| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 35.6 | Very low | 57.4 | Low | 220 Ų | 220 | 92.1 Ų | 92.1 | 100% | 1.084 | 48% | 0.479 | S | S | * | . | 0 | 118 | 0 | -86.1 | 177 | 167.6 | 0 | 0 | 108.1 | Q3 | M1-Q3 PolarHBondContact O-N 2.96Š| |||
| 2 | A | 30.7 | Very low | 59.6 | Low | 111 Ų | 111 | 84.6 Ų | 84.6 | 92% | 0.917 | 44% | 0.44 | S | S | * | . | trans | -66.5 | 113.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 3 | Q | 40.9 | Very low | 61.4 | Low | 93 Ų | 93 | 80.6 Ų | 80.6 | 44% | 0.435 | 42% | 0.423 | S | S | . | . | trans | -102.1 | 127.2 | 163.8 | -81 | -175.8 | -9 | 0 | 0 | 108.3 | M1 | M1-Q3 PolarHBondContact O-N 2.96Š| ||
| 4 | T | 45 | Very low | 63 | Low | 121 Ų | 121 | 77.4 Ų | 77.4 | 74% | 0.742 | 41% | 0.406 | S | S | * | . | trans | -34.5 | 144.1 | 168.2 | 21.6 | 0 | 0 | 0 | 0 | 113.4 | L6 Q378 | T4-L6 PolarHBondContact O-N 3.49Å; T4-Q378 PolarHBondContact O-NE2 3.33Å; T4-Q378 VanDerWaalsContact O-NE2 3.13Å | ||
| 5 | E | 53 | Low | 64.3 | Low | 140 Ų | 140 | 77.7 Ų | 77.7 | 65% | 0.654 | 41% | 0.414 | S | S | * | . | trans | -37.3 | 132.2 | 176.6 | -68.7 | -170.4 | 141.2 | 0 | 0 | 112.1 | Y7 H10 | E5-Y7 PolarHBondContact O-N 2.93Å; E5-H10 IonicContact OE1-CE1 3.79Å; E5-H10 IonicContact OE1-NE2 2.66Å; E5-H10 IonicContact OE2-CD2 2.78Å; E5-H10 IonicContact OE2-CE1 3.79Å; E5-H10 IonicContact OE2-NE2 3.74Å; E5-H10 PolarHBondContact OE2-NE2 3.03Å | ||
| 6 | L | 59.8 | Low | 65.2 | Low | 22 Ų | 22 | 84 Ų | 84 | 12% | 0.115 | 44% | 0.437 | C | S | . | . | trans | -56.8 | 102.7 | 174.5 | -85.3 | 138.9 | 0 | 0 | 0 | 109.5 | T4 W8 D9 I130 | T4-L6 PolarHBondContact O-N 3.49Å; L6-W8 VanDerWaalsContact C-N 3.25Å; L6-W8 HydrophobicContact CD2-CH2 4Å; L6-W8 HydrophobicContact CD2-CZ2 3.35Å; L6-W8 PolarHBondContact O-N 2.78Å; L6-W8 VanDerWaalsContact O-N 3.12Å; L6-D9 HydrophobicContact CB-CB 3.77Å; L6-D9 VanDerWaalsContact O-CB 3.24Å; L6-D9 WeakPolarHBondContact O-CB 3.12Å; L6-D9 PolarHBondContact O-N 3.48Å; L6-I130 HydrophobicContact CD1-CG2 3.57Å; L6-I130 HydrophobicContact CD2-CG2 3.4Å; L6-I130 VanDerWaalsContact CD2-CG2 3.4Å; L6-I130 HydrophobicContact CG-CG2 4.12Å | ||
| 7 | Y | 61.6 | Low | 66.3 | Low | 145 Ų | 145 | 81.9 Ų | 81.9 | 57% | 0.569 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -34.2 | -165 | -173.8 | -101.6 | 0 | 0 | 0 | 113.3 | E5 H11 Y433 | E5-Y7 PolarHBondContact O-N 2.93Å; Y7-H11 PolarHBondContact O-CD2 2.95Å; Y7-Y433 HydrophobicContact CD1-CE2 4.18Å; Y7-Y433 HydrophobicContact CE1-CD2 4.33Å; Y7-Y433 AromaticContact CE1-CE2 3.47Å; Y7-Y433 HydrophobicContact CE1-CE2 3.47Å; Y7-Y433 VanDerWaalsContact CE1-CE2 3.47Å; Y7-Y433 AromaticContact CE1-CZ 3.66Å |
