Å; W135-Y146 PolarHBondContact NE1-OH 3.42Å; W135-L150 HydrophobicContact CB-CD1 4.36Å; W135-L150 HydrophobicContact CD2-CD1 4.03Å; W135-L150 HydrophobicContact CG-CD1 3.86Å |
| 136 | T | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.4 | -47.6 | 175.6 | -61.9 | 0 | 0 | 0 | 0 | 110.9 | F69 F132 S133 F134 Y138 S139 F140 L150 I154 | F69-T136 HydrophobicContact CD1-CG2 4.14Å; F69-T136 HydrophobicContact CD2-CG2 3.66Å; F69-T136 HydrophobicContact CE1-CG2 4.29Å; F69-T136 HydrophobicContact CE2-CG2 3.83Å; F69-T136 HydrophobicContact CG-CG2 3.84Å; F69-T136 HydrophobicContact CZ-CG2 4.15Å; F132-T136 WeakPolarHBondContact O-CB 3.42Å; F132-T136 PolarHBondContact O-N 3.43Å; F132-T136 PolarHBondContact O-OG1 3.49Å; S133-T136 WeakPolarHBondContact O-CB 3.47Å; S133-T136 PolarHBondContact O-N 3.25Å; S133-T136 VanDerWaalsContact O-N 3.16Å; F134-T136 VanDerWaalsContact C-N 3.27Å; F134-T136 PolarHBondContact O-N 2.97Å; T136-Y138 PolarHBondContact O-N 2.96Å; T136-S139 WeakPolarHBondContact CA-OG 3.32Å; T136-S139 PolarHBondContact O-N 2.91Å; T136-S139 VanDerWaalsContact O-N 3.11Å; T136-S139 PolarHBondContact O-OG 3.47Å; T136-F140 HydrophobicContact CG2-CD2 3.73Å; T136-F140 HydrophobicContact CG2-CE2 3.65Å; T136-F140 WeakPolarHBondContact O-CD2 3.24Å; T136-F140 PolarHBondContact O-N 3.44Å; T136-L150 WeakPolarHBondContact OG1-CB 3.16Å; T136-I154 WeakPolarHBondContact OG1-CD1 3.23Å |
| 137 | V | 98 | Very high | 97.5 | Very high | 19 Ų | 19 | 54.6 Ų | 54.6 | 12% | 0.115 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -53.8 | -52.7 | 174.3 | 172.9 | 0 | 0 | 0 | 0 | 111.1 | T48 V66 F69 A70 S133 F134 S139 F140 I141 | T48-V137 HydrophobicContact CG2-CG1 4.44Å; V66-V137 HydrophobicContact CG1-CB 4.24Å; V66-V137 HydrophobicContact CG1-CG1 3.85Å; V66-V137 HydrophobicContact CG1-CG2 4.1Å; F69-V137 HydrophobicContact CB-CG2 3.82Å; A70-V137 HydrophobicContact CB-CG2 4.06Å; S133-V137 WeakPolarHBondContact O-CG2 3.5Å; S133-V137 PolarHBondContact O-N 2.9Å; F134-V137 WeakPolarHBondContact O-CB 3.31Å; F134-V137 PolarHBondContact O-N 3.44Å; V137-S139 VanDerWaalsContact C-N 3.3Å; V137-S139 PolarHBondContact O-N 3.29Å; V137-F140 PolarHBondContact O-N 3.37Å; V137-I141 HydrophobicContact CG1-CD1 3.77Å; V137-I141 WeakPolarHBondContact O-CG1 3.1Å; V137-I141 PolarHBondContact O-N 3.14Å; V137-I141 VanDerWaalsContact O-N 3.1Å |
| 138 | Y | 97.3 | Very high | 97.6 | Very high | 113 Ų | 113 | 52.9 Ų | 52.9 | 44% | 0.443 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -56.4 | -44 | 176.7 | 166.1 | -96.4 | 0 | 0 | 0 | 112.3 | F134 W135 T136 F140 I141 S142 K144 | F134-Y138 PolarHBondContact O-N 2.97Å; W135-Y138 PolarHBondContact O-N 3.41Å; T136-Y138 PolarHBondContact O-N 2.96Å; Y138-F140 VanDerWaalsContact C-N 3.32Å; Y138-F140 PolarHBondContact O-N 2.96Å; Y138-I141 PolarHBondContact O-N 3.29Å; Y138-S142 WeakPolarHBondContact CE2-OG 3.35Å; Y138-S142 VanDerWaalsContact O-CB 3.24Å; Y138-S142 WeakPolarHBondContact O-CB 3.49Å; Y138-S142 PolarHBondContact O-N 2.64Å; Y138-S142 PolarHBondContact O-OG 3.41Å; Y138-S142 VanDerWaalsContact O-OG 3.08Å; Y138-K144 HydrophobicContact CE1-CG 4.36Å; Y138-K144 WeakPolarHBondContact OH-CE 3.04Å |
| 139 | S | 97.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.8 | -34.8 | -176.2 | 79.8 | 0 | 0 | 0 | 0 | 112.5 | W135 T136 V137 T143 K144 R147 | W135-S139 VanDerWaalsContact O-CB 3.3Å; W135-S139 WeakPolarHBondContact O-CB 3.46Å; W135-S139 PolarHBondContact O-N 2.93Å; T136-S139 WeakPolarHBondContact CA-OG 3.32Å; T136-S139 PolarHBondContact O-N 2.91Å; T136-S139 VanDerWaalsContact O-N 3.11Å; T136-S139 PolarHBondContact O-OG 3.47Å; V137-S139 VanDerWaalsContact C-N 3.3Å; V137-S139 PolarHBondContact O-N 3.29Å; S139-T143 PolarHBondContact O-N 2.91Å; S139-T143 VanDerWaalsContact O-N 3.07Å; S139-K144 PolarHBondContact O-N 3.41Å; S139-R147 WeakPolarHBondContact OG-CA 3.5Å; S139-R147 WeakPolarHBondContact OG-CB 3.38Å |
| 140 | F | 97.4 | Very high | 97.6 | Very high | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.009 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -72.3 | -46.1 | 175.2 | -87.6 | -74.2 | 0 | 0 | 0 | 111.9 | R62 V66 T136 V137 Y138 S142 T143 R147 F148 Q151 | R62-F140 VanDerWaalsContact CD-CE1 3.45Å; R62-F140 HydrophobicContact CG-CD1 4.3Å; V66-F140 HydrophobicContact CG2-CB 3.61Å; V66-F140 HydrophobicContact CG2-CD1 4.46Å; V66-F140 HydrophobicContact CG2-CD2 4.13Å; V66-F140 HydrophobicContact CG2-CG 3.82Å; T136-F140 HydrophobicContact CG2-CD2 3.73Å; T136-F140 HydrophobicContact CG2-CE2 3.65Å; T136-F140 WeakPolarHBondContact O-CD2 3.24Å; T136-F140 PolarHBondContact O-N 3.44Å; V137-F140 PolarHBondContact O-N 3.37Å; Y138-F140 VanDerWaalsContact C-N 3.32Å; Y138-F140 PolarHBondContact O-N 2.96Å; F140-S142 VanDerWaalsContact C-N 3.31Å; F140-S142 PolarHBondContact O-N 3.25Å; F140-T143 PolarHBondContact O-N 3.38Å; F140-R147 HydrophobicContact CD1-CB 4.22Å; F140-R147 HydrophobicContact CD1-CG 4.1Å; F140-R147 HydrophobicContact CD2-CB 4.14Å; F140-R147 HydrophobicContact CE1-CB 4.15Å; F140-R147 HydrophobicContact CE1-CG 3.81Å; F140-R147 HydrophobicContact CE2-CB 4.08Å; F140-R147 HydrophobicContact CG-CB 4.21Å; F140-R147 HydrophobicContact CZ-CB 4.07Å; F140-R147 HydrophobicContact CZ-CG 4.06Å; F140-F148 HydrophobicContact CE1-CD1 4.43Å; F140-F148 HydrophobicContact CE1-CE1 4.04Å; F140-F148 HydrophobicContact CE1-CE2 4.45Å; F140-F148 HydrophobicContact CE1-CZ 4.04Å; F140-F148 HydrophobicContact CZ-CD1 4.09Å; F140-F148 HydrophobicContact CZ-CE1 4.08Å; F140-Q151 HydrophobicContact CE2-CB 4.23Å; F140-Q151 HydrophobicContact CZ-CB 4.39Å |
| 141 | I | 95.4 | Very high | 97.7 | Very high | 52 Ų | 52 | 49.9 Ų | 49.9 | 27% | 0.267 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61.7 | -42.5 | 177.8 | -66.3 | 168.1 | 0 | 0 | 0 | 110.6 | I51 T52 V137 Y138 T143 | I51-I141 HydrophobicContact CG2-CD1 3.91Å; T52-I141 HydrophobicContact CG2-CG1 4.22Å; V137-I141 HydrophobicContact CG1-CD1 3.77Å; V137-I141 WeakPolarHBondContact O-CG1 3.1Å; V137-I141 PolarHBondContact O-N 3.14Å; V137-I141 VanDerWaalsContact O-N 3.1Å; Y138-I141 PolarHBondContact O-N 3.29Å; I141-T143 VanDerWaalsContact C-N 3.27Å; I141-T143 PolarHBondContact O-N 2.59Å |
| 142 | S | 95.2 | Very high | 97.7 | Very high | 39 Ų | 39 | 49.2 Ų | 49.2 | 27% | 0.273 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 6 | -179.7 | -55.7 | 0 | 0 | 0 | 0 | 113.7 | Y138 F140 K144 | Y138-S142 WeakPolarHBondContact CE2-OG 3.35Å; Y138-S142 VanDerWaalsContact O-CB 3.24Å; Y138-S142 WeakPolarHBondContact O-CB 3.49Å; Y138-S142 PolarHBondContact O-N 2.64Å; Y138-S142 PolarHBondContact O-OG 3.41Å; Y138-S142 VanDerWaalsContact O-OG 3.08Å; F140-S142 VanDerWaalsContact C-N 3.31Å; F140-S142 PolarHBondContact O-N 3.25Å; S142-K144 PolarHBondContact O-N 2.95Å; S142-K144 VanDerWaalsContact O-N 3.15Å |
| 143 | T | 94.6 | Very high | 97.7 | Very high | 71 Ų | 71 | 50 Ų | 50 | 44% | 0.436 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | 38.5 | 178.2 | 44.7 | 0 | 0 | 0 | 0 | 114.2 | S139 F140 I141 R147 | S139-T143 PolarHBondContact O-N 2.91Å; S139-T143 VanDerWaalsContact O-N 3.07Å; F140-T143 PolarHBondContact O-N 3.38Å; I141-T143 VanDerWaalsContact C-N 3.27Å; I141-T143 PolarHBondContact O-N 2.59Å; T143-R147 PolarHBondContact O-NH1 2.7Å |
| 144 | K | 97.5 | Very high | 97.7 | Very high | 77 Ų | 77 | 50 Ų | 50 | 34% | 0.335 | 25% | 0.248 | S | C | . | . | trans | -67.8 | 148.2 | 177.1 | -58.4 | -64.2 | -173.9 | 178.2 | 0 | 110.9 | Y138 S139 S142 Y146 R147 | Y138-K144 HydrophobicContact CE1-CG 4.36Å; Y138-K144 WeakPolarHBondContact OH-CE 3.04Å; S139-K144 PolarHBondContact O-N 3.41Å; S142-K144 PolarHBondContact O-N 2.95Å; S142-K144 VanDerWaalsContact O-N 3.15Å; K144-Y146 VanDerWaalsContact C-N 3.31Å; K144-Y146 HydrophobicContact CB-CD1 4.09Å; K144-Y146 HydrophobicContact CB-CD2 4.36Å; K144-Y146 HydrophobicContact CB-CE1 3.73Å; K144-Y146 HydrophobicContact CB-CE2 4Å; K144-Y146 HydrophobicContact CB-CG 4.41Å; K144-Y146 HydrophobicContact CD-CE1 4.42Å; K144-Y146 HydrophobicContact CG-CE1 4.09Å; K144-Y146 HydrophobicContact CG-CE2 4.42Å; K144-Y146 PolarHBondContact O-N 3.2Å; K144-R147 VanDerWaalsContact O-CD 3.27Å; K144-R147 WeakPolarHBondContact O-CD 3.35Å; K144-R147 VanDerWaalsContact O-CG 3.23Å; K144-R147 WeakPolarHBondContact O-CG 3.15Å; K144-R147 PolarHBondContact O-N 3.03Å; K144-R147 PolarHBondContact O-NH1 3.08Å | ||
| 145 | S | 97.2 | Very high | 97.7 | Very high | 113 Ų | 113 | 46.3 Ų | 46.3 | 79% | 0.79 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -31.6 | -177.9 | 50.8 | 0 | 0 | 0 | 0 | 113.1 | R147 | S145-R147 VanDerWaalsContact C-N 3.32Å; S145-R147 PolarHBondContact O-N 3.17Å |
| 146 | Y | 97.9 | Very high | 97.7 | Very high | 77 Ų | 77 | 45.5 Ų | 45.5 | 30% | 0.302 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -0.2 | -178 | 58.3 | -106.7 | 0 | 0 | 0 | 114.6 | W135 K144 F148 V149 L150 | W135-Y146 AromaticContact CE2-CE2 3.98Å; W135-Y146 HydrophobicContact CZ2-CE2 4.35Å; W135-Y146 AromaticContact NE1-CE2 3.39Å; W135-Y146 AromaticContact NE1-CZ 3.5Å; W135-Y146 PolarHBondContact NE1-OH 3.42Å; K144-Y146 VanDerWaalsContact C-N 3.31Å; K144-Y146 HydrophobicContact CB-CD1 4.09Å; K144-Y146 HydrophobicContact CB-CD2 4.36Å; K144-Y146 HydrophobicContact CB-CE1 3.73Å; K144-Y146 HydrophobicContact CB-CE2 4Å; K144-Y146 HydrophobicContact CB-CG 4.41Å; K144-Y146 HydrophobicContact CD-CE1 4.42Å; K144-Y146 HydrophobicContact CG-CE1 4.09Å; K144-Y146 HydrophobicContact CG-CE2 4.42Å; K144-Y146 PolarHBondContact O-N 3.2Å; Y146-F148 PolarHBondContact O-N 3.49Å; Y146-F148 VanDerWaalsContact O-N 3.14Å; Y146-V149 WeakPolarHBondContact O-CA 3.29Å; Y146-V149 WeakPolarHBondContact O-CB 3.11Å; Y146-V149 PolarHBondContact O-N 3.15Å; Y146-L150 HydrophobicContact CD2-CD1 3.57Å; Y146-L150 HydrophobicContact CD2-CG 3.94Å; Y146-L150 HydrophobicContact CE2-CD1 3.59Å; Y146-L150 HydrophobicContact CE2-CG 4.43Å; Y146-L150 PolarHBondContact O-N 2.94Å |
