| 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 | 28.3 | Very low | 37.9 | Very low | 225 Ų | 225 | 145.2 Ų | 145.2 | 100% | 1.108 | 73% | 0.731 | S | S | * | * | 0 | 95.5 | 0 | -163.7 | 178.8 | -121 | 0 | 0 | 106.8 | W3 | M1-W3 PolarHBondContact O-N 2.75Š| |||
| 2 | V | 24.2 | Very low | 40.1 | Very low | 133 Ų | 133 | 147.1 Ų | 147.1 | 81% | 0.806 | 74% | 0.736 | S | S | * | * | trans | -76.3 | 107 | -179.6 | 180 | 0 | 0 | 0 | 0 | 106.8 | K4 | V2-K4 PolarHBondContact O-N 3.26Š| ||
| 3 | W | 25.1 | Very low | 42.6 | Very low | 221 Ų | 221 | 144.9 Ų | 144.9 | 84% | 0.837 | 74% | 0.738 | S | S | * | * | trans | -60 | 99.3 | 171.2 | -100.1 | 75.7 | 0 | 0 | 0 | 108.1 | M1 F5 | M1-W3 PolarHBondContact O-N 2.75Å; W3-F5 PolarHBondContact O-N 2.72Å | ||
| 4 | K | 24.7 | Very low | 45.4 | Very low | 174 Ų | 174 | 135.9 Ų | 135.9 | 76% | 0.757 | 70% | 0.695 | S | S | * | * | trans | -77.5 | 118.5 | 168.1 | -77.4 | -177.2 | 175.1 | 178.1 | 0 | 106.7 | V2 | V2-K4 PolarHBondContact O-N 3.26Š| ||
| 5 | F | 34.8 | Very low | 47.9 | Very low | 108 Ų | 108 | 132.1 Ų | 132.1 | 47% | 0.474 | 68% | 0.682 | S | S | . | * | trans | -48.6 | 132.1 | 162 | -70.1 | -83 | 0 | 0 | 0 | 107.6 | W3 K7 | W3-F5 PolarHBondContact O-N 2.72Å; F5-K7 PolarHBondContact O-N 3.22Å | ||
| 6 | P | 39.3 | Very low | 50.2 | Low | 106 Ų | 106 | 134 Ų | 134 | 69% | 0.688 | 69% | 0.694 | S | S | * | * | trans | -55.2 | 115.3 | 176.9 | 20.8 | -29.2 | 0 | 0 | 0 | 106.7 | V8 | P6-V8 PolarHBondContact O-N 2.61Š| ||
| 7 | K | 37.1 | Very low | 52.4 | Low | 182 Ų | 182 | 126.9 Ų | 126.9 | 79% | 0.791 | 66% | 0.662 | S | S | * | * | trans | -48.1 | 120.1 | 176.2 | -74.5 | -172.9 | 172.9 | -168.9 | 0 | 106.2 | F5 T9 | F5-K7 PolarHBondContact O-N 3.22Å; K7-T9 PolarHBondContact O-N 3.37Å | ||
| 8 | V | 49 | Very low | 54.5 | Low | 78 Ų | 78 | 122.2 Ų | 122.2 | 47% | 0.473 | 64% | 0.639 | S | S | . | * | trans | -51.8 | 106.5 | 174.8 | 177 | 0 | 0 | 0 | 0 | 106.2 | P6 L10 V11 | P6-V8 PolarHBondContact O-N 2.61Å; V8-L10 PolarHBondContact O-N 3.26Å; V8-V11 HydrophobicContact CB-CG2 4.18Å; V8-V11 WeakPolarHBondContact O-CG2 3.47Å | ||
| 9 | T | 47.8 | Very low | 56.2 | Low | 130 Ų | 130 | 120.8 Ų | 120.8 | 80% | 0.798 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | 114.8 | -172.7 | 29.3 | 0 | 0 | 0 | 0 | 107.2 | K7 | K7-T9 PolarHBondContact O-N 3.37Š|
| 10 | L | 50.4 | Low | 57.8 | Low | 174 Ų | 174 | 119.8 Ų | 119.8 | 91% | 0.911 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 75.3 | 64.5 | -170.3 | -67.5 | 146.2 | 0 | 0 | 0 | 114.5 | V8 Q12 | V8-L10 PolarHBondContact O-N 3.26Å; L10-Q12 PolarHBondContact O-N 2.79Å |
| 11 | V | 56.2 | Low | 59.2 | Low | 66 Ų | 66 | 114 Ų | 114 | 40% | 0.4 | 59% | 0.594 | S | S | . | * | trans | -59.6 | 115.5 | 160.7 | 175.2 | 0 | 0 | 0 | 0 | 108.8 | V8 L22 | V8-V11 HydrophobicContact CB-CG2 4.18Å; V8-V11 WeakPolarHBondContact O-CG2 3.47Å; V11-L22 HydrophobicContact CG1-CD1 3.48Å; V11-L22 VanDerWaalsContact CG1-CD1 3.48Å; V11-L22 HydrophobicContact CG1-CD2 3.42Å; V11-L22 VanDerWaalsContact CG1-CD2 3.42Å; V11-L22 HydrophobicContact CG1-CG 3.42Å; V11-L22 VanDerWaalsContact CG1-CG 3.42Å | ||
| 12 | Q | 64.6 | Low | 61.9 | Low | 168 Ų | 168 | 104.7 Ų | 104.7 | 79% | 0.785 | 55% | 0.548 | S | S | * | . | trans | -50.1 | 137.4 | 166.3 | -100.3 | 171.8 | -35.7 | 0 | 0 | 109.2 | L10 C14 | L10-Q12 PolarHBondContact O-N 2.79Å; Q12-C14 PolarHBondContact O-N 2.86Å; Q12-C14 VanDerWaalsContact O-N 3.12Å | ||
| 13 | P | 72.8 | Confident | 64.6 | Low | 119 Ų | 119 | 105 Ų | 105 | 77% | 0.773 | 54% | 0.541 | S | S | * | . | trans | -57.3 | 123.9 | 178.6 | 22.4 | -30.9 | 0 | 0 | 0 | 109.5 | P15 | P13-P15 WeakPolarHBondContact O-CD 3.35Š| ||
| 14 | C | 81.7 | Confident | 67.4 | Low | 19 Ų | 19 | 101.5 Ų | 101.5 | 13% | 0.128 | 53% | 0.528 | C | S | . | . | trans | -110.4 | 72.5 | 176.2 | -172.7 | 0 | 0 | 0 | 0 | 108.7 | Q12 D16 G17 L22 C28 | Q12-C14 PolarHBondContact O-N 2.86Å; Q12-C14 VanDerWaalsContact O-N 3.12Å; C14-D16 PolarHBondContact O-N 2.77Å; C14-G17 PolarHBondContact O-N 3.27Å; C14-L22 HydrophobicContact CB-CD1 4.12Å; C14-L22 HydrophobicContact CB-CD2 3.58Å; C14-L22 HydrophobicContact CB-CG 4.43Å; C14-C28 VanDerWaalsContact CA-SG 3.57Å; C14-C28 HydrophobicContact CB-CB 3.74Å; C14-C28 WeakPolarHBondContact CB-SG 3.14Å; C14-C28 WeakPolarHBondContact SG-CA 3.27Å; C14-C28 WeakPolarHBondContact SG-CB 3.2Å; C14-C28 CovalentContact SG-SG 2.02Å; C14-C28 PolarHBondContact SG-SG 3.26Å | ||
| 15 | P | 82.5 | Confident | 70.1 | Confident | 78 Ų | 78 | 95.5 Ų | 95.5 | 51% | 0.506 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | 135 | 180 | 25.9 | -32.3 | 0 | 0 | 0 | 109.4 | P13 G17 Q30 | P13-P15 WeakPolarHBondContact O-CD 3.35Å; P15-G17 PolarHBondContact O-N 3.27Å; P15-G17 VanDerWaalsContact O-N 3.1Å; P15-Q30 PolarHBondContact O-NE2 3.4Å |
| 16 | D | 85 | Confident | 72.2 | Confident | 163 Ų | 163 | 91.9 Ų | 91.9 | 87% | 0.872 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.6 | 12.1 | -179.4 | -49.8 | -48.2 | 0 | 0 | 0 | 115.9 | C14 | C14-D16 PolarHBondContact O-N 2.77Š|
| 17 | G | 87.8 | Confident | 74.2 | Confident | 14 Ų | 14 | 90.8 Ų | 90.8 | 14% | 0.144 | 48% | 0.481 | C | S | . | . | S | Bend | trans | -85.6 | 167.8 | 178 | 0 | 0 | 0 | 0 | 0 | 114.8 | C14 P15 T19 V29 | C14-G17 PolarHBondContact O-N 3.27Å; P15-G17 PolarHBondContact O-N 3.27Å; P15-G17 VanDerWaalsContact O-N 3.1Å; G17-T19 PolarHBondContact O-N 2.76Å; G17-V29 CarbonylContact C-O 3.49Å; G17-V29 WeakPolarHBondContact CA-O 3.25Å |
| 18 | V | 89.2 | Confident | 76.6 | Confident | 41 Ų | 41 | 85 Ų | 85 | 25% | 0.248 | 46% | 0.463 | C | S | . | . | trans | -71.1 | 101.5 | 176.5 | -175.3 | 0 | 0 | 0 | 0 | 110.2 | W20 I21 L22 V29 L35 | V18-W20 VanDerWaalsContact CG1-CD1 3.42Å; V18-W20 HydrophobicContact CG1-CD2 4.37Å; V18-W20 HydrophobicContact CG1-CG 4.16Å; V18-W20 HydrophobicContact CG1-CZ2 4.49Å; V18-W20 PolarHBondContact O-N 2.91Å; V18-I21 HydrophobicContact CB-CB 4.31Å; V18-I21 HydrophobicContact CB-CD1 3.91Å; V18-I21 HydrophobicContact CB-CG1 4.19Å; V18-I21 HydrophobicContact CG1-CB 4.21Å; V18-I21 HydrophobicContact CG1-CD1 3.68Å; V18-I21 HydrophobicContact CG1-CG1 3.71Å; V18-I21 HydrophobicContact CG2-CD1 4.38Å; V18-I21 PolarHBondContact O-N 2.71Å; V18-I21 VanDerWaalsContact O-N 3.17Å; V18-L22 PolarHBondContact O-N 2.83Å; V18-V29 HydrophobicContact CG2-CB 4.45Å; V18-V29 HydrophobicContact CG2-CG1 4.2Å; V18-V29 PolarHBondContact N-O 2.9Å; V18-L35 HydrophobicContact CG2-CD1 4.5Å | ||
| 19 | T | 87.2 | Confident | 78.5 | Confident | 96 Ų | 96 | 81.6 Ų | 81.6 | 59% | 0.589 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -58.2 | -42.9 | -171.1 | 53.4 | 0 | 0 | 0 | 0 | 114 | G17 I21 L22 E23 | G17-T19 PolarHBondContact O-N 2.76Å; T19-I21 VanDerWaalsContact C-N 3.33Å; T19-I21 PolarHBondContact O-N 3.43Å; T19-L22 WeakPolarHBondContact O-CB 3.46Å; T19-L22 PolarHBondContact O-N 3.37Å; T19-E23 WeakPolarHBondContact O-CB 3.39Å; T19-E23 WeakPolarHBondContact O-CG 3.22Å; T19-E23 PolarHBondContact O-N 3.48Å |
| 20 | W | 87.9 | Confident | 80.5 | Confident | 100 Ų | 100 | 80.3 Ų | 80.3 | 38% | 0.379 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -67.7 | -34 | -179 | 70.9 | -95.3 | 0 | 0 | 0 | 112.1 | V18 L22 E23 Y24 F25 F38 W39 | V18-W20 VanDerWaalsContact CG1-CD1 3.42Å; V18-W20 HydrophobicContact CG1-CD2 4.37Å; V18-W20 HydrophobicContact CG1-CG 4.16Å; V18-W20 HydrophobicContact CG1-CZ2 4.49Å; V18-W20 PolarHBondContact O-N 2.91Å; W20-L22 VanDerWaalsContact C-N 3.31Å; W20-E23 PolarHBondContact O-N 3.45Å; W20-Y24 HydrophobicContact CB-CD2 4.24Å; W20-Y24 HydrophobicContact CB-CE2 4.41Å; W20-Y24 HydrophobicContact CE3-CD2 4.48Å; W20-Y24 WeakPolarHBondContact O-CB 3.24Å; W20-Y24 WeakPolarHBondContact O-CD2 2.99Å; W20-Y24 PolarHBondContact O-N 3.48Å; W20-F25 HydrophobicContact CZ3-CD2 4.43Å; W20-F25 AromaticContact CZ3-CE2 3.99Å; W20-F25 HydrophobicContact CZ3-CE2 3.99Å; W20-F38 AromaticContact CH2-CE1 3.78Å; W20-F38 HydrophobicContact CH2-CE1 3.78Å; W20-F38 HydrophobicContact CH2-CZ 4.23Å; W20-F38 HydrophobicContact CZ3-CE1 4.3Å; W20-F38 HydrophobicContact CZ3-CZ 4.29Å; W20-W39 HydrophobicContact CH2-CH2 4.13Å; W20-W39 HydrophobicContact CH2-CZ2 4.07Å; W20-W39 HydrophobicContact CZ2-CZ2 4.08Å |
| 21 | I | 88 | Confident | 82.4 | Confident | 0 Ų | 0 | 75.3 Ų | 75.3 | 0% | 0 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -64.9 | -42.8 | 175.6 | -65.3 | 175.1 | 0 | 0 | 0 | 109.2 | V18 T19 F25 G26 Q27 V29 L35 F38 | V18-I21 HydrophobicContact CB-CB 4.31Å; V18-I21 HydrophobicContact CB-CD1 3.91Å; V18-I21 HydrophobicContact CB-CG1 4.19Å; V18-I21 HydrophobicContact CG1-CB 4.21Å; V18-I21 HydrophobicContact CG1-CD1 3.68Å; V18-I21 HydrophobicContact CG1-CG1 3.71Å; V18-I21 HydrophobicContact CG2-CD1 4.38Å; V18-I21 PolarHBondContact O-N 2.71Å; V18-I21 VanDerWaalsContact O-N 3.17Å; T19-I21 VanDerWaalsContact C-N 3.33Å; T19-I21 PolarHBondContact O-N 3.43Å; I21-F25 HydrophobicContact CG2-CB 4.39Å; I21-F25 WeakPolarHBondContact O-CA 3.22Å; I21-F25 VanDerWaalsContact O-CB 3.28Å; I21-F25 WeakPolarHBondContact O-CB 3.44Å; I21-F25 PolarHBondContact O-N 3.4Å; I21-G26 PolarHBondContact O-N 3.42Å; I21-Q27 HydrophobicContact CG2-CB 4.06Å; I21-V29 HydrophobicContact CD1-CB 4.39Å; I21-V29 HydrophobicContact CD1-CG2 4.26Å; I21-V29 HydrophobicContact CG2-CG2 3.93Å; I21-L35 HydrophobicContact CD1-CD1 3.77Å; I21-F38 HydrophobicContact CD1-CD1 3.73Å; I21-F38 HydrophobicContact CD1-CE1 3.81Å; I21-F38 HydrophobicContact CD1-CG 4.1Å; I21-F38 HydrophobicContact CD1-CZ 4.25Å; I21-F38 HydrophobicContact CG1-CD1 4.41Å; I21-F38 HydrophobicContact CG1-CE1 4Å; I21-F38 HydrophobicContact CG1-CE2 4.47Å; I21-F38 HydrophobicContact CG1-CZ 4.03Å; I21-F38 HydrophobicContact CG2-CD2 3.88Å; I21-F38 HydrophobicContact CG2-CE2 3.63Å; I21-F38 HydrophobicContact CG2-CG 4.47Å; I21-F38 HydrophobicContact CG2-CZ 4.01Å |
| 22 | L | 84.2 | Confident | 84.2 | Confident | 29 Ų | 29 | 75.1 Ų | 75.1 | 15% | 0.152 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -62.5 | -44.1 | 175.3 | -169.4 | 67.9 | 0 | 0 | 0 | 112.5 | V11 C14 V18 T19 W20 G26 Q27 C28 | V11-L22 HydrophobicContact CG1-CD1 3.48Å; V11-L22 VanDerWaalsContact CG1-CD1 3.48Å; V11-L22 HydrophobicContact CG1-CD2 3.42Å; V11-L22 VanDerWaalsContact CG1-CD2 3.42Å; V11-L22 HydrophobicContact CG1-CG 3.42Å; V11-L22 VanDerWaalsContact CG1-CG 3.42Å; C14-L22 HydrophobicContact CB-CD1 4.12Å; C14-L22 HydrophobicContact CB-CD2 3.58Å; C14-L22 HydrophobicContact CB-CG 4.43Å; V18-L22 PolarHBondContact O-N 2.83Å; T19-L22 WeakPolarHBondContact O-CB 3.46Å; T19-L22 PolarHBondContact O-N 3.37Å; W20-L22 VanDerWaalsContact C-N 3.31Å; L22-G26 WeakPolarHBondContact O-CA 3.24Å; L22-G26 PolarHBondContact O-N 2.82Å; L22-Q27 VanDerWaalsContact CA-O 3.29Å; L22-Q27 WeakPolarHBondContact CA-O 3.47Å; L22-Q27 PolarHBondContact N-O 3.33Å; L22-C28 HydrophobicContact CD1-CB 4.28Å |
| 23 | E | 82 | Confident | 85.6 | Confident | 139 Ų | 139 | 70.3 Ų | 70.3 | 65% | 0.65 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -67.5 | -40.8 | -178.2 | -75.9 | 178.9 | -178.5 | 0 | 0 | 113.2 | T19 W20 | T19-E23 WeakPolarHBondContact O-CB 3.39Å; T19-E23 WeakPolarHBondContact O-CG 3.22Å; T19-E23 PolarHBondContact O-N 3.48Å; W20-E23 PolarHBondContact O-N 3.45Å |
| 24 | Y | 82.6 | Confident | 86.5 | Confident | 148 Ų | 148 | 66.4 Ų | 66.4 | 58% | 0.58 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -94.2 | -33.9 | -175 | -71.5 | -72.1 | 0 | 0 | 0 | 113.8 | W20 | W20-Y24 HydrophobicContact CB-CD2 4.24Å; W20-Y24 HydrophobicContact CB-CE2 4.41Å; W20-Y24 HydrophobicContact CE3-CD2 4.48Å; W20-Y24 WeakPolarHBondContact O-CB 3.24Å; W20-Y24 WeakPolarHBondContact O-CD2 2.99Å; W20-Y24 PolarHBondContact O-N 3.48Å |
| 25 | F | 82.6 | Confident | 87.1 | Confident | 48 Ų | 48 | 68.2 Ų | 68.2 | 21% | 0.211 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -112.1 | -9.4 | -175.4 | -64 | -95.2 | 0 | 0 | 0 | 113.3 | W20 I21 Q27 F38 L42 L93 T95 | W20-F25 HydrophobicContact CZ3-CD2 4.43Å; W20-F25 AromaticContact CZ3-CE2 3.99Å; W20-F25 HydrophobicContact CZ3-CE2 3.99Å; I21-F25 HydrophobicContact CG2-CB 4.39Å; I21-F25 WeakPolarHBondContact O-CA 3.22Å; I21-F25 VanDerWaalsContact O-CB 3.28Å; I21-F25 WeakPolarHBondContact O-CB 3.44Å; I21-F25 PolarHBondContact O-N 3.4Å; F25-Q27 HydrophobicContact CB-CG 4.44Å; F25-Q27 PolarHBondContact O-N 2.9Å; F25-F38 HydrophobicContact CB-CE2 4.29Å; F25-F38 HydrophobicContact CD1-CE2 4.11Å; F25-F38 HydrophobicContact CD1-CZ 4.36Å; F25-F38 HydrophobicContact CD2-CE2 4.04Å; F25-F38 AromaticContact CD2-CZ 3.8Å; F25-F38 HydrophobicContact CD2-CZ 3.8Å; F25-F38 HydrophobicContact CE1-CE2 4.48Å; F25-F38 HydrophobicContact CE1-CZ 4.35Å; F25-F38 HydrophobicContact CE2-CE2 4.43Å; F25-F38 AromaticContact CE2-CZ 3.82Å; F25-F38 HydrophobicContact CE2-CZ 3.82Å; F25-F38 AromaticContact CG-CE2 3.88Å; F25-F38 HydrophobicContact CG-CE2 3.88Å; F25-F38 HydrophobicContact CG-CZ 4.09Å; F25-F38 HydrophobicContact CZ-CZ 4.09Å; F25-L42 HydrophobicContact CE1-CD2 4.08Å; F25-L42 HydrophobicContact CZ-CD2 4.39Å; F25-L93 WeakPolarHBondContact O-CD2 3.3Å; F25-T95 HydrophobicContact CE1-CG2 4.41Å |
| 26 | G | 78.3 | Confident | 87.8 | Confident | 32 Ų | 32 | 66.4 Ų | 66.4 | 33% | 0.33 | 37% | 0.366 | S | S | . | . | trans | 67.7 | 16.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | I21 L22 | I21-G26 PolarHBondContact O-N 3.42Å; L22-G26 WeakPolarHBondContact O-CA 3.24Å; L22-G26 PolarHBondContact O-N 2.82Å | ||
| 27 | Q | 82 | Confident | 88.3 | Confident | 83 Ų | 83 | 59 Ų | 59 | 39% | 0.388 | 33% | 0.327 | S | S | . | . | trans | -105.7 | 132 | -177.6 | -69.7 | -175.3 | -33.5 | 0 | 0 | 110.7 | I21 L22 F25 | I21-Q27 HydrophobicContact CG2-CB 4.06Å; L22-Q27 VanDerWaalsContact CA-O 3.29Å; L22-Q27 WeakPolarHBondContact CA-O 3.47Å; L22-Q27 PolarHBondContact N-O 3.33Å; F25-Q27 HydrophobicContact CB-CG 4.44Å; F25-Q27 PolarHBondContact O-N 2.9Å | ||
| 28 | C | 86.7 | Confident | 88.5 | Confident | 59 Ų | 59 | 59 Ų | 59 | 40% | 0.399 | 32% | 0.323 | S | S | . | . | trans | -87.8 | 121.1 | 172.7 | -177.6 | 0 | 0 | 0 | 0 | 109.4 | C14 L22 | C14-C28 VanDerWaalsContact CA-SG 3.57Å; C14-C28 HydrophobicContact CB-CB 3.74Å; C14-C28 WeakPolarHBondContact CB-SG 3.14Å; C14-C28 WeakPolarHBondContact SG-CA 3.27Å; C14-C28 WeakPolarHBondContact SG-CB 3.2Å; C14-C28 CovalentContact SG-SG 2.02Å; C14-C28 PolarHBondContact SG-SG 3.26Å; L22-C28 HydrophobicContact CD1-CB 4.28Å | ||
| 29 | V | 89 | Confident | 88.9 | Confident | 7 Ų | 7 | 63.1 Ų | 63.1 | 4% | 0.042 | 33% | 0.334 | C | S | . | . | trans | -126.8 | 110.2 | 179.6 | 172.9 | 0 | 0 | 0 | 0 | 107.4 | G17 V18 I21 E34 L35 F38 | G17-V29 CarbonylContact C-O 3.49Å; G17-V29 WeakPolarHBondContact CA-O 3.25Å; V18-V29 HydrophobicContact CG2-CB 4.45Å; V18-V29 HydrophobicContact CG2-CG1 4.2Å; V18-V29 PolarHBondContact N-O 2.9Å; I21-V29 HydrophobicContact CD1-CB 4.39Å; I21-V29 HydrophobicContact CD1-CG2 4.26Å; I21-V29 HydrophobicContact CG2-CG2 3.93Å; V29-E34 HydrophobicContact CG1-CB 3.93Å; V29-L35 HydrophobicContact CG1-CB 3.78Å; V29-L35 HydrophobicContact CG1-CD1 4.13Å; V29-F38 HydrophobicContact CG2-CB 4.43Å | ||
| 30 | Q | 89.6 | Confident | 89.4 | Confident | 104 Ų | 104 | 60.1 Ų | 60.1 | 49% | 0.486 | 32% | 0.315 | S | S | . | . | trans | -109.6 | -26 | -171.6 | -60.3 | -174.6 | -69.4 | 0 | 0 | 113.3 | P15 E34 | P15-Q30 PolarHBondContact O-NE2 3.4Å; Q30-E34 PolarHBondContact N-OE2 3.33Å | ||
| 31 | N | 90.8 | Very high | 89.7 | Confident | 69 Ų | 69 | 56.1 Ų | 56.1 | 37% | 0.369 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -129.3 | 168.2 | -175.9 | 64 | 59.4 | 0 | 0 | 0 | 113.2 | V33 E34 L35 | N31-V33 PolarHBondContact O-N 3.4Å; N31-V33 WeakPolarHBondContact OD1-CB 3.19Å; N31-V33 PolarHBondContact OD1-N 3.02Å; N31-V33 VanDerWaalsContact OD1-N 3.1Å; N31-E34 PolarHBondContact N-OE2 2.85Å; N31-E34 PolarHBondContact ND2-OE1 3.46Å; N31-E34 PolarHBondContact O-N 3.45Å; N31-E34 PolarHBondContact OD1-N 3.34Å; N31-L35 PolarHBondContact O-N 3.4Å |
| 32 | G | 93.2 | Very high | 90 | Very high | 62 Ų | 62 | 58.5 Ų | 58.5 | 64% | 0.639 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -62.9 | -26.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | A36 | G32-A36 WeakPolarHBondContact O-CB 3.31Å; G32-A36 PolarHBondContact O-N 3Å |
| 33 | V | 94.5 | Very high | 90.5 | Very high | 66 Ų | 66 | 61.3 Ų | 61.3 | 40% | 0.4 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -75 | -46.6 | 178.9 | -179.5 | 0 | 0 | 0 | 0 | 110.5 | N31 L35 A36 A37 L217 | N31-V33 PolarHBondContact O-N 3.4Å; N31-V33 WeakPolarHBondContact OD1-CB 3.19Å; N31-V33 PolarHBondContact OD1-N 3.02Å; N31-V33 VanDerWaalsContact OD1-N 3.1Å; V33-L35 VanDerWaalsContact C-N 3.27Å; V33-L35 PolarHBondContact O-N 2.92Å; V33-A36 WeakPolarHBondContact O-CB 3.16Å; V33-A36 PolarHBondContact O-N 3.45Å; V33-A37 PolarHBondContact O-N 3.36Å; V33-L217 HydrophobicContact CG1-CB 4.06Å; V33-L217 HydrophobicContact CG1-CD2 3.97Å |
| 34 | E | 92 | Very high | 91.2 | Very high | 37 Ų | 37 | 54.8 Ų | 54.8 | 17% | 0.173 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62 | -37.1 | 173.9 | -72.1 | 162.9 | -163.5 | 0 | 0 | 111.6 | V29 Q30 N31 A37 F38 | V29-E34 HydrophobicContact CG1-CB 3.93Å; Q30-E34 PolarHBondContact N-OE2 3.33Å; N31-E34 PolarHBondContact N-OE2 2.85Å; N31-E34 PolarHBondContact ND2-OE1 3.46Å; N31-E34 PolarHBondContact O-N 3.45Å; N31-E34 PolarHBondContact OD1-N 3.34Å; E34-A37 WeakPolarHBondContact O-CB 3.22Å; E34-A37 PolarHBondContact O-N 3.39Å; E34-F38 WeakPolarHBondContact O-CB 3.23Å; E34-F38 PolarHBondContact O-N 2.88Å |
| 35 | L | 94.3 | Very high | 91.7 | Very high | 58 Ų | 58 | 50.5 Ų | 50.5 | 30% | 0.304 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.5 | -41.7 | 175.1 | -175.4 | 61.1 | 0 | 0 | 0 | 111.5 | V18 I21 V29 N31 V33 F38 W39 | V18-L35 HydrophobicContact CG2-CD1 4.5Å; I21-L35 HydrophobicContact CD1-CD1 3.77Å; V29-L35 HydrophobicContact CG1-CB 3.78Å; V29-L35 HydrophobicContact CG1-CD1 4.13Å; N31-L35 PolarHBondContact O-N 3.4Å; V33-L35 VanDerWaalsContact C-N 3.27Å; V33-L35 PolarHBondContact O-N 2.92Å; L35-F38 PolarHBondContact O-N 3.45Å; L35-W39 PolarHBondContact O-N 2.91Å; L35-W39 VanDerWaalsContact O-N 3.13Å |
| 36 | A | 96.4 | Very high | 92.3 | Very high | 40 Ų | 40 | 53.3 Ų | 53.3 | 33% | 0.331 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.8 | -43.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | G32 V33 F38 W39 I40 | G32-A36 WeakPolarHBondContact O-CB 3.31Å; G32-A36 PolarHBondContact O-N 3Å; V33-A36 WeakPolarHBondContact O-CB 3.16Å; V33-A36 PolarHBondContact O-N 3.45Å; A36-F38 VanDerWaalsContact C-N 3.32Å; A36-F38 PolarHBondContact O-N 3.45Å; A36-W39 PolarHBondContact O-N 2.91Å; A36-I40 HydrophobicContact CB-CD1 4.46Å; A36-I40 WeakPolarHBondContact O-CB 3.4Å; A36-I40 WeakPolarHBondContact O-CD1 3.39Å; A36-I40 WeakPolarHBondContact O-CG1 3.5Å; A36-I40 PolarHBondContact O-N 2.95Å |
| 37 | A | 95.2 | Very high | 93.2 | Very high | 7 Ų | 7 | 53.7 Ų | 53.7 | 6% | 0.058 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -55.6 | -47.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | V33 E34 W39 I40 G41 S214 L217 | V33-A37 PolarHBondContact O-N 3.36Å; E34-A37 WeakPolarHBondContact O-CB 3.22Å; E34-A37 PolarHBondContact O-N 3.39Å; A37-W39 PolarHBondContact O-N 3.37Å; A37-I40 PolarHBondContact O-N 3.38Å; A37-G41 PolarHBondContact O-N 3Å; A37-S214 WeakPolarHBondContact CB-O 3.39Å; A37-S214 VanDerWaalsContact O-CB 3.28Å; A37-S214 WeakPolarHBondContact O-CB 3.34Å; A37-L217 HydrophobicContact CB-CB 3.66Å |
| 38 | F | 93.5 | Very high | 93.8 | Very high | 15 Ų | 15 | 51.1 Ų | 51.1 | 7% | 0.066 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -56.6 | -51.4 | 176.8 | 176 | -97.6 | 0 | 0 | 0 | 112.1 | W20 I21 F25 V29 E34 L35 A36 G41 L42 | W20-F38 AromaticContact CH2-CE1 3.78Å; W20-F38 HydrophobicContact CH2-CE1 3.78Å; W20-F38 HydrophobicContact CH2-CZ 4.23Å; W20-F38 HydrophobicContact CZ3-CE1 4.3Å; W20-F38 HydrophobicContact CZ3-CZ 4.29Å; I21-F38 HydrophobicContact CD1-CD1 3.73Å; I21-F38 HydrophobicContact CD1-CE1 3.81Å; I21-F38 HydrophobicContact CD1-CG 4.1Å; I21-F38 HydrophobicContact CD1-CZ 4.25Å; I21-F38 HydrophobicContact CG1-CD1 4.41Å; I21-F38 HydrophobicContact CG1-CE1 4Å; I21-F38 HydrophobicContact CG1-CE2 4.47Å; I21-F38 HydrophobicContact CG1-CZ 4.03Å; I21-F38 HydrophobicContact CG2-CD2 3.88Å; I21-F38 HydrophobicContact CG2-CE2 3.63Å; I21-F38 HydrophobicContact CG2-CG 4.47Å; I21-F38 HydrophobicContact CG2-CZ 4.01Å; F25-F38 HydrophobicContact CB-CE2 4.29Å; F25-F38 HydrophobicContact CD1-CE2 4.11Å; F25-F38 HydrophobicContact CD1-CZ 4.36Å; F25-F38 HydrophobicContact CD2-CE2 4.04Å; F25-F38 AromaticContact CD2-CZ 3.8Å; F25-F38 HydrophobicContact CD2-CZ 3.8Å; F25-F38 HydrophobicContact CE1-CE2 4.48Å; F25-F38 HydrophobicContact CE1-CZ 4.35Å; F25-F38 HydrophobicContact CE2-CE2 4.43Å; F25-F38 AromaticContact CE2-CZ 3.82Å; F25-F38 HydrophobicContact CE2-CZ 3.82Å; F25-F38 AromaticContact CG-CE2 3.88Å; F25-F38 HydrophobicContact CG-CE2 3.88Å; F25-F38 HydrophobicContact CG-CZ 4.09Å; F25-F38 HydrophobicContact CZ-CZ 4.09Å; V29-F38 HydrophobicContact CG2-CB 4.43Å; E34-F38 WeakPolarHBondContact O-CB 3.23Å; E34-F38 PolarHBondContact O-N 2.88Å; L35-F38 PolarHBondContact O-N 3.45Å; A36-F38 VanDerWaalsContact C-N 3.32Å; A36-F38 PolarHBondContact O-N 3.45Å; F38-G41 PolarHBondContact O-N 3.38Å; F38-L42 HydrophobicContact CD1-CD1 4.12Å; F38-L42 HydrophobicContact CE1-CD1 3.41Å; F38-L42 VanDerWaalsContact CE1-CD1 3.41Å; F38-L42 HydrophobicContact CE1-CG 4.19Å; F38-L42 HydrophobicContact CZ-CD1 3.66Å; F38-L42 HydrophobicContact CZ-CG 4.2Å; F38-L42 PolarHBondContact O-N 2.92Å |
| 39 | W | 96.2 | Very high | 94.2 | Very high | 126 Ų | 126 | 51.7 Ų | 51.7 | 48% | 0.477 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -65.4 | -40.6 | 179.8 | -74.9 | 116.6 | 0 | 0 | 0 | 113.1 | W20 L35 A36 A37 G41 L42 I43 | W20-W39 HydrophobicContact CH2-CH2 4.13Å; W20-W39 HydrophobicContact CH2-CZ2 4.07Å; W20-W39 HydrophobicContact CZ2-CZ2 4.08Å; L35-W39 PolarHBondContact O-N 2.91Å; L35-W39 VanDerWaalsContact O-N 3.13Å; A36-W39 PolarHBondContact O-N 2.91Å; A37-W39 PolarHBondContact O-N 3.37Å; W39-G41 VanDerWaalsContact C-N 3.29Å; W39-G41 PolarHBondContact O-N 3.29Å; W39-L42 HydrophobicContact CE3-CD1 3.79Å; W39-L42 HydrophobicContact CZ3-CD1 3.8Å; W39-L42 PolarHBondContact O-N 3.42Å; W39-I43 WeakPolarHBondContact O-CG1 3.24Å; W39-I43 PolarHBondContact O-N 2.92Å |