| 8 | W | 70.9 | Confident | 67.1 | Low | 7 Ų | 7 | 79.4 Ų | 79.4 | 3% | 0.027 | 42% | 0.424 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -17.8 | 177.1 | 58.4 | 79.5 | 0 | 0 | 0 | 114.4 | L6 H10 H11 Q378 Y426 | L6-W8 VanDerWaalsContact C-N 3.25Å; L6-W8 HydrophobicContact CD2-CH2 4Å; L6-W8 HydrophobicContact CD2-CZ2 3.35Å; L6-W8 PolarHBondContact O-N 2.78Å; L6-W8 VanDerWaalsContact O-N 3.12Å; W8-H10 VanDerWaalsContact C-N 3.28Å; W8-H10 PolarHBondContact O-N 3.13Å; W8-H11 PolarHBondContact O-N 2.96Å; W8-H11 VanDerWaalsContact O-N 3.08Å; W8-Q378 HydrophobicContact CH2-CB 3.37Å; W8-Q378 HydrophobicContact CZ2-CB 4.29Å; W8-Q378 HydrophobicContact CZ3-CB 3.94Å; W8-Y426 HydrophobicContact CD2-CE2 4.4Å; W8-Y426 AromaticContact CE2-CE2 3.97Å; W8-Y426 AromaticContact CH2-CE2 3.95Å; W8-Y426 HydrophobicContact CH2-CE2 3.95Å; W8-Y426 AromaticContact CZ2-CD2 3.91Å; W8-Y426 HydrophobicContact CZ2-CD2 3.91Å; W8-Y426 AromaticContact CZ2-CE2 3.74Å; W8-Y426 HydrophobicContact CZ2-CE2 3.74Å; W8-Y426 HydrophobicContact CZ3-CE2 4.42Å |
| 9 | D | 78.4 | Confident | 67.9 | Low | 21 Ų | 21 | 77.8 Ų | 77.8 | 11% | 0.112 | 42% | 0.423 | C | S | . | . | G | 310 helix | trans | -62.6 | -38.6 | -173.9 | -161.6 | 67.8 | 0 | 0 | 0 | 111 | L6 H11 I12 K147 T148 | L6-D9 HydrophobicContact CB-CB 3.77Å; L6-D9 VanDerWaalsContact O-CB 3.24Å; L6-D9 WeakPolarHBondContact O-CB 3.12Å; L6-D9 PolarHBondContact O-N 3.48Å; D9-H11 PolarHBondContact O-N 3.32Å; D9-I12 WeakPolarHBondContact O-CB 3.48Å; D9-I12 PolarHBondContact O-N 2.96Å; D9-I12 VanDerWaalsContact O-N 3.16Å; D9-K147 WeakPolarHBondContact O-CD 3.46Å; D9-K147 PolarHBondContact OD1-N 3.5Å; D9-K147 VanDerWaalsContact OD1-N 3.12Å; D9-K147 PolarHBondContact OD2-N 3.11Å; D9-T148 VanDerWaalsContact OD1-CB 3.31Å; D9-T148 WeakPolarHBondContact OD1-CB 3.41Å; D9-T148 PolarHBondContact OD1-N 2.84Å; D9-T148 PolarHBondContact OD1-OG1 3.29Å |
| 10 | H | 75.9 | Confident | 68.9 | Low | 90 Ų | 90 | 79.6 Ų | 79.6 | 42% | 0.417 | 44% | 0.436 | S | S | . | . | G | 310 helix | trans | -58.9 | -29.2 | 176.7 | -67.5 | -56.2 | 0 | 0 | 0 | 113.7 | E5 W8 | E5-H10 IonicContact OE1-CE1 3.79Å; E5-H10 IonicContact OE1-NE2 2.66Å; E5-H10 IonicContact OE2-CD2 2.78Å; E5-H10 IonicContact OE2-CE1 3.79Å; E5-H10 IonicContact OE2-NE2 3.74Å; E5-H10 PolarHBondContact OE2-NE2 3.03Å; W8-H10 VanDerWaalsContact C-N 3.28Å; W8-H10 PolarHBondContact O-N 3.13Å |