| 147 | R | 98.3 | Very high | 97.7 | Very high | 67 Ų | 67 | 46.1 Ų | 46.1 | 25% | 0.253 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -53.9 | -37.7 | -174.6 | 65.3 | -169.4 | 173.9 | -113.1 | 8.4 | 114.1 | S139 F140 T143 K144 S145 Q151 | S139-R147 WeakPolarHBondContact OG-CA 3.5Å; S139-R147 WeakPolarHBondContact OG-CB 3.38Å; F140-R147 HydrophobicContact CD1-CB 4.22Å; F140-R147 HydrophobicContact CD1-CG 4.1Å; F140-R147 HydrophobicContact CD2-CB 4.14Å; F140-R147 HydrophobicContact CE1-CB 4.15Å; F140-R147 HydrophobicContact CE1-CG 3.81Å; F140-R147 HydrophobicContact CE2-CB 4.08Å; F140-R147 HydrophobicContact CG-CB 4.21Å; F140-R147 HydrophobicContact CZ-CB 4.07Å; F140-R147 HydrophobicContact CZ-CG 4.06Å; T143-R147 PolarHBondContact O-NH1 2.7Å; K144-R147 VanDerWaalsContact O-CD 3.27Å; K144-R147 WeakPolarHBondContact O-CD 3.35Å; K144-R147 VanDerWaalsContact O-CG 3.23Å; K144-R147 WeakPolarHBondContact O-CG 3.15Å; K144-R147 PolarHBondContact O-N 3.03Å; K144-R147 PolarHBondContact O-NH1 3.08Å; S145-R147 VanDerWaalsContact C-N 3.32Å; S145-R147 PolarHBondContact O-N 3.17Å; R147-Q151 PolarHBondContact O-N 3.1Å; R147-Q151 VanDerWaalsContact O-N 3.07Å |
| 148 | F | 98.4 | Very high | 97.7 | Very high | 20 Ų | 20 | 45.5 Ų | 45.5 | 9% | 0.088 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -78.3 | -26.6 | 177.9 | -73 | -70.5 | 0 | 0 | 0 | 113.4 | R62 F140 Y146 L152 A207 Q210 L211 | R62-F148 VanDerWaalsContact NH2-CE1 3.26Å; F140-F148 HydrophobicContact CE1-CD1 4.43Å; F140-F148 HydrophobicContact CE1-CE1 4.04Å; F140-F148 HydrophobicContact CE1-CE2 4.45Å; F140-F148 HydrophobicContact CE1-CZ 4.04Å; F140-F148 HydrophobicContact CZ-CD1 4.09Å; F140-F148 HydrophobicContact CZ-CE1 4.08Å; Y146-F148 PolarHBondContact O-N 3.49Å; Y146-F148 VanDerWaalsContact O-N 3.14Å; F148-L152 WeakPolarHBondContact O-CB 3.3Å; F148-L152 PolarHBondContact O-N 2.59Å; F148-A207 HydrophobicContact CD1-CB 4.34Å; F148-Q210 HydrophobicContact CD1-CB 3.84Å; F148-Q210 HydrophobicContact CD1-CG 4.09Å; F148-Q210 HydrophobicContact CD2-CB 4.02Å; F148-Q210 HydrophobicContact CE1-CB 3.73Å; F148-Q210 HydrophobicContact CE1-CG 3.49Å; F148-Q210 VanDerWaalsContact CE1-CG 3.49Å; F148-Q210 HydrophobicContact CE2-CB 3.95Å; F148-Q210 HydrophobicContact CE2-CG 4.17Å; F148-Q210 HydrophobicContact CG-CB 3.96Å; F148-Q210 HydrophobicContact CZ-CB 3.81Å; F148-Q210 HydrophobicContact CZ-CG 3.56Å; F148-L211 HydrophobicContact CB-CD1 4.39Å; F148-L211 HydrophobicContact CB-CD2 3.83Å; F148-L211 HydrophobicContact CB-CG 3.91Å |
| 149 | V | 98.6 | Very high | 97.8 | Very high | 64 Ų | 64 | 41.6 Ų | 41.6 | 39% | 0.388 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -68 | -45.7 | 172.3 | 179.6 | 0 | 0 | 0 | 0 | 109.6 | Y146 L152 I153 L211 | Y146-V149 WeakPolarHBondContact O-CA 3.29Å; Y146-V149 WeakPolarHBondContact O-CB 3.11Å; Y146-V149 PolarHBondContact O-N 3.15Å; V149-L152 PolarHBondContact O-N 2.79Å; V149-I153 HydrophobicContact CG1-CD1 3.76Å; V149-I153 HydrophobicContact CG1-CG1 4.46Å; V149-I153 VanDerWaalsContact O-CG1 3.32Å; V149-I153 WeakPolarHBondContact O-CG1 3.22Å; V149-I153 PolarHBondContact O-N 3.11Å; V149-L211 HydrophobicContact CG2-CD1 4.45Å; V149-L211 HydrophobicContact CG2-CD2 3.89Å |
| 150 | L | 98.5 | Very high | 97.8 | Very high | 16 Ų | 16 | 48.8 Ų | 48.8 | 8% | 0.084 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.1 | -48.2 | 175 | -70.6 | 178.5 | 0 | 0 | 0 | 111.9 | W135 T136 Y146 L152 I153 I154 | W135-L150 HydrophobicContact CB-CD1 4.36Å; W135-L150 HydrophobicContact CD2-CD1 4.03Å; W135-L150 HydrophobicContact CG-CD1 3.86Å; T136-L150 WeakPolarHBondContact OG1-CB 3.16Å; Y146-L150 HydrophobicContact CD2-CD1 3.57Å; Y146-L150 HydrophobicContact CD2-CG 3.94Å; Y146-L150 HydrophobicContact CE2-CD1 3.59Å; Y146-L150 HydrophobicContact CE2-CG 4.43Å; Y146-L150 PolarHBondContact O-N 2.94Å; L150-L152 VanDerWaalsContact C-N 3.29Å; L150-L152 PolarHBondContact O-N 2.73Å; L150-I153 PolarHBondContact O-N 2.88Å; L150-I154 HydrophobicContact CB-CD1 4.42Å; L150-I154 WeakPolarHBondContact O-CD1 3.23Å; L150-I154 VanDerWaalsContact O-CG1 3.25Å; L150-I154 WeakPolarHBondContact O-CG1 3.4Å; L150-I154 PolarHBondContact O-N 3.38Å |
| 151 | Q | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -52.4 | -48.7 | 175 | 176.9 | 175.5 | -54.7 | 0 | 0 | 111.2 | F69 F140 R147 S155 L203 D206 A207 | F69-Q151 HydrophobicContact CE2-CB 4.21Å; F69-Q151 HydrophobicContact CE2-CG 3.81Å; F69-Q151 HydrophobicContact CZ-CB 4.14Å; F69-Q151 HydrophobicContact CZ-CG 3.82Å; F140-Q151 HydrophobicContact CE2-CB 4.23Å; F140-Q151 HydrophobicContact CZ-CB 4.39Å; R147-Q151 PolarHBondContact O-N 3.1Å; R147-Q151 VanDerWaalsContact O-N 3.07Å; Q151-S155 WeakPolarHBondContact O-CB 3.29Å; Q151-S155 PolarHBondContact O-N 2.99Å; Q151-S155 PolarHBondContact O-OG 3.23Å; Q151-L203 HydrophobicContact CG-CB 4.1Å; Q151-L203 PolarHBondContact NE2-O 3.37Å; Q151-D206 PolarHBondContact NE2-OD2 3.4Å; Q151-A207 HydrophobicContact CB-CB 4.43Å; Q151-A207 HydrophobicContact CG-CB 4.19Å |
| 152 | L | 98.8 | Very high | 98 | Very high | 44 Ų | 44 | 47.2 Ų | 47.2 | 23% | 0.23 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.9 | -49.1 | -179.4 | -177.4 | 64.4 | 0 | 0 | 0 | 112.4 | F148 V149 L150 L156 I204 A207 L211 | F148-L152 WeakPolarHBondContact O-CB 3.3Å; F148-L152 PolarHBondContact O-N 2.59Å; V149-L152 PolarHBondContact O-N 2.79Å; L150-L152 VanDerWaalsContact C-N 3.29Å; L150-L152 PolarHBondContact O-N 2.73Å; L152-L156 VanDerWaalsContact O-CB 3.28Å; L152-L156 WeakPolarHBondContact O-CB 3.42Å; L152-L156 PolarHBondContact O-N 3.39Å; L152-I204 HydrophobicContact CD1-CB 4.23Å; L152-I204 HydrophobicContact CD1-CG1 4.21Å; L152-I204 HydrophobicContact CD1-CG2 3.82Å; L152-A207 HydrophobicContact CB-CB 3.89Å; L152-A207 HydrophobicContact CD1-CB 4.36Å; L152-L211 HydrophobicContact CD2-CD1 3.99Å |
| 153 | I | 98.5 | Very high | 98.2 | Very high | 81 Ų | 81 | 47.6 Ų | 47.6 | 42% | 0.415 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -61.8 | -49 | -176.7 | -70.1 | 169 | 0 | 0 | 0 | 110.7 | W129 V149 L150 L156 G157 | W129-I153 HydrophobicContact CH2-CG2 4.5Å; W129-I153 HydrophobicContact CZ3-CG2 4.08Å; V149-I153 HydrophobicContact CG1-CD1 3.76Å; V149-I153 HydrophobicContact CG1-CG1 4.46Å; V149-I153 VanDerWaalsContact O-CG1 3.32Å; V149-I153 WeakPolarHBondContact O-CG1 3.22Å; V149-I153 PolarHBondContact O-N 3.11Å; L150-I153 PolarHBondContact O-N 2.88Å; I153-L156 PolarHBondContact O-N 2.87Å; I153-G157 PolarHBondContact O-N 3.46Å |
| 154 | I | 98.4 | Very high | 98.4 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68.3 | -45.8 | -176.7 | -58.9 | 159.4 | 0 | 0 | 0 | 110.1 | F69 W129 F132 T136 L150 L156 G157 Q158 | F69-I154 HydrophobicContact CD1-CD1 4.48Å; F69-I154 HydrophobicContact CD1-CG2 4.45Å; F69-I154 HydrophobicContact CE1-CB 4.03Å; F69-I154 HydrophobicContact CE1-CD1 4.12Å; F69-I154 HydrophobicContact CE1-CG2 3.85Å; W129-I154 HydrophobicContact CB-CG2 4.32Å; W129-I154 HydrophobicContact CE3-CG1 4.31Å; W129-I154 HydrophobicContact CE3-CG2 4.49Å; F132-I154 VanDerWaalsContact C-CD1 3.45Å; F132-I154 HydrophobicContact CB-CD1 3.66Å; F132-I154 HydrophobicContact CB-CG1 3.83Å; F132-I154 VanDerWaalsContact O-CD1 3.26Å; F132-I154 WeakPolarHBondContact O-CD1 3.33Å; T136-I154 WeakPolarHBondContact OG1-CD1 3.23Å; L150-I154 HydrophobicContact CB-CD1 4.42Å; L150-I154 WeakPolarHBondContact O-CD1 3.23Å; L150-I154 VanDerWaalsContact O-CG1 3.25Å; L150-I154 WeakPolarHBondContact O-CG1 3.4Å; L150-I154 PolarHBondContact O-N 3.38Å; I154-L156 VanDerWaalsContact C-N 3.3Å; I154-L156 PolarHBondContact O-N 3.31Å; I154-G157 PolarHBondContact O-N 3.16Å; I154-G157 VanDerWaalsContact O-N 3.15Å; I154-Q158 HydrophobicContact CG2-CG 4.29Å; I154-Q158 WeakPolarHBondContact O-CG 3.22Å; I154-Q158 PolarHBondContact O-N 2.88Å |
| 155 | S | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.6 | -36.6 | 179.6 | -65.8 | 0 | 0 | 0 | 0 | 112.2 | Q151 L159 P200 L203 | Q151-S155 WeakPolarHBondContact O-CB 3.29Å; Q151-S155 PolarHBondContact O-N 2.99Å; Q151-S155 PolarHBondContact O-OG 3.23Å; S155-L159 WeakPolarHBondContact O-CB 3.32Å; S155-L159 PolarHBondContact O-N 2.97Å; S155-P200 VanDerWaalsContact O-CB 3.3Å; S155-P200 WeakPolarHBondContact O-CB 3.47Å; S155-L203 WeakPolarHBondContact OG-CB 3Å |
| 156 | L | 98.7 | Very high | 98.5 | Very high | 100 Ų | 100 | 39.5 Ų | 39.5 | 52% | 0.524 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -65.5 | -43.4 | 172.6 | -178.6 | 62.3 | 0 | 0 | 0 | 111.8 | L152 I153 I154 L159 Y160 I204 | L152-L156 VanDerWaalsContact O-CB 3.28Å; L152-L156 WeakPolarHBondContact O-CB 3.42Å; L152-L156 PolarHBondContact O-N 3.39Å; I153-L156 PolarHBondContact O-N 2.87Å; I154-L156 VanDerWaalsContact C-N 3.3Å; I154-L156 PolarHBondContact O-N 3.31Å; L156-L159 PolarHBondContact O-N 3.01Å; L156-Y160 VanDerWaalsContact O-CB 3.31Å; L156-Y160 WeakPolarHBondContact O-CB 3.37Å; L156-Y160 PolarHBondContact O-N 3.31Å; L156-I204 HydrophobicContact CB-CD1 4.32Å; L156-I204 HydrophobicContact CD1-CD1 4.39Å |
| 157 | G | 98.3 | Very high | 98.5 | Very high | 13 Ų | 13 | 42.2 Ų | 42.2 | 13% | 0.134 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.3 | -46 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | I153 I154 Y160 G161 | I153-G157 PolarHBondContact O-N 3.46Å; I154-G157 PolarHBondContact O-N 3.16Å; I154-G157 VanDerWaalsContact O-N 3.15Å; G157-Y160 PolarHBondContact O-N 3.4Å; G157-G161 PolarHBondContact O-N 3.42Å |