| 40 | I | 97.5 | Very high | 94.6 | Very high | 34 Ų | 34 | 55.8 Ų | 55.8 | 17% | 0.174 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.5 | -39 | 175.9 | -66.8 | 161.7 | 0 | 0 | 0 | 110.3 | A36 A37 I43 S44 C210 F213 L217 | A36-I40 HydrophobicContact CB-CD1 4.46Å; A36-I40 WeakPolarHBondContact O-CB 3.4Å; A36-I40 WeakPolarHBondContact O-CD1 3.39Å; A36-I40 WeakPolarHBondContact O-CG1 3.5Å; A36-I40 PolarHBondContact O-N 2.95Å; A37-I40 PolarHBondContact O-N 3.38Å; I40-I43 PolarHBondContact O-N 2.87Å; I40-S44 PolarHBondContact O-N 2.87Å; I40-C210 HydrophobicContact CG2-CB 3.89Å; I40-C210 WeakPolarHBondContact CG2-O 3.41Å; I40-F213 HydrophobicContact CD1-CD1 3.9Å; I40-F213 HydrophobicContact CD1-CE1 4.01Å; I40-F213 HydrophobicContact CG2-CD1 4.47Å; I40-L217 HydrophobicContact CD1-CD1 3.82Å |
| 41 | G | 94.8 | Very high | 94.9 | Very high | 16 Ų | 16 | 50.8 Ų | 50.8 | 17% | 0.165 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.4 | -43.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A37 F38 W39 I43 S44 L45 | A37-G41 PolarHBondContact O-N 3Å; F38-G41 PolarHBondContact O-N 3.38Å; W39-G41 VanDerWaalsContact C-N 3.29Å; W39-G41 PolarHBondContact O-N 3.29Å; G41-I43 PolarHBondContact O-N 3Å; G41-S44 WeakPolarHBondContact O-CB 3.47Å; G41-S44 PolarHBondContact O-N 2.9Å; G41-L45 WeakPolarHBondContact O-CG 3.38Å; G41-L45 PolarHBondContact O-N 3.47Å |
| 42 | L | 93.5 | Very high | 95.1 | Very high | 49 Ų | 49 | 47.5 Ų | 47.5 | 26% | 0.257 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -63.5 | -39.5 | 174.1 | -71.7 | -177.7 | 0 | 0 | 0 | 112.7 | F25 F38 W39 S44 L45 L46 | F25-L42 HydrophobicContact CE1-CD2 4.08Å; F25-L42 HydrophobicContact CZ-CD2 4.39Å; F38-L42 HydrophobicContact CD1-CD1 4.12Å; F38-L42 HydrophobicContact CE1-CD1 3.41Å; F38-L42 VanDerWaalsContact CE1-CD1 3.41Å; F38-L42 HydrophobicContact CE1-CG 4.19Å; F38-L42 HydrophobicContact CZ-CD1 3.66Å; F38-L42 HydrophobicContact CZ-CG 4.2Å; F38-L42 PolarHBondContact O-N 2.92Å; W39-L42 HydrophobicContact CE3-CD1 3.79Å; W39-L42 HydrophobicContact CZ3-CD1 3.8Å; W39-L42 PolarHBondContact O-N 3.42Å; L42-S44 VanDerWaalsContact C-N 3.33Å; L42-L45 HydrophobicContact CD2-CD1 4.25Å; L42-L45 PolarHBondContact O-N 3.44Å; L42-L46 PolarHBondContact O-N 2.84Å |
| 43 | I | 96.5 | Very high | 95.3 | Very high | 89 Ų | 89 | 48.4 Ų | 48.4 | 46% | 0.456 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.5 | -44.4 | 174 | -69.8 | 165.5 | 0 | 0 | 0 | 110.3 | W39 I40 G41 L45 L46 L47 | W39-I43 WeakPolarHBondContact O-CG1 3.24Å; W39-I43 PolarHBondContact O-N 2.92Å; I40-I43 PolarHBondContact O-N 2.87Å; G41-I43 PolarHBondContact O-N 3Å; I43-L45 PolarHBondContact O-N 3.47Å; I43-L46 PolarHBondContact O-N 3.39Å; I43-L47 HydrophobicContact CG2-CD1 4Å; I43-L47 HydrophobicContact CG2-CG 4.34Å; I43-L47 WeakPolarHBondContact O-CG 3.4Å; I43-L47 PolarHBondContact O-N 2.85Å |
| 44 | S | 96.7 | Very high | 95.4 | Very high | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.014 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -57.4 | -49.1 | 174.8 | 176.9 | 0 | 0 | 0 | 0 | 111.7 | I40 G41 L42 L46 L47 W48 A207 Y211 | I40-S44 PolarHBondContact O-N 2.87Å; G41-S44 WeakPolarHBondContact O-CB 3.47Å; G41-S44 PolarHBondContact O-N 2.9Å; L42-S44 VanDerWaalsContact C-N 3.33Å; S44-L46 VanDerWaalsContact C-N 3.29Å; S44-L46 PolarHBondContact O-N 2.95Å; S44-L47 PolarHBondContact O-N 3.28Å; S44-W48 PolarHBondContact O-N 3.2Å; S44-W48 VanDerWaalsContact O-N 3.09Å; S44-A207 WeakPolarHBondContact CB-O 3.5Å; S44-A207 PolarHBondContact OG-O 2.94Å; S44-Y211 WeakPolarHBondContact OG-CB 3.5Å; S44-Y211 PolarHBondContact OG-N 3.22Å |
| 45 | L | 92.6 | Very high | 95.7 | Very high | 58 Ų | 58 | 45 Ų | 45 | 30% | 0.304 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -58 | -42.1 | 177.6 | -72.3 | 173.2 | 0 | 0 | 0 | 111.9 | G41 L42 I43 W48 F49 V99 | G41-L45 WeakPolarHBondContact O-CG 3.38Å; G41-L45 PolarHBondContact O-N 3.47Å; L42-L45 HydrophobicContact CD2-CD1 4.25Å; L42-L45 PolarHBondContact O-N 3.44Å; I43-L45 PolarHBondContact O-N 3.47Å; L45-W48 PolarHBondContact O-N 3.4Å; L45-F49 VanDerWaalsContact O-CD2 3.23Å; L45-F49 WeakPolarHBondContact O-CD2 3.27Å; L45-F49 WeakPolarHBondContact O-CE2 3.36Å; L45-V99 HydrophobicContact CD2-CG1 4.26Å; L45-V99 HydrophobicContact CD2-CG2 4.31Å |
| 46 | L | 94.6 | Very high | 95.8 | Very high | 107 Ų | 107 | 43.8 Ų | 43.8 | 56% | 0.56 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -65 | -44.5 | 176.6 | -179.2 | 62.8 | 0 | 0 | 0 | 111.8 | L42 I43 S44 W48 F49 F50 | L42-L46 PolarHBondContact O-N 2.84Å; I43-L46 PolarHBondContact O-N 3.39Å; S44-L46 VanDerWaalsContact C-N 3.29Å; S44-L46 PolarHBondContact O-N 2.95Å; L46-W48 VanDerWaalsContact C-N 3.25Å; L46-W48 PolarHBondContact O-N 3.46Å; L46-F49 PolarHBondContact O-N 3.35Å; L46-F50 HydrophobicContact CD1-CE2 4.17Å; L46-F50 HydrophobicContact CG-CE2 4.32Å; L46-F50 VanDerWaalsContact O-CD2 3.3Å; L46-F50 WeakPolarHBondContact O-CD2 3.37Å; L46-F50 WeakPolarHBondContact O-CE2 3.33Å |
| 47 | L | 97.5 | Very high | 95.8 | Very high | 40 Ų | 40 | 48 Ų | 48 | 21% | 0.209 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.6 | -37.8 | 179.7 | -75.7 | 171.1 | 0 | 0 | 0 | 111.9 | I43 S44 F49 F50 P51 L203 A206 A207 | I43-L47 HydrophobicContact CG2-CD1 4Å; I43-L47 HydrophobicContact CG2-CG 4.34Å; I43-L47 WeakPolarHBondContact O-CG 3.4Å; I43-L47 PolarHBondContact O-N 2.85Å; S44-L47 PolarHBondContact O-N 3.28Å; L47-F49 PolarHBondContact O-N 2.96Å; L47-F49 VanDerWaalsContact O-N 3.12Å; L47-F50 PolarHBondContact O-N 3.49Å; L47-F50 VanDerWaalsContact O-N 3.11Å; L47-P51 VanDerWaalsContact O-CD 3.29Å; L47-P51 WeakPolarHBondContact O-CD 3.43Å; L47-L203 HydrophobicContact CD2-CD2 4.05Å; L47-A206 HydrophobicContact CD1-CB 3.89Å; L47-A207 HydrophobicContact CB-CB 3.8Å |
| 48 | W | 95.6 | Very high | 95.9 | Very high | 28 Ų | 28 | 49.3 Ų | 49.3 | 11% | 0.106 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -11.9 | -179.8 | -85.5 | 119.7 | 0 | 0 | 0 | 115.3 | S44 L45 L46 F50 P51 W76 Y103 M204 A207 N208 | S44-W48 PolarHBondContact O-N 3.2Å; S44-W48 VanDerWaalsContact O-N 3.09Å; L45-W48 PolarHBondContact O-N 3.4Å; L46-W48 VanDerWaalsContact C-N 3.25Å; L46-W48 PolarHBondContact O-N 3.46Å; W48-F50 PolarHBondContact O-N 3.19Å; W48-P51 HydrophobicContact CE3-CG 4Å; W48-P51 HydrophobicContact CZ3-CG 4.38Å; W48-P51 VanDerWaalsContact O-CD 3.27Å; W48-P51 WeakPolarHBondContact O-CD 3.38Å; W48-W76 AromaticContact CZ3-CZ2 3.69Å; W48-W76 HydrophobicContact CZ3-CZ2 3.69Å; W48-Y103 HydrophobicContact CB-CE1 3.7Å; W48-Y103 WeakPolarHBondContact CB-OH 3.38Å; W48-Y103 HydrophobicContact CG-CE1 4.33Å; W48-Y103 AromaticContact CG-CZ 3.87Å; W48-M204 HydrophobicContact CZ3-CG 4.22Å; W48-A207 HydrophobicContact CD2-CB 3.77Å; W48-A207 HydrophobicContact CE3-CB 4.44Å; W48-A207 HydrophobicContact CG-CB 3.83Å; W48-A207 HydrophobicContact CZ2-CB 4.31Å; W48-N208 WeakPolarHBondContact CH2-ND2 3.3Å; W48-N208 WeakPolarHBondContact CZ2-ND2 3.41Å; W48-N208 WeakPolarHBondContact CZ2-OD1 3.44Å |
| 49 | F | 94.8 | Very high | 96 | Very high | 71 Ų | 71 | 48.6 Ų | 48.6 | 31% | 0.311 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -22.3 | 172.1 | -78.7 | -92.3 | 0 | 0 | 0 | 113.4 | L45 L46 L47 Y102 | L45-F49 VanDerWaalsContact O-CD2 3.23Å; L45-F49 WeakPolarHBondContact O-CD2 3.27Å; L45-F49 WeakPolarHBondContact O-CE2 3.36Å; L46-F49 PolarHBondContact O-N 3.35Å; L47-F49 PolarHBondContact O-N 2.96Å; L47-F49 VanDerWaalsContact O-N 3.12Å; F49-Y102 HydrophobicContact CB-CE1 4.25Å; F49-Y102 AromaticContact CD1-CD1 3.82Å; F49-Y102 HydrophobicContact CD1-CD1 3.82Å; F49-Y102 HydrophobicContact CD1-CD2 4.08Å; F49-Y102 AromaticContact CD1-CE1 3.54Å; F49-Y102 HydrophobicContact CD1-CE1 3.54Å; F49-Y102 AromaticContact CD1-CE2 3.75Å; F49-Y102 HydrophobicContact CD1-CE2 3.75Å; F49-Y102 HydrophobicContact CD1-CG 4.1Å; F49-Y102 AromaticContact CD1-CZ 3.48Å; F49-Y102 VanDerWaalsContact CD1-CZ 3.48Å; F49-Y102 AromaticContact CE1-CD1 3.87Å; F49-Y102 HydrophobicContact CE1-CD1 3.87Å; F49-Y102 AromaticContact CE1-CD2 3.93Å; F49-Y102 HydrophobicContact CE1-CD2 3.93Å; F49-Y102 HydrophobicContact CE1-CE1 4.09Å; F49-Y102 HydrophobicContact CE1-CE2 4.08Å; F49-Y102 AromaticContact CE1-CG 3.82Å; F49-Y102 HydrophobicContact CE1-CG 3.82Å; F49-Y102 HydrophobicContact CG-CD1 4.49Å; F49-Y102 HydrophobicContact CG-CE1 4.06Å; F49-Y102 PolarHBondContact O-OH 3.41Å |
| 50 | F | 96.3 | Very high | 96 | Very high | 93 Ų | 93 | 50.1 Ų | 50.1 | 41% | 0.408 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -105.7 | -21.7 | -165.4 | -56.7 | -75 | 0 | 0 | 0 | 117.9 | L46 L47 W48 L52 L53 P54 L203 | L46-F50 HydrophobicContact CD1-CE2 4.17Å; L46-F50 HydrophobicContact CG-CE2 4.32Å; L46-F50 VanDerWaalsContact O-CD2 3.3Å; L46-F50 WeakPolarHBondContact O-CD2 3.37Å; L46-F50 WeakPolarHBondContact O-CE2 3.33Å; L47-F50 PolarHBondContact O-N 3.49Å; L47-F50 VanDerWaalsContact O-N 3.11Å; W48-F50 PolarHBondContact O-N 3.19Å; F50-L52 PolarHBondContact O-N 2.85Å; F50-L53 HydrophobicContact CD1-CD1 3.98Å; F50-L53 PolarHBondContact O-N 3.37Å; F50-L53 VanDerWaalsContact O-N 3.1Å; F50-P54 WeakPolarHBondContact O-CD 3.45Å; F50-L203 HydrophobicContact CB-CD1 3.88Å |
| 51 | P | 96.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -40.1 | -165.6 | -26.3 | 35.4 | 0 | 0 | 0 | 114.7 | L47 W48 L53 P54 W76 M200 L203 M204 | L47-P51 VanDerWaalsContact O-CD 3.29Å; L47-P51 WeakPolarHBondContact O-CD 3.43Å; W48-P51 HydrophobicContact CE3-CG 4Å; W48-P51 HydrophobicContact CZ3-CG 4.38Å; W48-P51 VanDerWaalsContact O-CD 3.27Å; W48-P51 WeakPolarHBondContact O-CD 3.38Å; P51-L53 VanDerWaalsContact C-N 3.32Å; P51-L53 PolarHBondContact O-N 3.29Å; P51-P54 WeakPolarHBondContact O-CD 3.48Å; P51-W76 HydrophobicContact CB-CH2 4.36Å; P51-M200 HydrophobicContact CB-CG 4.27Å; P51-M200 WeakPolarHBondContact O-CA 2.94Å; P51-M200 WeakPolarHBondContact O-CB 3.42Å; P51-M200 WeakPolarHBondContact O-CG 3.29Å; P51-L203 HydrophobicContact CB-CB 4.2Å; P51-L203 HydrophobicContact CG-CB 3.97Å; P51-M204 HydrophobicContact CB-CG 3.66Å; P51-M204 HydrophobicContact CG-CG 4.13Å |
| 52 | L | 95.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -73.5 | -24.5 | -178 | -83.9 | 71.2 | 0 | 0 | 0 | 112.9 | F50 Q55 L56 W76 Q106 D107 I110 | F50-L52 PolarHBondContact O-N 2.85Å; L52-Q55 PolarHBondContact O-N 3.22Å; L52-Q55 VanDerWaalsContact O-N 3.07Å; L52-L56 HydrophobicContact CB-CD1 4.36Å; L52-L56 WeakPolarHBondContact O-CG 3.47Å; L52-L56 PolarHBondContact O-N 3.28Å; L52-W76 HydrophobicContact CD1-CE3 4.25Å; L52-W76 HydrophobicContact CD1-CH2 3.04Å; L52-W76 HydrophobicContact CD1-CZ2 3.49Å; L52-W76 VanDerWaalsContact CD1-CZ2 3.49Å; L52-W76 HydrophobicContact CD1-CZ3 3.45Å; L52-W76 VanDerWaalsContact CD1-CZ3 3.45Å; L52-W76 HydrophobicContact CG-CH2 4.18Å; L52-W76 HydrophobicContact CG-CZ3 4.15Å; L52-Q106 HydrophobicContact CD1-CG 4.47Å; L52-Q106 HydrophobicContact CD2-CB 3.85Å; L52-Q106 HydrophobicContact CD2-CG 3.84Å; L52-Q106 WeakPolarHBondContact CD2-O 3.35Å; L52-D107 WeakPolarHBondContact CD2-OD1 3.43Å; L52-I110 HydrophobicContact CD2-CB 4.15Å; L52-I110 HydrophobicContact CD2-CG2 3.61Å; L52-I110 HydrophobicContact CG-CD1 4.47Å |
| 53 | L | 96.1 | Very high | 95.7 | Very high | 81 Ų | 81 | 56.9 Ų | 56.9 | 42% | 0.424 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.4 | -46.7 | -173 | -55.5 | 179.4 | 0 | 0 | 0 | 112.3 | F50 P51 Q55 L56 Y57 | F50-L53 HydrophobicContact CD1-CD1 3.98Å; F50-L53 PolarHBondContact O-N 3.37Å; F50-L53 VanDerWaalsContact O-N 3.1Å; P51-L53 VanDerWaalsContact C-N 3.32Å; P51-L53 PolarHBondContact O-N 3.29Å; L53-Q55 VanDerWaalsContact C-N 3.3Å; L53-Q55 PolarHBondContact O-N 3.26Å; L53-L56 HydrophobicContact CD2-CD1 4.28Å; L53-L56 PolarHBondContact O-N 3.47Å; L53-Y57 WeakPolarHBondContact O-CB 3.16Å; L53-Y57 PolarHBondContact O-N 3.07Å |
| 54 | P | 97 | Very high | 95.5 | Very high | 30 Ų | 30 | 55.1 Ų | 55.1 | 20% | 0.195 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -55.3 | -40 | 171.4 | -27.5 | 33.3 | 0 | 0 | 0 | 114.1 | F50 P51 Y57 T58 S197 P199 L203 | F50-P54 WeakPolarHBondContact O-CD 3.45Å; P51-P54 WeakPolarHBondContact O-CD 3.48Å; P54-Y57 PolarHBondContact O-N 3.28Å; P54-T58 WeakPolarHBondContact O-CB 3.46Å; P54-T58 PolarHBondContact O-N 3.42Å; P54-T58 PolarHBondContact O-OG1 3.2Å; P54-S197 WeakPolarHBondContact CB-OG 3.26Å; P54-S197 PolarHBondContact O-OG 2.93Å; P54-P199 HydrophobicContact CB-CB 3.97Å; P54-P199 HydrophobicContact CG-CB 3.98Å; P54-L203 HydrophobicContact CG-CD1 4.25Å |
| 55 | Q | 97.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -73.5 | -42 | -179.1 | -175 | 66.1 | 54.8 | 0 | 0 | 111.9 | L52 L53 Y57 T58 N59 I68 I110 G195 M200 | L52-Q55 PolarHBondContact O-N 3.22Å; L52-Q55 VanDerWaalsContact O-N 3.07Å; L53-Q55 VanDerWaalsContact C-N 3.3Å; L53-Q55 PolarHBondContact O-N 3.26Å; Q55-Y57 PolarHBondContact O-N 3.25Å; Q55-T58 PolarHBondContact O-N 3.03Å; Q55-N59 PolarHBondContact NE2-OD1 3.49Å; Q55-N59 WeakPolarHBondContact O-CB 3.42Å; Q55-N59 PolarHBondContact O-N 3.49Å; Q55-N59 PolarHBondContact O-ND2 3.16Å; Q55-I68 HydrophobicContact CG-CD1 3.72Å; Q55-I110 HydrophobicContact CB-CD1 4.06Å; Q55-I110 HydrophobicContact CG-CD1 3.68Å; Q55-G195 PolarHBondContact NE2-O 2.98Å; Q55-M200 HydrophobicContact CB-SD 3.62Å; Q55-M200 HydrophobicContact CG-SD 4.07Å |
| 56 | L | 97.1 | Very high | 94.7 | Very high | 34 Ų | 34 | 59.6 Ų | 59.6 | 18% | 0.178 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -54.8 | -43.9 | 172.2 | -78.5 | 165.8 | 0 | 0 | 0 | 110.8 | L52 L53 Y60 I110 Q113 | L52-L56 HydrophobicContact CB-CD1 4.36Å; L52-L56 WeakPolarHBondContact O-CG 3.47Å; L52-L56 PolarHBondContact O-N 3.28Å; L53-L56 HydrophobicContact CD2-CD1 4.28Å; L53-L56 PolarHBondContact O-N 3.47Å; L56-Y60 WeakPolarHBondContact O-CB 3.37Å; L56-Y60 PolarHBondContact O-N 2.99Å; L56-I110 HydrophobicContact CD2-CB 3.84Å; L56-I110 HydrophobicContact CD2-CG1 4.09Å; L56-I110 HydrophobicContact CG-CB 4.33Å; L56-I110 HydrophobicContact CG-CG1 4.46Å; L56-Q113 HydrophobicContact CD2-CB 4.31Å; L56-Q113 PolarHBondContact O-NE2 2.86Å |
| 57 | Y | 97 | Very high | 94.3 | Very high | 129 Ų | 129 | 54.5 Ų | 54.5 | 51% | 0.506 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -67.2 | -44.5 | 176.9 | -178.9 | -106.4 | 0 | 0 | 0 | 112.9 | L53 P54 Q55 N59 Y60 K61 | L53-Y57 WeakPolarHBondContact O-CB 3.16Å; L53-Y57 PolarHBondContact O-N 3.07Å; P54-Y57 PolarHBondContact O-N 3.28Å; Q55-Y57 PolarHBondContact O-N 3.25Å; Y57-N59 PolarHBondContact O-N 3.41Å; Y57-Y60 WeakPolarHBondContact O-CB 3.11Å; Y57-Y60 PolarHBondContact O-N 2.99Å; Y57-K61 HydrophobicContact CD1-CD 4.34Å; Y57-K61 HydrophobicContact CE1-CD 3.64Å; Y57-K61 HydrophobicContact CE1-CG 4.23Å; Y57-K61 HydrophobicContact CE2-CG 4.46Å; Y57-K61 PolarHBondContact O-N 2.87Å; Y57-K61 WeakPolarHBondContact OH-CE 3.38Å; Y57-K61 PolarHBondContact OH-NZ 2.99Å |
| 58 | T | 96.4 | Very high | 94 | Very high | 33 Ų | 33 | 52.9 Ų | 52.9 | 20% | 0.202 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.4 | -45.8 | 176.5 | -66.7 | 0 | 0 | 0 | 0 | 111.5 | P54 Q55 Y60 K61 R62 S197 | P54-T58 WeakPolarHBondContact O-CB 3.46Å; P54-T58 PolarHBondContact O-N 3.42Å; P54-T58 PolarHBondContact O-OG1 3.2Å; Q55-T58 PolarHBondContact O-N 3.03Å; T58-Y60 VanDerWaalsContact C-N 3.33Å; T58-Y60 PolarHBondContact O-N 3.39Å; T58-K61 PolarHBondContact O-N 2.82Å; T58-R62 HydrophobicContact CG2-CG 4.41Å; T58-R62 WeakPolarHBondContact O-CB 3.46Å; T58-R62 VanDerWaalsContact O-CG 3.3Å; T58-R62 WeakPolarHBondContact O-CG 3.3Å; T58-R62 PolarHBondContact O-N 3.42Å; T58-S197 PolarHBondContact OG1-OG 3.35Å |
| 59 | N | 95.6 | Very high | 93.8 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.2 | -44.1 | 175.9 | -70.6 | -15.3 | 0 | 0 | 0 | 111.3 | Q55 Y57 R62 G63 Q64 C65 Q113 | Q55-N59 PolarHBondContact NE2-OD1 3.49Å; Q55-N59 WeakPolarHBondContact O-CB 3.42Å; Q55-N59 PolarHBondContact O-N 3.49Å; Q55-N59 PolarHBondContact O-ND2 3.16Å; Y57-N59 PolarHBondContact O-N 3.41Å; N59-R62 PolarHBondContact O-N 3.02Å; N59-G63 PolarHBondContact O-N 2.94Å; N59-Q64 PolarHBondContact O-N 2.97Å; N59-C65 VanDerWaalsContact CG-SG 3.54Å; N59-Q113 PolarHBondContact ND2-OE1 3.32Å |
| 60 | Y | 95.8 | Very high | 93.6 | Very high | 157 Ų | 157 | 50.2 Ų | 50.2 | 62% | 0.616 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -59.5 | -50.1 | 177 | 172.7 | -99.8 | 0 | 0 | 0 | 111.8 | L56 Y57 T58 R62 G63 Y117 | L56-Y60 WeakPolarHBondContact O-CB 3.37Å; L56-Y60 PolarHBondContact O-N 2.99Å; Y57-Y60 WeakPolarHBondContact O-CB 3.11Å; Y57-Y60 PolarHBondContact O-N 2.99Å; T58-Y60 VanDerWaalsContact C-N 3.33Å; T58-Y60 PolarHBondContact O-N 3.39Å; Y60-R62 VanDerWaalsContact C-N 3.34Å; Y60-R62 PolarHBondContact O-N 2.87Å; Y60-G63 PolarHBondContact O-N 3.41Å; Y60-Y117 WeakPolarHBondContact CA-OH 3.3Å |
| 61 | K | 95.8 | Very high | 93.4 | Very high | 141 Ų | 141 | 52.5 Ų | 52.5 | 61% | 0.613 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -60.9 | -40.3 | 178.1 | -86.2 | -164.1 | 162.5 | 172.2 | 0 | 113.3 | Y57 T58 | Y57-K61 HydrophobicContact CD1-CD 4.34Å; Y57-K61 HydrophobicContact CE1-CD 3.64Å; Y57-K61 HydrophobicContact CE1-CG 4.23Å; Y57-K61 HydrophobicContact CE2-CG 4.46Å; Y57-K61 PolarHBondContact O-N 2.87Å; Y57-K61 WeakPolarHBondContact OH-CE 3.38Å; Y57-K61 PolarHBondContact OH-NZ 2.99Å; T58-K61 PolarHBondContact O-N 2.82Å |
| 62 | R | 92.3 | Very high | 93.1 | Very high | 80 Ų | 80 | 52.5 Ų | 52.5 | 30% | 0.302 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -78.4 | -23.7 | -179.2 | -68.8 | 178.2 | 67.5 | 113.8 | 3 | 112.8 | T58 N59 Y60 Q64 E194 G195 | T58-R62 HydrophobicContact CG2-CG 4.41Å; T58-R62 WeakPolarHBondContact O-CB 3.46Å; T58-R62 VanDerWaalsContact O-CG 3.3Å; T58-R62 WeakPolarHBondContact O-CG 3.3Å; T58-R62 PolarHBondContact O-N 3.42Å; N59-R62 PolarHBondContact O-N 3.02Å; Y60-R62 VanDerWaalsContact C-N 3.34Å; Y60-R62 PolarHBondContact O-N 2.87Å; R62-Q64 HydrophobicContact CB-CG 3.82Å; R62-Q64 PolarHBondContact O-N 3.47Å; R62-E194 IonicContact CZ-OE1 3.51Å; R62-E194 IonicContact NH1-OE1 3.92Å; R62-E194 PolarHBondContact NH1-OE1 3.04Å; R62-E194 IonicContact NH2-OE1 2.9Å; R62-E194 PolarHBondContact NH2-OE1 3.4Å; R62-G195 VanDerWaalsContact NH1-CA 3.32Å; R62-G195 VanDerWaalsContact NH1-N 3.1Å |
| 63 | G | 92.5 | Very high | 93 | Very high | 20 Ų | 20 | 52.7 Ų | 52.7 | 21% | 0.206 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.1 | 21.2 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | N59 Y60 Y117 N121 | N59-G63 PolarHBondContact O-N 2.94Å; Y60-G63 PolarHBondContact O-N 3.41Å; G63-Y117 WeakPolarHBondContact O-CD1 3.21Å; G63-N121 PolarHBondContact O-ND2 3.07Å |
| 64 | Q | 91.9 | Very high | 92.8 | Very high | 52 Ų | 52 | 52.3 Ų | 52.3 | 24% | 0.243 | 24% | 0.242 | C | C | . | . | trans | -161.4 | 162.3 | -175.3 | 59 | -178.9 | -47.9 | 0 | 0 | 111.8 | N59 R62 E66 N121 | N59-Q64 PolarHBondContact O-N 2.97Å; R62-Q64 HydrophobicContact CB-CG 3.82Å; R62-Q64 PolarHBondContact O-N 3.47Å; Q64-E66 PolarHBondContact OE1-OE2 3.2Å; Q64-N121 WeakPolarHBondContact CB-ND2 3.42Å | ||
| 65 | C | 88.8 | Confident | 92.5 | Very high | 10 Ų | 10 | 52.2 Ų | 52.2 | 7% | 0.068 | 24% | 0.241 | C | C | . | . | trans | -127.5 | 33.3 | -175.6 | -59.5 | 0 | 0 | 0 | 0 | 113.3 | N59 G67 I68 Y114 | N59-C65 VanDerWaalsContact CG-SG 3.54Å; C65-G67 VanDerWaalsContact C-N 3.3Å; C65-G67 PolarHBondContact O-N 3.46Å; C65-I68 HydrophobicContact CB-CG2 4.29Å; C65-Y114 HydrophobicContact CB-CD2 3.42Å; C65-Y114 VanDerWaalsContact CB-CD2 3.42Å; C65-Y114 HydrophobicContact CB-CE2 3.83Å; C65-Y114 HydrophobicContact CB-CG 4.27Å | ||
| 66 | E | 84.8 | Confident | 92.3 | Very high | 144 Ų | 144 | 52.4 Ų | 52.4 | 67% | 0.673 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -70 | -22.5 | -173.4 | -62.8 | -170 | 162.2 | 0 | 0 | 114.5 | Q64 R190 | Q64-E66 PolarHBondContact OE1-OE2 3.2Å; E66-R190 PolarHBondContact O-NH1 3.01Å |
| 67 | G | 85.6 | Confident | 92.1 | Very high | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -77.1 | -37.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | C65 Q183 R190 E194 I196 | C65-G67 VanDerWaalsContact C-N 3.3Å; C65-G67 PolarHBondContact O-N 3.46Å; G67-Q183 PolarHBondContact O-NE2 3.42Å; G67-Q183 VanDerWaalsContact O-NE2 3.13Å; G67-R190 PolarHBondContact O-NH1 2.85Å; G67-R190 PolarHBondContact O-NH2 3.35Å; G67-E194 WeakPolarHBondContact CA-O 3Å; G67-I196 WeakPolarHBondContact O-CD1 3.45Å; G67-I196 WeakPolarHBondContact O-CG1 3.36Å |
| 68 | I | 91.1 | Very high | 91.9 | Very high | 5 Ų | 5 | 51 Ų | 51 | 3% | 0.026 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -92.4 | 133.6 | -174.2 | -164.6 | 157.5 | 0 | 0 | 0 | 111.5 | Q55 C65 F72 L73 I110 Y114 M200 | Q55-I68 HydrophobicContact CG-CD1 3.72Å; C65-I68 HydrophobicContact CB-CG2 4.29Å; I68-F72 HydrophobicContact CD1-CD1 4.09Å; I68-F72 HydrophobicContact CD1-CE1 4.27Å; I68-F72 HydrophobicContact CG1-CD1 4.13Å; I68-L73 HydrophobicContact CD1-CD2 3.67Å; I68-L73 HydrophobicContact CD1-CG 4.28Å; I68-L73 HydrophobicContact CG1-CD2 4.17Å; I68-L73 HydrophobicContact CG1-CG 4.26Å; I68-L73 HydrophobicContact CG2-CD1 4.28Å; I68-I110 HydrophobicContact CD1-CD1 4.38Å; I68-Y114 HydrophobicContact CG2-CD2 4.29Å; I68-M200 HydrophobicContact CD1-CE 3.94Å; I68-M200 HydrophobicContact CD1-SD 4.38Å |
| 69 | S | 91.7 | Very high | 91.8 | Very high | 11 Ų | 11 | 49.4 Ų | 49.4 | 8% | 0.077 | 23% | 0.231 | C | C | . | . | trans | -73.3 | 127.9 | 178.3 | 177.3 | 0 | 0 | 0 | 0 | 110.2 | Y71 F72 L73 | S69-Y71 PolarHBondContact O-N 3.04Å; S69-Y71 PolarHBondContact OG-N 2.92Å; S69-F72 WeakPolarHBondContact O-CB 3.34Å; S69-F72 PolarHBondContact O-N 3.44Å; S69-F72 VanDerWaalsContact O-N 3.14Å; S69-L73 PolarHBondContact O-N 2.98Å | ||
| 70 | V | 90.2 | Very high | 91.7 | Very high | 32 Ų | 32 | 49.5 Ų | 49.5 | 19% | 0.194 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.4 | -32 | 173.2 | 69 | 0 | 0 | 0 | 0 | 111.6 | F72 L73 L74 Y114 | V70-F72 VanDerWaalsContact C-N 3.33Å; V70-L73 PolarHBondContact O-N 2.71Å; V70-L74 HydrophobicContact CG2-CD1 4.11Å; V70-L74 HydrophobicContact CG2-CG 4.26Å; V70-L74 WeakPolarHBondContact O-CB 3.29Å; V70-L74 VanDerWaalsContact O-CG 3.29Å; V70-L74 WeakPolarHBondContact O-CG 3.25Å; V70-L74 PolarHBondContact O-N 3.27Å; V70-Y114 HydrophobicContact CB-CD1 4.46Å; V70-Y114 HydrophobicContact CB-CE1 3.8Å; V70-Y114 HydrophobicContact CB-CE2 4.2Å; V70-Y114 HydrophobicContact CG2-CD1 4Å; V70-Y114 HydrophobicContact CG2-CE1 3.67Å |
| 71 | Y | 91.3 | Very high | 91.7 | Very high | 141 Ų | 141 | 43.7 Ų | 43.7 | 55% | 0.553 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -69.6 | -33 | 177.8 | -58.4 | -67.9 | 0 | 0 | 0 | 111.9 | S69 C75 P182 | S69-Y71 PolarHBondContact O-N 3.04Å; S69-Y71 PolarHBondContact OG-N 2.92Å; Y71-C75 VanDerWaalsContact O-CB 3.28Å; Y71-C75 WeakPolarHBondContact O-CB 3.39Å; Y71-C75 PolarHBondContact O-N 2.94Å; Y71-C75 PolarHBondContact O-SG 3.1Å; Y71-P182 HydrophobicContact CD2-CB 4.41Å |