| 11 | H | 79.4 | Confident | 69.9 | Low | 43 Ų | 43 | 81.1 Ų | 81.1 | 20% | 0.199 | 44% | 0.44 | C | S | . | . | G | 310 helix | trans | -80.8 | -15.5 | -177.2 | -67.1 | -84 | 0 | 0 | 0 | 113.5 | Y7 W8 D9 Y433 K439 | Y7-H11 PolarHBondContact O-CD2 2.95Å; W8-H11 PolarHBondContact O-N 2.96Å; W8-H11 VanDerWaalsContact O-N 3.08Å; D9-H11 PolarHBondContact O-N 3.32Å; H11-Y433 AromaticContact CD2-CD2 3.6Å; H11-Y433 AromaticContact CE1-CD2 3.93Å; H11-Y433 AromaticContact NE2-CD2 3.54Å; H11-Y433 AromaticContact NE2-CE2 3.99Å; H11-K439 WeakPolarHBondContact O-CE 3.26Å |
| 12 | I | 83.8 | Confident | 72.5 | Confident | 2 Ų | 2 | 70.7 Ų | 70.7 | 1% | 0.01 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -64.4 | 128.3 | 177.1 | -63.2 | 177.4 | 0 | 0 | 0 | 109.2 | D9 L14 K147 T148 L151 | D9-I12 WeakPolarHBondContact O-CB 3.48Å; D9-I12 PolarHBondContact O-N 2.96Å; D9-I12 VanDerWaalsContact O-N 3.16Å; I12-L14 HydrophobicContact CG2-CB 4.09Å; I12-L14 HydrophobicContact CG2-CD1 3.98Å; I12-L14 HydrophobicContact CG2-CG 3.9Å; I12-L14 PolarHBondContact O-N 3.12Å; I12-K147 HydrophobicContact CB-CB 4.07Å; I12-K147 HydrophobicContact CB-CD 4.3Å; I12-K147 HydrophobicContact CD1-CB 4.22Å; I12-K147 HydrophobicContact CG2-CB 4.17Å; I12-K147 PolarHBondContact O-NZ 3.05Å; I12-T148 HydrophobicContact CD1-CG2 4.43Å; I12-T148 WeakPolarHBondContact CD1-OG1 3.4Å; I12-L151 HydrophobicContact CG2-CD2 4.11Å |
| 13 | P | 82.9 | Confident | 75.5 | Confident | 33 Ų | 33 | 68.6 Ų | 68.6 | 21% | 0.214 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -78.6 | 43.5 | -175.9 | 35.5 | -37.9 | 0 | 0 | 0 | 112.4 | C443 L446 | P13-C443 HydrophobicContact CB-CB 3.87Å; P13-C443 HydrophobicContact CG-CB 3.91Å; P13-L446 HydrophobicContact CG-CD2 4.08Å |
| 14 | L | 84.2 | Confident | 78.1 | Confident | 35 Ų | 35 | 68 Ų | 68 | 18% | 0.183 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -108.7 | 146.3 | 172.1 | -72.6 | 176.2 | 0 | 0 | 0 | 110.4 | I12 K147 L150 L151 | I12-L14 HydrophobicContact CG2-CB 4.09Å; I12-L14 HydrophobicContact CG2-CD1 3.98Å; I12-L14 HydrophobicContact CG2-CG 3.9Å; I12-L14 PolarHBondContact O-N 3.12Å; L14-K147 HydrophobicContact CB-CD 4.5Å; L14-K147 WeakPolarHBondContact O-CD 3.34Å; L14-K147 WeakPolarHBondContact O-CE 3.47Å; L14-K147 PolarHBondContact O-NZ 3.44Å; L14-L150 HydrophobicContact CD1-CD2 4.37Å; L14-L150 HydrophobicContact CD1-CG 4.42Å; L14-L151 HydrophobicContact CD1-CB 3.77Å; L14-L151 HydrophobicContact CD1-CD1 4.05Å; L14-L151 HydrophobicContact CD1-CG 4.41Å |
| 15 | P | 82.6 | Confident | 80.5 | Confident | 82 Ų | 82 | 64.8 Ų | 64.8 | 53% | 0.532 | 34% | 0.342 | S | S | . | . | trans | -63.7 | 149.1 | 170.6 | 28.2 | -33.4 | 0 | 0 | 0 | 110.2 | L17 | P15-L17 HydrophobicContact CB-CD2 4.28Å; P15-L17 HydrophobicContact CG-CD2 4.02Å; P15-L17 HydrophobicContact CG-CG 4.21Å; P15-L17 PolarHBondContact O-N 3.43Å | ||