| 158 | Q | 98.4 | Very high | 98.5 | Very high | 7 Ų | 7 | 40.9 Ų | 40.9 | 3% | 0.033 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.7 | -48.5 | 175.6 | -72.9 | 174.4 | -19.4 | 0 | 0 | 111.7 | C72 H76 I154 Y160 G161 A162 P200 | C72-Q158 PolarHBondContact SG-NE2 3.39Å; C72-Q158 VanDerWaalsContact SG-NE2 3.39Å; H76-Q158 PolarHBondContact NE2-NE2 2.99Å; I154-Q158 HydrophobicContact CG2-CG 4.29Å; I154-Q158 WeakPolarHBondContact O-CG 3.22Å; I154-Q158 PolarHBondContact O-N 2.88Å; Q158-Y160 VanDerWaalsContact C-N 3.35Å; Q158-Y160 PolarHBondContact O-N 2.99Å; Q158-G161 PolarHBondContact O-N 3.36Å; Q158-A162 WeakPolarHBondContact O-CB 3.24Å; Q158-A162 PolarHBondContact O-N 2.91Å; Q158-P200 HydrophobicContact CB-CB 4.35Å; Q158-P200 HydrophobicContact CB-CG 4Å |
| 159 | L | 98.6 | Very high | 98.4 | Very high | 30 Ų | 30 | 40 Ų | 40 | 16% | 0.157 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.9 | -46.2 | 177.6 | 175.5 | 62.1 | 0 | 0 | 0 | 111.2 | S155 L156 A162 V163 I197 P200 L201 I204 | S155-L159 WeakPolarHBondContact O-CB 3.32Å; S155-L159 PolarHBondContact O-N 2.97Å; L156-L159 PolarHBondContact O-N 3.01Å; L159-A162 PolarHBondContact O-N 3.28Å; L159-V163 HydrophobicContact CD1-CG2 4.02Å; L159-V163 HydrophobicContact CG-CG2 4.47Å; L159-V163 WeakPolarHBondContact O-CB 3.14Å; L159-V163 WeakPolarHBondContact O-CG2 3.49Å; L159-V163 PolarHBondContact O-N 3.31Å; L159-I197 HydrophobicContact CD1-CB 4.16Å; L159-I197 HydrophobicContact CD1-CG1 4.29Å; L159-I197 HydrophobicContact CD1-CG2 3.72Å; L159-P200 HydrophobicContact CB-CB 4.39Å; L159-L201 HydrophobicContact CD2-CD1 4.16Å; L159-I204 HydrophobicContact CB-CD1 4.43Å; L159-I204 HydrophobicContact CD2-CD1 3.79Å |
| 160 | Y | 98.6 | Very high | 98.4 | Very high | 152 Ų | 152 | 42 Ų | 42 | 60% | 0.596 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -64.1 | -45.6 | -179.4 | -179.1 | -127.1 | 0 | 0 | 0 | 111.9 | L156 G157 Q158 V163 L164 | L156-Y160 VanDerWaalsContact O-CB 3.31Å; L156-Y160 WeakPolarHBondContact O-CB 3.37Å; L156-Y160 PolarHBondContact O-N 3.31Å; G157-Y160 PolarHBondContact O-N 3.4Å; Q158-Y160 VanDerWaalsContact C-N 3.35Å; Q158-Y160 PolarHBondContact O-N 2.99Å; Y160-V163 PolarHBondContact O-N 3.31Å; Y160-L164 HydrophobicContact CD1-CD1 4.3Å; Y160-L164 HydrophobicContact CD2-CD1 4.37Å; Y160-L164 HydrophobicContact CD2-CG 4.24Å; Y160-L164 HydrophobicContact CE1-CD1 3.76Å; Y160-L164 HydrophobicContact CE2-CD1 3.83Å; Y160-L164 HydrophobicContact CE2-CD2 4.13Å; Y160-L164 HydrophobicContact CE2-CG 3.87Å; Y160-L164 WeakPolarHBondContact O-CG 3.43Å; Y160-L164 PolarHBondContact O-N 2.85Å |
| 161 | G | 98.3 | Very high | 98.3 | Very high | 11 Ų | 11 | 51.8 Ų | 51.8 | 11% | 0.113 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.6 | -49.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | G157 Q158 V163 L164 Y165 | G157-G161 PolarHBondContact O-N 3.42Å; Q158-G161 PolarHBondContact O-N 3.36Å; G161-V163 VanDerWaalsContact C-N 3.34Å; G161-V163 PolarHBondContact O-N 3.46Å; G161-L164 PolarHBondContact O-N 2.8Å; G161-Y165 WeakPolarHBondContact O-CB 3.14Å; G161-Y165 PolarHBondContact O-N 3.27Å |
| 162 | A | 98.3 | Very high | 98.2 | Very high | 10 Ų | 10 | 55.3 Ų | 55.3 | 8% | 0.083 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.6 | -39.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q158 L159 Y165 F166 W196 I197 | Q158-A162 WeakPolarHBondContact O-CB 3.24Å; Q158-A162 PolarHBondContact O-N 2.91Å; L159-A162 PolarHBondContact O-N 3.28Å; A162-Y165 WeakPolarHBondContact O-CB 3.44Å; A162-Y165 PolarHBondContact O-N 3.35Å; A162-F166 VanDerWaalsContact O-CD2 3.23Å; A162-F166 WeakPolarHBondContact O-CD2 3.28Å; A162-F166 PolarHBondContact O-N 3.19Å; A162-F166 VanDerWaalsContact O-N 3.13Å; A162-W196 HydrophobicContact CB-CB 4.15Å; A162-I197 HydrophobicContact CB-CD1 4.44Å; A162-I197 HydrophobicContact CB-CG1 3.77Å |
| 163 | V | 98.3 | Very high | 98.1 | Very high | 47 Ų | 47 | 55.6 Ų | 55.6 | 29% | 0.285 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.4 | -46.6 | 175.2 | 166.4 | 0 | 0 | 0 | 0 | 110.9 | L159 Y160 G161 Y165 F166 F167 | L159-V163 HydrophobicContact CD1-CG2 4.02Å; L159-V163 HydrophobicContact CG-CG2 4.47Å; L159-V163 WeakPolarHBondContact O-CB 3.14Å; L159-V163 WeakPolarHBondContact O-CG2 3.49Å; L159-V163 PolarHBondContact O-N 3.31Å; Y160-V163 PolarHBondContact O-N 3.31Å; G161-V163 VanDerWaalsContact C-N 3.34Å; G161-V163 PolarHBondContact O-N 3.46Å; V163-Y165 VanDerWaalsContact C-N 3.34Å; V163-Y165 PolarHBondContact O-N 3.06Å; V163-F166 PolarHBondContact O-N 3.14Å; V163-F167 HydrophobicContact CG1-CD2 3.48Å; V163-F167 VanDerWaalsContact CG1-CD2 3.48Å; V163-F167 HydrophobicContact CG1-CE2 3.48Å; V163-F167 VanDerWaalsContact CG1-CE2 3.48Å; V163-F167 WeakPolarHBondContact O-CB 3.36Å; V163-F167 WeakPolarHBondContact O-CD2 3.3Å; V163-F167 PolarHBondContact O-N 3.29Å |
| 164 | L | 98.6 | Very high | 98.1 | Very high | 52 Ų | 52 | 54.6 Ų | 54.6 | 27% | 0.272 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.9 | -40.7 | 176 | -72.1 | -178.5 | 0 | 0 | 0 | 111.9 | F117 Y160 G161 F166 F167 T168 | F117-L164 HydrophobicContact CE1-CB 4.42Å; F117-L164 HydrophobicContact CE2-CB 3.77Å; F117-L164 HydrophobicContact CE2-CD1 3.98Å; F117-L164 HydrophobicContact CZ-CB 3.42Å; F117-L164 VanDerWaalsContact CZ-CB 3.42Å; F117-L164 HydrophobicContact CZ-CD1 4.35Å; Y160-L164 HydrophobicContact CD1-CD1 4.3Å; Y160-L164 HydrophobicContact CD2-CD1 4.37Å; Y160-L164 HydrophobicContact CD2-CG 4.24Å; Y160-L164 HydrophobicContact CE1-CD1 3.76Å; Y160-L164 HydrophobicContact CE2-CD1 3.83Å; Y160-L164 HydrophobicContact CE2-CD2 4.13Å; Y160-L164 HydrophobicContact CE2-CG 3.87Å; Y160-L164 WeakPolarHBondContact O-CG 3.43Å; Y160-L164 PolarHBondContact O-N 2.85Å; G161-L164 PolarHBondContact O-N 2.8Å; L164-F166 VanDerWaalsContact C-N 3.34Å; L164-F166 PolarHBondContact O-N 2.54Å; L164-F167 PolarHBondContact O-N 2.82Å; L164-F167 VanDerWaalsContact O-N 3.16Å; L164-T168 WeakPolarHBondContact O-CG2 3.23Å; L164-T168 PolarHBondContact O-N 3.36Å; L164-T168 PolarHBondContact O-OG1 2.91Å |
| 165 | Y | 98.5 | Very high | 98 | Very high | 1 Ų | 1 | 57.9 Ų | 57.9 | 0% | 0.004 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -55.4 | -45.2 | 176.7 | 171.7 | -98.4 | 0 | 0 | 0 | 113.2 | Y104 D108 R110 Y111 M121 G161 A162 V163 T168 E169 F189 N193 | Y104-Y165 PolarHBondContact OH-OH 3.28Å; D108-Y165 WeakPolarHBondContact OD2-CE2 3.47Å; D108-Y165 PolarHBondContact OD2-OH 2.95Å; R110-Y165 PolarHBondContact NH1-O 2.72Å; R110-Y165 PolarHBondContact NH2-O 2.99Å; Y111-Y165 AromaticContact CE2-CE2 3.85Å; Y111-Y165 HydrophobicContact CE2-CE2 3.85Å; M121-Y165 HydrophobicContact CE-CD2 4.23Å; G161-Y165 WeakPolarHBondContact O-CB 3.14Å; G161-Y165 PolarHBondContact O-N 3.27Å; A162-Y165 WeakPolarHBondContact O-CB 3.44Å; A162-Y165 PolarHBondContact O-N 3.35Å; V163-Y165 VanDerWaalsContact C-N 3.34Å; V163-Y165 PolarHBondContact O-N 3.06Å; Y165-T168 PolarHBondContact O-OG1 2.75Å; Y165-T168 VanDerWaalsContact O-OG1 3.05Å; Y165-E169 PolarHBondContact O-N 3.05Å; Y165-F189 HydrophobicContact CD1-CE2 4.42Å; Y165-F189 AromaticContact CE1-CD2 3.84Å; Y165-F189 HydrophobicContact CE1-CD2 3.84Å; Y165-F189 AromaticContact CE1-CE2 3.52Å; Y165-F189 HydrophobicContact CE1-CE2 3.52Å; Y165-F189 HydrophobicContact CE1-CZ 4.26Å; Y165-F189 AromaticContact CZ-CD2 3.83Å; Y165-F189 AromaticContact CZ-CE2 3.66Å; Y165-F189 WeakPolarHBondContact OH-CD2 3.49Å; Y165-F189 WeakPolarHBondContact OH-CE2 3.38Å; Y165-N193 HydrophobicContact CD1-CB 4.37Å; Y165-N193 HydrophobicContact CE1-CB 4.15Å; Y165-N193 WeakPolarHBondContact CE1-ND2 3.45Å |
| 166 | F | 98.3 | Very high | 97.9 | Very high | 38 Ų | 38 | 59.1 Ų | 59.1 | 17% | 0.167 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -70.9 | -40.7 | 174.7 | -79 | -65.1 | 0 | 0 | 0 | 112.4 | A162 V163 L164 E169 H170 F189 N193 I197 | A162-F166 VanDerWaalsContact O-CD2 3.23Å; A162-F166 WeakPolarHBondContact O-CD2 3.28Å; A162-F166 PolarHBondContact O-N 3.19Å; A162-F166 VanDerWaalsContact O-N 3.13Å; V163-F166 PolarHBondContact O-N 3.14Å; L164-F166 VanDerWaalsContact C-N 3.34Å; L164-F166 PolarHBondContact O-N 2.54Å; F166-E169 PolarHBondContact O-N 2.98Å; F166-H170 WeakPolarHBondContact O-CB 3.27Å; F166-H170 PolarHBondContact O-N 2.98Å; F166-F189 AromaticContact CD1-CE1 3.66Å; F166-F189 HydrophobicContact CD1-CE1 3.66Å; F166-F189 AromaticContact CD1-CZ 3.65Å; F166-F189 HydrophobicContact CD1-CZ 3.65Å; F166-F189 HydrophobicContact CE1-CD1 4.08Å; F166-F189 AromaticContact CE1-CE1 3.62Å; F166-F189 HydrophobicContact CE1-CE1 3.62Å; F166-F189 AromaticContact CE1-CZ 3.92Å; F166-F189 HydrophobicContact CE1-CZ 3.92Å; F166-N193 HydrophobicContact CE1-CB 4.47Å; F166-N193 HydrophobicContact CE2-CB 3.76Å; F166-N193 HydrophobicContact CZ-CB 3.54Å; F166-I197 HydrophobicContact CD2-CD1 3.74Å; F166-I197 HydrophobicContact CE2-CD1 3.67Å |
| 167 | F | 98.1 | Very high | 97.8 | Very high | 133 Ų | 133 | 54.6 Ų | 54.6 | 58% | 0.583 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -67.9 | -37.3 | -177.9 | -87.4 | -57.4 | 0 | 0 | 0 | 113.2 | V163 L164 R171 | V163-F167 HydrophobicContact CG1-CD2 3.48Å; V163-F167 VanDerWaalsContact CG1-CD2 3.48Å; V163-F167 HydrophobicContact CG1-CE2 3.48Å; V163-F167 VanDerWaalsContact CG1-CE2 3.48Å; V163-F167 WeakPolarHBondContact O-CB 3.36Å; V163-F167 WeakPolarHBondContact O-CD2 3.3Å; V163-F167 PolarHBondContact O-N 3.29Å; L164-F167 PolarHBondContact O-N 2.82Å; L164-F167 VanDerWaalsContact O-N 3.16Å; F167-R171 WeakPolarHBondContact O-CB 3.36Å; F167-R171 PolarHBondContact O-N 3.12Å |