| 72 | F | 91.6 | Very high | 91.5 | Very high | 1 Ų | 1 | 39.1 Ų | 39.1 | 0% | 0.004 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61 | -48.3 | 171.2 | 171.2 | -100.4 | 0 | 0 | 0 | 110.3 | I68 S69 V70 C75 W76 G179 R180 Q183 M200 F201 M204 | I68-F72 HydrophobicContact CD1-CD1 4.09Å; I68-F72 HydrophobicContact CD1-CE1 4.27Å; I68-F72 HydrophobicContact CG1-CD1 4.13Å; S69-F72 WeakPolarHBondContact O-CB 3.34Å; S69-F72 PolarHBondContact O-N 3.44Å; S69-F72 VanDerWaalsContact O-N 3.14Å; V70-F72 VanDerWaalsContact C-N 3.33Å; F72-C75 PolarHBondContact O-N 2.94Å; F72-W76 HydrophobicContact CD1-CE3 4.41Å; F72-W76 AromaticContact CE1-CE3 3.48Å; F72-W76 HydrophobicContact CE1-CE3 3.48Å; F72-W76 VanDerWaalsContact CE1-CE3 3.48Å; F72-W76 AromaticContact CE1-CZ3 3.67Å; F72-W76 HydrophobicContact CE1-CZ3 3.67Å; F72-W76 HydrophobicContact CE2-CE3 4.5Å; F72-W76 HydrophobicContact CZ-CD2 4.42Å; F72-W76 AromaticContact CZ-CE3 3.53Å; F72-W76 HydrophobicContact CZ-CE3 3.53Å; F72-W76 AromaticContact CZ-CZ3 3.67Å; F72-W76 HydrophobicContact CZ-CZ3 3.67Å; F72-W76 WeakPolarHBondContact O-CB 3.42Å; F72-W76 PolarHBondContact O-N 2.76Å; F72-G179 WeakPolarHBondContact CA-O 3.34Å; F72-G179 WeakPolarHBondContact CB-O 3.46Å; F72-G179 WeakPolarHBondContact CD2-O 3.28Å; F72-R180 HydrophobicContact CD2-CG 4.36Å; F72-R180 HydrophobicContact CE2-CG 4.01Å; F72-Q183 HydrophobicContact CB-CB 4.19Å; F72-Q183 HydrophobicContact CD2-CB 4.33Å; F72-Q183 HydrophobicContact CG-CB 4.36Å; F72-M200 HydrophobicContact CE1-CE 3.85Å; F72-M200 HydrophobicContact CZ-CE 4.27Å; F72-F201 HydrophobicContact CZ-CE1 4.49Å; F72-F201 HydrophobicContact CZ-CZ 4.28Å; F72-M204 HydrophobicContact CZ-CE 4.07Å; F72-M204 HydrophobicContact CZ-SD 4.06Å |
| 73 | L | 92.6 | Very high | 91.4 | Very high | 3 Ų | 3 | 37.1 Ų | 37.1 | 2% | 0.016 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64 | -43.3 | 179 | -60.3 | -179.5 | 0 | 0 | 0 | 113 | I68 S69 V70 W76 F77 I110 L111 Y114 | I68-L73 HydrophobicContact CD1-CD2 3.67Å; I68-L73 HydrophobicContact CD1-CG 4.28Å; I68-L73 HydrophobicContact CG1-CD2 4.17Å; I68-L73 HydrophobicContact CG1-CG 4.26Å; I68-L73 HydrophobicContact CG2-CD1 4.28Å; S69-L73 PolarHBondContact O-N 2.98Å; V70-L73 PolarHBondContact O-N 2.71Å; L73-W76 PolarHBondContact O-N 2.94Å; L73-F77 PolarHBondContact O-N 3.27Å; L73-I110 HydrophobicContact CD1-CG1 4.23Å; L73-I110 HydrophobicContact CD1-CG2 4.48Å; L73-I110 HydrophobicContact CD2-CD1 3.94Å; L73-I110 HydrophobicContact CD2-CG1 4.24Å; L73-I110 HydrophobicContact CD2-CG2 3.89Å; L73-L111 HydrophobicContact CB-CD2 3.62Å; L73-L111 HydrophobicContact CB-CG 4.22Å; L73-L111 HydrophobicContact CD1-CD2 4.4Å; L73-Y114 HydrophobicContact CD1-CD2 4.19Å; L73-Y114 HydrophobicContact CD1-CG 4.38Å |
| 74 | L | 92.1 | Very high | 91.4 | Very high | 74 Ų | 74 | 37.2 Ų | 37.2 | 39% | 0.387 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -66.4 | -43.8 | 179.2 | -71.9 | 172.2 | 0 | 0 | 0 | 111.9 | V70 W76 F77 L78 L111 | V70-L74 HydrophobicContact CG2-CD1 4.11Å; V70-L74 HydrophobicContact CG2-CG 4.26Å; V70-L74 WeakPolarHBondContact O-CB 3.29Å; V70-L74 VanDerWaalsContact O-CG 3.29Å; V70-L74 WeakPolarHBondContact O-CG 3.25Å; V70-L74 PolarHBondContact O-N 3.27Å; L74-W76 VanDerWaalsContact C-N 3.3Å; L74-W76 PolarHBondContact O-N 3.14Å; L74-F77 PolarHBondContact O-N 3.29Å; L74-L78 WeakPolarHBondContact O-CB 3.47Å; L74-L78 VanDerWaalsContact O-CG 3.28Å; L74-L78 WeakPolarHBondContact O-CG 3.28Å; L74-L78 PolarHBondContact O-N 3.28Å; L74-L111 HydrophobicContact CD2-CD1 4.36Å; L74-L111 HydrophobicContact CD2-CD2 3.9Å; L74-L111 HydrophobicContact CG-CD2 4.24Å |
| 75 | C | 91.5 | Very high | 91.3 | Very high | 27 Ų | 27 | 36.2 Ų | 36.2 | 18% | 0.182 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.6 | -39.1 | 175.6 | -74.1 | 0 | 0 | 0 | 0 | 111.2 | Y71 F72 L78 G79 F175 G179 | Y71-C75 VanDerWaalsContact O-CB 3.28Å; Y71-C75 WeakPolarHBondContact O-CB 3.39Å; Y71-C75 PolarHBondContact O-N 2.94Å; Y71-C75 PolarHBondContact O-SG 3.1Å; F72-C75 PolarHBondContact O-N 2.94Å; C75-L78 PolarHBondContact O-N 3.13Å; C75-G79 PolarHBondContact O-N 3.4Å; C75-F175 HydrophobicContact CB-CD1 4.2Å; C75-F175 WeakPolarHBondContact CB-O 3.4Å; C75-F175 WeakPolarHBondContact O-CB 3.44Å; C75-G179 VanDerWaalsContact CB-CA 3.49Å |
| 76 | W | 92.3 | Very high | 91.2 | Very high | 5 Ų | 5 | 35.9 Ų | 35.9 | 2% | 0.019 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.4 | -49.8 | 177.3 | -158.7 | -13 | 0 | 0 | 0 | 111.6 | W48 P51 L52 F72 L73 L74 L78 G79 D80 D107 Y176 M200 M204 | W48-W76 AromaticContact CZ3-CZ2 3.69Å; W48-W76 HydrophobicContact CZ3-CZ2 3.69Å; P51-W76 HydrophobicContact CB-CH2 4.36Å; L52-W76 HydrophobicContact CD1-CE3 4.25Å; L52-W76 HydrophobicContact CD1-CH2 3.04Å; L52-W76 HydrophobicContact CD1-CZ2 3.49Å; L52-W76 VanDerWaalsContact CD1-CZ2 3.49Å; L52-W76 HydrophobicContact CD1-CZ3 3.45Å; L52-W76 VanDerWaalsContact CD1-CZ3 3.45Å; L52-W76 HydrophobicContact CG-CH2 4.18Å; L52-W76 HydrophobicContact CG-CZ3 4.15Å; F72-W76 HydrophobicContact CD1-CE3 4.41Å; F72-W76 AromaticContact CE1-CE3 3.48Å; F72-W76 HydrophobicContact CE1-CE3 3.48Å; F72-W76 VanDerWaalsContact CE1-CE3 3.48Å; F72-W76 AromaticContact CE1-CZ3 3.67Å; F72-W76 HydrophobicContact CE1-CZ3 3.67Å; F72-W76 HydrophobicContact CE2-CE3 4.5Å; F72-W76 HydrophobicContact CZ-CD2 4.42Å; F72-W76 AromaticContact CZ-CE3 3.53Å; F72-W76 HydrophobicContact CZ-CE3 3.53Å; F72-W76 AromaticContact CZ-CZ3 3.67Å; F72-W76 HydrophobicContact CZ-CZ3 3.67Å; F72-W76 WeakPolarHBondContact O-CB 3.42Å; F72-W76 PolarHBondContact O-N 2.76Å; L73-W76 PolarHBondContact O-N 2.94Å; L74-W76 VanDerWaalsContact C-N 3.3Å; L74-W76 PolarHBondContact O-N 3.14Å; W76-L78 VanDerWaalsContact C-N 3.32Å; W76-L78 PolarHBondContact O-N 3.1Å; W76-G79 WeakPolarHBondContact O-CA 3.35Å; W76-G79 PolarHBondContact O-N 3.35Å; W76-D80 VanDerWaalsContact CD1-OD2 3.26Å; W76-D80 PolarHBondContact NE1-OD2 3.48Å; W76-D80 PolarHBondContact O-N 3.11Å; W76-D107 VanDerWaalsContact C-OD2 3.32Å; W76-Y176 AromaticContact CD1-CE1 3.89Å; W76-M200 HydrophobicContact CZ3-SD 4.31Å; W76-M204 HydrophobicContact CH2-CG 3.96Å; W76-M204 HydrophobicContact CH2-SD 3.21Å; W76-M204 WeakPolarHBondContact CH2-SD 3.44Å; W76-M204 HydrophobicContact CZ2-CG 4.49Å; W76-M204 HydrophobicContact CZ2-SD 3.95Å; W76-M204 HydrophobicContact CZ3-SD 3.6Å; W76-M204 VanDerWaalsContact CZ3-SD 3.6Å |
| 77 | F | 94 | Very high | 91.3 | Very high | 57 Ų | 57 | 29 Ų | 29 | 25% | 0.25 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -55.9 | -43.7 | 175 | 177.1 | -93.3 | 0 | 0 | 0 | 113.1 | L73 L74 S81 I104 D107 L111 | L73-F77 PolarHBondContact O-N 3.27Å; L74-F77 PolarHBondContact O-N 3.29Å; F77-S81 VanDerWaalsContact O-CB 3.3Å; F77-S81 WeakPolarHBondContact O-CB 3.17Å; F77-S81 PolarHBondContact O-N 3Å; F77-S81 PolarHBondContact O-OG 3.49Å; F77-I104 HydrophobicContact CE2-CG2 3.82Å; F77-I104 HydrophobicContact CZ-CG2 4.47Å; F77-D107 WeakPolarHBondContact CA-OD2 3.37Å; F77-D107 HydrophobicContact CB-CB 4.07Å; F77-D107 HydrophobicContact CD2-CB 3.76Å; F77-D107 HydrophobicContact CG-CB 4.42Å; F77-D107 PolarHBondContact N-OD2 2.93Å; F77-D107 VanDerWaalsContact N-OD2 3.14Å; F77-L111 HydrophobicContact CB-CD1 3.78Å; F77-L111 HydrophobicContact CD2-CD1 4.1Å; F77-L111 HydrophobicContact CG-CD1 3.91Å |
| 78 | L | 92.7 | Very high | 91.4 | Very high | 76 Ų | 76 | 33.5 Ų | 33.5 | 40% | 0.398 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -66.7 | -40.7 | 176.9 | -72 | 172.8 | 0 | 0 | 0 | 111.6 | L74 C75 W76 S81 L82 F175 | L74-L78 WeakPolarHBondContact O-CB 3.47Å; L74-L78 VanDerWaalsContact O-CG 3.28Å; L74-L78 WeakPolarHBondContact O-CG 3.28Å; L74-L78 PolarHBondContact O-N 3.28Å; C75-L78 PolarHBondContact O-N 3.13Å; W76-L78 VanDerWaalsContact C-N 3.32Å; W76-L78 PolarHBondContact O-N 3.1Å; L78-S81 PolarHBondContact O-N 3.36Å; L78-L82 WeakPolarHBondContact O-CB 3.37Å; L78-L82 VanDerWaalsContact O-CG 3.3Å; L78-L82 WeakPolarHBondContact O-CG 3.49Å; L78-L82 PolarHBondContact O-N 2.87Å; L78-F175 HydrophobicContact CB-CD1 4.04Å; L78-F175 HydrophobicContact CB-CD2 4.37Å; L78-F175 HydrophobicContact CB-CE1 4.16Å; L78-F175 HydrophobicContact CB-CE2 4.49Å; L78-F175 HydrophobicContact CB-CG 4.16Å; L78-F175 HydrophobicContact CB-CZ 4.39Å; L78-F175 HydrophobicContact CD1-CD1 4.21Å; L78-F175 HydrophobicContact CD1-CE1 3.68Å; L78-F175 HydrophobicContact CD1-CZ 4.09Å |
| 79 | G | 93.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.4 | -46.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | C75 W76 L82 N83 S172 Y176 | C75-G79 PolarHBondContact O-N 3.4Å; W76-G79 WeakPolarHBondContact O-CA 3.35Å; W76-G79 PolarHBondContact O-N 3.35Å; G79-L82 PolarHBondContact O-N 3.49Å; G79-N83 WeakPolarHBondContact O-CB 3.39Å; G79-N83 PolarHBondContact O-N 3.28Å; G79-S172 WeakPolarHBondContact O-CB 3.01Å; G79-S172 PolarHBondContact O-OG 3.37Å; G79-Y176 VanDerWaalsContact C-CE1 3.5Å; G79-Y176 PolarHBondContact O-OH 2.89Å |
| 80 | D | 94.8 | Very high | 90.5 | Very high | 3 Ų | 3 | 36.8 Ų | 36.8 | 2% | 0.016 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -70.5 | -36.6 | 179.2 | -73.9 | -21.6 | 0 | 0 | 0 | 112.4 | W76 N83 L84 Y103 I104 D107 Y176 | W76-D80 VanDerWaalsContact CD1-OD2 3.26Å; W76-D80 PolarHBondContact NE1-OD2 3.48Å; W76-D80 PolarHBondContact O-N 3.11Å; D80-N83 PolarHBondContact O-N 2.97Å; D80-L84 WeakPolarHBondContact O-CB 3.18Å; D80-L84 PolarHBondContact O-N 2.98Å; D80-Y103 WeakPolarHBondContact OD2-CB 3.08Å; D80-I104 HydrophobicContact CB-CG1 4.29Å; D80-D107 VanDerWaalsContact OD2-OD2 3.09Å; D80-Y176 WeakPolarHBondContact OD1-CE1 3.38Å; D80-Y176 VanDerWaalsContact OD1-CZ 3.22Å; D80-Y176 PolarHBondContact OD1-OH 3.46Å |
| 81 | S | 94.3 | Very high | 90 | Very high | 34 Ų | 34 | 43.7 Ų | 43.7 | 24% | 0.238 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.1 | -45.4 | 172.6 | -61.8 | 0 | 0 | 0 | 0 | 112 | F77 L78 A85 | F77-S81 VanDerWaalsContact O-CB 3.3Å; F77-S81 WeakPolarHBondContact O-CB 3.17Å; F77-S81 PolarHBondContact O-N 3Å; F77-S81 PolarHBondContact O-OG 3.49Å; L78-S81 PolarHBondContact O-N 3.36Å; S81-A85 WeakPolarHBondContact O-CB 3.23Å; S81-A85 PolarHBondContact O-N 2.96Å |
| 82 | L | 92.7 | Very high | 89.5 | Confident | 45 Ų | 45 | 39 Ų | 39 | 24% | 0.236 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -68.7 | -38.2 | 177.5 | -72.7 | 165.9 | 0 | 0 | 0 | 112 | L78 G79 A85 G86 A171 F175 | L78-L82 WeakPolarHBondContact O-CB 3.37Å; L78-L82 VanDerWaalsContact O-CG 3.3Å; L78-L82 WeakPolarHBondContact O-CG 3.49Å; L78-L82 PolarHBondContact O-N 2.87Å; G79-L82 PolarHBondContact O-N 3.49Å; L82-A85 PolarHBondContact O-N 2.98Å; L82-G86 PolarHBondContact O-N 3.08Å; L82-A171 HydrophobicContact CD1-CB 3.96Å; L82-F175 HydrophobicContact CD1-CD2 3.43Å; L82-F175 VanDerWaalsContact CD1-CD2 3.43Å; L82-F175 HydrophobicContact CD1-CE2 3.47Å; L82-F175 VanDerWaalsContact CD1-CE2 3.47Å |
| 83 | N | 89.9 | Confident | 88.9 | Confident | 39 Ų | 39 | 41.1 Ų | 41.1 | 21% | 0.209 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.6 | -48.9 | 176.6 | -164.2 | -29.6 | 0 | 0 | 0 | 110.9 | G79 D80 A85 G86 A87 Y176 | G79-N83 WeakPolarHBondContact O-CB 3.39Å; G79-N83 PolarHBondContact O-N 3.28Å; D80-N83 PolarHBondContact O-N 2.97Å; N83-A85 PolarHBondContact O-N 3.5Å; N83-G86 PolarHBondContact O-N 3.31Å; N83-A87 WeakPolarHBondContact O-CB 3.41Å; N83-A87 PolarHBondContact O-N 2.86Å; N83-Y176 WeakPolarHBondContact CB-OH 3.26Å; N83-Y176 PolarHBondContact ND2-OH 2.82Å; N83-Y176 VanDerWaalsContact ND2-OH 3.12Å |
| 84 | L | 92.1 | Very high | 88.3 | Confident | 21 Ų | 21 | 43.3 Ų | 43.3 | 11% | 0.11 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.9 | -42.6 | 176.3 | -179.6 | 61.9 | 0 | 0 | 0 | 112 | D80 G86 A87 L88 I97 I101 I104 | D80-L84 WeakPolarHBondContact O-CB 3.18Å; D80-L84 PolarHBondContact O-N 2.98Å; L84-G86 VanDerWaalsContact C-N 3.33Å; L84-G86 PolarHBondContact O-N 3.03Å; L84-A87 PolarHBondContact O-N 2.99Å; L84-L88 HydrophobicContact CD1-CD1 4.31Å; L84-L88 HydrophobicContact CD1-CG 4.25Å; L84-L88 HydrophobicContact CG-CD1 4.08Å; L84-L88 HydrophobicContact CG-CG 4.46Å; L84-L88 WeakPolarHBondContact O-CG 3.36Å; L84-L88 PolarHBondContact O-N 2.66Å; L84-I97 HydrophobicContact CD1-CB 4.49Å; L84-I97 HydrophobicContact CD1-CG2 4.1Å; L84-I101 HydrophobicContact CD1-CG1 4.22Å; L84-I101 HydrophobicContact CD2-CG1 3.83Å; L84-I104 HydrophobicContact CB-CD1 4.12Å; L84-I104 HydrophobicContact CD2-CD1 3.46Å; L84-I104 VanDerWaalsContact CD2-CD1 3.46Å; L84-I104 HydrophobicContact CG-CD1 4.43Å |
| 85 | A | 89.7 | Confident | 87.9 | Confident | 31 Ų | 31 | 41.9 Ų | 41.9 | 26% | 0.256 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -60.2 | -44.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | S81 L82 N83 L88 L89 M168 | S81-A85 WeakPolarHBondContact O-CB 3.23Å; S81-A85 PolarHBondContact O-N 2.96Å; L82-A85 PolarHBondContact O-N 2.98Å; N83-A85 PolarHBondContact O-N 3.5Å; A85-L88 PolarHBondContact O-N 3.1Å; A85-L89 WeakPolarHBondContact O-CB 2.96Å; A85-L89 VanDerWaalsContact O-CG 3.26Å; A85-L89 WeakPolarHBondContact O-CG 3.44Å; A85-L89 PolarHBondContact O-N 3.34Å; A85-M168 HydrophobicContact CB-CE 4.13Å; A85-M168 HydrophobicContact CB-SD 3.59Å; A85-M168 VanDerWaalsContact CB-SD 3.59Å |
| 86 | G | 86.2 | Confident | 87.5 | Confident | 3 Ų | 3 | 44.3 Ų | 44.3 | 3% | 0.031 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.5 | -43.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L82 N83 L84 L88 L89 S90 M168 | L82-G86 PolarHBondContact O-N 3.08Å; N83-G86 PolarHBondContact O-N 3.31Å; L84-G86 VanDerWaalsContact C-N 3.33Å; L84-G86 PolarHBondContact O-N 3.03Å; G86-L88 PolarHBondContact O-N 3.45Å; G86-L89 PolarHBondContact O-N 3.07Å; G86-S90 WeakPolarHBondContact O-CB 3.02Å; G86-S90 PolarHBondContact O-N 3.44Å; G86-S90 PolarHBondContact O-OG 3.08Å; G86-M168 PolarHBondContact N-SD 3.12Å; G86-M168 VanDerWaalsContact N-SD 3.39Å |
| 87 | A | 87.4 | Confident | 87.3 | Confident | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.008 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.4 | -41.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | N83 L84 K91 Q92 | N83-A87 WeakPolarHBondContact O-CB 3.41Å; N83-A87 PolarHBondContact O-N 2.86Å; L84-A87 PolarHBondContact O-N 2.99Å; A87-K91 PolarHBondContact O-N 3.39Å; A87-Q92 HydrophobicContact CB-CB 4Å; A87-Q92 HydrophobicContact CB-CG 4.31Å; A87-Q92 WeakPolarHBondContact O-CB 3.33Å; A87-Q92 PolarHBondContact O-N 3.32Å |
| 88 | L | 88.2 | Confident | 87.2 | Confident | 95 Ų | 95 | 49.3 Ų | 49.3 | 50% | 0.497 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -67.1 | -43.2 | 176.4 | -72 | 169.9 | 0 | 0 | 0 | 112.1 | L84 A85 G86 K91 I97 | L84-L88 HydrophobicContact CD1-CD1 4.31Å; L84-L88 HydrophobicContact CD1-CG 4.25Å; L84-L88 HydrophobicContact CG-CD1 4.08Å; L84-L88 HydrophobicContact CG-CG 4.46Å; L84-L88 WeakPolarHBondContact O-CG 3.36Å; L84-L88 PolarHBondContact O-N 2.66Å; A85-L88 PolarHBondContact O-N 3.1Å; G86-L88 PolarHBondContact O-N 3.45Å; L88-K91 PolarHBondContact O-N 3.21Å; L88-I97 HydrophobicContact CD2-CD1 3.98Å; L88-I97 HydrophobicContact CD2-CG1 4.15Å; L88-I97 HydrophobicContact CD2-CG2 3.91Å |
| 89 | L | 83.4 | Confident | 87.1 | Confident | 57 Ų | 57 | 46.5 Ų | 46.5 | 30% | 0.298 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -67 | -42 | -179.1 | -72.2 | 170.7 | 0 | 0 | 0 | 112.4 | A85 G86 K91 L161 L164 M168 | A85-L89 WeakPolarHBondContact O-CB 2.96Å; A85-L89 VanDerWaalsContact O-CG 3.26Å; A85-L89 WeakPolarHBondContact O-CG 3.44Å; A85-L89 PolarHBondContact O-N 3.34Å; G86-L89 PolarHBondContact O-N 3.07Å; L89-K91 PolarHBondContact O-N 3.33Å; L89-L161 HydrophobicContact CD2-CD2 4.32Å; L89-L164 HydrophobicContact CD1-CD2 3.81Å; L89-L164 HydrophobicContact CD1-CG 4.05Å; L89-M168 HydrophobicContact CD1-CE 3.58Å; L89-M168 HydrophobicContact CD1-SD 3.58Å; L89-M168 VanDerWaalsContact CD1-SD 3.58Å |
| 90 | S | 80.6 | Confident | 87.1 | Confident | 27 Ų | 27 | 46.8 Ų | 46.8 | 19% | 0.189 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | 7.8 | 176.9 | -58.8 | 0 | 0 | 0 | 0 | 113.6 | G86 Q92 G165 | G86-S90 WeakPolarHBondContact O-CB 3.02Å; G86-S90 PolarHBondContact O-N 3.44Å; G86-S90 PolarHBondContact O-OG 3.08Å; S90-Q92 PolarHBondContact O-N 3.04Å; S90-Q92 VanDerWaalsContact O-N 3.17Å; S90-G165 WeakPolarHBondContact OG-CA 3.47Å |
| 91 | K | 79.7 | Confident | 87.1 | Confident | 178 Ų | 178 | 50.3 Ų | 50.3 | 77% | 0.774 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.6 | 45.3 | 179.8 | -58.7 | 177.3 | -177.5 | 173.8 | 0 | 112.6 | A87 L88 L89 | A87-K91 PolarHBondContact O-N 3.39Å; L88-K91 PolarHBondContact O-N 3.21Å; L89-K91 PolarHBondContact O-N 3.33Å |
| 92 | Q | 80 | Confident | 87.1 | Confident | 41 Ų | 41 | 51.7 Ų | 51.7 | 19% | 0.192 | 27% | 0.265 | C | S | . | . | trans | -62.7 | 172.7 | 178.6 | -77.8 | -171.4 | 14.7 | 0 | 0 | 112.1 | A87 S90 Q96 | A87-Q92 HydrophobicContact CB-CB 4Å; A87-Q92 HydrophobicContact CB-CG 4.31Å; A87-Q92 WeakPolarHBondContact O-CB 3.33Å; A87-Q92 PolarHBondContact O-N 3.32Å; S90-Q92 PolarHBondContact O-N 3.04Å; S90-Q92 VanDerWaalsContact O-N 3.17Å; Q92-Q96 VanDerWaalsContact OE1-OE1 3.06Å | ||
| 93 | L | 79.9 | Confident | 87.2 | Confident | 47 Ų | 47 | 50.6 Ų | 50.6 | 25% | 0.246 | 26% | 0.258 | C | S | . | . | trans | -55.4 | 141.3 | -177.5 | -70.4 | 158.8 | 0 | 0 | 0 | 111.2 | F25 T95 Q96 I97 | F25-L93 WeakPolarHBondContact O-CD2 3.3Å; L93-T95 PolarHBondContact O-N 2.99Å; L93-T95 VanDerWaalsContact O-N 3.07Å; L93-Q96 HydrophobicContact CB-CG 4.43Å; L93-Q96 PolarHBondContact O-N 3.48Å; L93-I97 PolarHBondContact O-N 3.17Å | ||
| 94 | P | 80.4 | Confident | 87.5 | Confident | 48 Ų | 48 | 50.5 Ų | 50.5 | 31% | 0.312 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -52.6 | -34.6 | 176.5 | -28 | 34.8 | 0 | 0 | 0 | 113.1 | Q96 I97 F98 | P94-Q96 PolarHBondContact O-N 3.18Å; P94-I97 PolarHBondContact O-N 2.98Å; P94-F98 HydrophobicContact CB-CD2 4.31Å; P94-F98 HydrophobicContact CB-CE2 3.95Å; P94-F98 WeakPolarHBondContact O-CD2 3.45Å; P94-F98 WeakPolarHBondContact O-CG 3.39Å; P94-F98 PolarHBondContact O-N 3.05Å |
| 95 | T | 82.2 | Confident | 87.7 | Confident | 45 Ų | 45 | 54.5 Ų | 54.5 | 28% | 0.276 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -58.3 | -44.7 | 176.2 | 50.4 | 0 | 0 | 0 | 0 | 112.4 | F25 L93 I97 F98 V99 | F25-T95 HydrophobicContact CE1-CG2 4.41Å; L93-T95 PolarHBondContact O-N 2.99Å; L93-T95 VanDerWaalsContact O-N 3.07Å; T95-I97 VanDerWaalsContact C-N 3.33Å; T95-I97 PolarHBondContact O-N 3.24Å; T95-F98 PolarHBondContact O-N 2.96Å; T95-V99 WeakPolarHBondContact O-CB 3.04Å; T95-V99 VanDerWaalsContact O-CG2 3.23Å; T95-V99 WeakPolarHBondContact O-CG2 3.49Å; T95-V99 PolarHBondContact O-N 3.06Å |
| 96 | Q | 84.3 | Confident | 88 | Confident | 78 Ų | 78 | 53.4 Ų | 53.4 | 36% | 0.364 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -65.3 | -38.5 | 177.5 | -67.2 | 178.3 | -66.6 | 0 | 0 | 111.4 | Q92 L93 P94 G100 | Q92-Q96 VanDerWaalsContact OE1-OE1 3.06Å; L93-Q96 HydrophobicContact CB-CG 4.43Å; L93-Q96 PolarHBondContact O-N 3.48Å; P94-Q96 PolarHBondContact O-N 3.18Å; Q96-G100 PolarHBondContact O-N 3.16Å |
| 97 | I | 88.3 | Confident | 88.5 | Confident | 38 Ų | 38 | 53.3 Ų | 53.3 | 20% | 0.195 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.7 | -48.6 | 176.4 | -62.9 | 168.8 | 0 | 0 | 0 | 110.7 | L84 L88 L93 P94 T95 V99 G100 I101 | L84-I97 HydrophobicContact CD1-CB 4.49Å; L84-I97 HydrophobicContact CD1-CG2 4.1Å; L88-I97 HydrophobicContact CD2-CD1 3.98Å; L88-I97 HydrophobicContact CD2-CG1 4.15Å; L88-I97 HydrophobicContact CD2-CG2 3.91Å; L93-I97 PolarHBondContact O-N 3.17Å; P94-I97 PolarHBondContact O-N 2.98Å; T95-I97 VanDerWaalsContact C-N 3.33Å; T95-I97 PolarHBondContact O-N 3.24Å; I97-V99 VanDerWaalsContact C-N 3.33Å; I97-V99 PolarHBondContact O-N 3.31Å; I97-G100 PolarHBondContact O-N 2.79Å; I97-I101 HydrophobicContact CG2-CD1 4.05Å; I97-I101 WeakPolarHBondContact O-CG1 3.49Å; I97-I101 PolarHBondContact O-N 2.98Å |
| 98 | F | 90.3 | Very high | 88.9 | Confident | 128 Ų | 128 | 55.4 Ų | 55.4 | 56% | 0.561 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -61.5 | -42.5 | 179.3 | -72 | -56.2 | 0 | 0 | 0 | 112.3 | P94 T95 I101 Y102 | P94-F98 HydrophobicContact CB-CD2 4.31Å; P94-F98 HydrophobicContact CB-CE2 3.95Å; P94-F98 WeakPolarHBondContact O-CD2 3.45Å; P94-F98 WeakPolarHBondContact O-CG 3.39Å; P94-F98 PolarHBondContact O-N 3.05Å; T95-F98 PolarHBondContact O-N 2.96Å; F98-I101 PolarHBondContact O-N 3.14Å; F98-Y102 PolarHBondContact O-N 3.43Å |
| 99 | V | 91.1 | Very high | 89.3 | Confident | 17 Ų | 17 | 53 Ų | 53 | 10% | 0.103 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.2 | -42.4 | 177.4 | 169.9 | 0 | 0 | 0 | 0 | 111 | L45 T95 I97 I101 Y102 Y103 | L45-V99 HydrophobicContact CD2-CG1 4.26Å; L45-V99 HydrophobicContact CD2-CG2 4.31Å; T95-V99 WeakPolarHBondContact O-CB 3.04Å; T95-V99 VanDerWaalsContact O-CG2 3.23Å; T95-V99 WeakPolarHBondContact O-CG2 3.49Å; T95-V99 PolarHBondContact O-N 3.06Å; I97-V99 VanDerWaalsContact C-N 3.33Å; I97-V99 PolarHBondContact O-N 3.31Å; V99-I101 VanDerWaalsContact C-N 3.34Å; V99-I101 PolarHBondContact O-N 3.14Å; V99-Y102 WeakPolarHBondContact O-CB 3.43Å; V99-Y102 PolarHBondContact O-N 3.34Å; V99-Y102 VanDerWaalsContact O-N 3.14Å; V99-Y103 HydrophobicContact CG1-CD1 4.21Å; V99-Y103 HydrophobicContact CG1-CD2 4.29Å; V99-Y103 HydrophobicContact CG1-CE1 3.47Å; V99-Y103 VanDerWaalsContact CG1-CE1 3.47Å; V99-Y103 HydrophobicContact CG1-CE2 3.61Å; V99-Y103 WeakPolarHBondContact CG1-OH 3.35Å; V99-Y103 WeakPolarHBondContact O-CD1 3.11Å; V99-Y103 PolarHBondContact O-N 2.86Å |
| 100 | G | 93.1 | Very high | 89.9 | Confident | 6 Ų | 6 | 50.4 Ų | 50.4 | 6% | 0.062 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.5 | -38.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q96 I97 Y103 I104 | Q96-G100 PolarHBondContact O-N 3.16Å; I97-G100 PolarHBondContact O-N 2.79Å; G100-Y103 PolarHBondContact O-N 3.21Å; G100-I104 WeakPolarHBondContact O-CG1 3.37Å; G100-I104 PolarHBondContact O-N 3.31Å; G100-I104 VanDerWaalsContact O-N 3.17Å |
| 101 | I | 94.7 | Very high | 90.5 | Very high | 78 Ų | 78 | 50.3 Ų | 50.3 | 40% | 0.4 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.4 | -45 | 172.6 | -68.3 | 166 | 0 | 0 | 0 | 110.5 | L84 I97 F98 V99 Y103 I104 I105 | L84-I101 HydrophobicContact CD1-CG1 4.22Å; L84-I101 HydrophobicContact CD2-CG1 3.83Å; I97-I101 HydrophobicContact CG2-CD1 4.05Å; I97-I101 WeakPolarHBondContact O-CG1 3.49Å; I97-I101 PolarHBondContact O-N 2.98Å; F98-I101 PolarHBondContact O-N 3.14Å; V99-I101 VanDerWaalsContact C-N 3.34Å; V99-I101 PolarHBondContact O-N 3.14Å; I101-Y103 VanDerWaalsContact C-N 3.32Å; I101-Y103 PolarHBondContact O-N 3.08Å; I101-I104 PolarHBondContact O-N 2.92Å; I101-I105 HydrophobicContact CG2-CD1 4Å; I101-I105 WeakPolarHBondContact O-CG1 3.36Å; I101-I105 PolarHBondContact O-N 3.34Å; I101-I105 VanDerWaalsContact O-N 3.14Å |