| 16 | K | 78.6 | Confident | 82.6 | Confident | 179 Ų | 179 | 58.1 Ų | 58.1 | 78% | 0.778 | 31% | 0.31 | S | S | * | . | trans | -76.3 | 104.9 | 170.7 | -168.9 | 175.7 | -176 | 176.2 | 0 | 107.3 | ||||
| 17 | L | 83.3 | Confident | 84.4 | Confident | 48 Ų | 48 | 58.2 Ų | 58.2 | 25% | 0.251 | 31% | 0.314 | S | S | . | . | trans | -94.6 | 148.5 | -179.8 | -63.7 | -178.4 | 0 | 0 | 0 | 110.8 | P15 Q21 A22 L150 | P15-L17 HydrophobicContact CB-CD2 4.28Å; P15-L17 HydrophobicContact CG-CD2 4.02Å; P15-L17 HydrophobicContact CG-CG 4.21Å; P15-L17 PolarHBondContact O-N 3.43Å; L17-Q21 HydrophobicContact CB-CB 4.16Å; L17-Q21 HydrophobicContact CD2-CB 4.48Å; L17-A22 HydrophobicContact CB-CB 4.27Å; L17-L150 HydrophobicContact CD1-CD2 3.8Å; L17-L150 HydrophobicContact CG-CD2 4.34Å | ||
| 18 | G | 81.8 | Confident | 86.2 | Confident | 38 Ų | 38 | 54.7 Ų | 54.7 | 39% | 0.392 | 31% | 0.308 | S | S | . | . | trans | -65.5 | 157.5 | 166.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | V20 Q21 A22 | G18-V20 VanDerWaalsContact C-N 3.29Å; G18-V20 PolarHBondContact O-N 3.12Å; G18-Q21 PolarHBondContact O-N 2.84Å; G18-A22 WeakPolarHBondContact O-CB 3.37Å; G18-A22 PolarHBondContact O-N 3.18Å | ||
| 19 | A | 81.9 | Confident | 87.4 | Confident | 49 Ų | 49 | 55.5 Ų | 55.5 | 41% | 0.405 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -55.5 | -42 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | K23 | A19-K23 VanDerWaalsContact O-CG 3.28Å; A19-K23 WeakPolarHBondContact O-CG 3.46Å; A19-K23 PolarHBondContact O-N 2.86Å; A19-K23 VanDerWaalsContact O-N 3.07Å |
| 20 | V | 87.5 | Confident | 88.4 | Confident | 113 Ų | 113 | 54.5 Ų | 54.5 | 69% | 0.685 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -65.7 | -45.3 | 176.9 | 179.6 | 0 | 0 | 0 | 0 | 111.3 | G18 A22 K23 V24 | G18-V20 VanDerWaalsContact C-N 3.29Å; G18-V20 PolarHBondContact O-N 3.12Å; V20-A22 VanDerWaalsContact C-N 3.35Å; V20-A22 PolarHBondContact O-N 3.07Å; V20-K23 PolarHBondContact O-N 2.87Å; V20-V24 HydrophobicContact CG1-CG2 4.34Å; V20-V24 WeakPolarHBondContact O-CG2 3.4Å; V20-V24 PolarHBondContact O-N 3.2Å |
| 21 | Q | 90.4 | Very high | 89.4 | Confident | 112 Ų | 112 | 53.4 Ų | 53.4 | 52% | 0.523 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63 | -41 | 179 | -69.1 | 173.2 | -21.1 | 0 | 0 | 111.9 | L17 G18 V24 T25 | L17-Q21 HydrophobicContact CB-CB 4.16Å; L17-Q21 HydrophobicContact CD2-CB 4.48Å; G18-Q21 PolarHBondContact O-N 2.84Å; Q21-V24 PolarHBondContact O-N 3.34Å; Q21-T25 WeakPolarHBondContact O-CB 3.26Å; Q21-T25 PolarHBondContact O-N 3.12Å; Q21-T25 PolarHBondContact O-OG1 3.35Å |