| 168 | T | 98.1 | Very high | 97.7 | Very high | 39 Ų | 39 | 57.1 Ų | 57.1 | 24% | 0.239 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.1 | -47.2 | 175.5 | 49.7 | 0 | 0 | 0 | 0 | 110.3 | R110 F117 L164 Y165 H170 R171 D172 | R110-T168 PolarHBondContact NH1-OG1 3.39Å; F117-T168 HydrophobicContact CD1-CG2 4.05Å; F117-T168 HydrophobicContact CD2-CG2 4.23Å; F117-T168 HydrophobicContact CE1-CG2 4.4Å; F117-T168 HydrophobicContact CG-CG2 3.98Å; L164-T168 WeakPolarHBondContact O-CG2 3.23Å; L164-T168 PolarHBondContact O-N 3.36Å; L164-T168 PolarHBondContact O-OG1 2.91Å; Y165-T168 PolarHBondContact O-OG1 2.75Å; Y165-T168 VanDerWaalsContact O-OG1 3.05Å; T168-H170 PolarHBondContact O-N 2.87Å; T168-R171 WeakPolarHBondContact O-CB 3.27Å; T168-R171 PolarHBondContact O-N 2.87Å; T168-D172 PolarHBondContact O-N 3.38Å |
| 169 | E | 97.6 | Very high | 97.6 | Very high | 1 Ų | 1 | 63.4 Ų | 63.4 | 1% | 0.005 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -68.5 | -37.7 | 178.7 | -169.1 | 55.4 | -160.3 | 0 | 0 | 113.1 | R110 Y165 F166 R171 D172 G173 Y174 V175 H176 F189 | R110-E169 VanDerWaalsContact CD-OE2 3.25Å; R110-E169 WeakPolarHBondContact CD-OE2 3.39Å; R110-E169 IonicContact CZ-OE2 3.15Å; R110-E169 IonicContact NE-OE2 3.63Å; R110-E169 PolarHBondContact NE-OE2 2.86Å; R110-E169 IonicContact NH1-OE2 2.79Å; R110-E169 PolarHBondContact NH1-OE2 3.43Å; R110-E169 IonicContact NH2-OE2 2.94Å; Y165-E169 PolarHBondContact O-N 3.05Å; F166-E169 PolarHBondContact O-N 2.98Å; E169-R171 VanDerWaalsContact C-N 3.27Å; E169-R171 PolarHBondContact O-N 3.34Å; E169-D172 CarbonylContact O-C 3.59Å; E169-D172 PolarHBondContact O-N 2.83Å; E169-G173 PolarHBondContact O-N 3.43Å; E169-G173 VanDerWaalsContact O-N 3.12Å; E169-Y174 HydrophobicContact CB-CD1 4.48Å; E169-Y174 HydrophobicContact CG-CD1 3.75Å; E169-Y174 HydrophobicContact CG-CE1 4.4Å; E169-Y174 PolarHBondContact O-N 2.83Å; E169-Y174 WeakPolarHBondContact OE1-CA 3.37Å; E169-V175 PolarHBondContact OE1-N 3.08Å; E169-H176 WeakPolarHBondContact OE1-CB 3.31Å; E169-H176 IonicContact OE1-CG 2.73Å; E169-H176 PolarHBondContact OE1-N 3.37Å; E169-H176 IonicContact OE1-ND1 3.97Å; E169-H176 PolarHBondContact OE1-ND1 3.3Å; E169-H176 IonicContact OE2-CE1 3.74Å; E169-H176 IonicContact OE2-CG 3.68Å; E169-H176 IonicContact OE2-ND1 3.29Å; E169-H176 PolarHBondContact OE2-ND1 3.41Å; E169-F189 HydrophobicContact CB-CE2 4.01Å; E169-F189 HydrophobicContact CB-CZ 3.75Å; E169-F189 HydrophobicContact CG-CE2 3.79Å; E169-F189 HydrophobicContact CG-CZ 3.63Å |
| 170 | H | 97.5 | Very high | 97.5 | Very high | 106 Ų | 106 | 63.7 Ų | 63.7 | 49% | 0.491 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.1 | -41.3 | 174.5 | 179 | 73.8 | 0 | 0 | 0 | 111.3 | F166 T168 D172 G173 Y174 | F166-H170 WeakPolarHBondContact O-CB 3.27Å; F166-H170 PolarHBondContact O-N 2.98Å; T168-H170 PolarHBondContact O-N 2.87Å; H170-D172 VanDerWaalsContact C-N 3.3Å; H170-G173 PolarHBondContact O-N 3.48Å; H170-G173 VanDerWaalsContact O-N 3.08Å; H170-Y174 HydrophobicContact CB-CE1 4.38Å; H170-Y174 HydrophobicContact CB-CE2 4.42Å; H170-Y174 AromaticContact ND1-CE2 3.45Å; H170-Y174 WeakPolarHBondContact ND1-CE2 3.24Å; H170-Y174 AromaticContact ND1-CZ 3.47Å; H170-Y174 PolarHBondContact ND1-OH 3.18Å |
| 171 | R | 97.8 | Very high | 97.4 | Very high | 222 Ų | 222 | 58.5 Ų | 58.5 | 84% | 0.838 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -67.6 | -33.4 | 177.7 | -169.1 | -176.8 | -175.6 | 169.7 | 1.6 | 112.1 | F167 T168 E169 G173 | F167-R171 WeakPolarHBondContact O-CB 3.36Å; F167-R171 PolarHBondContact O-N 3.12Å; T168-R171 WeakPolarHBondContact O-CB 3.27Å; T168-R171 PolarHBondContact O-N 2.87Å; E169-R171 VanDerWaalsContact C-N 3.27Å; E169-R171 PolarHBondContact O-N 3.34Å; R171-G173 PolarHBondContact O-N 3.42Å |
| 172 | D | 96.7 | Very high | 97.4 | Very high | 75 Ų | 75 | 62.3 Ų | 62.3 | 40% | 0.401 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | 0.7 | 173.6 | -67.2 | -22.2 | 0 | 0 | 0 | 112.7 | T168 E169 H170 V175 H176 | T168-D172 PolarHBondContact O-N 3.38Å; E169-D172 CarbonylContact O-C 3.59Å; E169-D172 PolarHBondContact O-N 2.83Å; H170-D172 VanDerWaalsContact C-N 3.3Å; D172-V175 HydrophobicContact CB-CG2 4.18Å; D172-V175 WeakPolarHBondContact O-CG1 3.38Å; D172-V175 WeakPolarHBondContact O-CG2 3.27Å; D172-H176 IonicContact OD2-CE1 3.6Å |
| 173 | G | 96.9 | Very high | 97.4 | Very high | 50 Ų | 50 | 65.2 Ų | 65.2 | 52% | 0.515 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.5 | 24.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | E169 H170 R171 V175 | E169-G173 PolarHBondContact O-N 3.43Å; E169-G173 VanDerWaalsContact O-N 3.12Å; H170-G173 PolarHBondContact O-N 3.48Å; H170-G173 VanDerWaalsContact O-N 3.08Å; R171-G173 PolarHBondContact O-N 3.42Å; G173-V175 VanDerWaalsContact C-N 3.27Å; G173-V175 PolarHBondContact O-N 3.27Å |
| 174 | Y | 96.6 | Very high | 97.3 | Very high | 59 Ų | 59 | 65 Ų | 65 | 23% | 0.231 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | 31.5 | -178.9 | -54.3 | -78.7 | 0 | 0 | 0 | 114.8 | E169 H170 H176 F179 F185 F189 | E169-Y174 HydrophobicContact CB-CD1 4.48Å; E169-Y174 HydrophobicContact CG-CD1 3.75Å; E169-Y174 HydrophobicContact CG-CE1 4.4Å; E169-Y174 PolarHBondContact O-N 2.83Å; E169-Y174 WeakPolarHBondContact OE1-CA 3.37Å; H170-Y174 HydrophobicContact CB-CE1 4.38Å; H170-Y174 HydrophobicContact CB-CE2 4.42Å; H170-Y174 AromaticContact ND1-CE2 3.45Å; H170-Y174 WeakPolarHBondContact ND1-CE2 3.24Å; H170-Y174 AromaticContact ND1-CZ 3.47Å; H170-Y174 PolarHBondContact ND1-OH 3.18Å; Y174-H176 VanDerWaalsContact C-N 3.26Å; Y174-H176 PolarHBondContact O-N 2.8Å; Y174-F179 HydrophobicContact CD2-CD2 4.01Å; Y174-F179 AromaticContact CD2-CE2 3.51Å; Y174-F179 HydrophobicContact CD2-CE2 3.51Å; Y174-F179 HydrophobicContact CE2-CE2 4.09Å; Y174-F179 AromaticContact CG-CD2 3.86Å; Y174-F179 HydrophobicContact CG-CD2 3.86Å; Y174-F179 AromaticContact CG-CE2 3.75Å; Y174-F179 HydrophobicContact CG-CE2 3.75Å; Y174-F185 AromaticContact CD1-CE2 3.83Å; Y174-F185 HydrophobicContact CD1-CE2 3.83Å; Y174-F185 HydrophobicContact CD1-CZ 4.21Å; Y174-F185 HydrophobicContact CE1-CE2 4.43Å; Y174-F185 HydrophobicContact CE1-CZ 4.48Å; Y174-F185 HydrophobicContact CG-CE2 4.24Å; Y174-F189 HydrophobicContact CD1-CE1 4.05Å; Y174-F189 HydrophobicContact CD1-CZ 4.28Å; Y174-F189 AromaticContact CE1-CE1 3.89Å; Y174-F189 HydrophobicContact CE1-CE1 3.89Å; Y174-F189 HydrophobicContact CE1-CZ 4.2Å |
| 175 | V | 97.1 | Very high | 97.3 | Very high | 70 Ų | 70 | 62.9 Ų | 62.9 | 42% | 0.424 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -19.2 | -175.8 | -66.5 | 0 | 0 | 0 | 0 | 113.7 | W14 P15 E169 D172 G173 S177 | W14-V175 CarbonylContact C-O 3.51Å; P15-V175 WeakPolarHBondContact CD-O 3.03Å; E169-V175 PolarHBondContact OE1-N 3.08Å; D172-V175 HydrophobicContact CB-CG2 4.18Å; D172-V175 WeakPolarHBondContact O-CG1 3.38Å; D172-V175 WeakPolarHBondContact O-CG2 3.27Å; G173-V175 VanDerWaalsContact C-N 3.27Å; G173-V175 PolarHBondContact O-N 3.27Å; V175-S177 VanDerWaalsContact C-N 3.29Å; V175-S177 PolarHBondContact O-N 3.19Å |
| 176 | H | 97.9 | Very high | 97.3 | Very high | 25 Ų | 25 | 69.5 Ų | 69.5 | 12% | 0.116 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | 6.2 | -174.8 | -55.6 | 105.8 | 0 | 0 | 0 | 113.4 | W14 S109 R110 E169 D172 Y174 | W14-H176 WeakPolarHBondContact O-CA 3.23Å; S109-H176 PolarHBondContact N-O 3Å; S109-H176 WeakPolarHBondContact OG-CA 3.47Å; S109-H176 VanDerWaalsContact OG-CB 3.31Å; S109-H176 WeakPolarHBondContact OG-CB 3.38Å; S109-H176 PolarHBondContact OG-CD2 3.16Å; S109-H176 PolarHBondContact OG-O 3.3Å; R110-H176 HydrophobicContact CG-CB 3.85Å; R110-H176 VanDerWaalsContact CG-CG 3.44Å; E169-H176 WeakPolarHBondContact OE1-CB 3.31Å; E169-H176 IonicContact OE1-CG 2.73Å; E169-H176 PolarHBondContact OE1-N 3.37Å; E169-H176 IonicContact OE1-ND1 3.97Å; E169-H176 PolarHBondContact OE1-ND1 3.3Å; E169-H176 IonicContact OE2-CE1 3.74Å; E169-H176 IonicContact OE2-CG 3.68Å; E169-H176 IonicContact OE2-ND1 3.29Å; E169-H176 PolarHBondContact OE2-ND1 3.41Å; D172-H176 IonicContact OD2-CE1 3.6Å; Y174-H176 VanDerWaalsContact C-N 3.26Å; Y174-H176 PolarHBondContact O-N 2.8Å |
| 177 | S | 96.1 | Very high | 97.3 | Very high | 5 Ų | 5 | 70.9 Ų | 70.9 | 4% | 0.035 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -137 | 162 | 177.6 | -161.9 | 0 | 0 | 0 | 0 | 111.5 | G107 V175 F179 | G107-S177 WeakPolarHBondContact O-CB 3.29Å; G107-S177 PolarHBondContact O-OG 2.52Å; V175-S177 VanDerWaalsContact C-N 3.29Å; V175-S177 PolarHBondContact O-N 3.19Å; S177-F179 PolarHBondContact O-N 3.05Å |
| 178 | E | 96.7 | Very high | 97.2 | Very high | 66 Ų | 66 | 64.9 Ų | 64.9 | 31% | 0.308 | 32% | 0.323 | S | S | . | . | trans | -74.5 | 93.7 | 166.2 | -164.5 | 164.6 | 144.3 | 0 | 0 | 109.5 | W14 R16 G180 H181 F185 | W14-E178 HydrophobicContact CG-CB 4.42Å; W14-E178 HydrophobicContact CZ2-CG 3.94Å; W14-E178 PolarHBondContact NE1-OE2 2.9Å; R16-E178 IonicContact NH2-OE2 3.29Å; R16-E178 PolarHBondContact NH2-OE2 3.37Å; E178-G180 PolarHBondContact O-N 3.43Å; E178-G180 VanDerWaalsContact O-N 3.16Å; E178-H181 HydrophobicContact CB-CB 3.77Å; E178-H181 HydrophobicContact CG-CB 4Å; E178-H181 VanDerWaalsContact O-CB 3.24Å; E178-H181 WeakPolarHBondContact O-CB 3.26Å; E178-H181 PolarHBondContact O-N 3.15Å; E178-H181 IonicContact OE1-CD2 3.34Å; E178-F185 WeakPolarHBondContact O-CB 3.39Å | ||
| 179 | F | 95 | Very high | 97.2 | Very high | 140 Ų | 140 | 63.2 Ų | 63.2 | 61% | 0.614 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | 124 | -173.9 | -168.6 | -98.8 | 0 | 0 | 0 | 112.2 | Y174 S177 F185 | Y174-F179 HydrophobicContact CD2-CD2 4.01Å; Y174-F179 AromaticContact CD2-CE2 3.51Å; Y174-F179 HydrophobicContact CD2-CE2 3.51Å; Y174-F179 HydrophobicContact CE2-CE2 4.09Å; Y174-F179 AromaticContact CG-CD2 3.86Å; Y174-F179 HydrophobicContact CG-CD2 3.86Å; Y174-F179 AromaticContact CG-CE2 3.75Å; Y174-F179 HydrophobicContact CG-CE2 3.75Å; S177-F179 PolarHBondContact O-N 3.05Å; F179-F185 HydrophobicContact CD2-CD2 4.43Å; F179-F185 HydrophobicContact CD2-CE1 4.22Å; F179-F185 AromaticContact CD2-CE2 3.76Å; F179-F185 HydrophobicContact CD2-CE2 3.76Å; F179-F185 AromaticContact CD2-CZ 3.64Å; F179-F185 HydrophobicContact CD2-CZ 3.64Å; F179-F185 HydrophobicContact CE2-CE1 4.06Å; F179-F185 HydrophobicContact CE2-CE2 4.03Å; F179-F185 AromaticContact CE2-CZ 3.47Å; F179-F185 HydrophobicContact CE2-CZ 3.47Å; F179-F185 VanDerWaalsContact CE2-CZ 3.47Å; F179-F185 HydrophobicContact CZ-CZ 4.34Å |