| 102 | Y | 95.8 | Very high | 91.2 | Very high | 62 Ų | 62 | 45.9 Ų | 45.9 | 24% | 0.243 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59 | -42.7 | 176.8 | 173.5 | -94.9 | 0 | 0 | 0 | 112 | F49 F98 V99 I104 I105 Q106 | F49-Y102 HydrophobicContact CB-CE1 4.25Å; F49-Y102 AromaticContact CD1-CD1 3.82Å; F49-Y102 HydrophobicContact CD1-CD1 3.82Å; F49-Y102 HydrophobicContact CD1-CD2 4.08Å; F49-Y102 AromaticContact CD1-CE1 3.54Å; F49-Y102 HydrophobicContact CD1-CE1 3.54Å; F49-Y102 AromaticContact CD1-CE2 3.75Å; F49-Y102 HydrophobicContact CD1-CE2 3.75Å; F49-Y102 HydrophobicContact CD1-CG 4.1Å; F49-Y102 AromaticContact CD1-CZ 3.48Å; F49-Y102 VanDerWaalsContact CD1-CZ 3.48Å; F49-Y102 AromaticContact CE1-CD1 3.87Å; F49-Y102 HydrophobicContact CE1-CD1 3.87Å; F49-Y102 AromaticContact CE1-CD2 3.93Å; F49-Y102 HydrophobicContact CE1-CD2 3.93Å; F49-Y102 HydrophobicContact CE1-CE1 4.09Å; F49-Y102 HydrophobicContact CE1-CE2 4.08Å; F49-Y102 AromaticContact CE1-CG 3.82Å; F49-Y102 HydrophobicContact CE1-CG 3.82Å; F49-Y102 HydrophobicContact CG-CD1 4.49Å; F49-Y102 HydrophobicContact CG-CE1 4.06Å; F49-Y102 PolarHBondContact O-OH 3.41Å; F98-Y102 PolarHBondContact O-N 3.43Å; V99-Y102 WeakPolarHBondContact O-CB 3.43Å; V99-Y102 PolarHBondContact O-N 3.34Å; V99-Y102 VanDerWaalsContact O-N 3.14Å; Y102-I104 PolarHBondContact O-N 3.48Å; Y102-I105 WeakPolarHBondContact O-CB 3.47Å; Y102-I105 PolarHBondContact O-N 3.17Å; Y102-I105 VanDerWaalsContact O-N 3.16Å; Y102-Q106 PolarHBondContact O-N 2.84Å |
| 103 | Y | 95 | Very high | 91.9 | Very high | 22 Ų | 22 | 45.4 Ų | 45.4 | 9% | 0.086 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.3 | -45.8 | 177.1 | -66.8 | -9.6 | 0 | 0 | 0 | 112.8 | W48 D80 V99 G100 I101 I105 Q106 D107 | W48-Y103 HydrophobicContact CB-CE1 3.7Å; W48-Y103 WeakPolarHBondContact CB-OH 3.38Å; W48-Y103 HydrophobicContact CG-CE1 4.33Å; W48-Y103 AromaticContact CG-CZ 3.87Å; D80-Y103 WeakPolarHBondContact OD2-CB 3.08Å; V99-Y103 HydrophobicContact CG1-CD1 4.21Å; V99-Y103 HydrophobicContact CG1-CD2 4.29Å; V99-Y103 HydrophobicContact CG1-CE1 3.47Å; V99-Y103 VanDerWaalsContact CG1-CE1 3.47Å; V99-Y103 HydrophobicContact CG1-CE2 3.61Å; V99-Y103 WeakPolarHBondContact CG1-OH 3.35Å; V99-Y103 WeakPolarHBondContact O-CD1 3.11Å; V99-Y103 PolarHBondContact O-N 2.86Å; G100-Y103 PolarHBondContact O-N 3.21Å; I101-Y103 VanDerWaalsContact C-N 3.32Å; I101-Y103 PolarHBondContact O-N 3.08Å; Y103-I105 VanDerWaalsContact C-N 3.27Å; Y103-I105 PolarHBondContact O-N 3.18Å; Y103-Q106 WeakPolarHBondContact O-CG 3.48Å; Y103-Q106 PolarHBondContact O-N 3.24Å; Y103-D107 WeakPolarHBondContact O-CB 3.47Å; Y103-D107 VanDerWaalsContact O-CG 3.27Å; Y103-D107 PolarHBondContact O-N 3.48Å |
| 104 | I | 95.6 | Very high | 92.4 | Very high | 37 Ų | 37 | 44.7 Ų | 44.7 | 19% | 0.19 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.3 | -35.4 | 177 | -65.4 | 175.3 | 0 | 0 | 0 | 111.6 | F77 D80 L84 G100 I101 Y102 S108 | F77-I104 HydrophobicContact CE2-CG2 3.82Å; F77-I104 HydrophobicContact CZ-CG2 4.47Å; D80-I104 HydrophobicContact CB-CG1 4.29Å; L84-I104 HydrophobicContact CB-CD1 4.12Å; L84-I104 HydrophobicContact CD2-CD1 3.46Å; L84-I104 VanDerWaalsContact CD2-CD1 3.46Å; L84-I104 HydrophobicContact CG-CD1 4.43Å; G100-I104 WeakPolarHBondContact O-CG1 3.37Å; G100-I104 PolarHBondContact O-N 3.31Å; G100-I104 VanDerWaalsContact O-N 3.17Å; I101-I104 PolarHBondContact O-N 2.92Å; Y102-I104 PolarHBondContact O-N 3.48Å; I104-S108 VanDerWaalsContact O-CB 3.3Å; I104-S108 WeakPolarHBondContact O-CB 3.34Å; I104-S108 PolarHBondContact O-N 3.41Å; I104-S108 PolarHBondContact O-OG 3.27Å |
| 105 | I | 96.2 | Very high | 92.9 | Very high | 105 Ų | 105 | 45.5 Ų | 45.5 | 54% | 0.538 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64.8 | -48.7 | 177.3 | -70 | 168.3 | 0 | 0 | 0 | 111 | I101 Y102 Y103 D107 S108 A109 | I101-I105 HydrophobicContact CG2-CD1 4Å; I101-I105 WeakPolarHBondContact O-CG1 3.36Å; I101-I105 PolarHBondContact O-N 3.34Å; I101-I105 VanDerWaalsContact O-N 3.14Å; Y102-I105 WeakPolarHBondContact O-CB 3.47Å; Y102-I105 PolarHBondContact O-N 3.17Å; Y102-I105 VanDerWaalsContact O-N 3.16Å; Y103-I105 VanDerWaalsContact C-N 3.27Å; Y103-I105 PolarHBondContact O-N 3.18Å; I105-D107 VanDerWaalsContact C-N 3.32Å; I105-D107 PolarHBondContact O-N 2.92Å; I105-S108 PolarHBondContact O-N 3.14Å; I105-A109 PolarHBondContact O-N 2.98Å |
| 106 | Q | 96 | Very high | 93.3 | Very high | 8 Ų | 8 | 49.9 Ų | 49.9 | 4% | 0.037 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.8 | -37.3 | 179 | 60.9 | 168.6 | 19.7 | 0 | 0 | 111.8 | L52 Y102 Y103 A109 I110 | L52-Q106 HydrophobicContact CD1-CG 4.47Å; L52-Q106 HydrophobicContact CD2-CB 3.85Å; L52-Q106 HydrophobicContact CD2-CG 3.84Å; L52-Q106 WeakPolarHBondContact CD2-O 3.35Å; Y102-Q106 PolarHBondContact O-N 2.84Å; Y103-Q106 WeakPolarHBondContact O-CG 3.48Å; Y103-Q106 PolarHBondContact O-N 3.24Å; Q106-A109 WeakPolarHBondContact O-CB 3.47Å; Q106-A109 PolarHBondContact O-N 2.98Å; Q106-I110 PolarHBondContact O-N 2.92Å |
| 107 | D | 95.6 | Very high | 93.7 | Very high | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.011 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -68.2 | -41.4 | 179.8 | -75.2 | 7.6 | 0 | 0 | 0 | 111 | L52 W76 F77 D80 Y103 I105 A109 I110 L111 | L52-D107 WeakPolarHBondContact CD2-OD1 3.43Å; W76-D107 VanDerWaalsContact C-OD2 3.32Å; F77-D107 WeakPolarHBondContact CA-OD2 3.37Å; F77-D107 HydrophobicContact CB-CB 4.07Å; F77-D107 HydrophobicContact CD2-CB 3.76Å; F77-D107 HydrophobicContact CG-CB 4.42Å; F77-D107 PolarHBondContact N-OD2 2.93Å; F77-D107 VanDerWaalsContact N-OD2 3.14Å; D80-D107 VanDerWaalsContact OD2-OD2 3.09Å; Y103-D107 WeakPolarHBondContact O-CB 3.47Å; Y103-D107 VanDerWaalsContact O-CG 3.27Å; Y103-D107 PolarHBondContact O-N 3.48Å; I105-D107 VanDerWaalsContact C-N 3.32Å; I105-D107 PolarHBondContact O-N 2.92Å; D107-A109 VanDerWaalsContact C-N 3.31Å; D107-A109 PolarHBondContact O-N 2.75Å; D107-I110 VanDerWaalsContact O-CG2 3.3Å; D107-I110 WeakPolarHBondContact O-CG2 3.45Å; D107-I110 PolarHBondContact O-N 3.43Å; D107-L111 WeakPolarHBondContact O-CB 3.44Å; D107-L111 WeakPolarHBondContact O-CG 3.39Å; D107-L111 PolarHBondContact O-N 2.94Å |
| 108 | S | 96 | Very high | 93.6 | Very high | 45 Ų | 45 | 49.7 Ų | 49.7 | 32% | 0.315 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60.1 | -43.8 | 171.7 | -58.9 | 0 | 0 | 0 | 0 | 110.8 | I104 I105 I110 L111 C112 | I104-S108 VanDerWaalsContact O-CB 3.3Å; I104-S108 WeakPolarHBondContact O-CB 3.34Å; I104-S108 PolarHBondContact O-N 3.41Å; I104-S108 PolarHBondContact O-OG 3.27Å; I105-S108 PolarHBondContact O-N 3.14Å; S108-I110 PolarHBondContact O-N 3.44Å; S108-L111 PolarHBondContact O-N 3.23Å; S108-C112 VanDerWaalsContact O-CB 3.27Å; S108-C112 WeakPolarHBondContact O-CB 3.3Å; S108-C112 PolarHBondContact O-N 3.45Å; S108-C112 PolarHBondContact O-SG 2.84Å |
| 109 | A | 96.7 | Very high | 93.3 | Very high | 44 Ų | 44 | 49 Ų | 49 | 36% | 0.364 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.7 | -46.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | I105 Q106 D107 Q113 | I105-A109 PolarHBondContact O-N 2.98Å; Q106-A109 WeakPolarHBondContact O-CB 3.47Å; Q106-A109 PolarHBondContact O-N 2.98Å; D107-A109 VanDerWaalsContact C-N 3.31Å; D107-A109 PolarHBondContact O-N 2.75Å; A109-Q113 WeakPolarHBondContact O-CB 3.44Å; A109-Q113 PolarHBondContact O-N 3.3Å |
| 110 | I | 95.8 | Very high | 93.1 | Very high | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -72.3 | -34.9 | 179.6 | -164.5 | 165.7 | 0 | 0 | 0 | 112.5 | L52 Q55 L56 I68 L73 Q106 D107 S108 Q113 Y114 | L52-I110 HydrophobicContact CD2-CB 4.15Å; L52-I110 HydrophobicContact CD2-CG2 3.61Å; L52-I110 HydrophobicContact CG-CD1 4.47Å; Q55-I110 HydrophobicContact CB-CD1 4.06Å; Q55-I110 HydrophobicContact CG-CD1 3.68Å; L56-I110 HydrophobicContact CD2-CB 3.84Å; L56-I110 HydrophobicContact CD2-CG1 4.09Å; L56-I110 HydrophobicContact CG-CB 4.33Å; L56-I110 HydrophobicContact CG-CG1 4.46Å; I68-I110 HydrophobicContact CD1-CD1 4.38Å; L73-I110 HydrophobicContact CD1-CG1 4.23Å; L73-I110 HydrophobicContact CD1-CG2 4.48Å; L73-I110 HydrophobicContact CD2-CD1 3.94Å; L73-I110 HydrophobicContact CD2-CG1 4.24Å; L73-I110 HydrophobicContact CD2-CG2 3.89Å; Q106-I110 PolarHBondContact O-N 2.92Å; D107-I110 VanDerWaalsContact O-CG2 3.3Å; D107-I110 WeakPolarHBondContact O-CG2 3.45Å; D107-I110 PolarHBondContact O-N 3.43Å; S108-I110 PolarHBondContact O-N 3.44Å; I110-Q113 PolarHBondContact O-N 3.39Å; I110-Y114 WeakPolarHBondContact O-CB 3.45Å; I110-Y114 PolarHBondContact O-N 3.37Å |
| 111 | L | 93.3 | Very high | 92.6 | Very high | 25 Ų | 25 | 54.8 Ų | 54.8 | 13% | 0.131 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.4 | -44.7 | 173.4 | -78.7 | 169.9 | 0 | 0 | 0 | 111.5 | L73 L74 F77 D107 S108 Q113 Y114 C115 | L73-L111 HydrophobicContact CB-CD2 3.62Å; L73-L111 HydrophobicContact CB-CG 4.22Å; L73-L111 HydrophobicContact CD1-CD2 4.4Å; L74-L111 HydrophobicContact CD2-CD1 4.36Å; L74-L111 HydrophobicContact CD2-CD2 3.9Å; L74-L111 HydrophobicContact CG-CD2 4.24Å; F77-L111 HydrophobicContact CB-CD1 3.78Å; F77-L111 HydrophobicContact CD2-CD1 4.1Å; F77-L111 HydrophobicContact CG-CD1 3.91Å; D107-L111 WeakPolarHBondContact O-CB 3.44Å; D107-L111 WeakPolarHBondContact O-CG 3.39Å; D107-L111 PolarHBondContact O-N 2.94Å; S108-L111 PolarHBondContact O-N 3.23Å; L111-Q113 VanDerWaalsContact C-N 3.33Å; L111-Q113 PolarHBondContact O-N 2.97Å; L111-Y114 PolarHBondContact O-N 3.16Å; L111-C115 WeakPolarHBondContact O-CB 3.38Å; L111-C115 PolarHBondContact O-N 2.88Å; L111-C115 PolarHBondContact O-SG 3.48Å; L111-C115 VanDerWaalsContact O-SG 3.38Å |
| 112 | C | 94 | Very high | 91.8 | Very high | 86 Ų | 86 | 55.6 Ų | 55.6 | 58% | 0.581 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -59.5 | -44.6 | 173.6 | -74.3 | 0 | 0 | 0 | 0 | 111.2 | S108 C115 Y116 | S108-C112 VanDerWaalsContact O-CB 3.27Å; S108-C112 WeakPolarHBondContact O-CB 3.3Å; S108-C112 PolarHBondContact O-N 3.45Å; S108-C112 PolarHBondContact O-SG 2.84Å; C112-C115 PolarHBondContact O-N 2.9Å; C112-Y116 WeakPolarHBondContact O-CB 3.44Å; C112-Y116 PolarHBondContact O-N 3.04Å |
| 113 | Q | 95.4 | Very high | 90.5 | Very high | 31 Ų | 31 | 60.2 Ų | 60.2 | 15% | 0.145 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.8 | -43.8 | 176.5 | -170.4 | -169.7 | 54.9 | 0 | 0 | 112 | L56 N59 A109 I110 L111 Y116 Y117 | L56-Q113 HydrophobicContact CD2-CB 4.31Å; L56-Q113 PolarHBondContact O-NE2 2.86Å; N59-Q113 PolarHBondContact ND2-OE1 3.32Å; A109-Q113 WeakPolarHBondContact O-CB 3.44Å; A109-Q113 PolarHBondContact O-N 3.3Å; I110-Q113 PolarHBondContact O-N 3.39Å; L111-Q113 VanDerWaalsContact C-N 3.33Å; L111-Q113 PolarHBondContact O-N 2.97Å; Q113-Y116 PolarHBondContact O-N 2.88Å; Q113-Y117 HydrophobicContact CG-CD2 3.69Å; Q113-Y117 HydrophobicContact CG-CE2 3.46Å; Q113-Y117 VanDerWaalsContact CG-CE2 3.46Å; Q113-Y117 VanDerWaalsContact O-CD2 3.31Å; Q113-Y117 WeakPolarHBondContact O-CD2 2.91Å; Q113-Y117 PolarHBondContact O-N 3.31Å |
| 114 | Y | 91.5 | Very high | 89.1 | Confident | 31 Ų | 31 | 64.3 Ų | 64.3 | 12% | 0.122 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -58.8 | -50.8 | 175.8 | -179 | -82.5 | 0 | 0 | 0 | 111.2 | C65 I68 V70 L73 I110 L111 Y116 Y117 K118 | C65-Y114 HydrophobicContact CB-CD2 3.42Å; C65-Y114 VanDerWaalsContact CB-CD2 3.42Å; C65-Y114 HydrophobicContact CB-CE2 3.83Å; C65-Y114 HydrophobicContact CB-CG 4.27Å; I68-Y114 HydrophobicContact CG2-CD2 4.29Å; V70-Y114 HydrophobicContact CB-CD1 4.46Å; V70-Y114 HydrophobicContact CB-CE1 3.8Å; V70-Y114 HydrophobicContact CB-CE2 4.2Å; V70-Y114 HydrophobicContact CG2-CD1 4Å; V70-Y114 HydrophobicContact CG2-CE1 3.67Å; L73-Y114 HydrophobicContact CD1-CD2 4.19Å; L73-Y114 HydrophobicContact CD1-CG 4.38Å; I110-Y114 WeakPolarHBondContact O-CB 3.45Å; I110-Y114 PolarHBondContact O-N 3.37Å; L111-Y114 PolarHBondContact O-N 3.16Å; Y114-Y116 VanDerWaalsContact C-N 3.34Å; Y114-Y116 PolarHBondContact O-N 2.93Å; Y114-Y117 PolarHBondContact O-N 2.96Å; Y114-K118 HydrophobicContact CD1-CD 4.43Å; Y114-K118 HydrophobicContact CE1-CB 4.45Å; Y114-K118 HydrophobicContact CE1-CD 3.57Å; Y114-K118 VanDerWaalsContact O-CB 3.24Å; Y114-K118 WeakPolarHBondContact O-CB 3.49Å; Y114-K118 PolarHBondContact O-N 3.21Å; Y114-K118 PolarHBondContact OH-NZ 3.31Å |
| 115 | C | 90.3 | Very high | 87.6 | Confident | 66 Ų | 66 | 67.4 Ų | 67.4 | 45% | 0.446 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -59.5 | -44.7 | 177.6 | -72.9 | 0 | 0 | 0 | 0 | 111.5 | L111 C112 K118 I119 | L111-C115 WeakPolarHBondContact O-CB 3.38Å; L111-C115 PolarHBondContact O-N 2.88Å; L111-C115 PolarHBondContact O-SG 3.48Å; L111-C115 VanDerWaalsContact O-SG 3.38Å; C112-C115 PolarHBondContact O-N 2.9Å; C115-K118 PolarHBondContact O-N 3.21Å; C115-I119 WeakPolarHBondContact O-CB 3.45Å; C115-I119 WeakPolarHBondContact O-CD1 3.3Å; C115-I119 VanDerWaalsContact O-CG1 3.23Å; C115-I119 WeakPolarHBondContact O-CG1 3.45Å; C115-I119 PolarHBondContact O-N 3.11Å |
| 116 | Y | 91.1 | Very high | 85.7 | Confident | 136 Ų | 136 | 64.3 Ų | 64.3 | 53% | 0.533 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -58.5 | -53.3 | 178 | 172.8 | -102.5 | 0 | 0 | 0 | 112.1 | C112 Q113 Y114 K118 I119 K120 | C112-Y116 WeakPolarHBondContact O-CB 3.44Å; C112-Y116 PolarHBondContact O-N 3.04Å; Q113-Y116 PolarHBondContact O-N 2.88Å; Y114-Y116 VanDerWaalsContact C-N 3.34Å; Y114-Y116 PolarHBondContact O-N 2.93Å; Y116-K118 VanDerWaalsContact C-N 3.34Å; Y116-K118 PolarHBondContact O-N 3.12Å; Y116-I119 PolarHBondContact O-N 3.41Å; Y116-K120 HydrophobicContact CE1-CD 4.16Å; Y116-K120 WeakPolarHBondContact O-CB 3.3Å; Y116-K120 PolarHBondContact O-N 3.47Å |
| 117 | Y | 91.3 | Very high | 83.9 | Confident | 19 Ų | 19 | 68.4 Ų | 68.4 | 8% | 0.075 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -68.5 | -33.9 | -179.6 | -74.2 | -58.6 | 0 | 0 | 0 | 112.8 | Y60 G63 Q113 Y114 K120 N121 | Y60-Y117 WeakPolarHBondContact CA-OH 3.3Å; G63-Y117 WeakPolarHBondContact O-CD1 3.21Å; Q113-Y117 HydrophobicContact CG-CD2 3.69Å; Q113-Y117 HydrophobicContact CG-CE2 3.46Å; Q113-Y117 VanDerWaalsContact CG-CE2 3.46Å; Q113-Y117 VanDerWaalsContact O-CD2 3.31Å; Q113-Y117 WeakPolarHBondContact O-CD2 2.91Å; Q113-Y117 PolarHBondContact O-N 3.31Å; Y114-Y117 PolarHBondContact O-N 2.96Å; Y117-K120 HydrophobicContact CD1-CD 4.44Å; Y117-K120 PolarHBondContact O-N 3.03Å; Y117-N121 VanDerWaalsContact O-CB 3.25Å; Y117-N121 WeakPolarHBondContact O-CB 3.5Å; Y117-N121 PolarHBondContact O-N 2.97Å; Y117-N121 PolarHBondContact O-ND2 3.15Å |
| 118 | K | 86.1 | Confident | 82.2 | Confident | 94 Ų | 94 | 72.8 Ų | 72.8 | 41% | 0.409 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.8 | -47.7 | 175 | -171.4 | 166.8 | -174.6 | 171.2 | 0 | 111.3 | Y114 C115 Y116 Q122 | Y114-K118 HydrophobicContact CD1-CD 4.43Å; Y114-K118 HydrophobicContact CE1-CB 4.45Å; Y114-K118 HydrophobicContact CE1-CD 3.57Å; Y114-K118 VanDerWaalsContact O-CB 3.24Å; Y114-K118 WeakPolarHBondContact O-CB 3.49Å; Y114-K118 PolarHBondContact O-N 3.21Å; Y114-K118 PolarHBondContact OH-NZ 3.31Å; C115-K118 PolarHBondContact O-N 3.21Å; Y116-K118 VanDerWaalsContact C-N 3.34Å; Y116-K118 PolarHBondContact O-N 3.12Å; K118-Q122 WeakPolarHBondContact O-CB 3.47Å; K118-Q122 WeakPolarHBondContact O-CG 3.23Å; K118-Q122 PolarHBondContact O-N 2.99Å |
| 119 | I | 85.6 | Confident | 79.9 | Confident | 112 Ų | 112 | 75.8 Ų | 75.8 | 57% | 0.574 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -64.2 | -46.2 | 176.4 | -67.6 | 165.9 | 0 | 0 | 0 | 110.2 | C115 Y116 N121 Q122 W123 | C115-I119 WeakPolarHBondContact O-CB 3.45Å; C115-I119 WeakPolarHBondContact O-CD1 3.3Å; C115-I119 VanDerWaalsContact O-CG1 3.23Å; C115-I119 WeakPolarHBondContact O-CG1 3.45Å; C115-I119 PolarHBondContact O-N 3.11Å; Y116-I119 PolarHBondContact O-N 3.41Å; I119-N121 PolarHBondContact O-N 3.14Å; I119-Q122 PolarHBondContact O-N 3.02Å; I119-W123 WeakPolarHBondContact O-CB 3.42Å; I119-W123 PolarHBondContact O-N 3.21Å |
| 120 | K | 85.5 | Confident | 77.6 | Confident | 99 Ų | 99 | 78.9 Ų | 78.9 | 43% | 0.43 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -60 | -46.4 | 179.7 | -177.4 | -174 | 175.6 | -172.1 | 0 | 112 | Y116 Y117 W123 H124 | Y116-K120 HydrophobicContact CE1-CD 4.16Å; Y116-K120 WeakPolarHBondContact O-CB 3.3Å; Y116-K120 PolarHBondContact O-N 3.47Å; Y117-K120 HydrophobicContact CD1-CD 4.44Å; Y117-K120 PolarHBondContact O-N 3.03Å; K120-W123 CarbonylContact O-C 3.59Å; K120-W123 PolarHBondContact O-N 3.01Å; K120-H124 WeakPolarHBondContact O-CB 3.46Å; K120-H124 PolarHBondContact O-N 3.42Å |
| 121 | N | 83.7 | Confident | 75.6 | Confident | 47 Ų | 47 | 86.8 Ų | 86.8 | 25% | 0.251 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -77.1 | -33.4 | -177.4 | -65 | -9.9 | 0 | 0 | 0 | 111.4 | G63 Q64 Y117 I119 W123 H124 N125 | G63-N121 PolarHBondContact O-ND2 3.07Å; Q64-N121 WeakPolarHBondContact CB-ND2 3.42Å; Y117-N121 VanDerWaalsContact O-CB 3.25Å; Y117-N121 WeakPolarHBondContact O-CB 3.5Å; Y117-N121 PolarHBondContact O-N 2.97Å; Y117-N121 PolarHBondContact O-ND2 3.15Å; I119-N121 PolarHBondContact O-N 3.14Å; N121-W123 VanDerWaalsContact C-N 3.3Å; N121-H124 PolarHBondContact O-N 2.9Å; N121-N125 VanDerWaalsContact O-CB 3.27Å; N121-N125 WeakPolarHBondContact O-CB 3.33Å; N121-N125 PolarHBondContact O-N 3.43Å; N121-N125 PolarHBondContact O-ND2 3Å |
| 122 | Q | 78.5 | Confident | 73 | Confident | 95 Ų | 95 | 87.6 Ų | 87.6 | 44% | 0.444 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -61.2 | -42.1 | 166.2 | -77.3 | -179.3 | -21.5 | 0 | 0 | 110.8 | K118 I119 N125 H126 | K118-Q122 WeakPolarHBondContact O-CB 3.47Å; K118-Q122 WeakPolarHBondContact O-CG 3.23Å; K118-Q122 PolarHBondContact O-N 2.99Å; I119-Q122 PolarHBondContact O-N 3.02Å; Q122-N125 CarbonylContact O-C 2.78Å; Q122-N125 PolarHBondContact O-N 3.28Å; Q122-H126 VanDerWaalsContact O-CB 3.24Å; Q122-H126 WeakPolarHBondContact O-CB 3.28Å; Q122-H126 PolarHBondContact O-CD2 3.4Å; Q122-H126 PolarHBondContact O-N 3.29Å |
| 123 | W | 67.2 | Low | 70.3 | Confident | 158 Ų | 158 | 91.6 Ų | 91.6 | 60% | 0.598 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -67.5 | -38.3 | 177.2 | -166.8 | 75.9 | 0 | 0 | 0 | 112.1 | I119 K120 N121 H126 L127 | I119-W123 WeakPolarHBondContact O-CB 3.42Å; I119-W123 PolarHBondContact O-N 3.21Å; K120-W123 CarbonylContact O-C 3.59Å; K120-W123 PolarHBondContact O-N 3.01Å; N121-W123 VanDerWaalsContact C-N 3.3Å; W123-H126 CarbonylContact O-C 3.29Å; W123-H126 PolarHBondContact O-N 3.43Å; W123-L127 HydrophobicContact CH2-CD1 3.98Å; W123-L127 HydrophobicContact CZ2-CD1 4.04Å; W123-L127 HydrophobicContact CZ3-CD1 4.45Å; W123-L127 WeakPolarHBondContact O-CB 3.44Å; W123-L127 PolarHBondContact O-N 3.32Å |
| 124 | H | 66.4 | Low | 67.4 | Low | 108 Ų | 108 | 95.1 Ų | 95.1 | 50% | 0.5 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65.2 | -45.4 | 173.3 | -168.5 | 70.6 | 0 | 0 | 0 | 111.2 | K120 N121 H126 L127 V128 | K120-H124 WeakPolarHBondContact O-CB 3.46Å; K120-H124 PolarHBondContact O-N 3.42Å; N121-H124 PolarHBondContact O-N 2.9Å; H124-H126 VanDerWaalsContact C-N 3.28Å; H124-H126 PolarHBondContact O-N 2.91Å; H124-L127 PolarHBondContact O-N 3.09Å; H124-V128 WeakPolarHBondContact O-CB 3.38Å; H124-V128 VanDerWaalsContact O-CG2 3.24Å; H124-V128 WeakPolarHBondContact O-CG2 3.4Å; H124-V128 PolarHBondContact O-N 3.2Å |
| 125 | N | 63 | Low | 64.9 | Low | 103 Ų | 103 | 98.6 Ų | 98.6 | 55% | 0.551 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.8 | -36.8 | 172.9 | -70 | -16.4 | 0 | 0 | 0 | 111.2 | N121 Q122 R129 | N121-N125 VanDerWaalsContact O-CB 3.27Å; N121-N125 WeakPolarHBondContact O-CB 3.33Å; N121-N125 PolarHBondContact O-N 3.43Å; N121-N125 PolarHBondContact O-ND2 3Å; Q122-N125 CarbonylContact O-C 2.78Å; Q122-N125 PolarHBondContact O-N 3.28Å; N125-R129 WeakPolarHBondContact O-CA 3.27Å; N125-R129 WeakPolarHBondContact O-CB 2.96Å; N125-R129 PolarHBondContact O-N 3.33Å |
| 126 | H | 56.8 | Low | 62.6 | Low | 40 Ų | 40 | 103.1 Ų | 103.1 | 19% | 0.185 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -69.8 | -37.6 | 174.2 | -77.8 | -59.6 | 0 | 0 | 0 | 112 | Q122 W123 H124 R129 D130 R137 | Q122-H126 VanDerWaalsContact O-CB 3.24Å; Q122-H126 WeakPolarHBondContact O-CB 3.28Å; Q122-H126 PolarHBondContact O-CD2 3.4Å; Q122-H126 PolarHBondContact O-N 3.29Å; W123-H126 CarbonylContact O-C 3.29Å; W123-H126 PolarHBondContact O-N 3.43Å; H124-H126 VanDerWaalsContact C-N 3.28Å; H124-H126 PolarHBondContact O-N 2.91Å; H126-R129 CarbonylContact O-C 3.56Å; H126-R129 VanDerWaalsContact O-C 3.29Å; H126-R129 PolarHBondContact O-N 3.24Å; H126-D130 WeakPolarHBondContact O-CA 3.21Å; H126-D130 VanDerWaalsContact O-CB 3.22Å; H126-D130 WeakPolarHBondContact O-CB 3.31Å; H126-D130 VanDerWaalsContact O-CG 3.26Å; H126-D130 PolarHBondContact O-N 3.22Å; H126-R137 PolarHBondContact CD2-NH2 3.17Å; H126-R137 VanDerWaalsContact CD2-NH2 3.33Å; H126-R137 PolarHBondContact NE2-NH2 2.9Å |
| 127 | L | 58 | Low | 60 | Low | 94 Ų | 94 | 105 Ų | 105 | 49% | 0.492 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -69.2 | -41.1 | 176.7 | -164.7 | 96.6 | 0 | 0 | 0 | 110.5 | W123 H124 R129 D130 | W123-L127 HydrophobicContact CH2-CD1 3.98Å; W123-L127 HydrophobicContact CZ2-CD1 4.04Å; W123-L127 HydrophobicContact CZ3-CD1 4.45Å; W123-L127 WeakPolarHBondContact O-CB 3.44Å; W123-L127 PolarHBondContact O-N 3.32Å; H124-L127 PolarHBondContact O-N 3.09Å; L127-R129 VanDerWaalsContact C-N 3.29Å; L127-D130 PolarHBondContact O-N 3Å |
| 128 | V | 59.1 | Low | 57.4 | Low | 93 Ų | 93 | 109.8 Ų | 109.8 | 56% | 0.564 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -64.5 | -36.3 | 171.4 | 172.5 | 0 | 0 | 0 | 0 | 110.7 | H124 L131 | H124-V128 WeakPolarHBondContact O-CB 3.38Å; H124-V128 VanDerWaalsContact O-CG2 3.24Å; H124-V128 WeakPolarHBondContact O-CG2 3.4Å; H124-V128 PolarHBondContact O-N 3.2Å; V128-L131 WeakPolarHBondContact O-CB 3.44Å |