| 22 | A | 91.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59.9 | -48.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | L17 G18 V20 T25 V26 I123 A145 L150 | L17-A22 HydrophobicContact CB-CB 4.27Å; G18-A22 WeakPolarHBondContact O-CB 3.37Å; G18-A22 PolarHBondContact O-N 3.18Å; V20-A22 VanDerWaalsContact C-N 3.35Å; V20-A22 PolarHBondContact O-N 3.07Å; A22-T25 PolarHBondContact O-N 2.91Å; A22-V26 PolarHBondContact O-N 3.29Å; A22-I123 HydrophobicContact CB-CD1 4.34Å; A22-A145 HydrophobicContact CB-CB 4.1Å; A22-L150 HydrophobicContact CB-CD1 4.03Å |
| 23 | K | 93.5 | Very high | 90.8 | Very high | 67 Ų | 67 | 56.2 Ų | 56.2 | 29% | 0.291 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.6 | -46.4 | 177.1 | -70.3 | -176.7 | 176.5 | -166.7 | 0 | 112 | A19 V20 T25 V26 A27 V120 I123 D124 | A19-K23 VanDerWaalsContact O-CG 3.28Å; A19-K23 WeakPolarHBondContact O-CG 3.46Å; A19-K23 PolarHBondContact O-N 2.86Å; A19-K23 VanDerWaalsContact O-N 3.07Å; V20-K23 PolarHBondContact O-N 2.87Å; K23-T25 VanDerWaalsContact C-N 3.33Å; K23-T25 PolarHBondContact O-N 3.39Å; K23-V26 PolarHBondContact O-N 3.08Å; K23-A27 WeakPolarHBondContact O-CB 3.49Å; K23-A27 PolarHBondContact O-N 3.46Å; K23-V120 HydrophobicContact CB-CG1 3.84Å; K23-V120 HydrophobicContact CD-CG1 3.94Å; K23-V120 HydrophobicContact CG-CG1 3.77Å; K23-V120 WeakPolarHBondContact O-CG2 3.38Å; K23-I123 HydrophobicContact CG-CD1 3.96Å; K23-D124 WeakPolarHBondContact CE-OD2 3.36Å; K23-D124 IonicContact NZ-OD1 3.56Å; K23-D124 IonicContact NZ-OD2 3.72Å; K23-D124 PolarHBondContact NZ-OD2 3.37Å |
| 24 | V | 95.6 | Very high | 91.5 | Very high | 82 Ų | 82 | 54.7 Ų | 54.7 | 50% | 0.497 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.2 | -42.3 | 176.2 | 172 | 0 | 0 | 0 | 0 | 111.2 | V20 Q21 V26 A27 V28 | V20-V24 HydrophobicContact CG1-CG2 4.34Å; V20-V24 WeakPolarHBondContact O-CG2 3.4Å; V20-V24 PolarHBondContact O-N 3.2Å; Q21-V24 PolarHBondContact O-N 3.34Å; V24-V26 PolarHBondContact O-N 3.16Å; V24-A27 PolarHBondContact O-N 3.18Å; V24-V28 HydrophobicContact CG1-CG2 4.3Å; V24-V28 WeakPolarHBondContact O-CG2 3.43Å; V24-V28 PolarHBondContact O-N 2.88Å |