| 180 | G | 96.2 | Very high | 97.3 | Very high | 35 Ų | 35 | 65 Ų | 65 | 36% | 0.361 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84 | -4.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116 | E178 | E178-G180 PolarHBondContact O-N 3.43Å; E178-G180 VanDerWaalsContact O-N 3.16Å |
| 181 | H | 97.9 | Very high | 97.3 | Very high | 44 Ų | 44 | 64.9 Ų | 64.9 | 20% | 0.204 | 32% | 0.322 | C | S | . | . | trans | -61.6 | 128.2 | 178 | -174.2 | -71.4 | 0 | 0 | 0 | 111.4 | E178 I183 Y184 F185 W186 | E178-H181 HydrophobicContact CB-CB 3.77Å; E178-H181 HydrophobicContact CG-CB 4Å; E178-H181 VanDerWaalsContact O-CB 3.24Å; E178-H181 WeakPolarHBondContact O-CB 3.26Å; E178-H181 PolarHBondContact O-N 3.15Å; E178-H181 IonicContact OE1-CD2 3.34Å; H181-I183 PolarHBondContact ND1-N 2.91Å; H181-I183 VanDerWaalsContact ND1-N 3.19Å; H181-I183 PolarHBondContact O-N 3.1Å; H181-Y184 AromaticContact CE1-CD2 3.44Å; H181-Y184 VanDerWaalsContact CE1-CD2 3.44Å; H181-Y184 WeakPolarHBondContact CE1-CD2 3.41Å; H181-Y184 AromaticContact CE1-CE2 3.96Å; H181-Y184 AromaticContact ND1-CD2 3.65Å; H181-Y184 PolarHBondContact ND1-N 2.92Å; H181-Y184 VanDerWaalsContact ND1-N 3.14Å; H181-Y184 AromaticContact NE2-CD2 3.82Å; H181-F185 HydrophobicContact CB-CB 4.38Å; H181-F185 WeakPolarHBondContact O-CA 3.35Å; H181-F185 VanDerWaalsContact O-CB 3.31Å; H181-F185 WeakPolarHBondContact O-CB 3.43Å; H181-F185 PolarHBondContact O-N 2.66Å; H181-W186 PolarHBondContact O-N 2.79Å | ||
| 182 | P | 97.9 | Very high | 97.2 | Very high | 90 Ų | 90 | 56 Ų | 56 | 58% | 0.584 | 29% | 0.29 | S | S | * | . | I | π-helix | trans | -62.3 | -38.3 | -169.5 | 22.4 | -33.7 | 0 | 0 | 0 | 113.9 | W186 F187 | P182-W186 WeakPolarHBondContact O-CB 3.31Å; P182-F187 PolarHBondContact O-N 2.95Å |
| 183 | I | 97.1 | Very high | 97.3 | Very high | 71 Ų | 71 | 53.4 Ų | 53.4 | 36% | 0.364 | 28% | 0.276 | S | S | . | . | I | π-helix | trans | -85.8 | -62.6 | -179.9 | -56.8 | 174.3 | 0 | 0 | 0 | 110.5 | M30 H181 F187 Y188 | M30-I183 HydrophobicContact CE-CG2 3.88Å; H181-I183 PolarHBondContact ND1-N 2.91Å; H181-I183 VanDerWaalsContact ND1-N 3.19Å; H181-I183 PolarHBondContact O-N 3.1Å; I183-F187 CarbonylContact O-C 3.21Å; I183-F187 WeakPolarHBondContact O-CA 3.35Å; I183-F187 VanDerWaalsContact O-CB 3.26Å; I183-F187 WeakPolarHBondContact O-CB 3.39Å; I183-F187 PolarHBondContact O-N 2.92Å; I183-F187 VanDerWaalsContact O-N 3.12Å; I183-Y188 HydrophobicContact CG2-CD1 4.49Å; I183-Y188 HydrophobicContact CG2-CE1 4.14Å; I183-Y188 PolarHBondContact O-N 3.21Å |
| 184 | Y | 97.8 | Very high | 97.3 | Very high | 43 Ų | 43 | 56.3 Ų | 56.3 | 17% | 0.169 | 28% | 0.275 | C | S | . | . | I | π-helix | trans | -68.4 | -42.5 | -173.2 | -64.5 | -47.3 | 0 | 0 | 0 | 115.1 | E103 K106 G107 H181 Y188 F189 | E103-Y184 WeakPolarHBondContact OE1-CE1 3.44Å; E103-Y184 PolarHBondContact OE1-OH 3.1Å; K106-Y184 HydrophobicContact CB-CD1 3.61Å; K106-Y184 HydrophobicContact CB-CD2 4.33Å; K106-Y184 HydrophobicContact CB-CE1 3.54Å; K106-Y184 HydrophobicContact CB-CE2 4.25Å; K106-Y184 HydrophobicContact CB-CG 4.04Å; K106-Y184 HydrophobicContact CD-CE1 3.79Å; K106-Y184 HydrophobicContact CD-CE2 4.31Å; K106-Y184 VanDerWaalsContact CD-OH 3.31Å; K106-Y184 WeakPolarHBondContact CD-OH 3.3Å; K106-Y184 HydrophobicContact CG-CE1 4.33Å; G107-Y184 VanDerWaalsContact CA-O 3.29Å; G107-Y184 WeakPolarHBondContact CA-O 3.46Å; H181-Y184 AromaticContact CE1-CD2 3.44Å; H181-Y184 VanDerWaalsContact CE1-CD2 3.44Å; H181-Y184 WeakPolarHBondContact CE1-CD2 3.41Å; H181-Y184 AromaticContact CE1-CE2 3.96Å; H181-Y184 AromaticContact ND1-CD2 3.65Å; H181-Y184 PolarHBondContact ND1-N 2.92Å; H181-Y184 VanDerWaalsContact ND1-N 3.14Å; H181-Y184 AromaticContact NE2-CD2 3.82Å; Y184-Y188 AromaticContact CD1-CD2 3.94Å; Y184-Y188 HydrophobicContact CD1-CD2 3.94Å; Y184-Y188 AromaticContact CD1-CE2 3.95Å; Y184-Y188 HydrophobicContact CD1-CE2 3.95Å; Y184-Y188 HydrophobicContact CE1-CD2 4.4Å; Y184-Y188 AromaticContact CE1-CE2 3.94Å; Y184-Y188 HydrophobicContact CE1-CE2 3.94Å; Y184-Y188 WeakPolarHBondContact O-CB 3.25Å; Y184-F189 PolarHBondContact O-N 3.23Å |
| 185 | F | 98.1 | Very high | 97.4 | Very high | 7 Ų | 7 | 55.9 Ų | 55.9 | 3% | 0.031 | 28% | 0.276 | C | S | . | . | I | π-helix | trans | -85 | -57.9 | 178.4 | -176.3 | -103.5 | 0 | 0 | 0 | 111.4 | Y174 E178 F179 H181 F189 V190 | Y174-F185 AromaticContact CD1-CE2 3.83Å; Y174-F185 HydrophobicContact CD1-CE2 3.83Å; Y174-F185 HydrophobicContact CD1-CZ 4.21Å; Y174-F185 HydrophobicContact CE1-CE2 4.43Å; Y174-F185 HydrophobicContact CE1-CZ 4.48Å; Y174-F185 HydrophobicContact CG-CE2 4.24Å; E178-F185 WeakPolarHBondContact O-CB 3.39Å; F179-F185 HydrophobicContact CD2-CD2 4.43Å; F179-F185 HydrophobicContact CD2-CE1 4.22Å; F179-F185 AromaticContact CD2-CE2 3.76Å; F179-F185 HydrophobicContact CD2-CE2 3.76Å; F179-F185 AromaticContact CD2-CZ 3.64Å; F179-F185 HydrophobicContact CD2-CZ 3.64Å; F179-F185 HydrophobicContact CE2-CE1 4.06Å; F179-F185 HydrophobicContact CE2-CE2 4.03Å; F179-F185 AromaticContact CE2-CZ 3.47Å; F179-F185 HydrophobicContact CE2-CZ 3.47Å; F179-F185 VanDerWaalsContact CE2-CZ 3.47Å; F179-F185 HydrophobicContact CZ-CZ 4.34Å; H181-F185 HydrophobicContact CB-CB 4.38Å; H181-F185 WeakPolarHBondContact O-CA 3.35Å; H181-F185 VanDerWaalsContact O-CB 3.31Å; H181-F185 WeakPolarHBondContact O-CB 3.43Å; H181-F185 PolarHBondContact O-N 2.66Å; F185-F189 HydrophobicContact CD2-CD1 4.04Å; F185-F189 AromaticContact CE2-CD1 3.81Å; F185-F189 HydrophobicContact CE2-CD1 3.81Å; F185-F189 HydrophobicContact CE2-CE1 4.12Å; F185-F189 HydrophobicContact CZ-CD1 4.48Å; F185-F189 VanDerWaalsContact O-CB 3.29Å; F185-F189 WeakPolarHBondContact O-CB 3.48Å; F185-F189 PolarHBondContact O-N 3.13Å; F185-V190 HydrophobicContact CD1-CG2 4.5Å; F185-V190 HydrophobicContact CE1-CG2 4.21Å; F185-V190 HydrophobicContact CZ-CG2 4.36Å; F185-V190 PolarHBondContact O-N 3.2Å |
| 186 | W | 98.3 | Very high | 97.4 | Very high | 141 Ų | 141 | 54.3 Ų | 54.3 | 53% | 0.534 | 26% | 0.263 | S | S | . | . | I | π-helix | trans | -73.7 | -42.3 | -173.1 | -73.3 | 112.9 | 0 | 0 | 0 | 114 | H181 P182 V190 F191 | H181-W186 PolarHBondContact O-N 2.79Å; P182-W186 WeakPolarHBondContact O-CB 3.31Å; W186-V190 HydrophobicContact CE3-CB 4.05Å; W186-V190 HydrophobicContact CE3-CG1 4.17Å; W186-V190 HydrophobicContact CE3-CG2 3.85Å; W186-V190 HydrophobicContact CZ3-CB 4.5Å; W186-V190 HydrophobicContact CZ3-CG1 4.25Å; W186-V190 HydrophobicContact CZ3-CG2 4.1Å; W186-V190 WeakPolarHBondContact O-CB 3.45Å; W186-F191 WeakPolarHBondContact O-CB 3.35Å; W186-F191 PolarHBondContact O-N 3.12Å |
| 187 | F | 97.4 | Very high | 97.4 | Very high | 66 Ų | 66 | 54.8 Ų | 54.8 | 29% | 0.289 | 27% | 0.266 | S | S | . | . | I | π-helix | trans | -83.3 | -55.4 | -178.4 | 179.5 | -112.6 | 0 | 0 | 0 | 112.4 | F38 P182 I183 F191 M192 | F38-F187 HydrophobicContact CZ-CZ 4.49Å; P182-F187 PolarHBondContact O-N 2.95Å; I183-F187 CarbonylContact O-C 3.21Å; I183-F187 WeakPolarHBondContact O-CA 3.35Å; I183-F187 VanDerWaalsContact O-CB 3.26Å; I183-F187 WeakPolarHBondContact O-CB 3.39Å; I183-F187 PolarHBondContact O-N 2.92Å; I183-F187 VanDerWaalsContact O-N 3.12Å; F187-F191 HydrophobicContact CD2-CB 4.36Å; F187-F191 AromaticContact CD2-CD1 3.56Å; F187-F191 HydrophobicContact CD2-CD1 3.56Å; F187-F191 HydrophobicContact CD2-CE1 4.23Å; F187-F191 HydrophobicContact CD2-CG 4.23Å; F187-F191 AromaticContact CE2-CD1 3.49Å; F187-F191 HydrophobicContact CE2-CD1 3.49Å; F187-F191 VanDerWaalsContact CE2-CD1 3.49Å; F187-F191 AromaticContact CE2-CE1 3.74Å; F187-F191 HydrophobicContact CE2-CE1 3.74Å; F187-F191 WeakPolarHBondContact O-CB 3.33Å; F187-F191 PolarHBondContact O-N 3.19Å; F187-M192 HydrophobicContact CE2-SD 4.37Å; F187-M192 HydrophobicContact CZ-SD 4.14Å; F187-M192 WeakPolarHBondContact O-CG 3.36Å; F187-M192 PolarHBondContact O-N 3.33Å |
| 188 | Y | 97.3 | Very high | 97.5 | Very high | 8 Ų | 8 | 56.2 Ų | 56.2 | 3% | 0.031 | 28% | 0.278 | C | S | . | . | I | π-helix | trans | -71.6 | -57.3 | -177.8 | -74.6 | 15.5 | 0 | 0 | 0 | 111.8 | M30 E103 Y104 I183 Y184 M192 N193 | M30-Y188 WeakPolarHBondContact CE-OH 3.24Å; E103-Y188 HydrophobicContact CG-CE2 4.09Å; E103-Y188 PolarHBondContact OE1-OH 3.02Å; Y104-Y188 HydrophobicContact CD2-CD2 4.19Å; I183-Y188 HydrophobicContact CG2-CD1 4.49Å; I183-Y188 HydrophobicContact CG2-CE1 4.14Å; I183-Y188 PolarHBondContact O-N 3.21Å; Y184-Y188 AromaticContact CD1-CD2 3.94Å; Y184-Y188 HydrophobicContact CD1-CD2 3.94Å; Y184-Y188 AromaticContact CD1-CE2 3.95Å; Y184-Y188 HydrophobicContact CD1-CE2 3.95Å; Y184-Y188 HydrophobicContact CE1-CD2 4.4Å; Y184-Y188 AromaticContact CE1-CE2 3.94Å; Y184-Y188 HydrophobicContact CE1-CE2 3.94Å; Y184-Y188 WeakPolarHBondContact O-CB 3.25Å; Y188-M192 WeakPolarHBondContact O-CB 3.09Å; Y188-N193 PolarHBondContact O-ND2 3.07Å |