| 129 | R | 49.3 | Very low | 55.1 | Low | 108 Ų | 108 | 111.9 Ų | 111.9 | 41% | 0.408 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -86.7 | -10 | 177.3 | -155.5 | -173.4 | 90.5 | 175.2 | 9.8 | 113.7 | N125 H126 L127 G132 Q133 T135 | N125-R129 WeakPolarHBondContact O-CA 3.27Å; N125-R129 WeakPolarHBondContact O-CB 2.96Å; N125-R129 PolarHBondContact O-N 3.33Å; H126-R129 CarbonylContact O-C 3.56Å; H126-R129 VanDerWaalsContact O-C 3.29Å; H126-R129 PolarHBondContact O-N 3.24Å; L127-R129 VanDerWaalsContact C-N 3.29Å; R129-G132 VanDerWaalsContact C-N 3.34Å; R129-G132 CarbonylContact O-C 3.51Å; R129-G132 WeakPolarHBondContact O-CA 3.49Å; R129-G132 PolarHBondContact O-N 2.89Å; R129-Q133 PolarHBondContact O-N 3.4Å; R129-T135 PolarHBondContact NH2-O 3.07Å |
| 130 | D | 47.4 | Very low | 52.7 | Low | 110 Ų | 110 | 115 Ų | 115 | 59% | 0.588 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | -7.1 | 171.9 | -85.2 | -19.9 | 0 | 0 | 0 | 110.4 | H126 L127 | H126-D130 WeakPolarHBondContact O-CA 3.21Å; H126-D130 VanDerWaalsContact O-CB 3.22Å; H126-D130 WeakPolarHBondContact O-CB 3.31Å; H126-D130 VanDerWaalsContact O-CG 3.26Å; H126-D130 PolarHBondContact O-N 3.22Å; L127-D130 PolarHBondContact O-N 3Å |
| 131 | L | 53.3 | Low | 50.5 | Low | 168 Ų | 168 | 118.2 Ų | 118.2 | 88% | 0.88 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | -8.2 | 151.8 | -160.9 | 67.7 | 0 | 0 | 0 | 112.6 | V128 | V128-L131 WeakPolarHBondContact O-CB 3.44Š|
| 132 | G | 38.9 | Very low | 48.1 | Very low | 42 Ų | 42 | 120.4 Ų | 120.4 | 43% | 0.433 | 64% | 0.636 | S | S | . | * | S | Bend | trans | -151.3 | 64.7 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | R129 | R129-G132 VanDerWaalsContact C-N 3.34Å; R129-G132 CarbonylContact O-C 3.51Å; R129-G132 WeakPolarHBondContact O-CA 3.49Å; R129-G132 PolarHBondContact O-N 2.89Å |
| 133 | Q | 38.4 | Very low | 46.5 | Very low | 169 Ų | 169 | 121 Ų | 121 | 79% | 0.79 | 66% | 0.657 | S | S | * | * | trans | 58.7 | 109.5 | 161.4 | -82.2 | 167.4 | -33.3 | 0 | 0 | 118.8 | R129 | R129-Q133 PolarHBondContact O-N 3.4Š| ||
| 134 | T | 34.7 | Very low | 45.1 | Very low | 106 Ų | 106 | 119.7 Ų | 119.7 | 65% | 0.65 | 67% | 0.667 | S | S | * | * | trans | -14.5 | 126 | 139.5 | -26.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 135 | T | 38.3 | Very low | 43.8 | Very low | 103 Ų | 103 | 119.1 Ų | 119.1 | 63% | 0.632 | 68% | 0.681 | S | S | * | * | -176.8 | 173 | 86.2 | -40.1 | 0 | 0 | 0 | 0 | 109 | R129 | R129-T135 PolarHBondContact NH2-O 3.07Š| |||
| 136 | L | 42.2 | Very low | 42.7 | Very low | 162 Ų | 162 | 122 Ų | 122 | 85% | 0.848 | 69% | 0.691 | S | S | * | * | trans | 89.3 | 101.6 | 174 | -88.4 | 88.9 | 0 | 0 | 0 | 117.9 | ||||
| 137 | R | 37.1 | Very low | 41.8 | Very low | 176 Ų | 176 | 125.9 Ų | 125.9 | 66% | 0.664 | 72% | 0.723 | S | S | * | * | trans | -137.3 | 148.4 | 171.3 | -93.6 | -170 | 175.6 | -169.8 | 0.7 | 110.6 | H126 | H126-R137 PolarHBondContact CD2-NH2 3.17Å; H126-R137 VanDerWaalsContact CD2-NH2 3.33Å; H126-R137 PolarHBondContact NE2-NH2 2.9Å | ||
| 138 | C | 36.6 | Very low | 41.1 | Very low | 119 Ų | 119 | 126.5 Ų | 126.5 | 80% | 0.804 | 73% | 0.726 | S | S | * | * | trans | 79.3 | 100.2 | 152.3 | -60.9 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 139 | V | 36.2 | Very low | 40 | Very low | 137 Ų | 137 | 131.7 Ų | 131.7 | 83% | 0.83 | 74% | 0.737 | S | S | * | * | -161.5 | 99.6 | 129 | -177.6 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 140 | M | 37.2 | Very low | 39.4 | Very low | 179 Ų | 179 | 132.4 Ų | 132.4 | 88% | 0.882 | 76% | 0.759 | S | S | * | * | trans | -150.9 | 50.1 | 170.2 | -80.3 | -56 | -73.2 | 0 | 0 | 112.5 | ||||
| 141 | I | 37.5 | Very low | 38.9 | Very low | 166 Ų | 166 | 133.7 Ų | 133.7 | 85% | 0.851 | 77% | 0.765 | S | S | * | * | trans | -132.2 | 136.3 | 168.8 | -56 | 178.9 | 0 | 0 | 0 | 108.2 | ||||
| 142 | A | 35 | Very low | 38 | Very low | 92 Ų | 92 | 135.9 Ų | 135.9 | 76% | 0.76 | 77% | 0.767 | S | S | * | * | trans | 94.5 | 84.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 143 | A | 44.2 | Very low | 38.3 | Very low | 108 Ų | 108 | 136.4 Ų | 136.4 | 89% | 0.893 | 76% | 0.764 | S | S | * | * | trans | -148.3 | 75.3 | 142 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 144 | T | 38.4 | Very low | 38.5 | Very low | 131 Ų | 131 | 134.4 Ų | 134.4 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | trans | -75 | 122 | 172.4 | 39.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 145 | A | 38 | Very low | 38.9 | Very low | 96 Ų | 96 | 134.9 Ų | 134.9 | 79% | 0.793 | 77% | 0.771 | S | S | * | * | trans | 26.2 | 100.1 | 140.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 146 | Q | 41.2 | Very low | 39.8 | Very low | 164 Ų | 164 | 133 Ų | 133 | 77% | 0.766 | 76% | 0.759 | S | S | * | * | trans | -148.9 | 95.6 | 157.3 | -163.1 | 141.6 | 5.6 | 0 | 0 | 110 | ||||
| 147 | S | 37.9 | Very low | 40.4 | Very low | 121 Ų | 121 | 128 Ų | 128 | 85% | 0.846 | 73% | 0.731 | S | S | * | * | trans | -177.6 | 72.7 | 160.4 | -78.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 148 | L | 41.6 | Very low | 41.5 | Very low | 106 Ų | 106 | 128.5 Ų | 128.5 | 56% | 0.555 | 74% | 0.741 | S | S | * | * | trans | -142.4 | 65.9 | 166.2 | -94.8 | 160.7 | 0 | 0 | 0 | 108.4 | A171 | L148-A171 HydrophobicContact CD1-CB 4.22Š| ||
| 149 | Y | 37.5 | Very low | 42.9 | Very low | 202 Ų | 202 | 124.7 Ų | 124.7 | 79% | 0.792 | 72% | 0.721 | S | S | * | * | trans | -136.2 | 89 | 172 | -68.8 | -72.1 | 0 | 0 | 0 | 109.3 | ||||
| 150 | S | 35.8 | Very low | 44.9 | Very low | 124 Ų | 124 | 120.9 Ų | 120.9 | 87% | 0.867 | 71% | 0.71 | S | S | * | * | trans | 161.8 | 77.5 | 146.6 | -78.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 151 | L | 37.5 | Very low | 46.8 | Very low | 137 Ų | 137 | 117 Ų | 117 | 72% | 0.717 | 69% | 0.692 | S | S | * | * | trans | -120.9 | 103.3 | 160.5 | -100.3 | 139.6 | 0 | 0 | 0 | 106.7 | ||||
| 152 | K | 34.5 | Very low | 48.7 | Very low | 214 Ų | 214 | 112.1 Ų | 112.1 | 93% | 0.93 | 67% | 0.667 | S | S | * | * | trans | -83.5 | 111.5 | 174.2 | -166.5 | 172.2 | -176.2 | 179.9 | 0 | 106.9 | ||||
| 153 | S | 45.3 | Very low | 50.8 | Low | 53 Ų | 53 | 111.6 Ų | 111.6 | 37% | 0.371 | 65% | 0.65 | S | S | . | * | trans | -98.3 | 144.1 | -174.6 | 141 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 154 | T | 42.7 | Very low | 52.7 | Low | 126 Ų | 126 | 110.3 Ų | 110.3 | 77% | 0.773 | 63% | 0.627 | S | S | * | * | trans | -87.3 | 133.7 | 179.3 | -20.5 | 0 | 0 | 0 | 0 | 109.6 | V156 | T154-V156 PolarHBondContact O-N 2.97Š| ||
| 155 | S | 42.2 | Very low | 54.9 | Low | 116 Ų | 116 | 104.1 Ų | 104.1 | 81% | 0.811 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -60.3 | 101.9 | -170.4 | 53.8 | 0 | 0 | 0 | 0 | 114.4 | ||
| 156 | V | 57.5 | Low | 57 | Low | 64 Ų | 64 | 101.1 Ų | 101.1 | 39% | 0.388 | 56% | 0.558 | S | S | . | * | trans | -122.3 | -8.3 | 160.4 | 179.9 | 0 | 0 | 0 | 0 | 111.4 | T154 | T154-V156 PolarHBondContact O-N 2.97Š| ||
| 157 | F | 54.7 | Low | 59.2 | Low | 56 Ų | 56 | 96.1 Ų | 96.1 | 25% | 0.246 | 54% | 0.541 | C | S | . | . | trans | -97.8 | 140.5 | -173.2 | -63.2 | -80.6 | 0 | 0 | 0 | 113.6 | G159 D162 Y166 L227 | F157-G159 PolarHBondContact O-N 3.29Å; F157-D162 HydrophobicContact CD1-CB 4.26Å; F157-Y166 HydrophobicContact CE1-CD2 4.06Å; F157-Y166 HydrophobicContact CE1-CG 4.19Å; F157-Y166 HydrophobicContact CE2-CD1 4.12Å; F157-Y166 HydrophobicContact CE2-CD2 4.35Å; F157-Y166 HydrophobicContact CE2-CE1 4.43Å; F157-Y166 HydrophobicContact CE2-CG 4.07Å; F157-Y166 AromaticContact CZ-CD1 3.99Å; F157-Y166 HydrophobicContact CZ-CD1 3.99Å; F157-Y166 AromaticContact CZ-CD2 3.44Å; F157-Y166 HydrophobicContact CZ-CD2 3.44Å; F157-Y166 VanDerWaalsContact CZ-CD2 3.44Å; F157-Y166 HydrophobicContact CZ-CE1 4.36Å; F157-Y166 AromaticContact CZ-CE2 3.87Å; F157-Y166 HydrophobicContact CZ-CE2 3.87Å; F157-Y166 AromaticContact CZ-CG 3.5Å; F157-Y166 HydrophobicContact CZ-CG 3.5Å; F157-L227 HydrophobicContact CD1-CD2 4.03Å; F157-L227 HydrophobicContact CE1-CD2 3.24Å; F157-L227 HydrophobicContact CZ-CD2 3.6Å | ||
| 158 | H | 59.6 | Low | 61.5 | Low | 188 Ų | 188 | 92.2 Ų | 92.2 | 87% | 0.87 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -95.4 | 59.4 | 176.3 | -71.3 | -61.8 | 0 | 0 | 0 | 112.1 | ||
| 159 | G | 67.5 | Low | 63.6 | Low | 39 Ų | 39 | 87.4 Ų | 87.4 | 40% | 0.402 | 49% | 0.485 | S | S | . | . | S | Bend | trans | 138.6 | 153.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | F157 L161 D162 E163 | F157-G159 PolarHBondContact O-N 3.29Å; G159-L161 VanDerWaalsContact C-N 3.33Å; G159-L161 PolarHBondContact O-N 3.42Å; G159-D162 PolarHBondContact O-N 3.48Å; G159-E163 PolarHBondContact O-N 2.94Å |
| 160 | G | 76.4 | Confident | 66.1 | Low | 57 Ų | 57 | 79.9 Ų | 79.9 | 59% | 0.588 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -68.1 | -24.3 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | L164 | G160-L164 PolarHBondContact O-N 3.05Å; G160-L164 VanDerWaalsContact O-N 3.11Å |
| 161 | L | 78.4 | Confident | 68.7 | Low | 98 Ų | 98 | 74.5 Ų | 74.5 | 51% | 0.513 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -73.2 | -37.3 | 176.3 | -70.7 | 177.2 | 0 | 0 | 0 | 112.3 | L89 G159 E163 L164 G165 | L89-L161 HydrophobicContact CD2-CD2 4.32Å; G159-L161 VanDerWaalsContact C-N 3.33Å; G159-L161 PolarHBondContact O-N 3.42Å; L161-E163 VanDerWaalsContact C-N 3.33Å; L161-L164 PolarHBondContact O-N 2.89Å; L161-G165 PolarHBondContact O-N 2.52Å |
| 162 | D | 76.1 | Confident | 71.2 | Confident | 62 Ų | 62 | 68 Ų | 68 | 33% | 0.332 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -67.4 | -39.3 | 177.3 | -63.7 | -21.4 | 0 | 0 | 0 | 110.7 | F157 G159 G165 Y166 | F157-D162 HydrophobicContact CD1-CB 4.26Å; G159-D162 PolarHBondContact O-N 3.48Å; D162-G165 PolarHBondContact O-N 3.45Å; D162-Y166 WeakPolarHBondContact O-CB 3.33Å; D162-Y166 PolarHBondContact O-N 3.38Å |
| 163 | E | 81 | Confident | 73.9 | Confident | 82 Ų | 82 | 58.4 Ų | 58.4 | 38% | 0.383 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.9 | -40.4 | 174.1 | -173.9 | 171.4 | -157.4 | 0 | 0 | 112.3 | G159 L161 Y166 S167 | G159-E163 PolarHBondContact O-N 2.94Å; L161-E163 VanDerWaalsContact C-N 3.33Å; E163-Y166 PolarHBondContact O-N 3.26Å; E163-S167 WeakPolarHBondContact O-CB 3.36Å; E163-S167 PolarHBondContact O-N 2.89Å; E163-S167 PolarHBondContact O-OG 3.23Å |
| 164 | L | 83.4 | Confident | 76.2 | Confident | 81 Ų | 81 | 60.3 Ų | 60.3 | 42% | 0.424 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -66.3 | -42.6 | 175.6 | -176.5 | 60.3 | 0 | 0 | 0 | 111.4 | L89 G160 L161 S167 M168 | L89-L164 HydrophobicContact CD1-CD2 3.81Å; L89-L164 HydrophobicContact CD1-CG 4.05Å; G160-L164 PolarHBondContact O-N 3.05Å; G160-L164 VanDerWaalsContact O-N 3.11Å; L161-L164 PolarHBondContact O-N 2.89Å; L164-S167 WeakPolarHBondContact O-CB 3.21Å; L164-S167 PolarHBondContact O-N 2.88Å; L164-M168 WeakPolarHBondContact O-CG 3.34Å; L164-M168 PolarHBondContact O-N 3.04Å |
| 165 | G | 83.3 | Confident | 78.6 | Confident | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.01 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.8 | -40.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | S90 L161 D162 S167 M168 G169 | S90-G165 WeakPolarHBondContact OG-CA 3.47Å; L161-G165 PolarHBondContact O-N 2.52Å; D162-G165 PolarHBondContact O-N 3.45Å; G165-S167 PolarHBondContact O-N 3.37Å; G165-M168 WeakPolarHBondContact O-CB 3.48Å; G165-M168 PolarHBondContact O-N 2.92Å; G165-G169 PolarHBondContact O-N 3.47Å |
| 166 | Y | 82.7 | Confident | 81.1 | Confident | 33 Ų | 33 | 53 Ų | 53 | 13% | 0.129 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.8 | -42.4 | 172.4 | -176.4 | -97.3 | 0 | 0 | 0 | 112 | F157 D162 E163 M168 G169 I170 L226 P230 W231 | F157-Y166 HydrophobicContact CE1-CD2 4.06Å; F157-Y166 HydrophobicContact CE1-CG 4.19Å; F157-Y166 HydrophobicContact CE2-CD1 4.12Å; F157-Y166 HydrophobicContact CE2-CD2 4.35Å; F157-Y166 HydrophobicContact CE2-CE1 4.43Å; F157-Y166 HydrophobicContact CE2-CG 4.07Å; F157-Y166 AromaticContact CZ-CD1 3.99Å; F157-Y166 HydrophobicContact CZ-CD1 3.99Å; F157-Y166 AromaticContact CZ-CD2 3.44Å; F157-Y166 HydrophobicContact CZ-CD2 3.44Å; F157-Y166 VanDerWaalsContact CZ-CD2 3.44Å; F157-Y166 HydrophobicContact CZ-CE1 4.36Å; F157-Y166 AromaticContact CZ-CE2 3.87Å; F157-Y166 HydrophobicContact CZ-CE2 3.87Å; F157-Y166 AromaticContact CZ-CG 3.5Å; F157-Y166 HydrophobicContact CZ-CG 3.5Å; D162-Y166 WeakPolarHBondContact O-CB 3.33Å; D162-Y166 PolarHBondContact O-N 3.38Å; E163-Y166 PolarHBondContact O-N 3.26Å; Y166-M168 VanDerWaalsContact C-N 3.32Å; Y166-M168 PolarHBondContact O-N 3.26Å; Y166-G169 WeakPolarHBondContact O-CA 3.43Å; Y166-G169 PolarHBondContact O-N 2.75Å; Y166-G169 VanDerWaalsContact O-N 3.09Å; Y166-I170 HydrophobicContact CD1-CD1 3.93Å; Y166-I170 HydrophobicContact CE1-CD1 3.51Å; Y166-I170 HydrophobicContact CE1-CG1 4.2Å; Y166-I170 PolarHBondContact O-N 2.91Å; Y166-L226 PolarHBondContact OH-O 3.46Å; Y166-L226 VanDerWaalsContact OH-O 3.12Å; Y166-P230 HydrophobicContact CD2-CG 4.21Å; Y166-P230 HydrophobicContact CE1-CG 4.14Å; Y166-P230 HydrophobicContact CE2-CG 3.43Å; Y166-P230 VanDerWaalsContact CE2-CG 3.43Å; Y166-P230 WeakPolarHBondContact OH-CD 3.34Å; Y166-P230 WeakPolarHBondContact OH-CG 3.41Å; Y166-W231 HydrophobicContact CD2-CH2 4.05Å; Y166-W231 AromaticContact CD2-CZ3 3.81Å; Y166-W231 HydrophobicContact CD2-CZ3 3.81Å; Y166-W231 HydrophobicContact CE2-CZ3 4.04Å |
| 167 | S | 87.5 | Confident | 82.8 | Confident | 59 Ų | 59 | 52.3 Ų | 52.3 | 41% | 0.413 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.7 | -39.9 | 175.3 | -59.4 | 0 | 0 | 0 | 0 | 112.1 | E163 L164 G165 G169 I170 A171 | E163-S167 WeakPolarHBondContact O-CB 3.36Å; E163-S167 PolarHBondContact O-N 2.89Å; E163-S167 PolarHBondContact O-OG 3.23Å; L164-S167 WeakPolarHBondContact O-CB 3.21Å; L164-S167 PolarHBondContact O-N 2.88Å; G165-S167 PolarHBondContact O-N 3.37Å; S167-G169 VanDerWaalsContact C-N 3.33Å; S167-I170 PolarHBondContact O-N 3.29Å; S167-A171 PolarHBondContact O-N 3.41Å |
| 168 | M | 86.9 | Confident | 84.4 | Confident | 39 Ų | 39 | 51.1 Ų | 51.1 | 19% | 0.192 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.7 | -36.7 | 172.7 | -71.7 | -174.3 | 169.2 | 0 | 0 | 112.2 | A85 G86 L89 L164 G165 Y166 A171 S172 | A85-M168 HydrophobicContact CB-CE 4.13Å; A85-M168 HydrophobicContact CB-SD 3.59Å; A85-M168 VanDerWaalsContact CB-SD 3.59Å; G86-M168 PolarHBondContact N-SD 3.12Å; G86-M168 VanDerWaalsContact N-SD 3.39Å; L89-M168 HydrophobicContact CD1-CE 3.58Å; L89-M168 HydrophobicContact CD1-SD 3.58Å; L89-M168 VanDerWaalsContact CD1-SD 3.58Å; L164-M168 WeakPolarHBondContact O-CG 3.34Å; L164-M168 PolarHBondContact O-N 3.04Å; G165-M168 WeakPolarHBondContact O-CB 3.48Å; G165-M168 PolarHBondContact O-N 2.92Å; Y166-M168 VanDerWaalsContact C-N 3.32Å; Y166-M168 PolarHBondContact O-N 3.26Å; M168-A171 PolarHBondContact O-N 3.33Å; M168-S172 VanDerWaalsContact O-CB 3.26Å; M168-S172 WeakPolarHBondContact O-CB 2.95Å; M168-S172 PolarHBondContact O-N 2.91Å |
| 169 | G | 86.1 | Confident | 85.9 | Confident | 4 Ų | 4 | 42.2 Ų | 42.2 | 4% | 0.041 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.9 | -43.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | G165 Y166 S167 S172 A173 | G165-G169 PolarHBondContact O-N 3.47Å; Y166-G169 WeakPolarHBondContact O-CA 3.43Å; Y166-G169 PolarHBondContact O-N 2.75Å; Y166-G169 VanDerWaalsContact O-N 3.09Å; S167-G169 VanDerWaalsContact C-N 3.33Å; G169-S172 PolarHBondContact O-N 3.4Å; G169-A173 PolarHBondContact O-N 3.49Å |
| 170 | I | 88.6 | Confident | 87.2 | Confident | 44 Ų | 44 | 40.6 Ų | 40.6 | 23% | 0.226 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.8 | -49.3 | 173 | -67.1 | 170.8 | 0 | 0 | 0 | 110.9 | Y166 S167 S172 A173 I174 P230 | Y166-I170 HydrophobicContact CD1-CD1 3.93Å; Y166-I170 HydrophobicContact CE1-CD1 3.51Å; Y166-I170 HydrophobicContact CE1-CG1 4.2Å; Y166-I170 PolarHBondContact O-N 2.91Å; S167-I170 PolarHBondContact O-N 3.29Å; I170-S172 VanDerWaalsContact C-N 3.3Å; I170-S172 PolarHBondContact O-N 2.76Å; I170-A173 PolarHBondContact O-N 3.01Å; I170-I174 HydrophobicContact CG2-CD1 4.05Å; I170-I174 WeakPolarHBondContact O-CG1 3.39Å; I170-I174 PolarHBondContact O-N 3.24Å; I170-P230 HydrophobicContact CD1-CG 4.31Å; I170-P230 HydrophobicContact CG1-CB 3.71Å; I170-P230 HydrophobicContact CG1-CG 3.53Å |
| 171 | A | 90.6 | Very high | 88.1 | Confident | 11 Ų | 11 | 42.4 Ų | 42.4 | 9% | 0.091 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.2 | -42 | -180 | 0 | 0 | 0 | 0 | 0 | 111.5 | L82 L148 S167 M168 I174 F175 | L82-A171 HydrophobicContact CD1-CB 3.96Å; L148-A171 HydrophobicContact CD1-CB 4.22Å; S167-A171 PolarHBondContact O-N 3.41Å; M168-A171 PolarHBondContact O-N 3.33Å; A171-I174 WeakPolarHBondContact O-CB 3.47Å; A171-I174 PolarHBondContact O-N 3.18Å; A171-F175 WeakPolarHBondContact O-CD2 3.26Å; A171-F175 PolarHBondContact O-N 3.29Å |
| 172 | S | 91.2 | Very high | 88.7 | Confident | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.014 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.9 | -49 | 174.4 | 178.2 | 0 | 0 | 0 | 0 | 111.9 | G79 M168 G169 I170 I174 F175 Y176 | G79-S172 WeakPolarHBondContact O-CB 3.01Å; G79-S172 PolarHBondContact O-OG 3.37Å; M168-S172 VanDerWaalsContact O-CB 3.26Å; M168-S172 WeakPolarHBondContact O-CB 2.95Å; M168-S172 PolarHBondContact O-N 2.91Å; G169-S172 PolarHBondContact O-N 3.4Å; I170-S172 VanDerWaalsContact C-N 3.3Å; I170-S172 PolarHBondContact O-N 2.76Å; S172-I174 VanDerWaalsContact C-N 3.3Å; S172-I174 PolarHBondContact O-N 3.34Å; S172-F175 PolarHBondContact O-N 3Å; S172-F175 VanDerWaalsContact O-N 3.07Å; S172-Y176 WeakPolarHBondContact O-CD2 3.49Å; S172-Y176 PolarHBondContact O-N 3.33Å; S172-Y176 WeakPolarHBondContact OG-CE2 3.33Å; S172-Y176 PolarHBondContact OG-OH 3.45Å |
| 173 | A | 90.9 | Very high | 89.7 | Confident | 11 Ų | 11 | 36.5 Ų | 36.5 | 9% | 0.091 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.7 | -40.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | G169 I170 Y176 L177 P230 | G169-A173 PolarHBondContact O-N 3.49Å; I170-A173 PolarHBondContact O-N 3.01Å; A173-Y176 PolarHBondContact O-N 3.39Å; A173-L177 WeakPolarHBondContact O-CG 3.32Å; A173-L177 PolarHBondContact O-N 3.39Å; A173-P230 WeakPolarHBondContact CB-O 3.4Å |
| 174 | I | 93.2 | Very high | 90.4 | Very high | 93 Ų | 93 | 33.6 Ų | 33.6 | 48% | 0.477 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -61.3 | -44.2 | 174.8 | -68.6 | 168.1 | 0 | 0 | 0 | 110.8 | I170 A171 S172 G178 | I170-I174 HydrophobicContact CG2-CD1 4.05Å; I170-I174 WeakPolarHBondContact O-CG1 3.39Å; I170-I174 PolarHBondContact O-N 3.24Å; A171-I174 WeakPolarHBondContact O-CB 3.47Å; A171-I174 PolarHBondContact O-N 3.18Å; S172-I174 VanDerWaalsContact C-N 3.3Å; S172-I174 PolarHBondContact O-N 3.34Å; I174-G178 WeakPolarHBondContact O-CA 3.47Å; I174-G178 PolarHBondContact O-N 3.07Å |
| 175 | F | 93.4 | Very high | 90.9 | Very high | 53 Ų | 53 | 36.7 Ų | 36.7 | 23% | 0.232 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.2 | -42.6 | 177.7 | -83.6 | -68 | 0 | 0 | 0 | 112.5 | C75 L78 L82 A171 S172 L177 G178 G179 | C75-F175 HydrophobicContact CB-CD1 4.2Å; C75-F175 WeakPolarHBondContact CB-O 3.4Å; C75-F175 WeakPolarHBondContact O-CB 3.44Å; L78-F175 HydrophobicContact CB-CD1 4.04Å; L78-F175 HydrophobicContact CB-CD2 4.37Å; L78-F175 HydrophobicContact CB-CE1 4.16Å; L78-F175 HydrophobicContact CB-CE2 4.49Å; L78-F175 HydrophobicContact CB-CG 4.16Å; L78-F175 HydrophobicContact CB-CZ 4.39Å; L78-F175 HydrophobicContact CD1-CD1 4.21Å; L78-F175 HydrophobicContact CD1-CE1 3.68Å; L78-F175 HydrophobicContact CD1-CZ 4.09Å; L82-F175 HydrophobicContact CD1-CD2 3.43Å; L82-F175 VanDerWaalsContact CD1-CD2 3.43Å; L82-F175 HydrophobicContact CD1-CE2 3.47Å; L82-F175 VanDerWaalsContact CD1-CE2 3.47Å; A171-F175 WeakPolarHBondContact O-CD2 3.26Å; A171-F175 PolarHBondContact O-N 3.29Å; S172-F175 PolarHBondContact O-N 3Å; S172-F175 VanDerWaalsContact O-N 3.07Å; F175-L177 PolarHBondContact O-N 3.3Å; F175-G178 PolarHBondContact O-N 3.05Å; F175-G179 PolarHBondContact O-N 3.33Å |
| 176 | Y | 94.2 | Very high | 91.2 | Very high | 35 Ų | 35 | 38.1 Ų | 38.1 | 14% | 0.137 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.4 | -49.3 | 176.4 | -62.1 | -38.2 | 0 | 0 | 0 | 111.6 | W76 G79 D80 N83 S172 A173 R180 | W76-Y176 AromaticContact CD1-CE1 3.89Å; G79-Y176 VanDerWaalsContact C-CE1 3.5Å; G79-Y176 PolarHBondContact O-OH 2.89Å; D80-Y176 WeakPolarHBondContact OD1-CE1 3.38Å; D80-Y176 VanDerWaalsContact OD1-CZ 3.22Å; D80-Y176 PolarHBondContact OD1-OH 3.46Å; N83-Y176 WeakPolarHBondContact CB-OH 3.26Å; N83-Y176 PolarHBondContact ND2-OH 2.82Å; N83-Y176 VanDerWaalsContact ND2-OH 3.12Å; S172-Y176 WeakPolarHBondContact O-CD2 3.49Å; S172-Y176 PolarHBondContact O-N 3.33Å; S172-Y176 WeakPolarHBondContact OG-CE2 3.33Å; S172-Y176 PolarHBondContact OG-OH 3.45Å; A173-Y176 PolarHBondContact O-N 3.39Å; Y176-R180 WeakPolarHBondContact O-CD 3.47Å; Y176-R180 PolarHBondContact O-NH1 2.93Å |
| 177 | L | 92.9 | Very high | 91.9 | Very high | 50 Ų | 50 | 36.5 Ų | 36.5 | 26% | 0.262 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -65.9 | -47.9 | 177.8 | -66.7 | 171.5 | 0 | 0 | 0 | 111.4 | A173 F175 G179 R180 L241 | A173-L177 WeakPolarHBondContact O-CG 3.32Å; A173-L177 PolarHBondContact O-N 3.39Å; F175-L177 PolarHBondContact O-N 3.3Å; L177-G179 VanDerWaalsContact C-N 3.29Å; L177-G179 PolarHBondContact O-N 3.26Å; L177-R180 PolarHBondContact O-N 3.23Å; L177-L241 HydrophobicContact CB-CD1 4.33Å; L177-L241 HydrophobicContact CD2-CD1 3.87Å |
| 178 | G | 89.7 | Confident | 92.2 | Very high | 31 Ų | 31 | 39.9 Ų | 39.9 | 32% | 0.32 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -60.7 | -35.9 | -178 | 0 | 0 | 0 | 0 | 0 | 112.9 | I174 F175 R180 I181 P182 | I174-G178 WeakPolarHBondContact O-CA 3.47Å; I174-G178 PolarHBondContact O-N 3.07Å; F175-G178 PolarHBondContact O-N 3.05Å; G178-R180 VanDerWaalsContact C-N 3.29Å; G178-R180 PolarHBondContact O-N 3.01Å; G178-I181 PolarHBondContact O-N 3.44Å; G178-P182 WeakPolarHBondContact O-CD 3.42Å |
| 179 | G | 90 | Very high | 92.5 | Very high | 2 Ų | 2 | 45.3 Ų | 45.3 | 2% | 0.021 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.7 | -32.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | F72 C75 F175 L177 I181 P182 | F72-G179 WeakPolarHBondContact CA-O 3.34Å; F72-G179 WeakPolarHBondContact CB-O 3.46Å; F72-G179 WeakPolarHBondContact CD2-O 3.28Å; C75-G179 VanDerWaalsContact CB-CA 3.49Å; F175-G179 PolarHBondContact O-N 3.33Å; L177-G179 VanDerWaalsContact C-N 3.29Å; L177-G179 PolarHBondContact O-N 3.26Å; G179-I181 VanDerWaalsContact C-N 3.32Å; G179-I181 PolarHBondContact O-N 3.04Å; G179-P182 WeakPolarHBondContact O-CD 3.39Å |