| 25 | T | 95.3 | Very high | 92.1 | Very high | 52 Ų | 52 | 56.6 Ų | 56.6 | 32% | 0.319 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -59.6 | -48.2 | 178.7 | -58 | 0 | 0 | 0 | 0 | 111.3 | Q21 A22 K23 A27 V28 V29 I154 | Q21-T25 WeakPolarHBondContact O-CB 3.26Å; Q21-T25 PolarHBondContact O-N 3.12Å; Q21-T25 PolarHBondContact O-OG1 3.35Å; A22-T25 PolarHBondContact O-N 2.91Å; K23-T25 VanDerWaalsContact C-N 3.33Å; K23-T25 PolarHBondContact O-N 3.39Å; T25-A27 PolarHBondContact O-N 3.42Å; T25-V28 PolarHBondContact O-N 2.88Å; T25-V29 WeakPolarHBondContact O-CG2 3.37Å; T25-V29 PolarHBondContact O-N 2.94Å; T25-I154 HydrophobicContact CG2-CD1 4.45Å |
| 26 | V | 96.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.4 | -41 | 178.4 | 173.3 | 0 | 0 | 0 | 0 | 111.7 | A22 K23 V24 V28 V29 A30 S119 I123 L150 A153 I154 A157 | A22-V26 PolarHBondContact O-N 3.29Å; K23-V26 PolarHBondContact O-N 3.08Å; V24-V26 PolarHBondContact O-N 3.16Å; V26-V28 PolarHBondContact O-N 3.5Å; V26-V29 PolarHBondContact O-N 3.43Å; V26-A30 WeakPolarHBondContact O-CB 3.21Å; V26-A30 PolarHBondContact O-N 3.19Å; V26-S119 WeakPolarHBondContact CG1-O 3.22Å; V26-I123 HydrophobicContact CB-CD1 4.16Å; V26-I123 HydrophobicContact CG2-CD1 3.7Å; V26-I123 HydrophobicContact CG2-CG1 4.13Å; V26-L150 HydrophobicContact CG2-CD1 3.76Å; V26-A153 HydrophobicContact CG1-CB 4.35Å; V26-A153 HydrophobicContact CG2-CB 4Å; V26-I154 HydrophobicContact CG2-CG1 3.87Å; V26-A157 HydrophobicContact CG1-CB 4.02Å |
| 27 | A | 97.8 | Very high | 93.4 | Very high | 24 Ų | 24 | 47.8 Ų | 47.8 | 20% | 0.198 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.4 | -45.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | K23 V24 T25 A30 L31 V120 | K23-A27 WeakPolarHBondContact O-CB 3.49Å; K23-A27 PolarHBondContact O-N 3.46Å; V24-A27 PolarHBondContact O-N 3.18Å; T25-A27 PolarHBondContact O-N 3.42Å; A27-A30 PolarHBondContact O-N 2.91Å; A27-L31 VanDerWaalsContact O-CG 3.27Å; A27-L31 WeakPolarHBondContact O-CG 3.45Å; A27-L31 PolarHBondContact O-N 2.92Å; A27-V120 HydrophobicContact CB-CG2 3.79Å |
| 28 | V | 97.8 | Very high | 94 | Very high | 72 Ų | 72 | 50.6 Ų | 50.6 | 44% | 0.436 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63 | -43.4 | 178.1 | 170.8 | 0 | 0 | 0 | 0 | 111.2 | V24 T25 V26 A30 L31 L32 | V24-V28 HydrophobicContact CG1-CG2 4.3Å; V24-V28 WeakPolarHBondContact O-CG2 3.43Å; V24-V28 PolarHBondContact O-N 2.88Å; T25-V28 PolarHBondContact O-N 2.88Å; V26-V28 PolarHBondContact O-N 3.5Å; V28-A30 PolarHBondContact O-N 2.9Å; V28-L31 PolarHBondContact O-N 3.31Å; V28-L32 HydrophobicContact CG1-CD1 3.86Å; V28-L32 HydrophobicContact CG1-CG 4.25Å; V28-L32 WeakPolarHBondContact O-CB 3.42Å; V28-L32 VanDerWaalsContact O-CG 3.29Å; V28-L32 WeakPolarHBondContact O-CG 3.48Å; V28-L32 PolarHBondContact O-N 3.25Å |