| 189 | F | 98.1 | Very high | 97.6 | Very high | 3 Ų | 3 | 55.7 Ų | 55.7 | 1% | 0.013 | 28% | 0.277 | C | S | . | . | I | π-helix | trans | -72.7 | -50.1 | -174.3 | 176.5 | -94.5 | 0 | 0 | 0 | 112.4 | D108 Y165 F166 E169 Y174 Y184 F185 N193 | D108-F189 HydrophobicContact CB-CD2 4.22Å; Y165-F189 HydrophobicContact CD1-CE2 4.42Å; Y165-F189 AromaticContact CE1-CD2 3.84Å; Y165-F189 HydrophobicContact CE1-CD2 3.84Å; Y165-F189 AromaticContact CE1-CE2 3.52Å; Y165-F189 HydrophobicContact CE1-CE2 3.52Å; Y165-F189 HydrophobicContact CE1-CZ 4.26Å; Y165-F189 AromaticContact CZ-CD2 3.83Å; Y165-F189 AromaticContact CZ-CE2 3.66Å; Y165-F189 WeakPolarHBondContact OH-CD2 3.49Å; Y165-F189 WeakPolarHBondContact OH-CE2 3.38Å; F166-F189 AromaticContact CD1-CE1 3.66Å; F166-F189 HydrophobicContact CD1-CE1 3.66Å; F166-F189 AromaticContact CD1-CZ 3.65Å; F166-F189 HydrophobicContact CD1-CZ 3.65Å; F166-F189 HydrophobicContact CE1-CD1 4.08Å; F166-F189 AromaticContact CE1-CE1 3.62Å; F166-F189 HydrophobicContact CE1-CE1 3.62Å; F166-F189 AromaticContact CE1-CZ 3.92Å; F166-F189 HydrophobicContact CE1-CZ 3.92Å; E169-F189 HydrophobicContact CB-CE2 4.01Å; E169-F189 HydrophobicContact CB-CZ 3.75Å; E169-F189 HydrophobicContact CG-CE2 3.79Å; E169-F189 HydrophobicContact CG-CZ 3.63Å; Y174-F189 HydrophobicContact CD1-CE1 4.05Å; Y174-F189 HydrophobicContact CD1-CZ 4.28Å; Y174-F189 AromaticContact CE1-CE1 3.89Å; Y174-F189 HydrophobicContact CE1-CE1 3.89Å; Y174-F189 HydrophobicContact CE1-CZ 4.2Å; Y184-F189 PolarHBondContact O-N 3.23Å; F185-F189 HydrophobicContact CD2-CD1 4.04Å; F185-F189 AromaticContact CE2-CD1 3.81Å; F185-F189 HydrophobicContact CE2-CD1 3.81Å; F185-F189 HydrophobicContact CE2-CE1 4.12Å; F185-F189 HydrophobicContact CZ-CD1 4.48Å; F185-F189 VanDerWaalsContact O-CB 3.29Å; F185-F189 WeakPolarHBondContact O-CB 3.48Å; F185-F189 PolarHBondContact O-N 3.13Å; F189-N193 WeakPolarHBondContact O-CB 3.27Å; F189-N193 PolarHBondContact O-ND2 3.22Å |
| 190 | V | 98.1 | Very high | 97.8 | Very high | 39 Ų | 39 | 49 Ų | 49 | 24% | 0.236 | 25% | 0.247 | C | C | . | . | I | π-helix | trans | -82.5 | -63.1 | -176.3 | -178.4 | 0 | 0 | 0 | 0 | 112.7 | F185 W186 F194 | F185-V190 HydrophobicContact CD1-CG2 4.5Å; F185-V190 HydrophobicContact CE1-CG2 4.21Å; F185-V190 HydrophobicContact CZ-CG2 4.36Å; F185-V190 PolarHBondContact O-N 3.2Å; W186-V190 HydrophobicContact CE3-CB 4.05Å; W186-V190 HydrophobicContact CE3-CG1 4.17Å; W186-V190 HydrophobicContact CE3-CG2 3.85Å; W186-V190 HydrophobicContact CZ3-CB 4.5Å; W186-V190 HydrophobicContact CZ3-CG1 4.25Å; W186-V190 HydrophobicContact CZ3-CG2 4.1Å; W186-V190 WeakPolarHBondContact O-CB 3.45Å; V190-F194 WeakPolarHBondContact O-CB 3.43Å; V190-F194 PolarHBondContact O-N 3.43Å |
| 191 | F | 98.2 | Very high | 97.9 | Very high | 103 Ų | 103 | 51.7 Ų | 51.7 | 45% | 0.452 | 25% | 0.253 | S | S | . | . | I | π-helix | trans | -65 | -49.2 | -167.9 | 169.6 | -98.3 | 0 | 0 | 0 | 113 | W186 F187 F194 L195 | W186-F191 WeakPolarHBondContact O-CB 3.35Å; W186-F191 PolarHBondContact O-N 3.12Å; F187-F191 HydrophobicContact CD2-CB 4.36Å; F187-F191 AromaticContact CD2-CD1 3.56Å; F187-F191 HydrophobicContact CD2-CD1 3.56Å; F187-F191 HydrophobicContact CD2-CE1 4.23Å; F187-F191 HydrophobicContact CD2-CG 4.23Å; F187-F191 AromaticContact CE2-CD1 3.49Å; F187-F191 HydrophobicContact CE2-CD1 3.49Å; F187-F191 VanDerWaalsContact CE2-CD1 3.49Å; F187-F191 AromaticContact CE2-CE1 3.74Å; F187-F191 HydrophobicContact CE2-CE1 3.74Å; F187-F191 WeakPolarHBondContact O-CB 3.33Å; F187-F191 PolarHBondContact O-N 3.19Å; F191-F194 PolarHBondContact O-N 2.68Å; F191-L195 HydrophobicContact CE1-CD1 4.37Å; F191-L195 HydrophobicContact CZ-CD2 4.41Å; F191-L195 PolarHBondContact O-N 3.24Å |
| 192 | M | 96.4 | Very high | 97.9 | Very high | 36 Ų | 36 | 54.3 Ų | 54.3 | 18% | 0.177 | 27% | 0.272 | C | S | . | . | I | π-helix | trans | -60.2 | -51.7 | -178.8 | -67.8 | -66.6 | -69.6 | 0 | 0 | 110.4 | F187 Y188 F194 L195 W196 | F187-M192 HydrophobicContact CE2-SD 4.37Å; F187-M192 HydrophobicContact CZ-SD 4.14Å; F187-M192 WeakPolarHBondContact O-CG 3.36Å; F187-M192 PolarHBondContact O-N 3.33Å; Y188-M192 WeakPolarHBondContact O-CB 3.09Å; M192-F194 VanDerWaalsContact C-N 3.31Å; M192-F194 PolarHBondContact O-N 3.45Å; M192-L195 VanDerWaalsContact O-CB 3.28Å; M192-L195 WeakPolarHBondContact O-CB 3.44Å; M192-L195 PolarHBondContact O-N 3.05Å; M192-L195 VanDerWaalsContact O-N 3.1Å; M192-W196 VanDerWaalsContact O-CZ3 3.25Å; M192-W196 WeakPolarHBondContact O-CZ3 3.42Å |
| 193 | N | 97.9 | Very high | 98 | Very high | 20 Ų | 20 | 50.6 Ų | 50.6 | 11% | 0.107 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.5 | -30 | 179.8 | -66.7 | -70.5 | 0 | 0 | 0 | 113.4 | Y104 Y165 F166 Y188 F189 L195 W196 | Y104-N193 PolarHBondContact OH-ND2 3.49Å; Y104-N193 PolarHBondContact OH-OD1 3.01Å; Y165-N193 HydrophobicContact CD1-CB 4.37Å; Y165-N193 HydrophobicContact CE1-CB 4.15Å; Y165-N193 WeakPolarHBondContact CE1-ND2 3.45Å; F166-N193 HydrophobicContact CE1-CB 4.47Å; F166-N193 HydrophobicContact CE2-CB 3.76Å; F166-N193 HydrophobicContact CZ-CB 3.54Å; Y188-N193 PolarHBondContact O-ND2 3.07Å; F189-N193 WeakPolarHBondContact O-CB 3.27Å; F189-N193 PolarHBondContact O-ND2 3.22Å; N193-L195 PolarHBondContact O-N 2.62Å; N193-W196 WeakPolarHBondContact O-CB 3.26Å; N193-W196 PolarHBondContact O-N 2.81Å |
| 194 | F | 97.6 | Very high | 98.1 | Very high | 111 Ų | 111 | 48.5 Ų | 48.5 | 49% | 0.487 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61.8 | -26.8 | 174.5 | -178.3 | -102.5 | 0 | 0 | 0 | 112.8 | V190 F191 M192 W196 I197 A198 | V190-F194 WeakPolarHBondContact O-CB 3.43Å; V190-F194 PolarHBondContact O-N 3.43Å; F191-F194 PolarHBondContact O-N 2.68Å; M192-F194 VanDerWaalsContact C-N 3.31Å; M192-F194 PolarHBondContact O-N 3.45Å; F194-W196 VanDerWaalsContact C-N 3.28Å; F194-W196 PolarHBondContact O-N 2.93Å; F194-I197 HydrophobicContact CD2-CB 4.48Å; F194-I197 WeakPolarHBondContact O-CB 3.47Å; F194-I197 PolarHBondContact O-N 2.92Å; F194-A198 HydrophobicContact CD1-CB 4.35Å; F194-A198 HydrophobicContact CE1-CB 3.88Å; F194-A198 HydrophobicContact CZ-CB 4.16Å; F194-A198 PolarHBondContact O-N 3.36Å |
| 195 | L | 97.6 | Very high | 98.1 | Very high | 51 Ų | 51 | 49.5 Ų | 49.5 | 27% | 0.267 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.6 | -37.4 | 173.3 | -59.4 | 177 | 0 | 0 | 0 | 111.9 | W68 F191 M192 N193 I197 I199 P200 | W68-L195 HydrophobicContact CH2-CB 4.45Å; F191-L195 HydrophobicContact CE1-CD1 4.37Å; F191-L195 HydrophobicContact CZ-CD2 4.41Å; F191-L195 PolarHBondContact O-N 3.24Å; M192-L195 VanDerWaalsContact O-CB 3.28Å; M192-L195 WeakPolarHBondContact O-CB 3.44Å; M192-L195 PolarHBondContact O-N 3.05Å; M192-L195 VanDerWaalsContact O-N 3.1Å; N193-L195 PolarHBondContact O-N 2.62Å; L195-I197 PolarHBondContact O-N 2.9Å; L195-I199 HydrophobicContact CB-CD1 4.33Å; L195-I199 WeakPolarHBondContact O-CB 3.31Å; L195-I199 PolarHBondContact O-N 3.4Å; L195-I199 VanDerWaalsContact O-N 3.07Å; L195-P200 WeakPolarHBondContact O-CD 3.19Å |
| 196 | W | 97.9 | Very high | 98.1 | Very high | 36 Ų | 36 | 51.1 Ų | 51.1 | 14% | 0.136 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -73.5 | -2.1 | 173.8 | -79.1 | -97.2 | 0 | 0 | 0 | 113.8 | W68 I75 H76 A162 M192 N193 F194 P200 | W68-W196 HydrophobicContact CH2-CD2 4.22Å; W68-W196 HydrophobicContact CH2-CG 4.41Å; I75-W196 HydrophobicContact CD1-CH2 3.91Å; I75-W196 HydrophobicContact CD1-CZ2 3.69Å; I75-W196 HydrophobicContact CG2-CZ2 4.23Å; H76-W196 AromaticContact CE1-NE1 3.52Å; H76-W196 AromaticContact NE2-NE1 3.9Å; A162-W196 HydrophobicContact CB-CB 4.15Å; M192-W196 VanDerWaalsContact O-CZ3 3.25Å; M192-W196 WeakPolarHBondContact O-CZ3 3.42Å; N193-W196 WeakPolarHBondContact O-CB 3.26Å; N193-W196 PolarHBondContact O-N 2.81Å; F194-W196 VanDerWaalsContact C-N 3.28Å; F194-W196 PolarHBondContact O-N 2.93Å; W196-P200 WeakPolarHBondContact O-CD 3.3Å; W196-P200 WeakPolarHBondContact O-CG 3.31Å |
| 197 | I | 98.3 | Very high | 98.1 | Very high | 36 Ų | 36 | 44.4 Ų | 44.4 | 19% | 0.185 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -99.1 | -56.3 | 167.3 | -63.8 | 179.2 | 0 | 0 | 0 | 109.6 | L159 A162 F166 F194 L195 L201 | L159-I197 HydrophobicContact CD1-CB 4.16Å; L159-I197 HydrophobicContact CD1-CG1 4.29Å; L159-I197 HydrophobicContact CD1-CG2 3.72Å; A162-I197 HydrophobicContact CB-CD1 4.44Å; A162-I197 HydrophobicContact CB-CG1 3.77Å; F166-I197 HydrophobicContact CD2-CD1 3.74Å; F166-I197 HydrophobicContact CE2-CD1 3.67Å; F194-I197 HydrophobicContact CD2-CB 4.48Å; F194-I197 WeakPolarHBondContact O-CB 3.47Å; F194-I197 PolarHBondContact O-N 2.92Å; L195-I197 PolarHBondContact O-N 2.9Å; I197-L201 VanDerWaalsContact O-CB 3.31Å; I197-L201 WeakPolarHBondContact O-CB 3.48Å; I197-L201 PolarHBondContact O-N 2.93Å; I197-L201 VanDerWaalsContact O-N 3.1Å |
| 198 | A | 98.4 | Very high | 98.2 | Very high | 34 Ų | 34 | 49.3 Ų | 49.3 | 28% | 0.281 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -66.2 | -47.6 | -170.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | F194 L201 V202 | F194-A198 HydrophobicContact CD1-CB 4.35Å; F194-A198 HydrophobicContact CE1-CB 3.88Å; F194-A198 HydrophobicContact CZ-CB 4.16Å; F194-A198 PolarHBondContact O-N 3.36Å; A198-L201 PolarHBondContact O-N 2.89Å; A198-V202 WeakPolarHBondContact O-CG2 3.13Å; A198-V202 PolarHBondContact O-N 3.41Å |
| 199 | I | 98.5 | Very high | 98.3 | Very high | 56 Ų | 56 | 57.1 Ų | 57.1 | 29% | 0.287 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -69.2 | -49.2 | -176.9 | -62.2 | 167 | 0 | 0 | 0 | 110.5 | W68 L195 L201 V202 L203 | W68-I199 HydrophobicContact CD2-CB 4.38Å; W68-I199 HydrophobicContact CD2-CD1 4.18Å; W68-I199 HydrophobicContact CD2-CG2 3.65Å; W68-I199 HydrophobicContact CE3-CD1 3.61Å; W68-I199 HydrophobicContact CE3-CG2 4.21Å; W68-I199 HydrophobicContact CG-CG2 3.85Å; W68-I199 HydrophobicContact CH2-CB 4.41Å; W68-I199 HydrophobicContact CH2-CD1 3.86Å; W68-I199 HydrophobicContact CZ2-CB 4.14Å; W68-I199 HydrophobicContact CZ2-CD1 4.39Å; W68-I199 HydrophobicContact CZ2-CG2 4.15Å; W68-I199 HydrophobicContact CZ3-CD1 3.44Å; W68-I199 VanDerWaalsContact CZ3-CD1 3.44Å; L195-I199 HydrophobicContact CB-CD1 4.33Å; L195-I199 WeakPolarHBondContact O-CB 3.31Å; L195-I199 PolarHBondContact O-N 3.4Å; L195-I199 VanDerWaalsContact O-N 3.07Å; I199-L201 VanDerWaalsContact C-N 3.28Å; I199-L201 PolarHBondContact O-N 3.23Å; I199-V202 PolarHBondContact O-N 2.76Å; I199-V202 VanDerWaalsContact O-N 3.16Å; I199-L203 HydrophobicContact CG2-CD1 3.99Å; I199-L203 HydrophobicContact CG2-CG 4.33Å; I199-L203 WeakPolarHBondContact O-CG 3.34Å; I199-L203 PolarHBondContact O-N 3.4Å |