| 180 | R | 95.6 | Very high | 92.9 | Very high | 4 Ų | 4 | 48.8 Ų | 48.8 | 2% | 0.015 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -70.2 | -28 | 178.7 | -77.8 | 134.9 | 175.8 | 102.8 | -2.1 | 112.8 | F72 Y176 L177 G178 Q183 L184 C238 L241 D242 I245 | F72-R180 HydrophobicContact CD2-CG 4.36Å; F72-R180 HydrophobicContact CE2-CG 4.01Å; Y176-R180 WeakPolarHBondContact O-CD 3.47Å; Y176-R180 PolarHBondContact O-NH1 2.93Å; L177-R180 PolarHBondContact O-N 3.23Å; G178-R180 VanDerWaalsContact C-N 3.29Å; G178-R180 PolarHBondContact O-N 3.01Å; R180-Q183 WeakPolarHBondContact O-CB 3.43Å; R180-Q183 PolarHBondContact O-N 3.31Å; R180-Q183 VanDerWaalsContact O-N 3.16Å; R180-L184 WeakPolarHBondContact O-CB 3.33Å; R180-L184 WeakPolarHBondContact O-CG 3.42Å; R180-L184 PolarHBondContact O-N 3.43Å; R180-C238 PolarHBondContact NE-SG 2.77Å; R180-C238 PolarHBondContact NH1-SG 2.98Å; R180-C238 VanDerWaalsContact NH1-SG 3.37Å; R180-L241 HydrophobicContact CB-CB 3.92Å; R180-L241 HydrophobicContact CB-CD1 3.82Å; R180-L241 HydrophobicContact CB-CG 4.42Å; R180-L241 HydrophobicContact CG-CB 4.16Å; R180-L241 HydrophobicContact CG-CD1 4.45Å; R180-D242 IonicContact CZ-OD1 3.2Å; R180-D242 IonicContact NE-OD1 3.74Å; R180-D242 PolarHBondContact NE-OD1 3.25Å; R180-D242 IonicContact NE-OD2 3.59Å; R180-D242 IonicContact NH2-OD1 3.78Å; R180-D242 IonicContact NH2-OD2 3.57Å; R180-I245 HydrophobicContact CG-CD1 4.4Å |
| 181 | I | 94.2 | Very high | 93.2 | Very high | 95 Ų | 95 | 52.1 Ų | 52.1 | 49% | 0.487 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.8 | -50 | -178.1 | -54.8 | -56.9 | 0 | 0 | 0 | 112 | G178 G179 Q183 L184 Y185 L241 | G178-I181 PolarHBondContact O-N 3.44Å; G179-I181 VanDerWaalsContact C-N 3.32Å; G179-I181 PolarHBondContact O-N 3.04Å; I181-Q183 VanDerWaalsContact C-N 3.26Å; I181-Q183 PolarHBondContact O-N 2.93Å; I181-L184 HydrophobicContact CD1-CD1 4.32Å; I181-L184 PolarHBondContact O-N 3.18Å; I181-Y185 WeakPolarHBondContact O-CB 3.49Å; I181-Y185 PolarHBondContact O-N 3.32Å; I181-L241 HydrophobicContact CD1-CD1 4.42Å; I181-L241 HydrophobicContact CD1-CD2 3.97Å |
| 182 | P | 90.8 | Very high | 93.5 | Very high | 36 Ų | 36 | 53 Ų | 53 | 23% | 0.234 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -57.1 | -35.3 | 170.5 | -27.9 | 34.5 | 0 | 0 | 0 | 114.1 | Y71 G178 G179 S186 | Y71-P182 HydrophobicContact CD2-CB 4.41Å; G178-P182 WeakPolarHBondContact O-CD 3.42Å; G179-P182 WeakPolarHBondContact O-CD 3.39Å; P182-S186 VanDerWaalsContact O-CB 3.25Å; P182-S186 WeakPolarHBondContact O-CB 3.33Å; P182-S186 PolarHBondContact O-N 3.26Å |
| 183 | Q | 97 | Very high | 93.7 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -68 | -47.3 | 177.8 | -172.8 | 60.6 | 63.5 | 0 | 0 | 111.3 | G67 F72 R180 I181 Y185 S186 N187 F201 I245 | G67-Q183 PolarHBondContact O-NE2 3.42Å; G67-Q183 VanDerWaalsContact O-NE2 3.13Å; F72-Q183 HydrophobicContact CB-CB 4.19Å; F72-Q183 HydrophobicContact CD2-CB 4.33Å; F72-Q183 HydrophobicContact CG-CB 4.36Å; R180-Q183 WeakPolarHBondContact O-CB 3.43Å; R180-Q183 PolarHBondContact O-N 3.31Å; R180-Q183 VanDerWaalsContact O-N 3.16Å; I181-Q183 VanDerWaalsContact C-N 3.26Å; I181-Q183 PolarHBondContact O-N 2.93Å; Q183-Y185 VanDerWaalsContact C-N 3.33Å; Q183-Y185 PolarHBondContact O-N 3.48Å; Q183-S186 PolarHBondContact O-N 2.9Å; Q183-N187 PolarHBondContact NE2-OD1 3.48Å; Q183-N187 PolarHBondContact O-N 3.36Å; Q183-N187 PolarHBondContact O-ND2 3.49Å; Q183-N187 PolarHBondContact O-OD1 3.42Å; Q183-F201 HydrophobicContact CG-CZ 4.18Å; Q183-I245 HydrophobicContact CB-CD1 4.36Å; Q183-I245 HydrophobicContact CG-CD1 4.12Å |
| 184 | L | 95.5 | Very high | 93.8 | Very high | 21 Ų | 21 | 57.8 Ų | 57.8 | 11% | 0.11 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -56.8 | -46.5 | 174.9 | -79.5 | 165.7 | 0 | 0 | 0 | 111.6 | R180 I181 N187 F188 L241 I244 I245 Q248 | R180-L184 WeakPolarHBondContact O-CB 3.33Å; R180-L184 WeakPolarHBondContact O-CG 3.42Å; R180-L184 PolarHBondContact O-N 3.43Å; I181-L184 HydrophobicContact CD1-CD1 4.32Å; I181-L184 PolarHBondContact O-N 3.18Å; L184-N187 PolarHBondContact O-N 3.38Å; L184-F188 WeakPolarHBondContact O-CB 3.21Å; L184-F188 PolarHBondContact O-N 3.09Å; L184-L241 HydrophobicContact CD1-CD2 3.86Å; L184-I244 HydrophobicContact CD2-CB 3.9Å; L184-I244 HydrophobicContact CD2-CG2 3.44Å; L184-I244 VanDerWaalsContact CD2-CG2 3.44Å; L184-I245 HydrophobicContact CD2-CB 4.48Å; L184-I245 HydrophobicContact CD2-CD1 4.41Å; L184-I245 HydrophobicContact CD2-CG1 3.44Å; L184-I245 VanDerWaalsContact CD2-CG1 3.44Å; L184-I245 HydrophobicContact CG-CD1 4.21Å; L184-I245 HydrophobicContact CG-CG1 3.75Å; L184-Q248 PolarHBondContact O-NE2 2.95Å |
| 185 | Y | 93.9 | Very high | 93.8 | Very high | 147 Ų | 147 | 53.7 Ų | 53.7 | 58% | 0.576 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -63.4 | -43.8 | 176.5 | 176.3 | -101.1 | 0 | 0 | 0 | 112.1 | I181 Q183 N187 F188 K189 | I181-Y185 WeakPolarHBondContact O-CB 3.49Å; I181-Y185 PolarHBondContact O-N 3.32Å; Q183-Y185 VanDerWaalsContact C-N 3.33Å; Q183-Y185 PolarHBondContact O-N 3.48Å; Y185-N187 VanDerWaalsContact C-N 3.33Å; Y185-N187 PolarHBondContact O-N 2.98Å; Y185-F188 PolarHBondContact O-N 3.46Å; Y185-K189 HydrophobicContact CE1-CD 4.22Å; Y185-K189 WeakPolarHBondContact O-CB 3.41Å; Y185-K189 PolarHBondContact O-N 2.86Å |
| 186 | S | 91.5 | Very high | 93.9 | Very high | 30 Ų | 30 | 51.9 Ų | 51.9 | 21% | 0.21 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61 | -42.7 | 177.5 | -171.5 | 0 | 0 | 0 | 0 | 111.7 | P182 Q183 K189 R190 | P182-S186 VanDerWaalsContact O-CB 3.25Å; P182-S186 WeakPolarHBondContact O-CB 3.33Å; P182-S186 PolarHBondContact O-N 3.26Å; Q183-S186 PolarHBondContact O-N 2.9Å; S186-K189 PolarHBondContact O-N 2.95Å; S186-R190 WeakPolarHBondContact O-CG 3.49Å; S186-R190 PolarHBondContact O-N 3.44Å; S186-R190 VanDerWaalsContact O-N 3.1Å; S186-R190 PolarHBondContact OG-NH1 2.96Å |
| 187 | N | 95.7 | Very high | 94 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.3 | -44.5 | 176.3 | -65.8 | -8.2 | 0 | 0 | 0 | 111.6 | Q183 L184 Y185 R190 L191 S192 T193 I196 Q248 Y252 | Q183-N187 PolarHBondContact NE2-OD1 3.48Å; Q183-N187 PolarHBondContact O-N 3.36Å; Q183-N187 PolarHBondContact O-ND2 3.49Å; Q183-N187 PolarHBondContact O-OD1 3.42Å; L184-N187 PolarHBondContact O-N 3.38Å; Y185-N187 VanDerWaalsContact C-N 3.33Å; Y185-N187 PolarHBondContact O-N 2.98Å; N187-R190 PolarHBondContact O-N 3.5Å; N187-R190 PolarHBondContact OD1-NH2 2.87Å; N187-L191 WeakPolarHBondContact O-CA 3.29Å; N187-L191 PolarHBondContact O-N 3.29Å; N187-S192 PolarHBondContact O-N 3.29Å; N187-T193 HydrophobicContact CB-CG2 4.41Å; N187-I196 WeakPolarHBondContact OD1-CD1 3.32Å; N187-Q248 PolarHBondContact ND2-OE1 3.49Å; N187-Y252 HydrophobicContact CB-CE2 4.34Å; N187-Y252 WeakPolarHBondContact O-CE2 3.33Å |
| 188 | F | 94.8 | Very high | 94.2 | Very high | 129 Ų | 129 | 49 Ų | 49 | 57% | 0.566 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -61.2 | -47.9 | 177 | 177.8 | -98.4 | 0 | 0 | 0 | 111.9 | L184 Y185 R190 L191 Y252 | L184-F188 WeakPolarHBondContact O-CB 3.21Å; L184-F188 PolarHBondContact O-N 3.09Å; Y185-F188 PolarHBondContact O-N 3.46Å; F188-R190 VanDerWaalsContact C-N 3.3Å; F188-R190 PolarHBondContact O-N 2.92Å; F188-L191 WeakPolarHBondContact O-CD2 3.25Å; F188-L191 PolarHBondContact O-N 3.23Å; F188-L191 VanDerWaalsContact O-N 3.11Å; F188-Y252 WeakPolarHBondContact CA-OH 3.39Å |
| 189 | K | 93.4 | Very high | 94.6 | Very high | 153 Ų | 153 | 50.5 Ų | 50.5 | 67% | 0.665 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -61.8 | -36.7 | 179.5 | -175.2 | 177.3 | 179.9 | 178.8 | 0 | 112.8 | Y185 S186 | Y185-K189 HydrophobicContact CE1-CD 4.22Å; Y185-K189 WeakPolarHBondContact O-CB 3.41Å; Y185-K189 PolarHBondContact O-N 2.86Å; S186-K189 PolarHBondContact O-N 2.95Å |
| 190 | R | 93.8 | Very high | 94.9 | Very high | 77 Ų | 77 | 50.4 Ų | 50.4 | 29% | 0.291 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -84.3 | -10.6 | 177.9 | -65 | -172.4 | -41.9 | -112.5 | -11.8 | 113.5 | E66 G67 S186 N187 F188 S192 | E66-R190 PolarHBondContact O-NH1 3.01Å; G67-R190 PolarHBondContact O-NH1 2.85Å; G67-R190 PolarHBondContact O-NH2 3.35Å; S186-R190 WeakPolarHBondContact O-CG 3.49Å; S186-R190 PolarHBondContact O-N 3.44Å; S186-R190 VanDerWaalsContact O-N 3.1Å; S186-R190 PolarHBondContact OG-NH1 2.96Å; N187-R190 PolarHBondContact O-N 3.5Å; N187-R190 PolarHBondContact OD1-NH2 2.87Å; F188-R190 VanDerWaalsContact C-N 3.3Å; F188-R190 PolarHBondContact O-N 2.92Å; R190-S192 PolarHBondContact NE-O 2.96Å; R190-S192 PolarHBondContact NH2-O 3.07Å; R190-S192 WeakPolarHBondContact O-CB 3.23Å; R190-S192 PolarHBondContact O-N 3.46Å; R190-S192 VanDerWaalsContact O-N 3.08Å |
| 191 | L | 95.4 | Very high | 95 | Very high | 114 Ų | 114 | 50.2 Ų | 50.2 | 60% | 0.597 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.1 | 35.3 | -167.3 | -59.8 | 172.3 | 0 | 0 | 0 | 112.1 | N187 F188 Y252 | N187-L191 WeakPolarHBondContact O-CA 3.29Å; N187-L191 PolarHBondContact O-N 3.29Å; F188-L191 WeakPolarHBondContact O-CD2 3.25Å; F188-L191 PolarHBondContact O-N 3.23Å; F188-L191 VanDerWaalsContact O-N 3.11Å; L191-Y252 VanDerWaalsContact C-CG 3.45Å; L191-Y252 HydrophobicContact CB-CD1 4.34Å; L191-Y252 HydrophobicContact CB-CE1 4.37Å; L191-Y252 HydrophobicContact CD2-CE1 3.88Å; L191-Y252 WeakPolarHBondContact O-CB 3.19Å; L191-Y252 VanDerWaalsContact O-CG 3.31Å |
| 192 | S | 95.5 | Very high | 95.2 | Very high | 30 Ų | 30 | 50.2 Ų | 50.2 | 21% | 0.21 | 24% | 0.241 | C | C | . | . | trans | -161.5 | 140.9 | -171.5 | -179.9 | 0 | 0 | 0 | 0 | 111.1 | N187 R190 E194 | N187-S192 PolarHBondContact O-N 3.29Å; R190-S192 PolarHBondContact NE-O 2.96Å; R190-S192 PolarHBondContact NH2-O 3.07Å; R190-S192 WeakPolarHBondContact O-CB 3.23Å; R190-S192 PolarHBondContact O-N 3.46Å; R190-S192 VanDerWaalsContact O-N 3.08Å; S192-E194 WeakPolarHBondContact OG-CB 3.12Å; S192-E194 PolarHBondContact OG-N 3.28Å | ||
| 193 | T | 95.9 | Very high | 95.6 | Very high | 11 Ų | 11 | 50.6 Ų | 50.6 | 7% | 0.067 | 24% | 0.241 | C | C | . | . | trans | -99.4 | 14.2 | 169.3 | 55.5 | 0 | 0 | 0 | 0 | 112.2 | N187 G195 I196 M198 Q248 H249 Y252 | N187-T193 HydrophobicContact CB-CG2 4.41Å; T193-G195 PolarHBondContact O-N 3.24Å; T193-I196 VanDerWaalsContact O-CB 3.3Å; T193-I196 WeakPolarHBondContact O-CB 3.27Å; T193-I196 PolarHBondContact O-N 3.46Å; T193-I196 VanDerWaalsContact O-N 3.1Å; T193-M198 HydrophobicContact CG2-CE 3.84Å; T193-Q248 HydrophobicContact CG2-CB 4.22Å; T193-H249 HydrophobicContact CG2-CB 4.1Å; T193-H249 WeakPolarHBondContact OG1-CA 3.38Å; T193-H249 PolarHBondContact OG1-ND1 3.44Å; T193-Y252 HydrophobicContact CG2-CD2 4.29Å | ||
| 194 | E | 93.8 | Very high | 95.6 | Very high | 103 Ų | 103 | 50.6 Ų | 50.6 | 48% | 0.481 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | 135.7 | 178.2 | -176.1 | 177.9 | 165.6 | 0 | 0 | 111.5 | R62 G67 S192 I196 | R62-E194 IonicContact CZ-OE1 3.51Å; R62-E194 IonicContact NH1-OE1 3.92Å; R62-E194 PolarHBondContact NH1-OE1 3.04Å; R62-E194 IonicContact NH2-OE1 2.9Å; R62-E194 PolarHBondContact NH2-OE1 3.4Å; G67-E194 WeakPolarHBondContact CA-O 3Å; S192-E194 WeakPolarHBondContact OG-CB 3.12Å; S192-E194 PolarHBondContact OG-N 3.28Å; E194-I196 VanDerWaalsContact C-N 3.29Å |
| 195 | G | 93.5 | Very high | 95.7 | Very high | 6 Ų | 6 | 52.6 Ų | 52.6 | 6% | 0.062 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.6 | -6.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q55 R62 T193 | Q55-G195 PolarHBondContact NE2-O 2.98Å; R62-G195 VanDerWaalsContact NH1-CA 3.32Å; R62-G195 VanDerWaalsContact NH1-N 3.1Å; T193-G195 PolarHBondContact O-N 3.24Å |
| 196 | I | 95.5 | Very high | 96 | Very high | 15 Ų | 15 | 47.1 Ų | 47.1 | 8% | 0.077 | 23% | 0.234 | C | C | . | . | trans | -96.9 | 133.6 | 173.8 | -55.5 | 171.3 | 0 | 0 | 0 | 109.3 | G67 N187 T193 E194 M198 F201 | G67-I196 WeakPolarHBondContact O-CD1 3.45Å; G67-I196 WeakPolarHBondContact O-CG1 3.36Å; N187-I196 WeakPolarHBondContact OD1-CD1 3.32Å; T193-I196 VanDerWaalsContact O-CB 3.3Å; T193-I196 WeakPolarHBondContact O-CB 3.27Å; T193-I196 PolarHBondContact O-N 3.46Å; T193-I196 VanDerWaalsContact O-N 3.1Å; E194-I196 VanDerWaalsContact C-N 3.29Å; I196-M198 HydrophobicContact CB-CE 4Å; I196-M198 HydrophobicContact CG2-CE 3.89Å; I196-M198 PolarHBondContact O-N 2.8Å; I196-F201 HydrophobicContact CG2-CD2 3.79Å; I196-F201 HydrophobicContact CG2-CE2 3.46Å; I196-F201 VanDerWaalsContact CG2-CE2 3.46Å | ||
| 197 | S | 96.5 | Very high | 96.3 | Very high | 10 Ų | 10 | 45.7 Ų | 45.7 | 7% | 0.07 | 22% | 0.224 | C | C | . | . | trans | -84.1 | 105.6 | 173.2 | -164.4 | 0 | 0 | 0 | 0 | 109.6 | P54 T58 P199 M200 | P54-S197 WeakPolarHBondContact CB-OG 3.26Å; P54-S197 PolarHBondContact O-OG 2.93Å; T58-S197 PolarHBondContact OG1-OG 3.35Å; S197-P199 VanDerWaalsContact C-CD 3.44Å; S197-P199 VanDerWaalsContact C-N 3.34Å; S197-M200 VanDerWaalsContact O-CB 3.23Å; S197-M200 WeakPolarHBondContact O-CB 3.24Å; S197-M200 PolarHBondContact O-N 3.26Å; S197-M200 VanDerWaalsContact O-N 3.08Å | ||
| 198 | M | 96.8 | Very high | 96.4 | Very high | 14 Ų | 14 | 46.3 Ų | 46.3 | 7% | 0.069 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59 | -35.3 | 177.6 | -67.6 | -59.2 | 141.1 | 0 | 0 | 114.7 | T193 I196 M200 F201 Y202 H249 | T193-M198 HydrophobicContact CG2-CE 3.84Å; I196-M198 HydrophobicContact CB-CE 4Å; I196-M198 HydrophobicContact CG2-CE 3.89Å; I196-M198 PolarHBondContact O-N 2.8Å; M198-M200 PolarHBondContact O-N 3.42Å; M198-M200 VanDerWaalsContact O-N 3.14Å; M198-F201 PolarHBondContact O-N 3.5Å; M198-Y202 HydrophobicContact CB-CE2 3.88Å; M198-Y202 WeakPolarHBondContact O-CD2 3.37Å; M198-Y202 PolarHBondContact O-N 2.73Å; M198-H249 HydrophobicContact CE-CB 3.6Å; M198-H249 HydrophobicContact CG-CB 4.2Å; M198-H249 HydrophobicContact SD-CB 3.49Å; M198-H249 WeakPolarHBondContact SD-CB 3.42Å; M198-H249 VanDerWaalsContact SD-CG 3.55Å |
| 199 | P | 97.7 | Very high | 96.5 | Very high | 64 Ų | 64 | 44.9 Ų | 44.9 | 42% | 0.416 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -54 | -31.1 | 171.9 | -28.9 | 36.5 | 0 | 0 | 0 | 114.3 | P54 S197 Y202 L203 | P54-P199 HydrophobicContact CB-CB 3.97Å; P54-P199 HydrophobicContact CG-CB 3.98Å; S197-P199 VanDerWaalsContact C-CD 3.44Å; S197-P199 VanDerWaalsContact C-N 3.34Å; P199-Y202 PolarHBondContact O-N 3.31Å; P199-L203 WeakPolarHBondContact O-CB 3.43Å; P199-L203 WeakPolarHBondContact O-CD1 3.42Å; P199-L203 VanDerWaalsContact O-CG 3.28Å; P199-L203 WeakPolarHBondContact O-CG 3.47Å; P199-L203 PolarHBondContact O-N 3.21Å |
| 200 | M | 96.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.9 | -49.4 | 172.9 | 177.6 | 178.6 | 87.7 | 0 | 0 | 110.7 | P51 Q55 I68 F72 W76 S197 M198 L203 M204 | P51-M200 HydrophobicContact CB-CG 4.27Å; P51-M200 WeakPolarHBondContact O-CA 2.94Å; P51-M200 WeakPolarHBondContact O-CB 3.42Å; P51-M200 WeakPolarHBondContact O-CG 3.29Å; Q55-M200 HydrophobicContact CB-SD 3.62Å; Q55-M200 HydrophobicContact CG-SD 4.07Å; I68-M200 HydrophobicContact CD1-CE 3.94Å; I68-M200 HydrophobicContact CD1-SD 4.38Å; F72-M200 HydrophobicContact CE1-CE 3.85Å; F72-M200 HydrophobicContact CZ-CE 4.27Å; W76-M200 HydrophobicContact CZ3-SD 4.31Å; S197-M200 VanDerWaalsContact O-CB 3.23Å; S197-M200 WeakPolarHBondContact O-CB 3.24Å; S197-M200 PolarHBondContact O-N 3.26Å; S197-M200 VanDerWaalsContact O-N 3.08Å; M198-M200 PolarHBondContact O-N 3.42Å; M198-M200 VanDerWaalsContact O-N 3.14Å; M200-L203 PolarHBondContact O-N 3.17Å; M200-M204 HydrophobicContact CE-CE 3.87Å; M200-M204 HydrophobicContact CG-CE 3.87Å; M200-M204 HydrophobicContact CG-SD 4.32Å; M200-M204 VanDerWaalsContact O-CG 3.31Å; M200-M204 WeakPolarHBondContact O-CG 3.37Å; M200-M204 PolarHBondContact O-N 3.15Å |
| 201 | F | 97.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -69.9 | -34.4 | -179 | -78.1 | -81.9 | 0 | 0 | 0 | 113.2 | F72 Q183 I196 M198 M204 F205 D242 I245 I246 | F72-F201 HydrophobicContact CZ-CE1 4.49Å; F72-F201 HydrophobicContact CZ-CZ 4.28Å; Q183-F201 HydrophobicContact CG-CZ 4.18Å; I196-F201 HydrophobicContact CG2-CD2 3.79Å; I196-F201 HydrophobicContact CG2-CE2 3.46Å; I196-F201 VanDerWaalsContact CG2-CE2 3.46Å; M198-F201 PolarHBondContact O-N 3.5Å; F201-M204 HydrophobicContact CB-CE 4.25Å; F201-M204 HydrophobicContact CD1-CE 3.19Å; F201-M204 HydrophobicContact CD2-CE 4.11Å; F201-M204 HydrophobicContact CE1-CE 3.27Å; F201-M204 HydrophobicContact CE2-CE 4.19Å; F201-M204 HydrophobicContact CG-CE 3.62Å; F201-M204 HydrophobicContact CZ-CE 3.8Å; F201-F205 VanDerWaalsContact O-CB 3.32Å; F201-F205 WeakPolarHBondContact O-CB 3.42Å; F201-F205 PolarHBondContact O-N 3.14Å; F201-D242 HydrophobicContact CD1-CB 4.3Å; F201-I245 HydrophobicContact CD1-CB 4.16Å; F201-I245 HydrophobicContact CD1-CD1 3.96Å; F201-I245 HydrophobicContact CD1-CG2 3.85Å; F201-I245 HydrophobicContact CD2-CG2 4Å; F201-I245 HydrophobicContact CE1-CB 4.22Å; F201-I245 HydrophobicContact CE1-CD1 3.24Å; F201-I245 HydrophobicContact CE1-CG1 4.29Å; F201-I245 HydrophobicContact CE1-CG2 3.88Å; F201-I245 HydrophobicContact CE2-CG2 3.99Å; F201-I245 HydrophobicContact CG-CG2 3.94Å; F201-I245 HydrophobicContact CZ-CD1 3.74Å; F201-I245 HydrophobicContact CZ-CG2 3.95Å; F201-I246 HydrophobicContact CB-CG1 4.2Å |
| 202 | Y | 98.2 | Very high | 96.9 | Very high | 94 Ų | 94 | 32.6 Ų | 32.6 | 37% | 0.369 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -64 | -43.2 | 172.8 | -58.8 | -36.3 | 0 | 0 | 0 | 112.1 | M198 P199 F205 A206 I246 F250 | M198-Y202 HydrophobicContact CB-CE2 3.88Å; M198-Y202 WeakPolarHBondContact O-CD2 3.37Å; M198-Y202 PolarHBondContact O-N 2.73Å; P199-Y202 PolarHBondContact O-N 3.31Å; Y202-F205 PolarHBondContact O-N 3.18Å; Y202-A206 WeakPolarHBondContact O-CB 3.4Å; Y202-A206 PolarHBondContact O-N 2.89Å; Y202-I246 HydrophobicContact CD1-CD1 3.63Å; Y202-I246 HydrophobicContact CD1-CG1 3.98Å; Y202-I246 HydrophobicContact CE1-CB 4.39Å; Y202-I246 HydrophobicContact CE1-CD1 3.83Å; Y202-I246 HydrophobicContact CE1-CG1 3.74Å; Y202-I246 HydrophobicContact CE1-CG2 3.77Å; Y202-F250 WeakPolarHBondContact OH-CZ 3.29Å |
| 203 | L | 98.2 | Very high | 97 | Very high | 44 Ų | 44 | 35.2 Ų | 35.2 | 23% | 0.23 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -68.3 | -42.3 | 177.6 | -71 | 167.2 | 0 | 0 | 0 | 111.8 | L47 F50 P51 P54 P199 M200 F205 A206 A207 | L47-L203 HydrophobicContact CD2-CD2 4.05Å; F50-L203 HydrophobicContact CB-CD1 3.88Å; P51-L203 HydrophobicContact CB-CB 4.2Å; P51-L203 HydrophobicContact CG-CB 3.97Å; P54-L203 HydrophobicContact CG-CD1 4.25Å; P199-L203 WeakPolarHBondContact O-CB 3.43Å; P199-L203 WeakPolarHBondContact O-CD1 3.42Å; P199-L203 VanDerWaalsContact O-CG 3.28Å; P199-L203 WeakPolarHBondContact O-CG 3.47Å; P199-L203 PolarHBondContact O-N 3.21Å; M200-L203 PolarHBondContact O-N 3.17Å; L203-F205 PolarHBondContact O-N 3.12Å; L203-A206 PolarHBondContact O-N 3.18Å; L203-A207 VanDerWaalsContact O-CB 3.27Å; L203-A207 WeakPolarHBondContact O-CB 3.38Å; L203-A207 PolarHBondContact O-N 2.95Å |
| 204 | M | 97.6 | Very high | 97 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.6 | -44.2 | 174.4 | -72.8 | -171.4 | -61.4 | 0 | 0 | 111.8 | W48 P51 F72 W76 M200 F201 A207 N208 | W48-M204 HydrophobicContact CZ3-CG 4.22Å; P51-M204 HydrophobicContact CB-CG 3.66Å; P51-M204 HydrophobicContact CG-CG 4.13Å; F72-M204 HydrophobicContact CZ-CE 4.07Å; F72-M204 HydrophobicContact CZ-SD 4.06Å; W76-M204 HydrophobicContact CH2-CG 3.96Å; W76-M204 HydrophobicContact CH2-SD 3.21Å; W76-M204 WeakPolarHBondContact CH2-SD 3.44Å; W76-M204 HydrophobicContact CZ2-CG 4.49Å; W76-M204 HydrophobicContact CZ2-SD 3.95Å; W76-M204 HydrophobicContact CZ3-SD 3.6Å; W76-M204 VanDerWaalsContact CZ3-SD 3.6Å; M200-M204 HydrophobicContact CE-CE 3.87Å; M200-M204 HydrophobicContact CG-CE 3.87Å; M200-M204 HydrophobicContact CG-SD 4.32Å; M200-M204 VanDerWaalsContact O-CG 3.31Å; M200-M204 WeakPolarHBondContact O-CG 3.37Å; M200-M204 PolarHBondContact O-N 3.15Å; F201-M204 HydrophobicContact CB-CE 4.25Å; F201-M204 HydrophobicContact CD1-CE 3.19Å; F201-M204 HydrophobicContact CD2-CE 4.11Å; F201-M204 HydrophobicContact CE1-CE 3.27Å; F201-M204 HydrophobicContact CE2-CE 4.19Å; F201-M204 HydrophobicContact CG-CE 3.62Å; F201-M204 HydrophobicContact CZ-CE 3.8Å; M204-A207 PolarHBondContact O-N 3.5Å; M204-N208 WeakPolarHBondContact O-CB 3.4Å; M204-N208 PolarHBondContact O-N 3.03Å; M204-N208 PolarHBondContact O-ND2 2.99Å |
| 205 | F | 98.4 | Very high | 97 | Very high | 64 Ų | 64 | 30.8 Ų | 30.8 | 28% | 0.281 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -59.7 | -50.8 | 176.1 | 177.8 | -84.6 | 0 | 0 | 0 | 110.7 | F201 Y202 L203 A207 N208 F209 C239 D242 S243 | F201-F205 VanDerWaalsContact O-CB 3.32Å; F201-F205 WeakPolarHBondContact O-CB 3.42Å; F201-F205 PolarHBondContact O-N 3.14Å; Y202-F205 PolarHBondContact O-N 3.18Å; L203-F205 PolarHBondContact O-N 3.12Å; F205-A207 PolarHBondContact O-N 3.26Å; F205-N208 PolarHBondContact O-N 3.36Å; F205-F209 HydrophobicContact CD1-CB 4.49Å; F205-F209 HydrophobicContact CE1-CB 4.21Å; F205-F209 HydrophobicContact CE1-CG 4.44Å; F205-F209 HydrophobicContact CZ-CD2 4.43Å; F205-F209 WeakPolarHBondContact O-CB 3.47Å; F205-F209 PolarHBondContact O-N 3.4Å; F205-C239 HydrophobicContact CD2-CB 3.9Å; F205-C239 WeakPolarHBondContact CD2-O 3.43Å; F205-C239 HydrophobicContact CE2-CB 3.72Å; F205-D242 HydrophobicContact CB-CB 4.38Å; F205-S243 VanDerWaalsContact CE2-OG 3.3Å; F205-S243 WeakPolarHBondContact CE2-OG 3.36Å |
| 206 | A | 98.5 | Very high | 97.1 | Very high | 32 Ų | 32 | 33.9 Ų | 33.9 | 26% | 0.264 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -61.4 | -43.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L47 Y202 L203 F209 C210 | L47-A206 HydrophobicContact CD1-CB 3.89Å; Y202-A206 WeakPolarHBondContact O-CB 3.4Å; Y202-A206 PolarHBondContact O-N 2.89Å; L203-A206 PolarHBondContact O-N 3.18Å; A206-F209 PolarHBondContact O-N 3.37Å; A206-C210 WeakPolarHBondContact O-CB 3.45Å; A206-C210 PolarHBondContact O-N 2.92Å; A206-C210 PolarHBondContact O-SG 2.89Å; A206-C210 VanDerWaalsContact O-SG 3.33Å |
| 207 | A | 98 | Very high | 97 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.2 | -47.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | S44 L47 W48 L203 M204 F205 Y211 | S44-A207 WeakPolarHBondContact CB-O 3.5Å; S44-A207 PolarHBondContact OG-O 2.94Å; L47-A207 HydrophobicContact CB-CB 3.8Å; W48-A207 HydrophobicContact CD2-CB 3.77Å; W48-A207 HydrophobicContact CE3-CB 4.44Å; W48-A207 HydrophobicContact CG-CB 3.83Å; W48-A207 HydrophobicContact CZ2-CB 4.31Å; L203-A207 VanDerWaalsContact O-CB 3.27Å; L203-A207 WeakPolarHBondContact O-CB 3.38Å; L203-A207 PolarHBondContact O-N 2.95Å; M204-A207 PolarHBondContact O-N 3.5Å; F205-A207 PolarHBondContact O-N 3.26Å; A207-Y211 WeakPolarHBondContact O-CB 3.45Å; A207-Y211 PolarHBondContact O-N 3.09Å |