| 29 | V | 97.7 | Very high | 94.7 | Very high | 23 Ų | 23 | 51.5 Ų | 51.5 | 14% | 0.139 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.4 | -46.8 | 176.1 | 171.6 | 0 | 0 | 0 | 0 | 111.1 | T25 V26 L31 L32 C33 I154 A157 A158 | T25-V29 WeakPolarHBondContact O-CG2 3.37Å; T25-V29 PolarHBondContact O-N 2.94Å; V26-V29 PolarHBondContact O-N 3.43Å; V29-L31 VanDerWaalsContact C-N 3.33Å; V29-L31 PolarHBondContact O-N 2.89Å; V29-L32 PolarHBondContact O-N 2.86Å; V29-C33 PolarHBondContact O-N 3.3Å; V29-C33 VanDerWaalsContact O-N 3.09Å; V29-C33 PolarHBondContact O-SG 3.49Å; V29-I154 HydrophobicContact CG1-CG2 4.5Å; V29-A157 HydrophobicContact CG1-CB 4.21Å; V29-A158 HydrophobicContact CG1-CB 3.97Å |
| 30 | A | 97.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.5 | -44.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | V26 A27 V28 C33 F34 A116 A157 | V26-A30 WeakPolarHBondContact O-CB 3.21Å; V26-A30 PolarHBondContact O-N 3.19Å; A27-A30 PolarHBondContact O-N 2.91Å; V28-A30 PolarHBondContact O-N 2.9Å; A30-C33 PolarHBondContact O-N 2.96Å; A30-F34 VanDerWaalsContact O-CD2 3.32Å; A30-F34 WeakPolarHBondContact O-CD2 3.29Å; A30-A116 HydrophobicContact CB-CB 4.05Å; A30-A157 HydrophobicContact CB-CB 4.05Å |
| 31 | L | 97.1 | Very high | 95.8 | Very high | 68 Ų | 68 | 49.5 Ų | 49.5 | 36% | 0.356 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.6 | -49.1 | 176.9 | -68.7 | 173.4 | 0 | 0 | 0 | 111.5 | A27 V28 V29 C33 F34 I35 I112 A116 | A27-L31 VanDerWaalsContact O-CG 3.27Å; A27-L31 WeakPolarHBondContact O-CG 3.45Å; A27-L31 PolarHBondContact O-N 2.92Å; V28-L31 PolarHBondContact O-N 3.31Å; V29-L31 VanDerWaalsContact C-N 3.33Å; V29-L31 PolarHBondContact O-N 2.89Å; L31-C33 PolarHBondContact O-N 3.04Å; L31-F34 PolarHBondContact O-N 3.37Å; L31-I35 VanDerWaalsContact O-CB 3.24Å; L31-I35 WeakPolarHBondContact O-CB 3.35Å; L31-I35 PolarHBondContact O-N 3.44Å; L31-I112 HydrophobicContact CD2-CG2 3.64Å; L31-A116 HydrophobicContact CD2-CB 4.38Å |
| 32 | L | 96.2 | Very high | 96.1 | Very high | 104 Ų | 104 | 45.5 Ų | 45.5 | 55% | 0.545 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -58.4 | -33.1 | -179.9 | -72.8 | 172.3 | 0 | 0 | 0 | 113 | V28 V29 | V28-L32 HydrophobicContact CG1-CD1 3.86Å; V28-L32 HydrophobicContact CG1-CG 4.25Å; V28-L32 WeakPolarHBondContact O-CB 3.42Å; V28-L32 VanDerWaalsContact O-CG 3.29Å; V28-L32 WeakPolarHBondContact O-CG 3.48Å; V28-L32 PolarHBondContact O-N 3.25Å; V29-L32 PolarHBondContact O-N 2.86Å |