| 200 | P | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.1 | -36.2 | 176.5 | -31.3 | 43 | 0 | 0 | 0 | 113.7 | W68 S155 Q158 L159 L195 W196 V202 L203 I204 | W68-P200 HydrophobicContact CZ2-CG 4.31Å; S155-P200 VanDerWaalsContact O-CB 3.3Å; S155-P200 WeakPolarHBondContact O-CB 3.47Å; Q158-P200 HydrophobicContact CB-CB 4.35Å; Q158-P200 HydrophobicContact CB-CG 4Å; L159-P200 HydrophobicContact CB-CB 4.39Å; L195-P200 WeakPolarHBondContact O-CD 3.19Å; W196-P200 WeakPolarHBondContact O-CD 3.3Å; W196-P200 WeakPolarHBondContact O-CG 3.31Å; P200-V202 PolarHBondContact O-N 3.36Å; P200-L203 PolarHBondContact O-N 3.29Å; P200-I204 VanDerWaalsContact O-CG1 3.24Å; P200-I204 WeakPolarHBondContact O-CG1 3.2Å; P200-I204 PolarHBondContact O-N 2.88Å |
| 201 | L | 98.6 | Very high | 98.3 | Very high | 90 Ų | 90 | 61.7 Ų | 61.7 | 47% | 0.471 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.5 | -44.5 | 175.6 | -173.4 | 65.7 | 0 | 0 | 0 | 112.2 | L159 I197 A198 I199 L203 I204 V205 | L159-L201 HydrophobicContact CD2-CD1 4.16Å; I197-L201 VanDerWaalsContact O-CB 3.31Å; I197-L201 WeakPolarHBondContact O-CB 3.48Å; I197-L201 PolarHBondContact O-N 2.93Å; I197-L201 VanDerWaalsContact O-N 3.1Å; A198-L201 PolarHBondContact O-N 2.89Å; I199-L201 VanDerWaalsContact C-N 3.28Å; I199-L201 PolarHBondContact O-N 3.23Å; L201-L203 VanDerWaalsContact C-N 3.32Å; L201-L203 PolarHBondContact O-N 2.88Å; L201-I204 PolarHBondContact O-N 3.48Å; L201-V205 WeakPolarHBondContact O-CG2 3.29Å; L201-V205 PolarHBondContact O-N 3Å; L201-V205 VanDerWaalsContact O-N 3.12Å |
| 202 | V | 98.7 | Very high | 98.3 | Very high | 100 Ų | 100 | 59.1 Ų | 59.1 | 61% | 0.606 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -62.1 | -41.8 | 175.4 | 173.8 | 0 | 0 | 0 | 0 | 111 | A198 I199 P200 V205 D206 | A198-V202 WeakPolarHBondContact O-CG2 3.13Å; A198-V202 PolarHBondContact O-N 3.41Å; I199-V202 PolarHBondContact O-N 2.76Å; I199-V202 VanDerWaalsContact O-N 3.16Å; P200-V202 PolarHBondContact O-N 3.36Å; V202-V205 PolarHBondContact O-N 3.32Å; V202-D206 PolarHBondContact O-N 3.3Å |
| 203 | L | 98.8 | Very high | 98.4 | Very high | 11 Ų | 11 | 59.8 Ų | 59.8 | 6% | 0.058 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -67.9 | -33.7 | 178.7 | -65.2 | 177.3 | 0 | 0 | 0 | 112.9 | A65 W68 F69 Q151 S155 I199 P200 L201 A207 | A65-L203 HydrophobicContact CB-CD2 3.62Å; W68-L203 HydrophobicContact CG-CD1 4.47Å; F69-L203 HydrophobicContact CE2-CD1 3.87Å; F69-L203 HydrophobicContact CZ-CD1 3.95Å; Q151-L203 HydrophobicContact CG-CB 4.1Å; Q151-L203 PolarHBondContact NE2-O 3.37Å; S155-L203 WeakPolarHBondContact OG-CB 3Å; I199-L203 HydrophobicContact CG2-CD1 3.99Å; I199-L203 HydrophobicContact CG2-CG 4.33Å; I199-L203 WeakPolarHBondContact O-CG 3.34Å; I199-L203 PolarHBondContact O-N 3.4Å; P200-L203 PolarHBondContact O-N 3.29Å; L201-L203 VanDerWaalsContact C-N 3.32Å; L201-L203 PolarHBondContact O-N 2.88Å; L203-A207 WeakPolarHBondContact O-CB 3.38Å; L203-A207 PolarHBondContact O-N 3.16Å |
| 204 | I | 98.9 | Very high | 98.4 | Very high | 28 Ų | 28 | 61.6 Ų | 61.6 | 14% | 0.144 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.2 | -50.1 | 172.3 | -72.2 | 163.7 | 0 | 0 | 0 | 109.7 | L152 L156 L159 P200 L201 D206 A207 W208 | L152-I204 HydrophobicContact CD1-CB 4.23Å; L152-I204 HydrophobicContact CD1-CG1 4.21Å; L152-I204 HydrophobicContact CD1-CG2 3.82Å; L156-I204 HydrophobicContact CB-CD1 4.32Å; L156-I204 HydrophobicContact CD1-CD1 4.39Å; L159-I204 HydrophobicContact CB-CD1 4.43Å; L159-I204 HydrophobicContact CD2-CD1 3.79Å; P200-I204 VanDerWaalsContact O-CG1 3.24Å; P200-I204 WeakPolarHBondContact O-CG1 3.2Å; P200-I204 PolarHBondContact O-N 2.88Å; L201-I204 PolarHBondContact O-N 3.48Å; I204-D206 VanDerWaalsContact C-N 3.32Å; I204-D206 PolarHBondContact O-N 3.48Å; I204-A207 PolarHBondContact O-N 2.98Å; I204-W208 VanDerWaalsContact O-CB 3.27Å; I204-W208 WeakPolarHBondContact O-CB 3.34Å; I204-W208 PolarHBondContact O-N 2.87Å |
| 205 | V | 98.8 | Very high | 98.4 | Very high | 64 Ų | 64 | 61.1 Ų | 61.1 | 39% | 0.388 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.6 | -41.4 | 179.5 | 175.8 | 0 | 0 | 0 | 0 | 111.3 | L201 V202 R209 | L201-V205 WeakPolarHBondContact O-CG2 3.29Å; L201-V205 PolarHBondContact O-N 3Å; L201-V205 VanDerWaalsContact O-N 3.12Å; V202-V205 PolarHBondContact O-N 3.32Å; V205-R209 VanDerWaalsContact O-CG 3.28Å; V205-R209 WeakPolarHBondContact O-CG 3.13Å; V205-R209 PolarHBondContact O-N 3.11Å; V205-R209 VanDerWaalsContact O-N 3.08Å |
| 206 | D | 98.6 | Very high | 98.4 | Very high | 41 Ų | 41 | 62.1 Ų | 62.1 | 22% | 0.219 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.8 | -49.8 | 175.1 | 172 | 70.7 | 0 | 0 | 0 | 112 | R62 Q151 V202 I204 W208 R209 Q210 | R62-D206 IonicContact CZ-OD2 3.85Å; R62-D206 IonicContact NH1-OD2 3.89Å; R62-D206 PolarHBondContact NH1-OD2 3.01Å; R62-D206 VanDerWaalsContact NH2-CG 3.26Å; R62-D206 IonicContact NH2-OD1 3.41Å; R62-D206 PolarHBondContact NH2-OD1 2.81Å; R62-D206 IonicContact NH2-OD2 2.72Å; R62-D206 PolarHBondContact NH2-OD2 3.24Å; Q151-D206 PolarHBondContact NE2-OD2 3.4Å; V202-D206 PolarHBondContact O-N 3.3Å; I204-D206 VanDerWaalsContact C-N 3.32Å; I204-D206 PolarHBondContact O-N 3.48Å; D206-W208 VanDerWaalsContact C-N 3.34Å; D206-W208 PolarHBondContact O-N 2.92Å; D206-R209 PolarHBondContact O-N 2.95Å; D206-Q210 VanDerWaalsContact O-CG 3.24Å; D206-Q210 WeakPolarHBondContact O-CG 3.29Å; D206-Q210 PolarHBondContact O-N 3.2Å; D206-Q210 VanDerWaalsContact O-N 3.09Å |
| 207 | A | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61.8 | -43.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | F148 Q151 L152 L203 I204 R209 Q210 L211 | F148-A207 HydrophobicContact CD1-CB 4.34Å; Q151-A207 HydrophobicContact CB-CB 4.43Å; Q151-A207 HydrophobicContact CG-CB 4.19Å; L152-A207 HydrophobicContact CB-CB 3.89Å; L152-A207 HydrophobicContact CD1-CB 4.36Å; L203-A207 WeakPolarHBondContact O-CB 3.38Å; L203-A207 PolarHBondContact O-N 3.16Å; I204-A207 PolarHBondContact O-N 2.98Å; A207-R209 PolarHBondContact O-N 3.45Å; A207-Q210 PolarHBondContact O-N 3.19Å; A207-L211 WeakPolarHBondContact O-CB 3.5Å; A207-L211 VanDerWaalsContact O-CG 3.23Å; A207-L211 WeakPolarHBondContact O-CG 3.48Å; A207-L211 PolarHBondContact O-N 3.14Å |
| 208 | W | 98.7 | Very high | 98.2 | Very high | 168 Ų | 168 | 67.2 Ų | 67.2 | 64% | 0.636 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -54 | -53 | 175.2 | 178.9 | -82.8 | 0 | 0 | 0 | 111.2 | I204 D206 Q210 L211 S212 | I204-W208 VanDerWaalsContact O-CB 3.27Å; I204-W208 WeakPolarHBondContact O-CB 3.34Å; I204-W208 PolarHBondContact O-N 2.87Å; D206-W208 VanDerWaalsContact C-N 3.34Å; D206-W208 PolarHBondContact O-N 2.92Å; W208-Q210 VanDerWaalsContact C-N 3.32Å; W208-Q210 PolarHBondContact O-N 3.22Å; W208-L211 PolarHBondContact O-N 3.38Å; W208-S212 WeakPolarHBondContact O-CB 3.5Å; W208-S212 PolarHBondContact O-N 3.25Å; W208-S212 PolarHBondContact O-OG 3.08Å |
| 209 | R | 98.5 | Very high | 98 | Very high | 172 Ų | 172 | 69 Ų | 69 | 65% | 0.649 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -57.8 | -44.1 | 179.9 | -73.9 | 172.7 | 178.6 | -179.4 | 1 | 112.3 | V205 D206 A207 A213 | V205-R209 VanDerWaalsContact O-CG 3.28Å; V205-R209 WeakPolarHBondContact O-CG 3.13Å; V205-R209 PolarHBondContact O-N 3.11Å; V205-R209 VanDerWaalsContact O-N 3.08Å; D206-R209 PolarHBondContact O-N 2.95Å; A207-R209 PolarHBondContact O-N 3.45Å; R209-A213 VanDerWaalsContact O-CB 3.29Å; R209-A213 WeakPolarHBondContact O-CB 3.4Å; R209-A213 PolarHBondContact O-N 3.33Å |
| 210 | Q | 98.3 | Very high | 97.8 | Very high | 86 Ų | 86 | 69.6 Ų | 69.6 | 40% | 0.402 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -68.6 | -42.6 | -177.9 | -65.3 | -73.1 | -17.9 | 0 | 0 | 111.8 | F148 D206 A207 W208 A214 | F148-Q210 HydrophobicContact CD1-CB 3.84Å; F148-Q210 HydrophobicContact CD1-CG 4.09Å; F148-Q210 HydrophobicContact CD2-CB 4.02Å; F148-Q210 HydrophobicContact CE1-CB 3.73Å; F148-Q210 HydrophobicContact CE1-CG 3.49Å; F148-Q210 VanDerWaalsContact CE1-CG 3.49Å; F148-Q210 HydrophobicContact CE2-CB 3.95Å; F148-Q210 HydrophobicContact CE2-CG 4.17Å; F148-Q210 HydrophobicContact CG-CB 3.96Å; F148-Q210 HydrophobicContact CZ-CB 3.81Å; F148-Q210 HydrophobicContact CZ-CG 3.56Å; D206-Q210 VanDerWaalsContact O-CG 3.24Å; D206-Q210 WeakPolarHBondContact O-CG 3.29Å; D206-Q210 PolarHBondContact O-N 3.2Å; D206-Q210 VanDerWaalsContact O-N 3.09Å; A207-Q210 PolarHBondContact O-N 3.19Å; W208-Q210 VanDerWaalsContact C-N 3.32Å; W208-Q210 PolarHBondContact O-N 3.22Å; Q210-A214 WeakPolarHBondContact O-CB 3.49Å; Q210-A214 PolarHBondContact O-N 2.84Å |
| 211 | L | 98.5 | Very high | 97.3 | Very high | 53 Ų | 53 | 72.3 Ų | 72.3 | 28% | 0.277 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -66.7 | -45 | 176.9 | -68.3 | 170.3 | 0 | 0 | 0 | 111.5 | F148 V149 L152 A207 W208 A213 A214 Q215 | F148-L211 HydrophobicContact CB-CD1 4.39Å; F148-L211 HydrophobicContact CB-CD2 3.83Å; F148-L211 HydrophobicContact CB-CG 3.91Å; V149-L211 HydrophobicContact CG2-CD1 4.45Å; V149-L211 HydrophobicContact CG2-CD2 3.89Å; L152-L211 HydrophobicContact CD2-CD1 3.99Å; A207-L211 WeakPolarHBondContact O-CB 3.5Å; A207-L211 VanDerWaalsContact O-CG 3.23Å; A207-L211 WeakPolarHBondContact O-CG 3.48Å; A207-L211 PolarHBondContact O-N 3.14Å; W208-L211 PolarHBondContact O-N 3.38Å; L211-A213 PolarHBondContact O-N 3.43Å; L211-A214 PolarHBondContact O-N 3.34Å; L211-Q215 PolarHBondContact O-N 3.03Å |