| 208 | N | 98 | Very high | 96.6 | Very high | 12 Ų | 12 | 35.8 Ų | 35.8 | 6% | 0.064 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.6 | -38.1 | 176.5 | -78.2 | -66.1 | 0 | 0 | 0 | 112.4 | W48 M204 F205 Y211 G212 S235 C239 | W48-N208 WeakPolarHBondContact CH2-ND2 3.3Å; W48-N208 WeakPolarHBondContact CZ2-ND2 3.41Å; W48-N208 WeakPolarHBondContact CZ2-OD1 3.44Å; M204-N208 WeakPolarHBondContact O-CB 3.4Å; M204-N208 PolarHBondContact O-N 3.03Å; M204-N208 PolarHBondContact O-ND2 2.99Å; F205-N208 PolarHBondContact O-N 3.36Å; N208-Y211 PolarHBondContact O-N 3.36Å; N208-G212 PolarHBondContact O-N 2.83Å; N208-S235 VanDerWaalsContact C-OG 3.28Å; N208-S235 VanDerWaalsContact CA-OG 3.23Å; N208-S235 WeakPolarHBondContact CA-OG 3.28Å; N208-S235 WeakPolarHBondContact CB-OG 3.49Å; N208-S235 PolarHBondContact O-OG 3.12Å; N208-S235 PolarHBondContact OD1-OG 3.34Å; N208-C239 WeakPolarHBondContact CB-SG 3.46Å |
| 209 | F | 98.4 | Very high | 96 | Very high | 100 Ų | 100 | 35.6 Ų | 35.6 | 44% | 0.439 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -65.8 | -48.8 | 178.5 | -177.1 | -94.3 | 0 | 0 | 0 | 110.5 | F205 A206 Y211 G212 F213 C239 | F205-F209 HydrophobicContact CD1-CB 4.49Å; F205-F209 HydrophobicContact CE1-CB 4.21Å; F205-F209 HydrophobicContact CE1-CG 4.44Å; F205-F209 HydrophobicContact CZ-CD2 4.43Å; F205-F209 WeakPolarHBondContact O-CB 3.47Å; F205-F209 PolarHBondContact O-N 3.4Å; A206-F209 PolarHBondContact O-N 3.37Å; F209-Y211 VanDerWaalsContact C-N 3.33Å; F209-Y211 PolarHBondContact O-N 3.11Å; F209-G212 PolarHBondContact O-N 2.99Å; F209-F213 VanDerWaalsContact O-CB 3.22Å; F209-F213 WeakPolarHBondContact O-CB 3.45Å; F209-F213 PolarHBondContact O-N 3.49Å; F209-C239 PolarHBondContact N-SG 2.87Å; F209-C239 VanDerWaalsContact N-SG 3.36Å |
| 210 | C | 98.3 | Very high | 95.1 | Very high | 26 Ų | 26 | 40.4 Ų | 40.4 | 18% | 0.176 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.8 | -43.3 | 174.3 | -71.7 | 0 | 0 | 0 | 0 | 111.6 | I40 A206 F213 S214 | I40-C210 HydrophobicContact CG2-CB 3.89Å; I40-C210 WeakPolarHBondContact CG2-O 3.41Å; A206-C210 WeakPolarHBondContact O-CB 3.45Å; A206-C210 PolarHBondContact O-N 2.92Å; A206-C210 PolarHBondContact O-SG 2.89Å; A206-C210 VanDerWaalsContact O-SG 3.33Å; C210-F213 PolarHBondContact O-N 3.33Å; C210-S214 WeakPolarHBondContact O-CB 3.44Å; C210-S214 PolarHBondContact O-N 2.95Å; C210-S214 PolarHBondContact O-OG 3.47Å |
| 211 | Y | 96.6 | Very high | 94.4 | Very high | 59 Ų | 59 | 42 Ų | 42 | 23% | 0.231 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.1 | -55.5 | 176.7 | 176.8 | -97.5 | 0 | 0 | 0 | 111.5 | S44 A207 N208 F209 F213 S214 V215 W231 S235 | S44-Y211 WeakPolarHBondContact OG-CB 3.5Å; S44-Y211 PolarHBondContact OG-N 3.22Å; A207-Y211 WeakPolarHBondContact O-CB 3.45Å; A207-Y211 PolarHBondContact O-N 3.09Å; N208-Y211 PolarHBondContact O-N 3.36Å; F209-Y211 VanDerWaalsContact C-N 3.33Å; F209-Y211 PolarHBondContact O-N 3.11Å; Y211-F213 VanDerWaalsContact C-N 3.27Å; Y211-F213 PolarHBondContact O-N 2.93Å; Y211-S214 PolarHBondContact O-N 3.5Å; Y211-S214 VanDerWaalsContact O-N 3.11Å; Y211-S214 PolarHBondContact O-OG 2.92Å; Y211-V215 HydrophobicContact CD1-CG2 4.34Å; Y211-V215 HydrophobicContact CE1-CG2 3.84Å; Y211-V215 HydrophobicContact CE2-CG2 4.05Å; Y211-V215 WeakPolarHBondContact O-CG2 3.37Å; Y211-V215 PolarHBondContact O-N 2.96Å; Y211-W231 HydrophobicContact CE1-CB 3.77Å; Y211-W231 WeakPolarHBondContact OH-CB 3.19Å; Y211-S235 WeakPolarHBondContact CD1-OG 3.35Å |
| 212 | G | 96.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.6 | -39.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112 | N208 F209 V215 L216 L232 | N208-G212 PolarHBondContact O-N 2.83Å; F209-G212 PolarHBondContact O-N 2.99Å; G212-V215 PolarHBondContact O-N 3.25Å; G212-L216 WeakPolarHBondContact O-CG 3.48Å; G212-L216 PolarHBondContact O-N 3.34Å; G212-L232 WeakPolarHBondContact O-CD1 3.35Å |
| 213 | F | 97.2 | Very high | 93 | Very high | 86 Ų | 86 | 51.7 Ų | 51.7 | 38% | 0.377 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -68.3 | -39.2 | 176.5 | -166 | -124.3 | 0 | 0 | 0 | 112.6 | I40 F209 C210 Y211 V215 L216 L217 | I40-F213 HydrophobicContact CD1-CD1 3.9Å; I40-F213 HydrophobicContact CD1-CE1 4.01Å; I40-F213 HydrophobicContact CG2-CD1 4.47Å; F209-F213 VanDerWaalsContact O-CB 3.22Å; F209-F213 WeakPolarHBondContact O-CB 3.45Å; F209-F213 PolarHBondContact O-N 3.49Å; C210-F213 PolarHBondContact O-N 3.33Å; Y211-F213 VanDerWaalsContact C-N 3.27Å; Y211-F213 PolarHBondContact O-N 2.93Å; F213-V215 VanDerWaalsContact C-N 3.32Å; F213-V215 PolarHBondContact O-N 2.92Å; F213-L216 PolarHBondContact O-N 3.3Å; F213-L217 HydrophobicContact CD1-CD1 3.97Å; F213-L217 HydrophobicContact CE1-CD1 3.6Å; F213-L217 HydrophobicContact CE1-CG 4.38Å; F213-L217 HydrophobicContact CE2-CD1 4.44Å; F213-L217 HydrophobicContact CE2-CD2 4.42Å; F213-L217 HydrophobicContact CE2-CG 4.37Å; F213-L217 HydrophobicContact CZ-CD1 3.86Å; F213-L217 HydrophobicContact CZ-CD2 4.28Å; F213-L217 HydrophobicContact CZ-CG 4.24Å; F213-L217 WeakPolarHBondContact O-CG 3.19Å; F213-L217 PolarHBondContact O-N 2.97Å; F213-L217 VanDerWaalsContact O-N 3.08Å |
| 214 | S | 96.2 | Very high | 92.3 | Very high | 13 Ų | 13 | 52.2 Ų | 52.2 | 9% | 0.091 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61 | -41.4 | 173.8 | 71.7 | 0 | 0 | 0 | 0 | 112 | A37 C210 Y211 L217 G218 | A37-S214 WeakPolarHBondContact CB-O 3.39Å; A37-S214 VanDerWaalsContact O-CB 3.28Å; A37-S214 WeakPolarHBondContact O-CB 3.34Å; C210-S214 WeakPolarHBondContact O-CB 3.44Å; C210-S214 PolarHBondContact O-N 2.95Å; C210-S214 PolarHBondContact O-OG 3.47Å; Y211-S214 PolarHBondContact O-N 3.5Å; Y211-S214 VanDerWaalsContact O-N 3.11Å; Y211-S214 PolarHBondContact O-OG 2.92Å; S214-L217 PolarHBondContact O-N 3.33Å; S214-G218 PolarHBondContact O-N 3.42Å |
| 215 | V | 93.9 | Very high | 91.8 | Very high | 8 Ų | 8 | 55.4 Ų | 55.4 | 5% | 0.048 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.1 | -41.9 | 177.1 | 171.6 | 0 | 0 | 0 | 0 | 110.8 | Y211 G212 F213 L217 G218 Y224 H228 L232 | Y211-V215 HydrophobicContact CD1-CG2 4.34Å; Y211-V215 HydrophobicContact CE1-CG2 3.84Å; Y211-V215 HydrophobicContact CE2-CG2 4.05Å; Y211-V215 WeakPolarHBondContact O-CG2 3.37Å; Y211-V215 PolarHBondContact O-N 2.96Å; G212-V215 PolarHBondContact O-N 3.25Å; F213-V215 VanDerWaalsContact C-N 3.32Å; F213-V215 PolarHBondContact O-N 2.92Å; V215-L217 VanDerWaalsContact C-N 3.29Å; V215-L217 PolarHBondContact O-N 3.33Å; V215-G218 PolarHBondContact O-N 2.67Å; V215-Y224 VanDerWaalsContact O-CE1 3.27Å; V215-Y224 WeakPolarHBondContact O-CE1 3.44Å; V215-Y224 PolarHBondContact O-OH 3.02Å; V215-H228 HydrophobicContact CG1-CB 3.64Å; V215-L232 HydrophobicContact CB-CD1 4.3Å; V215-L232 HydrophobicContact CG1-CB 4.43Å; V215-L232 HydrophobicContact CG1-CD1 4.22Å |
| 216 | L | 95 | Very high | 91.1 | Very high | 70 Ų | 70 | 55.5 Ų | 55.5 | 37% | 0.366 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.8 | -34 | 177.5 | -73.8 | 166 | 0 | 0 | 0 | 113 | G212 F213 F225 L232 L236 | G212-L216 WeakPolarHBondContact O-CG 3.48Å; G212-L216 PolarHBondContact O-N 3.34Å; F213-L216 PolarHBondContact O-N 3.3Å; L216-F225 HydrophobicContact CD2-CE1 3.99Å; L216-F225 HydrophobicContact CD2-CZ 4.5Å; L216-L232 HydrophobicContact CD2-CD1 4.45Å; L216-L232 HydrophobicContact CD2-CD2 4.07Å; L216-L232 HydrophobicContact CG-CD1 4.06Å; L216-L236 HydrophobicContact CD1-CD1 4.37Å |
| 217 | L | 93.7 | Very high | 90.3 | Very high | 38 Ų | 38 | 57.1 Ų | 57.1 | 20% | 0.199 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -85.3 | -23.8 | 179.1 | -65.7 | 178.8 | 0 | 0 | 0 | 113.3 | V33 A37 I40 F213 S214 V215 G219 | V33-L217 HydrophobicContact CG1-CB 4.06Å; V33-L217 HydrophobicContact CG1-CD2 3.97Å; A37-L217 HydrophobicContact CB-CB 3.66Å; I40-L217 HydrophobicContact CD1-CD1 3.82Å; F213-L217 HydrophobicContact CD1-CD1 3.97Å; F213-L217 HydrophobicContact CE1-CD1 3.6Å; F213-L217 HydrophobicContact CE1-CG 4.38Å; F213-L217 HydrophobicContact CE2-CD1 4.44Å; F213-L217 HydrophobicContact CE2-CD2 4.42Å; F213-L217 HydrophobicContact CE2-CG 4.37Å; F213-L217 HydrophobicContact CZ-CD1 3.86Å; F213-L217 HydrophobicContact CZ-CD2 4.28Å; F213-L217 HydrophobicContact CZ-CG 4.24Å; F213-L217 WeakPolarHBondContact O-CG 3.19Å; F213-L217 PolarHBondContact O-N 2.97Å; F213-L217 VanDerWaalsContact O-N 3.08Å; S214-L217 PolarHBondContact O-N 3.33Å; V215-L217 VanDerWaalsContact C-N 3.29Å; V215-L217 PolarHBondContact O-N 3.33Å; L217-G219 VanDerWaalsContact C-N 3.31Å; L217-G219 PolarHBondContact O-N 2.9Å |
| 218 | G | 87.3 | Confident | 89.8 | Confident | 28 Ų | 28 | 59.9 Ų | 59.9 | 29% | 0.289 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -73.8 | -13.5 | -169.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | S214 V215 | S214-G218 PolarHBondContact O-N 3.42Å; V215-G218 PolarHBondContact O-N 2.67Å |
| 219 | G | 83.6 | Confident | 89.2 | Confident | 9 Ų | 9 | 62.5 Ų | 62.5 | 9% | 0.093 | 31% | 0.308 | C | S | . | . | trans | -168.5 | 152.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | L217 | L217-G219 VanDerWaalsContact C-N 3.31Å; L217-G219 PolarHBondContact O-N 2.9Å | ||
| 220 | F | 79.9 | Confident | 88.6 | Confident | 165 Ų | 165 | 58.2 Ų | 58.2 | 72% | 0.724 | 29% | 0.291 | S | S | * | . | trans | -121.6 | 109.7 | 175.9 | -60.9 | -84 | 0 | 0 | 0 | 108.7 | ||||
| 221 | G | 82.5 | Confident | 88.1 | Confident | 34 Ų | 34 | 59.3 Ų | 59.3 | 35% | 0.351 | 29% | 0.291 | S | S | . | . | S | Bend | trans | 164.1 | 146.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113 | D223 Y224 F225 | G221-D223 VanDerWaalsContact C-N 3.3Å; G221-D223 PolarHBondContact O-N 2.94Å; G221-Y224 PolarHBondContact O-N 3.48Å; G221-F225 VanDerWaalsContact O-CD2 3.22Å; G221-F225 WeakPolarHBondContact O-CD2 3.3Å; G221-F225 PolarHBondContact O-N 2.81Å |
| 222 | R | 83.4 | Confident | 87.8 | Confident | 203 Ų | 203 | 57.2 Ų | 57.2 | 77% | 0.766 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -57.8 | -44.7 | 179.7 | -174.5 | -175.2 | 178.1 | -161.6 | -1.2 | 111.4 | F225 L226 | R222-F225 PolarHBondContact O-N 2.65Å; R222-L226 HydrophobicContact CG-CD1 3.95Å; R222-L226 HydrophobicContact CG-CG 4.36Å; R222-L226 WeakPolarHBondContact O-CB 3.23Å; R222-L226 VanDerWaalsContact O-CG 3.28Å; R222-L226 WeakPolarHBondContact O-CG 3.37Å; R222-L226 PolarHBondContact O-N 3.39Å |
| 223 | D | 81.9 | Confident | 87.4 | Confident | 94 Ų | 94 | 62.3 Ų | 62.3 | 50% | 0.503 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -68.7 | -42.4 | -176.5 | -60.2 | -21 | 0 | 0 | 0 | 111.3 | G221 F225 L226 L227 | G221-D223 VanDerWaalsContact C-N 3.3Å; G221-D223 PolarHBondContact O-N 2.94Å; D223-F225 PolarHBondContact O-N 2.89Å; D223-L226 PolarHBondContact O-N 3.4Å; D223-L227 WeakPolarHBondContact O-CB 3.09Å; D223-L227 WeakPolarHBondContact O-CG 3.22Å; D223-L227 PolarHBondContact O-N 3.42Å |
| 224 | Y | 84.8 | Confident | 87.2 | Confident | 55 Ų | 55 | 58.4 Ų | 58.4 | 22% | 0.216 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -55.1 | -50.9 | 171.6 | 174.2 | -93 | 0 | 0 | 0 | 111.2 | V215 G221 L226 L227 H228 | V215-Y224 VanDerWaalsContact O-CE1 3.27Å; V215-Y224 WeakPolarHBondContact O-CE1 3.44Å; V215-Y224 PolarHBondContact O-OH 3.02Å; G221-Y224 PolarHBondContact O-N 3.48Å; Y224-L226 PolarHBondContact O-N 3.4Å; Y224-L227 PolarHBondContact O-N 2.8Å; Y224-H228 AromaticContact CD2-CD2 3.42Å; Y224-H228 VanDerWaalsContact CD2-CD2 3.42Å; Y224-H228 WeakPolarHBondContact CD2-CD2 3.5Å; Y224-H228 AromaticContact CD2-NE2 3.56Å; Y224-H228 AromaticContact CE1-CD2 3.86Å; Y224-H228 AromaticContact CE2-CD2 3.21Å; Y224-H228 WeakPolarHBondContact CE2-CD2 3.39Å; Y224-H228 AromaticContact CE2-NE2 3.2Å; Y224-H228 WeakPolarHBondContact CE2-NE2 3.06Å; Y224-H228 AromaticContact CG-CD2 3.84Å; Y224-H228 AromaticContact CZ-CD2 3.44Å; Y224-H228 VanDerWaalsContact CZ-CD2 3.44Å; Y224-H228 AromaticContact CZ-NE2 3.8Å; Y224-H228 PolarHBondContact O-CD2 3.42Å; Y224-H228 PolarHBondContact O-N 3.36Å |
| 225 | F | 86.6 | Confident | 87.1 | Confident | 68 Ų | 68 | 58 Ų | 58 | 30% | 0.298 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65 | -39.2 | 179.8 | -82.2 | -65.9 | 0 | 0 | 0 | 113 | L216 G221 R222 D223 L227 H228 L229 L232 | L216-F225 HydrophobicContact CD2-CE1 3.99Å; L216-F225 HydrophobicContact CD2-CZ 4.5Å; G221-F225 VanDerWaalsContact O-CD2 3.22Å; G221-F225 WeakPolarHBondContact O-CD2 3.3Å; G221-F225 PolarHBondContact O-N 2.81Å; R222-F225 PolarHBondContact O-N 2.65Å; D223-F225 PolarHBondContact O-N 2.89Å; F225-L227 VanDerWaalsContact C-N 3.34Å; F225-H228 PolarHBondContact O-N 3.46Å; F225-L229 WeakPolarHBondContact O-CA 3.13Å; F225-L229 VanDerWaalsContact O-CB 3.28Å; F225-L229 WeakPolarHBondContact O-CB 3.38Å; F225-L229 PolarHBondContact O-N 2.89Å; F225-L232 HydrophobicContact CD1-CD2 4.33Å; F225-L232 HydrophobicContact CE1-CD2 4.43Å |
| 226 | L | 83.5 | Confident | 87.2 | Confident | 65 Ų | 65 | 60.4 Ų | 60.4 | 34% | 0.34 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63 | -41.6 | 175.3 | -74 | 173.1 | 0 | 0 | 0 | 111.4 | Y166 R222 D223 Y224 H228 L229 | Y166-L226 PolarHBondContact OH-O 3.46Å; Y166-L226 VanDerWaalsContact OH-O 3.12Å; R222-L226 HydrophobicContact CG-CD1 3.95Å; R222-L226 HydrophobicContact CG-CG 4.36Å; R222-L226 WeakPolarHBondContact O-CB 3.23Å; R222-L226 VanDerWaalsContact O-CG 3.28Å; R222-L226 WeakPolarHBondContact O-CG 3.37Å; R222-L226 PolarHBondContact O-N 3.39Å; D223-L226 PolarHBondContact O-N 3.4Å; Y224-L226 PolarHBondContact O-N 3.4Å; L226-H228 VanDerWaalsContact C-N 3.33Å; L226-H228 PolarHBondContact O-N 3.16Å; L226-L229 PolarHBondContact O-N 3.47Å |
| 227 | L | 81.9 | Confident | 87.3 | Confident | 66 Ų | 66 | 58.1 Ų | 58.1 | 35% | 0.346 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.6 | -34.8 | 176.5 | -70.8 | 170.5 | 0 | 0 | 0 | 112.1 | F157 D223 Y224 F225 W231 | F157-L227 HydrophobicContact CD1-CD2 4.03Å; F157-L227 HydrophobicContact CE1-CD2 3.24Å; F157-L227 HydrophobicContact CZ-CD2 3.6Å; D223-L227 WeakPolarHBondContact O-CB 3.09Å; D223-L227 WeakPolarHBondContact O-CG 3.22Å; D223-L227 PolarHBondContact O-N 3.42Å; Y224-L227 PolarHBondContact O-N 2.8Å; F225-L227 VanDerWaalsContact C-N 3.34Å; L227-W231 WeakPolarHBondContact O-CZ3 3.35Å |
| 228 | H | 87.2 | Confident | 87.5 | Confident | 58 Ų | 58 | 56.3 Ų | 56.3 | 27% | 0.269 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -95 | -4.1 | -179.6 | -68.6 | -67.9 | 0 | 0 | 0 | 114.7 | V215 Y224 F225 L226 W231 L232 | V215-H228 HydrophobicContact CG1-CB 3.64Å; Y224-H228 AromaticContact CD2-CD2 3.42Å; Y224-H228 VanDerWaalsContact CD2-CD2 3.42Å; Y224-H228 WeakPolarHBondContact CD2-CD2 3.5Å; Y224-H228 AromaticContact CD2-NE2 3.56Å; Y224-H228 AromaticContact CE1-CD2 3.86Å; Y224-H228 AromaticContact CE2-CD2 3.21Å; Y224-H228 WeakPolarHBondContact CE2-CD2 3.39Å; Y224-H228 AromaticContact CE2-NE2 3.2Å; Y224-H228 WeakPolarHBondContact CE2-NE2 3.06Å; Y224-H228 AromaticContact CG-CD2 3.84Å; Y224-H228 AromaticContact CZ-CD2 3.44Å; Y224-H228 VanDerWaalsContact CZ-CD2 3.44Å; Y224-H228 AromaticContact CZ-NE2 3.8Å; Y224-H228 PolarHBondContact O-CD2 3.42Å; Y224-H228 PolarHBondContact O-N 3.36Å; F225-H228 PolarHBondContact O-N 3.46Å; L226-H228 VanDerWaalsContact C-N 3.33Å; L226-H228 PolarHBondContact O-N 3.16Å; H228-W231 PolarHBondContact O-N 3.27Å; H228-L232 WeakPolarHBondContact O-CB 3.48Å; H228-L232 PolarHBondContact O-N 2.95Å |
| 229 | L | 85.8 | Confident | 88 | Confident | 68 Ų | 68 | 55.4 Ų | 55.4 | 36% | 0.356 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -55.5 | -46.5 | -170.1 | -171.9 | 66.3 | 0 | 0 | 0 | 114.2 | F225 L226 W231 L232 L233 | F225-L229 WeakPolarHBondContact O-CA 3.13Å; F225-L229 VanDerWaalsContact O-CB 3.28Å; F225-L229 WeakPolarHBondContact O-CB 3.38Å; F225-L229 PolarHBondContact O-N 2.89Å; L226-L229 PolarHBondContact O-N 3.47Å; L229-W231 PolarHBondContact O-N 2.95Å; L229-L232 PolarHBondContact O-N 3.49Å; L229-L233 HydrophobicContact CD1-CD1 3.99Å; L229-L233 HydrophobicContact CD1-CG 4.01Å; L229-L233 HydrophobicContact CD2-CD1 4.49Å; L229-L233 HydrophobicContact CG-CD1 3.89Å; L229-L233 HydrophobicContact CG-CG 4.28Å; L229-L233 WeakPolarHBondContact O-CB 3.4Å; L229-L233 WeakPolarHBondContact O-CG 3.42Å; L229-L233 PolarHBondContact O-N 2.88Å |
| 230 | P | 84.1 | Confident | 88.7 | Confident | 10 Ų | 10 | 59.2 Ų | 59.2 | 7% | 0.065 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.9 | -43.4 | -177.8 | -23.2 | 34.9 | 0 | 0 | 0 | 112.6 | Y166 I170 A173 G234 | Y166-P230 HydrophobicContact CD2-CG 4.21Å; Y166-P230 HydrophobicContact CE1-CG 4.14Å; Y166-P230 HydrophobicContact CE2-CG 3.43Å; Y166-P230 VanDerWaalsContact CE2-CG 3.43Å; Y166-P230 WeakPolarHBondContact OH-CD 3.34Å; Y166-P230 WeakPolarHBondContact OH-CG 3.41Å; I170-P230 HydrophobicContact CD1-CG 4.31Å; I170-P230 HydrophobicContact CG1-CB 3.71Å; I170-P230 HydrophobicContact CG1-CG 3.53Å; A173-P230 WeakPolarHBondContact CB-O 3.4Å; P230-G234 PolarHBondContact O-N 3.27Å |
| 231 | W | 88.1 | Confident | 89.5 | Confident | 49 Ų | 49 | 52.6 Ų | 52.6 | 19% | 0.186 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -70.5 | -39 | 178.9 | -62.6 | -90.9 | 0 | 0 | 0 | 111.8 | Y166 Y211 L227 H228 L229 G234 S235 | Y166-W231 HydrophobicContact CD2-CH2 4.05Å; Y166-W231 AromaticContact CD2-CZ3 3.81Å; Y166-W231 HydrophobicContact CD2-CZ3 3.81Å; Y166-W231 HydrophobicContact CE2-CZ3 4.04Å; Y211-W231 HydrophobicContact CE1-CB 3.77Å; Y211-W231 WeakPolarHBondContact OH-CB 3.19Å; L227-W231 WeakPolarHBondContact O-CZ3 3.35Å; H228-W231 PolarHBondContact O-N 3.27Å; L229-W231 PolarHBondContact O-N 2.95Å; W231-G234 PolarHBondContact O-N 3.33Å; W231-S235 WeakPolarHBondContact O-CB 3.17Å; W231-S235 PolarHBondContact O-N 2.89Å |
| 232 | L | 90 | Very high | 90.3 | Very high | 15 Ų | 15 | 51 Ų | 51 | 8% | 0.079 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.7 | -47.4 | 177.2 | -176.1 | 62.4 | 0 | 0 | 0 | 111.5 | G212 V215 L216 F225 H228 L229 S235 L236 | G212-L232 WeakPolarHBondContact O-CD1 3.35Å; V215-L232 HydrophobicContact CB-CD1 4.3Å; V215-L232 HydrophobicContact CG1-CB 4.43Å; V215-L232 HydrophobicContact CG1-CD1 4.22Å; L216-L232 HydrophobicContact CD2-CD1 4.45Å; L216-L232 HydrophobicContact CD2-CD2 4.07Å; L216-L232 HydrophobicContact CG-CD1 4.06Å; F225-L232 HydrophobicContact CD1-CD2 4.33Å; F225-L232 HydrophobicContact CE1-CD2 4.43Å; H228-L232 WeakPolarHBondContact O-CB 3.48Å; H228-L232 PolarHBondContact O-N 2.95Å; L229-L232 PolarHBondContact O-N 3.49Å; L232-S235 PolarHBondContact O-N 2.91Å; L232-L236 HydrophobicContact CD1-CD1 3.75Å; L232-L236 HydrophobicContact CD1-CG 4.11Å; L232-L236 HydrophobicContact CG-CD1 4.19Å; L232-L236 WeakPolarHBondContact O-CB 3.47Å; L232-L236 PolarHBondContact O-N 3.45Å |
| 233 | L | 89.5 | Confident | 91 | Very high | 106 Ų | 106 | 43.8 Ų | 43.8 | 56% | 0.555 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -65.7 | -42.8 | 176.7 | -73.3 | 178 | 0 | 0 | 0 | 112 | L229 S235 G237 | L229-L233 HydrophobicContact CD1-CD1 3.99Å; L229-L233 HydrophobicContact CD1-CG 4.01Å; L229-L233 HydrophobicContact CD2-CD1 4.49Å; L229-L233 HydrophobicContact CG-CD1 3.89Å; L229-L233 HydrophobicContact CG-CG 4.28Å; L229-L233 WeakPolarHBondContact O-CB 3.4Å; L229-L233 WeakPolarHBondContact O-CG 3.42Å; L229-L233 PolarHBondContact O-N 2.88Å; L233-S235 VanDerWaalsContact C-N 3.33Å; L233-S235 PolarHBondContact O-N 3.42Å; L233-G237 WeakPolarHBondContact O-CA 3.28Å; L233-G237 PolarHBondContact O-N 3.4Å |
| 234 | G | 91.5 | Very high | 91.7 | Very high | 4 Ų | 4 | 42.6 Ų | 42.6 | 4% | 0.041 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -56.8 | -49 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | P230 W231 C238 | P230-G234 PolarHBondContact O-N 3.27Å; W231-G234 PolarHBondContact O-N 3.33Å; G234-C238 WeakPolarHBondContact O-CB 3.2Å; G234-C238 PolarHBondContact O-N 3.23Å; G234-C238 PolarHBondContact O-SG 2.86Å |
| 235 | S | 95.4 | Very high | 92.4 | Very high | 4 Ų | 4 | 40 Ų | 40 | 3% | 0.028 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -67.4 | -55.6 | -177.4 | -163.5 | 0 | 0 | 0 | 0 | 113.1 | N208 Y211 W231 L232 L233 G237 C238 C239 | N208-S235 VanDerWaalsContact C-OG 3.28Å; N208-S235 VanDerWaalsContact CA-OG 3.23Å; N208-S235 WeakPolarHBondContact CA-OG 3.28Å; N208-S235 WeakPolarHBondContact CB-OG 3.49Å; N208-S235 PolarHBondContact O-OG 3.12Å; N208-S235 PolarHBondContact OD1-OG 3.34Å; Y211-S235 WeakPolarHBondContact CD1-OG 3.35Å; W231-S235 WeakPolarHBondContact O-CB 3.17Å; W231-S235 PolarHBondContact O-N 2.89Å; L232-S235 PolarHBondContact O-N 2.91Å; L233-S235 VanDerWaalsContact C-N 3.33Å; L233-S235 PolarHBondContact O-N 3.42Å; S235-G237 VanDerWaalsContact C-N 3.34Å; S235-G237 PolarHBondContact O-N 3.46Å; S235-C238 WeakPolarHBondContact O-CB 3.36Å; S235-C238 PolarHBondContact O-N 2.83Å; S235-C238 VanDerWaalsContact O-N 3.14Å; S235-C239 PolarHBondContact O-N 2.97Å; S235-C239 PolarHBondContact O-SG 3.38Å |
| 236 | L | 96 | Very high | 92.9 | Very high | 59 Ų | 59 | 38.1 Ų | 38.1 | 31% | 0.309 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -69.3 | -33.2 | -177.8 | -64.6 | -178.4 | 0 | 0 | 0 | 112.1 | L216 L232 C238 C239 V240 | L216-L236 HydrophobicContact CD1-CD1 4.37Å; L232-L236 HydrophobicContact CD1-CD1 3.75Å; L232-L236 HydrophobicContact CD1-CG 4.11Å; L232-L236 HydrophobicContact CG-CD1 4.19Å; L232-L236 WeakPolarHBondContact O-CB 3.47Å; L232-L236 PolarHBondContact O-N 3.45Å; L236-C238 VanDerWaalsContact C-N 3.32Å; L236-C239 WeakPolarHBondContact O-CB 3.18Å; L236-C239 PolarHBondContact O-N 3.37Å; L236-V240 PolarHBondContact O-N 2.89Å; L236-V240 VanDerWaalsContact O-N 3.16Å |
| 237 | G | 96.3 | Very high | 93.6 | Very high | 22 Ų | 22 | 42 Ų | 42 | 23% | 0.227 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.7 | -38.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112 | L233 S235 V240 L241 | L233-G237 WeakPolarHBondContact O-CA 3.28Å; L233-G237 PolarHBondContact O-N 3.4Å; S235-G237 VanDerWaalsContact C-N 3.34Å; S235-G237 PolarHBondContact O-N 3.46Å; G237-V240 PolarHBondContact O-N 3.49Å; G237-L241 WeakPolarHBondContact O-CG 3.32Å; G237-L241 PolarHBondContact O-N 3.28Å; G237-L241 VanDerWaalsContact O-N 3.12Å |
| 238 | C | 97.1 | Very high | 94.4 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.007 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.4 | -41.6 | 172.1 | -72.7 | 0 | 0 | 0 | 0 | 111.5 | R180 G234 S235 L236 V240 L241 D242 | R180-C238 PolarHBondContact NE-SG 2.77Å; R180-C238 PolarHBondContact NH1-SG 2.98Å; R180-C238 VanDerWaalsContact NH1-SG 3.37Å; G234-C238 WeakPolarHBondContact O-CB 3.2Å; G234-C238 PolarHBondContact O-N 3.23Å; G234-C238 PolarHBondContact O-SG 2.86Å; S235-C238 WeakPolarHBondContact O-CB 3.36Å; S235-C238 PolarHBondContact O-N 2.83Å; S235-C238 VanDerWaalsContact O-N 3.14Å; L236-C238 VanDerWaalsContact C-N 3.32Å; C238-V240 VanDerWaalsContact C-N 3.28Å; C238-V240 PolarHBondContact O-N 2.97Å; C238-L241 PolarHBondContact O-N 3.35Å; C238-D242 VanDerWaalsContact O-CB 3.29Å; C238-D242 WeakPolarHBondContact O-CB 3.44Å; C238-D242 PolarHBondContact O-N 3.13Å |