| 212 | S | 98.5 | Very high | 96.5 | Very high | 49 Ų | 49 | 74 Ų | 74 | 34% | 0.343 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -62.7 | -40.1 | 176.7 | -60.3 | 0 | 0 | 0 | 0 | 112.5 | W208 Q215 S216 | W208-S212 WeakPolarHBondContact O-CB 3.5Å; W208-S212 PolarHBondContact O-N 3.25Å; W208-S212 PolarHBondContact O-OG 3.08Å; S212-Q215 PolarHBondContact O-N 3.02Å; S212-S216 WeakPolarHBondContact O-CB 3.13Å; S212-S216 PolarHBondContact O-N 3.2Å; S212-S216 PolarHBondContact O-OG 3.46Å |
| 213 | A | 98.2 | Very high | 95.4 | Very high | 49 Ų | 49 | 73 Ų | 73 | 41% | 0.405 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -63.7 | -44.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | R209 L211 Q215 S216 L217 | R209-A213 VanDerWaalsContact O-CB 3.29Å; R209-A213 WeakPolarHBondContact O-CB 3.4Å; R209-A213 PolarHBondContact O-N 3.33Å; L211-A213 PolarHBondContact O-N 3.43Å; A213-Q215 VanDerWaalsContact C-N 3.33Å; A213-Q215 PolarHBondContact O-N 2.83Å; A213-S216 PolarHBondContact O-N 2.95Å; A213-L217 WeakPolarHBondContact O-CG 3.41Å; A213-L217 PolarHBondContact O-N 3.02Å; A213-L217 VanDerWaalsContact O-N 3.08Å |
| 214 | A | 97.4 | Very high | 94.2 | Very high | 59 Ų | 59 | 78.7 Ų | 78.7 | 49% | 0.488 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -60.8 | -41.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q210 L211 L217 S218 | Q210-A214 WeakPolarHBondContact O-CB 3.49Å; Q210-A214 PolarHBondContact O-N 2.84Å; L211-A214 PolarHBondContact O-N 3.34Å; A214-L217 PolarHBondContact O-N 3.24Å; A214-S218 PolarHBondContact O-N 3.42Å; A214-S218 VanDerWaalsContact O-N 3.09Å |
| 215 | Q | 97.9 | Very high | 92.7 | Very high | 101 Ų | 101 | 84.5 Ų | 84.5 | 47% | 0.472 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -64.4 | -45.9 | 177 | -174.5 | 56 | 47.6 | 0 | 0 | 111.7 | L211 S212 A213 L217 S218 D219 | L211-Q215 PolarHBondContact O-N 3.03Å; S212-Q215 PolarHBondContact O-N 3.02Å; A213-Q215 VanDerWaalsContact C-N 3.33Å; A213-Q215 PolarHBondContact O-N 2.83Å; Q215-L217 VanDerWaalsContact C-N 3.29Å; Q215-L217 PolarHBondContact O-N 2.9Å; Q215-S218 VanDerWaalsContact O-CB 3.32Å; Q215-S218 WeakPolarHBondContact O-CB 3.17Å; Q215-S218 PolarHBondContact O-N 3.28Å; Q215-S218 VanDerWaalsContact O-N 3.07Å; Q215-D219 VanDerWaalsContact NE2-CG 3.26Å; Q215-D219 PolarHBondContact NE2-OD1 3.07Å; Q215-D219 PolarHBondContact NE2-OD2 3.36Å; Q215-D219 PolarHBondContact O-N 2.85Å |
| 216 | S | 97.4 | Very high | 91.3 | Very high | 71 Ų | 71 | 86.4 Ų | 86.4 | 50% | 0.497 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -59.3 | -39.2 | 178.6 | -57.1 | 0 | 0 | 0 | 0 | 112.7 | S212 A213 S220 | S212-S216 WeakPolarHBondContact O-CB 3.13Å; S212-S216 PolarHBondContact O-N 3.2Å; S212-S216 PolarHBondContact O-OG 3.46Å; A213-S216 PolarHBondContact O-N 2.95Å; S216-S220 WeakPolarHBondContact O-CB 3.49Å; S216-S220 PolarHBondContact O-N 3.08Å; S216-S220 VanDerWaalsContact O-N 3.09Å; S216-S220 PolarHBondContact O-OG 3.39Å |
| 217 | L | 96.6 | Very high | 89.6 | Confident | 128 Ų | 128 | 92.8 Ų | 92.8 | 67% | 0.67 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -66.4 | -41.5 | 174.8 | -71.6 | 171 | 0 | 0 | 0 | 112.1 | A213 A214 Q215 S220 S221 | A213-L217 WeakPolarHBondContact O-CG 3.41Å; A213-L217 PolarHBondContact O-N 3.02Å; A213-L217 VanDerWaalsContact O-N 3.08Å; A214-L217 PolarHBondContact O-N 3.24Å; Q215-L217 VanDerWaalsContact C-N 3.29Å; Q215-L217 PolarHBondContact O-N 2.9Å; L217-S220 PolarHBondContact O-N 2.52Å; L217-S221 WeakPolarHBondContact O-CB 3.45Å; L217-S221 PolarHBondContact O-N 3.1Å |
| 218 | S | 95.4 | Very high | 87.7 | Confident | 52 Ų | 52 | 103.6 Ų | 103.6 | 36% | 0.364 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.5 | -46.2 | 176.9 | -172.5 | 0 | 0 | 0 | 0 | 111.5 | A214 Q215 S221 K222 | A214-S218 PolarHBondContact O-N 3.42Å; A214-S218 VanDerWaalsContact O-N 3.09Å; Q215-S218 VanDerWaalsContact O-CB 3.32Å; Q215-S218 WeakPolarHBondContact O-CB 3.17Å; Q215-S218 PolarHBondContact O-N 3.28Å; Q215-S218 VanDerWaalsContact O-N 3.07Å; S218-S221 PolarHBondContact O-N 3.29Å; S218-K222 PolarHBondContact O-N 2.83Å |
| 219 | D | 95.4 | Very high | 85.5 | Confident | 70 Ų | 70 | 107.4 Ų | 107.4 | 37% | 0.374 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -66.9 | -42.2 | -179.3 | -65.3 | -30.9 | 0 | 0 | 0 | 111.7 | Q215 S221 K222 T223 | Q215-D219 VanDerWaalsContact NE2-CG 3.26Å; Q215-D219 PolarHBondContact NE2-OD1 3.07Å; Q215-D219 PolarHBondContact NE2-OD2 3.36Å; Q215-D219 PolarHBondContact O-N 2.85Å; D219-S221 VanDerWaalsContact C-N 3.34Å; D219-S221 PolarHBondContact O-N 3.29Å; D219-K222 PolarHBondContact O-N 3.12Å; D219-T223 PolarHBondContact O-N 3.47Å; D219-T223 VanDerWaalsContact O-N 3.15Å; D219-T223 PolarHBondContact O-OG1 3.08Å |
| 220 | S | 93.9 | Very high | 84.9 | Confident | 69 Ų | 69 | 104.2 Ų | 104.2 | 48% | 0.483 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.9 | -39.9 | 176.3 | -59.9 | 0 | 0 | 0 | 0 | 112.8 | S216 L217 K222 T223 Q224 | S216-S220 WeakPolarHBondContact O-CB 3.49Å; S216-S220 PolarHBondContact O-N 3.08Å; S216-S220 VanDerWaalsContact O-N 3.09Å; S216-S220 PolarHBondContact O-OG 3.39Å; L217-S220 PolarHBondContact O-N 2.52Å; S220-K222 VanDerWaalsContact C-N 3.34Å; S220-K222 PolarHBondContact O-N 3.01Å; S220-T223 PolarHBondContact O-N 2.74Å; S220-Q224 PolarHBondContact O-N 3.02Å; S220-Q224 VanDerWaalsContact O-N 3.09Å |
| 221 | S | 88.6 | Confident | 84.2 | Confident | 57 Ų | 57 | 105.1 Ų | 105.1 | 40% | 0.399 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.7 | -38 | 177.1 | -179.1 | 0 | 0 | 0 | 0 | 112.2 | L217 S218 D219 Q224 K225 | L217-S221 WeakPolarHBondContact O-CB 3.45Å; L217-S221 PolarHBondContact O-N 3.1Å; S218-S221 PolarHBondContact O-N 3.29Å; D219-S221 VanDerWaalsContact C-N 3.34Å; D219-S221 PolarHBondContact O-N 3.29Å; S221-Q224 PolarHBondContact O-N 2.73Å; S221-K225 PolarHBondContact O-N 3.44Å; S221-K225 VanDerWaalsContact O-N 3.11Å |
| 222 | K | 80.5 | Confident | 83.4 | Confident | 125 Ų | 125 | 108 Ų | 108 | 54% | 0.543 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -64.6 | -45.4 | 174.8 | -70 | 175 | -175.7 | 171.9 | 0 | 111.4 | S218 D219 S220 Q224 K225 V226 | S218-K222 PolarHBondContact O-N 2.83Å; D219-K222 PolarHBondContact O-N 3.12Å; S220-K222 VanDerWaalsContact C-N 3.34Å; S220-K222 PolarHBondContact O-N 3.01Å; K222-Q224 VanDerWaalsContact C-N 3.32Å; K222-Q224 PolarHBondContact O-N 2.93Å; K222-K225 PolarHBondContact O-N 3.29Å; K222-V226 WeakPolarHBondContact O-CG2 3.3Å; K222-V226 PolarHBondContact O-N 2.74Å |
| 223 | T | 76.6 | Confident | 82.5 | Confident | 79 Ų | 79 | 111.5 Ų | 111.5 | 49% | 0.485 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -61.1 | -39.5 | 178 | -52.7 | 0 | 0 | 0 | 0 | 112.2 | D219 S220 V226 K227 | D219-T223 PolarHBondContact O-N 3.47Å; D219-T223 VanDerWaalsContact O-N 3.15Å; D219-T223 PolarHBondContact O-OG1 3.08Å; S220-T223 PolarHBondContact O-N 2.74Å; T223-V226 PolarHBondContact O-N 2.95Å; T223-K227 WeakPolarHBondContact O-CG 3.32Å; T223-K227 PolarHBondContact O-N 2.87Å |
| 224 | Q | 72 | Confident | 81.5 | Confident | 132 Ų | 132 | 115.4 Ų | 115.4 | 62% | 0.617 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -66.5 | -37.2 | 175.8 | -72.4 | -176.5 | -7.7 | 0 | 0 | 113 | S220 S221 K222 K227 R228 | S220-Q224 PolarHBondContact O-N 3.02Å; S220-Q224 VanDerWaalsContact O-N 3.09Å; S221-Q224 PolarHBondContact O-N 2.73Å; K222-Q224 VanDerWaalsContact C-N 3.32Å; K222-Q224 PolarHBondContact O-N 2.93Å; Q224-K227 PolarHBondContact O-N 2.79Å; Q224-R228 WeakPolarHBondContact O-CG 3.04Å; Q224-R228 PolarHBondContact O-N 3.16Å |
| 225 | K | 68.1 | Low | 80.5 | Confident | 149 Ų | 149 | 119.1 Ų | 119.1 | 65% | 0.648 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -66.9 | -37.2 | 174.8 | -77.2 | -178.1 | 178.7 | -179.7 | 0 | 112.5 | S221 K222 R228 | S221-K225 PolarHBondContact O-N 3.44Å; S221-K225 VanDerWaalsContact O-N 3.11Å; K222-K225 PolarHBondContact O-N 3.29Å; K225-R228 PolarHBondContact O-N 2.98Å |
| 226 | V | 70.4 | Confident | 79.2 | Confident | 105 Ų | 105 | 120.4 Ų | 120.4 | 64% | 0.636 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -67.6 | -42 | 175.8 | 174.2 | 0 | 0 | 0 | 0 | 111.2 | K222 T223 R228 K229 | K222-V226 WeakPolarHBondContact O-CG2 3.3Å; K222-V226 PolarHBondContact O-N 2.74Å; T223-V226 PolarHBondContact O-N 2.95Å; V226-R228 PolarHBondContact O-N 3.13Å; V226-K229 PolarHBondContact O-N 3.08Å |
| 227 | K | 62.3 | Low | 77.8 | Confident | 175 Ų | 175 | 124.2 Ų | 124.2 | 76% | 0.761 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -67.2 | -16 | 176.7 | -74.3 | -175.8 | 177 | -175.4 | 0 | 114.9 | T223 Q224 | T223-K227 WeakPolarHBondContact O-CG 3.32Å; T223-K227 PolarHBondContact O-N 2.87Å; Q224-K227 PolarHBondContact O-N 2.79Å |
| 228 | R | 58.7 | Low | 76.3 | Confident | 226 Ų | 226 | 123.9 Ų | 123.9 | 85% | 0.853 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95 | -8.8 | 179.8 | -82.2 | -177.5 | 168.6 | -177.1 | -2.2 | 113.8 | Q224 K225 V226 | Q224-R228 WeakPolarHBondContact O-CG 3.04Å; Q224-R228 PolarHBondContact O-N 3.16Å; K225-R228 PolarHBondContact O-N 2.98Å; V226-R228 PolarHBondContact O-N 3.13Å |
| 229 | K | 53.3 | Low | 74.5 | Confident | 248 Ų | 248 | 130.5 Ų | 130.5 | 100% | 1.078 | 63% | 0.625 | S | S | * | * | trans | -97.6 | 0 | 171.8 | -78.3 | -170.8 | 172.9 | -171.2 | 0 | 109.4 | V226 | V226-K229 PolarHBondContact O-N 3.08Š|
Retrieved 229 of 229 residues in 367.8 ms
(Link to these results)