| 239 | C | 98.1 | Very high | 94.9 | Very high | 8 Ų | 8 | 38.2 Ų | 38.2 | 5% | 0.054 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -56.4 | -41.6 | 174.8 | -65.7 | 0 | 0 | 0 | 0 | 112.7 | F205 N208 F209 S235 L236 S243 | F205-C239 HydrophobicContact CD2-CB 3.9Å; F205-C239 WeakPolarHBondContact CD2-O 3.43Å; F205-C239 HydrophobicContact CE2-CB 3.72Å; N208-C239 WeakPolarHBondContact CB-SG 3.46Å; F209-C239 PolarHBondContact N-SG 2.87Å; F209-C239 VanDerWaalsContact N-SG 3.36Å; S235-C239 PolarHBondContact O-N 2.97Å; S235-C239 PolarHBondContact O-SG 3.38Å; L236-C239 WeakPolarHBondContact O-CB 3.18Å; L236-C239 PolarHBondContact O-N 3.37Å; C239-S243 WeakPolarHBondContact O-CB 3.41Å; C239-S243 PolarHBondContact O-N 3.47Å; C239-S243 PolarHBondContact O-OG 3.26Å |
| 240 | V | 98.2 | Very high | 95.4 | Very high | 90 Ų | 90 | 39.9 Ų | 39.9 | 55% | 0.545 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -63 | -49.9 | 177.1 | 173.5 | 0 | 0 | 0 | 0 | 110.7 | L236 G237 C238 D242 S243 I244 | L236-V240 PolarHBondContact O-N 2.89Å; L236-V240 VanDerWaalsContact O-N 3.16Å; G237-V240 PolarHBondContact O-N 3.49Å; C238-V240 VanDerWaalsContact C-N 3.28Å; C238-V240 PolarHBondContact O-N 2.97Å; V240-D242 PolarHBondContact O-N 2.85Å; V240-S243 WeakPolarHBondContact O-CB 3.46Å; V240-S243 PolarHBondContact O-N 3.4Å; V240-I244 HydrophobicContact CG1-CD1 4.42Å; V240-I244 WeakPolarHBondContact O-CG1 3.22Å; V240-I244 PolarHBondContact O-N 3.27Å |
| 241 | L | 98.1 | Very high | 96.1 | Very high | 26 Ų | 26 | 42.7 Ų | 42.7 | 14% | 0.136 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.2 | -39.4 | -178.9 | -64.4 | 172.7 | 0 | 0 | 0 | 112.1 | L177 R180 I181 L184 G237 C238 S243 I244 I245 | L177-L241 HydrophobicContact CB-CD1 4.33Å; L177-L241 HydrophobicContact CD2-CD1 3.87Å; R180-L241 HydrophobicContact CB-CB 3.92Å; R180-L241 HydrophobicContact CB-CD1 3.82Å; R180-L241 HydrophobicContact CB-CG 4.42Å; R180-L241 HydrophobicContact CG-CB 4.16Å; R180-L241 HydrophobicContact CG-CD1 4.45Å; I181-L241 HydrophobicContact CD1-CD1 4.42Å; I181-L241 HydrophobicContact CD1-CD2 3.97Å; L184-L241 HydrophobicContact CD1-CD2 3.86Å; G237-L241 WeakPolarHBondContact O-CG 3.32Å; G237-L241 PolarHBondContact O-N 3.28Å; G237-L241 VanDerWaalsContact O-N 3.12Å; C238-L241 PolarHBondContact O-N 3.35Å; L241-S243 VanDerWaalsContact C-N 3.3Å; L241-S243 PolarHBondContact O-N 3.2Å; L241-I244 HydrophobicContact CD2-CD1 4.44Å; L241-I244 PolarHBondContact O-N 3.44Å; L241-I244 VanDerWaalsContact O-N 3.15Å; L241-I245 PolarHBondContact O-N 2.64Å |
| 242 | D | 98 | Very high | 96.5 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.6 | -37.3 | 176.7 | -66 | -12.3 | 0 | 0 | 0 | 110.4 | R180 F201 F205 C238 V240 I244 I245 I246 | R180-D242 IonicContact CZ-OD1 3.2Å; R180-D242 IonicContact NE-OD1 3.74Å; R180-D242 PolarHBondContact NE-OD1 3.25Å; R180-D242 IonicContact NE-OD2 3.59Å; R180-D242 IonicContact NH2-OD1 3.78Å; R180-D242 IonicContact NH2-OD2 3.57Å; F201-D242 HydrophobicContact CD1-CB 4.3Å; F205-D242 HydrophobicContact CB-CB 4.38Å; C238-D242 VanDerWaalsContact O-CB 3.29Å; C238-D242 WeakPolarHBondContact O-CB 3.44Å; C238-D242 PolarHBondContact O-N 3.13Å; V240-D242 PolarHBondContact O-N 2.85Å; D242-I244 VanDerWaalsContact C-N 3.31Å; D242-I244 PolarHBondContact O-N 3.4Å; D242-I245 PolarHBondContact O-N 3.11Å; D242-I246 WeakPolarHBondContact O-CD1 3.45Å; D242-I246 VanDerWaalsContact O-CG1 3.24Å; D242-I246 WeakPolarHBondContact O-CG1 3.42Å; D242-I246 PolarHBondContact O-N 3.03Å |
| 243 | S | 98.3 | Very high | 96.7 | Very high | 52 Ų | 52 | 48.1 Ų | 48.1 | 36% | 0.364 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.2 | -38.3 | 172.8 | -58.3 | 0 | 0 | 0 | 0 | 112.4 | F205 C239 V240 L241 I246 W247 | F205-S243 VanDerWaalsContact CE2-OG 3.3Å; F205-S243 WeakPolarHBondContact CE2-OG 3.36Å; C239-S243 WeakPolarHBondContact O-CB 3.41Å; C239-S243 PolarHBondContact O-N 3.47Å; C239-S243 PolarHBondContact O-OG 3.26Å; V240-S243 WeakPolarHBondContact O-CB 3.46Å; V240-S243 PolarHBondContact O-N 3.4Å; L241-S243 VanDerWaalsContact C-N 3.3Å; L241-S243 PolarHBondContact O-N 3.2Å; S243-I246 PolarHBondContact O-N 3.18Å; S243-W247 WeakPolarHBondContact O-CB 3.48Å; S243-W247 PolarHBondContact O-N 3.13Å |
| 244 | I | 98.3 | Very high | 96.9 | Very high | 69 Ų | 69 | 46.6 Ų | 46.6 | 35% | 0.354 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -68.6 | -39.2 | 176.6 | -59.3 | 167 | 0 | 0 | 0 | 110.7 | L184 V240 L241 D242 W247 Q248 | L184-I244 HydrophobicContact CD2-CB 3.9Å; L184-I244 HydrophobicContact CD2-CG2 3.44Å; L184-I244 VanDerWaalsContact CD2-CG2 3.44Å; V240-I244 HydrophobicContact CG1-CD1 4.42Å; V240-I244 WeakPolarHBondContact O-CG1 3.22Å; V240-I244 PolarHBondContact O-N 3.27Å; L241-I244 HydrophobicContact CD2-CD1 4.44Å; L241-I244 PolarHBondContact O-N 3.44Å; L241-I244 VanDerWaalsContact O-N 3.15Å; D242-I244 VanDerWaalsContact C-N 3.31Å; D242-I244 PolarHBondContact O-N 3.4Å; I244-W247 HydrophobicContact CG2-CE3 4.32Å; I244-W247 PolarHBondContact O-N 2.85Å; I244-Q248 WeakPolarHBondContact O-CG 3.2Å; I244-Q248 PolarHBondContact O-N 3Å |
| 245 | I | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.2 | -42.1 | 175.4 | -67.4 | 170.7 | 0 | 0 | 0 | 110.9 | R180 Q183 L184 F201 L241 D242 W247 Q248 H249 | R180-I245 HydrophobicContact CG-CD1 4.4Å; Q183-I245 HydrophobicContact CB-CD1 4.36Å; Q183-I245 HydrophobicContact CG-CD1 4.12Å; L184-I245 HydrophobicContact CD2-CB 4.48Å; L184-I245 HydrophobicContact CD2-CD1 4.41Å; L184-I245 HydrophobicContact CD2-CG1 3.44Å; L184-I245 VanDerWaalsContact CD2-CG1 3.44Å; L184-I245 HydrophobicContact CG-CD1 4.21Å; L184-I245 HydrophobicContact CG-CG1 3.75Å; F201-I245 HydrophobicContact CD1-CB 4.16Å; F201-I245 HydrophobicContact CD1-CD1 3.96Å; F201-I245 HydrophobicContact CD1-CG2 3.85Å; F201-I245 HydrophobicContact CD2-CG2 4Å; F201-I245 HydrophobicContact CE1-CB 4.22Å; F201-I245 HydrophobicContact CE1-CD1 3.24Å; F201-I245 HydrophobicContact CE1-CG1 4.29Å; F201-I245 HydrophobicContact CE1-CG2 3.88Å; F201-I245 HydrophobicContact CE2-CG2 3.99Å; F201-I245 HydrophobicContact CG-CG2 3.94Å; F201-I245 HydrophobicContact CZ-CD1 3.74Å; F201-I245 HydrophobicContact CZ-CG2 3.95Å; L241-I245 PolarHBondContact O-N 2.64Å; D242-I245 PolarHBondContact O-N 3.11Å; I245-W247 VanDerWaalsContact C-N 3.33Å; I245-Q248 WeakPolarHBondContact O-CB 3.21Å; I245-Q248 PolarHBondContact O-N 3.29Å; I245-H249 PolarHBondContact O-N 2.88Å; I245-H249 VanDerWaalsContact O-N 3.09Å |
| 246 | I | 98.2 | Very high | 96.8 | Very high | 28 Ų | 28 | 55.3 Ų | 55.3 | 14% | 0.144 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63 | -42.1 | 175 | -69.4 | 162.8 | 0 | 0 | 0 | 110.5 | F201 Y202 D242 S243 H249 F250 | F201-I246 HydrophobicContact CB-CG1 4.2Å; Y202-I246 HydrophobicContact CD1-CD1 3.63Å; Y202-I246 HydrophobicContact CD1-CG1 3.98Å; Y202-I246 HydrophobicContact CE1-CB 4.39Å; Y202-I246 HydrophobicContact CE1-CD1 3.83Å; Y202-I246 HydrophobicContact CE1-CG1 3.74Å; Y202-I246 HydrophobicContact CE1-CG2 3.77Å; D242-I246 WeakPolarHBondContact O-CD1 3.45Å; D242-I246 VanDerWaalsContact O-CG1 3.24Å; D242-I246 WeakPolarHBondContact O-CG1 3.42Å; D242-I246 PolarHBondContact O-N 3.03Å; S243-I246 PolarHBondContact O-N 3.18Å; I246-H249 WeakPolarHBondContact O-CB 3.28Å; I246-H249 PolarHBondContact O-N 3.48Å; I246-F250 HydrophobicContact CG2-CD2 4.05Å; I246-F250 HydrophobicContact CG2-CE2 3.71Å; I246-F250 VanDerWaalsContact O-CD2 3.25Å; I246-F250 WeakPolarHBondContact O-CD2 3.38Å; I246-F250 PolarHBondContact O-N 2.88Å |
| 247 | W | 98.2 | Very high | 96.5 | Very high | 146 Ų | 146 | 54.9 Ų | 54.9 | 55% | 0.553 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -61.4 | -45.5 | 174.5 | 167.9 | 80.9 | 0 | 0 | 0 | 112 | S243 I244 I245 H249 F250 H251 | S243-W247 WeakPolarHBondContact O-CB 3.48Å; S243-W247 PolarHBondContact O-N 3.13Å; I244-W247 HydrophobicContact CG2-CE3 4.32Å; I244-W247 PolarHBondContact O-N 2.85Å; I245-W247 VanDerWaalsContact C-N 3.33Å; W247-H249 PolarHBondContact O-N 3.26Å; W247-F250 PolarHBondContact O-N 3.3Å; W247-H251 HydrophobicContact CZ2-CB 4.24Å; W247-H251 WeakPolarHBondContact O-CB 3.38Å; W247-H251 PolarHBondContact O-N 3.48Å |
| 248 | Q | 98 | Very high | 96.3 | Very high | 9 Ų | 9 | 58.1 Ų | 58.1 | 4% | 0.042 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -54.9 | -39 | 174.6 | -79.8 | -178.1 | -31.6 | 0 | 0 | 111.7 | L184 N187 T193 I244 I245 Y252 | L184-Q248 PolarHBondContact O-NE2 2.95Å; N187-Q248 PolarHBondContact ND2-OE1 3.49Å; T193-Q248 HydrophobicContact CG2-CB 4.22Å; I244-Q248 WeakPolarHBondContact O-CG 3.2Å; I244-Q248 PolarHBondContact O-N 3Å; I245-Q248 WeakPolarHBondContact O-CB 3.21Å; I245-Q248 PolarHBondContact O-N 3.29Å; Q248-Y252 HydrophobicContact CB-CD2 4.13Å; Q248-Y252 HydrophobicContact CB-CE2 3.69Å; Q248-Y252 HydrophobicContact CG-CE2 3.91Å; Q248-Y252 WeakPolarHBondContact O-CB 3.28Å; Q248-Y252 WeakPolarHBondContact O-CD2 3.45Å; Q248-Y252 VanDerWaalsContact O-CG 3.29Å; Q248-Y252 PolarHBondContact O-N 3.3Å |
| 249 | H | 97.2 | Very high | 96 | Very high | 37 Ų | 37 | 64.6 Ų | 64.6 | 17% | 0.171 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.1 | -52.1 | 177.6 | 173.5 | 66.7 | 0 | 0 | 0 | 112.7 | T193 M198 I245 I246 W247 R253 | T193-H249 HydrophobicContact CG2-CB 4.1Å; T193-H249 WeakPolarHBondContact OG1-CA 3.38Å; T193-H249 PolarHBondContact OG1-ND1 3.44Å; M198-H249 HydrophobicContact CE-CB 3.6Å; M198-H249 HydrophobicContact CG-CB 4.2Å; M198-H249 HydrophobicContact SD-CB 3.49Å; M198-H249 WeakPolarHBondContact SD-CB 3.42Å; M198-H249 VanDerWaalsContact SD-CG 3.55Å; I245-H249 PolarHBondContact O-N 2.88Å; I245-H249 VanDerWaalsContact O-N 3.09Å; I246-H249 WeakPolarHBondContact O-CB 3.28Å; I246-H249 PolarHBondContact O-N 3.48Å; W247-H249 PolarHBondContact O-N 3.26Å; H249-R253 WeakPolarHBondContact O-CB 3.29Å; H249-R253 PolarHBondContact O-N 3.33Å |
| 250 | F | 97.6 | Very high | 95.7 | Very high | 103 Ų | 103 | 69.5 Ų | 69.5 | 45% | 0.452 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -68 | -42.4 | 179.8 | -68.6 | -67.7 | 0 | 0 | 0 | 111.5 | Y202 I246 W247 R253 T254 | Y202-F250 WeakPolarHBondContact OH-CZ 3.29Å; I246-F250 HydrophobicContact CG2-CD2 4.05Å; I246-F250 HydrophobicContact CG2-CE2 3.71Å; I246-F250 VanDerWaalsContact O-CD2 3.25Å; I246-F250 WeakPolarHBondContact O-CD2 3.38Å; I246-F250 PolarHBondContact O-N 2.88Å; W247-F250 PolarHBondContact O-N 3.3Å; F250-R253 PolarHBondContact O-N 3.23Å; F250-T254 PolarHBondContact O-N 3.32Å; F250-T254 PolarHBondContact O-OG1 3.17Å |
| 251 | H | 97.2 | Very high | 95.3 | Very high | 69 Ų | 69 | 67.9 Ų | 67.9 | 32% | 0.319 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60.1 | -50.3 | -179.1 | -177 | 64 | 0 | 0 | 0 | 112.5 | W247 R253 T254 N255 | W247-H251 HydrophobicContact CZ2-CB 4.24Å; W247-H251 WeakPolarHBondContact O-CB 3.38Å; W247-H251 PolarHBondContact O-N 3.48Å; H251-R253 VanDerWaalsContact C-N 3.3Å; H251-R253 PolarHBondContact O-N 3.22Å; H251-T254 PolarHBondContact O-N 3.43Å; H251-N255 PolarHBondContact NE2-ND2 2.89Å; H251-N255 VanDerWaalsContact NE2-ND2 3.17Å; H251-N255 PolarHBondContact O-N 2.88Å; H251-N255 PolarHBondContact O-OD1 3.07Å |
| 252 | Y | 96.8 | Very high | 95 | Very high | 19 Ų | 19 | 69.9 Ų | 69.9 | 8% | 0.075 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -68.6 | -29.9 | 179.5 | -61.7 | -38.4 | 0 | 0 | 0 | 113.2 | N187 F188 L191 T193 Q248 R256 | N187-Y252 HydrophobicContact CB-CE2 4.34Å; N187-Y252 WeakPolarHBondContact O-CE2 3.33Å; F188-Y252 WeakPolarHBondContact CA-OH 3.39Å; L191-Y252 VanDerWaalsContact C-CG 3.45Å; L191-Y252 HydrophobicContact CB-CD1 4.34Å; L191-Y252 HydrophobicContact CB-CE1 4.37Å; L191-Y252 HydrophobicContact CD2-CE1 3.88Å; L191-Y252 WeakPolarHBondContact O-CB 3.19Å; L191-Y252 VanDerWaalsContact O-CG 3.31Å; T193-Y252 HydrophobicContact CG2-CD2 4.29Å; Q248-Y252 HydrophobicContact CB-CD2 4.13Å; Q248-Y252 HydrophobicContact CB-CE2 3.69Å; Q248-Y252 HydrophobicContact CG-CE2 3.91Å; Q248-Y252 WeakPolarHBondContact O-CB 3.28Å; Q248-Y252 WeakPolarHBondContact O-CD2 3.45Å; Q248-Y252 VanDerWaalsContact O-CG 3.29Å; Q248-Y252 PolarHBondContact O-N 3.3Å; Y252-R256 WeakPolarHBondContact O-CB 3.38Å; Y252-R256 PolarHBondContact O-N 3.3Å; Y252-R256 VanDerWaalsContact O-N 3.17Å |
| 253 | R | 94.1 | Very high | 94.5 | Very high | 158 Ų | 158 | 72.1 Ų | 72.1 | 60% | 0.596 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -67 | -41.6 | 174.3 | -177.5 | 179.6 | 169.9 | -176.6 | -4.2 | 111.6 | H249 F250 H251 A257 | H249-R253 WeakPolarHBondContact O-CB 3.29Å; H249-R253 PolarHBondContact O-N 3.33Å; F250-R253 PolarHBondContact O-N 3.23Å; H251-R253 VanDerWaalsContact C-N 3.3Å; H251-R253 PolarHBondContact O-N 3.22Å; R253-A257 PolarHBondContact O-N 3.03Å |
| 254 | T | 95 | Very high | 93.9 | Very high | 75 Ų | 75 | 74.5 Ų | 74.5 | 46% | 0.46 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.6 | -51.3 | 176.2 | -60.5 | 0 | 0 | 0 | 0 | 111 | F250 H251 R256 A257 D258 | F250-T254 PolarHBondContact O-N 3.32Å; F250-T254 PolarHBondContact O-OG1 3.17Å; H251-T254 PolarHBondContact O-N 3.43Å; T254-R256 PolarHBondContact O-N 3.41Å; T254-A257 WeakPolarHBondContact O-CB 3.36Å; T254-A257 PolarHBondContact O-N 2.92Å; T254-D258 PolarHBondContact O-N 3.32Å |
| 255 | N | 92.5 | Very high | 93.2 | Very high | 57 Ų | 57 | 76 Ų | 76 | 31% | 0.305 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -56.5 | -38.9 | -179.9 | -64.5 | -3.9 | 0 | 0 | 0 | 112 | H251 D258 E259 | H251-N255 PolarHBondContact NE2-ND2 2.89Å; H251-N255 VanDerWaalsContact NE2-ND2 3.17Å; H251-N255 PolarHBondContact O-N 2.88Å; H251-N255 PolarHBondContact O-OD1 3.07Å; N255-D258 PolarHBondContact O-N 3.08Å; N255-E259 WeakPolarHBondContact O-CG 3.47Å; N255-E259 PolarHBondContact O-N 3.42Å |
| 256 | R | 90.9 | Very high | 92.3 | Very high | 134 Ų | 134 | 77.9 Ų | 77.9 | 51% | 0.506 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -66.7 | -37.4 | 177.5 | -163.2 | 178.1 | 73.8 | 177 | 2.8 | 112.9 | Y252 T254 D258 E259 E260 | Y252-R256 WeakPolarHBondContact O-CB 3.38Å; Y252-R256 PolarHBondContact O-N 3.3Å; Y252-R256 VanDerWaalsContact O-N 3.17Å; T254-R256 PolarHBondContact O-N 3.41Å; R256-D258 VanDerWaalsContact C-N 3.33Å; R256-E259 PolarHBondContact O-N 2.85Å; R256-E260 IonicContact NE-OE1 2.94Å; R256-E260 WeakPolarHBondContact O-CB 3.02Å; R256-E260 VanDerWaalsContact O-CG 3.29Å; R256-E260 WeakPolarHBondContact O-CG 3.34Å; R256-E260 PolarHBondContact O-N 3.19Å |
| 257 | A | 90.9 | Very high | 91.4 | Very high | 50 Ų | 50 | 85.1 Ų | 85.1 | 41% | 0.413 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -67.7 | -35.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | R253 T254 S261 | R253-A257 PolarHBondContact O-N 3.03Å; T254-A257 WeakPolarHBondContact O-CB 3.36Å; T254-A257 PolarHBondContact O-N 2.92Å; A257-S261 WeakPolarHBondContact O-CB 3.46Å; A257-S261 PolarHBondContact O-N 3.34Å; A257-S261 PolarHBondContact O-OG 3.34Å |
| 258 | D | 92.4 | Very high | 90.4 | Very high | 90 Ų | 90 | 83 Ų | 83 | 48% | 0.481 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -69.2 | -38.9 | 176.3 | -63.2 | -22 | 0 | 0 | 0 | 111.5 | T254 N255 R256 S261 S262 | T254-D258 PolarHBondContact O-N 3.32Å; N255-D258 PolarHBondContact O-N 3.08Å; R256-D258 VanDerWaalsContact C-N 3.33Å; D258-S261 WeakPolarHBondContact CA-OG 3.37Å; D258-S261 PolarHBondContact O-OG 3.4Å; D258-S262 WeakPolarHBondContact O-CB 3.47Å; D258-S262 PolarHBondContact O-N 3.02Å; D258-S262 PolarHBondContact O-OG 3.44Å |
| 259 | E | 90.9 | Very high | 89.3 | Confident | 136 Ų | 136 | 87.8 Ų | 87.8 | 64% | 0.636 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -66 | -43.1 | 172.9 | -74.1 | 174.5 | -173.3 | 0 | 0 | 112.5 | N255 R256 S262 G263 | N255-E259 WeakPolarHBondContact O-CG 3.47Å; N255-E259 PolarHBondContact O-N 3.42Å; R256-E259 PolarHBondContact O-N 2.85Å; E259-S262 WeakPolarHBondContact CA-OG 3.27Å; E259-S262 PolarHBondContact O-OG 3.39Å; E259-S262 VanDerWaalsContact O-OG 3.07Å; E259-G263 PolarHBondContact O-N 3.34Å |
| 260 | E | 90.7 | Very high | 88.2 | Confident | 112 Ų | 112 | 91.2 Ų | 91.2 | 52% | 0.523 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.5 | -42.3 | 176.8 | -75.5 | 170.5 | -164.8 | 0 | 0 | 111.5 | R256 I264 | R256-E260 IonicContact NE-OE1 2.94Å; R256-E260 WeakPolarHBondContact O-CB 3.02Å; R256-E260 VanDerWaalsContact O-CG 3.29Å; R256-E260 WeakPolarHBondContact O-CG 3.34Å; R256-E260 PolarHBondContact O-N 3.19Å; E260-I264 WeakPolarHBondContact O-CD1 3.12Å; E260-I264 VanDerWaalsContact O-CG1 3.26Å; E260-I264 WeakPolarHBondContact O-CG1 3.22Å; E260-I264 PolarHBondContact O-N 3.38Å; E260-I264 VanDerWaalsContact O-N 3.16Å |
| 261 | S | 90.7 | Very high | 87 | Confident | 55 Ų | 55 | 93.1 Ų | 93.1 | 39% | 0.385 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69.8 | -43.2 | 178.9 | 59.7 | 0 | 0 | 0 | 0 | 112.9 | A257 D258 G263 I264 I265 | A257-S261 WeakPolarHBondContact O-CB 3.46Å; A257-S261 PolarHBondContact O-N 3.34Å; A257-S261 PolarHBondContact O-OG 3.34Å; D258-S261 WeakPolarHBondContact CA-OG 3.37Å; D258-S261 PolarHBondContact O-OG 3.4Å; S261-G263 VanDerWaalsContact C-N 3.35Å; S261-G263 PolarHBondContact O-N 3.27Å; S261-I264 PolarHBondContact O-N 3.05Å; S261-I265 WeakPolarHBondContact O-CG1 3.46Å; S261-I265 PolarHBondContact O-N 2.71Å; S261-I265 VanDerWaalsContact O-N 3.08Å |
| 262 | S | 91 | Very high | 85.2 | Confident | 69 Ų | 69 | 103.3 Ų | 103.3 | 48% | 0.483 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.7 | -36.4 | 175.4 | 55.3 | 0 | 0 | 0 | 0 | 112.6 | D258 E259 I264 I265 G266 | D258-S262 WeakPolarHBondContact O-CB 3.47Å; D258-S262 PolarHBondContact O-N 3.02Å; D258-S262 PolarHBondContact O-OG 3.44Å; E259-S262 WeakPolarHBondContact CA-OG 3.27Å; E259-S262 PolarHBondContact O-OG 3.39Å; E259-S262 VanDerWaalsContact O-OG 3.07Å; S262-I264 VanDerWaalsContact C-N 3.33Å; S262-I264 PolarHBondContact O-N 3.1Å; S262-I265 PolarHBondContact O-N 2.88Å; S262-G266 PolarHBondContact O-N 3.01Å |
| 263 | G | 88.3 | Confident | 84.6 | Confident | 46 Ų | 46 | 107.6 Ų | 107.6 | 47% | 0.474 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -64.8 | -33.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | E259 S261 R267 | E259-G263 PolarHBondContact O-N 3.34Å; S261-G263 VanDerWaalsContact C-N 3.35Å; S261-G263 PolarHBondContact O-N 3.27Å; G263-R267 WeakPolarHBondContact O-CB 3.01Å; G263-R267 PolarHBondContact O-N 3.36Å |
| 264 | I | 85.2 | Confident | 84.1 | Confident | 103 Ų | 103 | 104.9 Ų | 104.9 | 53% | 0.528 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -70 | -47.8 | 173.8 | -68.4 | 163.9 | 0 | 0 | 0 | 110.4 | E260 S261 S262 G266 R267 D268 | E260-I264 WeakPolarHBondContact O-CD1 3.12Å; E260-I264 VanDerWaalsContact O-CG1 3.26Å; E260-I264 WeakPolarHBondContact O-CG1 3.22Å; E260-I264 PolarHBondContact O-N 3.38Å; E260-I264 VanDerWaalsContact O-N 3.16Å; S261-I264 PolarHBondContact O-N 3.05Å; S262-I264 VanDerWaalsContact C-N 3.33Å; S262-I264 PolarHBondContact O-N 3.1Å; I264-G266 PolarHBondContact O-N 3.41Å; I264-R267 PolarHBondContact O-N 3.25Å; I264-D268 PolarHBondContact O-N 3.27Å |
| 265 | I | 82.6 | Confident | 83.5 | Confident | 101 Ų | 101 | 106.6 Ų | 106.6 | 52% | 0.518 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -58.4 | -47.4 | 179.1 | -65.7 | 165.8 | 0 | 0 | 0 | 110.8 | S261 S262 R267 D268 D269 | S261-I265 WeakPolarHBondContact O-CG1 3.46Å; S261-I265 PolarHBondContact O-N 2.71Å; S261-I265 VanDerWaalsContact O-N 3.08Å; S262-I265 PolarHBondContact O-N 2.88Å; I265-R267 PolarHBondContact O-N 3.44Å; I265-D268 PolarHBondContact O-N 3.1Å; I265-D269 PolarHBondContact O-N 2.74Å |
| 266 | G | 80.8 | Confident | 83 | Confident | 39 Ų | 39 | 109.5 Ų | 109.5 | 40% | 0.402 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.5 | -25.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | S262 I264 T270 | S262-G266 PolarHBondContact O-N 3.01Å; I264-G266 PolarHBondContact O-N 3.41Å; G266-T270 PolarHBondContact O-N 2.85Å; G266-T270 PolarHBondContact O-OG1 3.42Å |
| 267 | R | 77.9 | Confident | 82.5 | Confident | 180 Ų | 180 | 107.9 Ų | 107.9 | 68% | 0.679 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -78.6 | -35.9 | 175.2 | -168.3 | 178.2 | -76.1 | -179.4 | -2.7 | 112.1 | G263 I264 I265 T270 L271 | G263-R267 WeakPolarHBondContact O-CB 3.01Å; G263-R267 PolarHBondContact O-N 3.36Å; I264-R267 PolarHBondContact O-N 3.25Å; I265-R267 PolarHBondContact O-N 3.44Å; R267-T270 WeakPolarHBondContact CA-OG1 3.45Å; R267-T270 PolarHBondContact O-N 2.95Å; R267-T270 PolarHBondContact O-OG1 2.86Å; R267-L271 WeakPolarHBondContact O-CG 3.09Å |
| 268 | D | 77 | Confident | 82 | Confident | 101 Ų | 101 | 111.8 Ų | 111.8 | 54% | 0.54 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -68.8 | -37.7 | 174.3 | -78.1 | -9.8 | 0 | 0 | 0 | 111.6 | I264 I265 T270 L271 | I264-D268 PolarHBondContact O-N 3.27Å; I265-D268 PolarHBondContact O-N 3.1Å; D268-T270 VanDerWaalsContact C-N 3.27Å; D268-T270 PolarHBondContact O-N 2.02Å; D268-L271 PolarHBondContact O-N 3.12Å |
| 269 | D | 76.3 | Confident | 81.2 | Confident | 109 Ų | 109 | 113.4 Ų | 113.4 | 58% | 0.583 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -68.3 | -23.3 | 176.8 | -73.4 | -23.7 | 0 | 0 | 0 | 113.3 | I265 | I265-D269 PolarHBondContact O-N 2.74Å |
| 270 | T | 73.4 | Confident | 80.5 | Confident | 110 Ų | 110 | 111.6 Ų | 111.6 | 68% | 0.675 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | -9.3 | 176.9 | 39.1 | 0 | 0 | 0 | 0 | 114 | G266 R267 D268 | G266-T270 PolarHBondContact O-N 2.85Å; G266-T270 PolarHBondContact O-OG1 3.42Å; R267-T270 WeakPolarHBondContact CA-OG1 3.45Å; R267-T270 PolarHBondContact O-N 2.95Å; R267-T270 PolarHBondContact O-OG1 2.86Å; D268-T270 VanDerWaalsContact C-N 3.27Å; D268-T270 PolarHBondContact O-N 2.02Å |
| 271 | L | 71.7 | Confident | 79.6 | Confident | 143 Ų | 143 | 111.6 Ų | 111.6 | 75% | 0.749 | 59% | 0.59 | S | S | * | * | trans | -97.2 | -6 | 177.5 | -71.6 | 172.5 | 0 | 0 | 0 | 113.9 | R267 D268 | R267-L271 WeakPolarHBondContact O-CG 3.09Å; D268-L271 PolarHBondContact O-N 3.12Å | ||
| 272 | R | 60.5 | Low | 78.6 | Confident | 283 Ų | 283 | 116.7 Ų | 116.7 | 100% | 1.068 | 61% | 0.609 | S | S | * | * | trans | -93.2 | 0 | 172 | -85.9 | -173.9 | -176.6 | 178.5 | 4.3 | 112 |
Retrieved 272 of 272 residues in 164 ms
(Link to these results)