| 33 | C | 97.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67.8 | -35.6 | 179.7 | -71.2 | 0 | 0 | 0 | 0 | 113.5 | V29 A30 L31 C457 A458 | V29-C33 PolarHBondContact O-N 3.3Å; V29-C33 VanDerWaalsContact O-N 3.09Å; V29-C33 PolarHBondContact O-SG 3.49Å; A30-C33 PolarHBondContact O-N 2.96Å; L31-C33 PolarHBondContact O-N 3.04Å; C33-C457 HydrophobicContact CB-CB 3.64Å; C33-C457 CarbonylContact O-C 3.56Å; C33-C457 WeakPolarHBondContact O-CB 3.24Å; C33-A458 WeakPolarHBondContact O-CA 3.42Å; C33-A458 PolarHBondContact O-N 2.87Å |
| 34 | F | 97.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -123 | -4.9 | -166.9 | -58.7 | -72.2 | 0 | 0 | 0 | 114.3 | A30 L31 N36 S37 I112 H115 H162 T163 V166 C457 S461 | A30-F34 VanDerWaalsContact O-CD2 3.32Å; A30-F34 WeakPolarHBondContact O-CD2 3.29Å; L31-F34 PolarHBondContact O-N 3.37Å; F34-N36 PolarHBondContact O-N 3.23Å; F34-S37 PolarHBondContact O-N 3.07Å; F34-S37 VanDerWaalsContact O-N 3.09Å; F34-S37 PolarHBondContact O-OG 2.89Å; F34-I112 HydrophobicContact CB-CG1 4.15Å; F34-I112 WeakPolarHBondContact O-CD1 3.45Å; F34-H115 AromaticContact CD2-CD2 3.59Å; F34-H115 AromaticContact CE2-CD2 3.51Å; F34-H115 AromaticContact CE2-NE2 3.45Å; F34-H115 WeakPolarHBondContact CE2-NE2 3.34Å; F34-H162 HydrophobicContact CZ-CB 3.95Å; F34-T163 HydrophobicContact CE1-CG2 4.34Å; F34-V166 HydrophobicContact CB-CG1 3.66Å; F34-V166 HydrophobicContact CD1-CB 3.85Å; F34-V166 HydrophobicContact CD1-CG1 3.88Å; F34-V166 HydrophobicContact CD1-CG2 4.4Å; F34-V166 HydrophobicContact CD2-CB 4.4Å; F34-V166 HydrophobicContact CD2-CG1 3.98Å; F34-V166 HydrophobicContact CD2-CG2 4.34Å; F34-V166 HydrophobicContact CE1-CB 4.19Å; F34-V166 HydrophobicContact CE1-CG2 4.37Å; F34-V166 HydrophobicContact CE2-CG2 4.28Å; F34-V166 HydrophobicContact CG-CB 4.01Å; F34-V166 HydrophobicContact CG-CG1 3.55Å; F34-V166 HydrophobicContact CG-CG2 4.44Å; F34-V166 HydrophobicContact CZ-CG2 4.32Å; F34-C457 HydrophobicContact CE1-CB 4.05Å; F34-C457 HydrophobicContact CZ-CB 4.13Å; F34-S461 WeakPolarHBondContact CD1-OG 3.45Å |
| 35 | I | 95.7 | Very high | 96.1 | Very high | 75 Ų | 75 | 41 Ų | 41 | 39% | 0.385 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -56.8 | -30.6 | -178 | -166.2 | 63.3 | 0 | 0 | 0 | 112.4 | L31 S37 Y38 | L31-I35 VanDerWaalsContact O-CB 3.24Å; L31-I35 WeakPolarHBondContact O-CB 3.35Å; L31-I35 PolarHBondContact O-N 3.44Å; I35-S37 PolarHBondContact O-N 3.27Å; I35-S37 VanDerWaalsContact O-N 3.09Å; I35-Y38 WeakPolarHBondContact O-CB 3.38Å; I35-Y38 WeakPolarHBondContact O-CD1 3.49Å; I35-Y38 PolarHBondContact O-N 3.45Å; I35-Y38 VanDerWaalsContact O-N 3.13Å |
| 36 | N | 93.9 | Very high | 96.2 | Very high | 75 Ų | 75 | 38.6 Ų | 38.6 | 40% | 0.401 | 20% | 0.199 | S | C | . | . | G | 310 helix | trans | -65.9 | -10.5 | -179.1 | -71.4 | -6.6 | 0 | 0 | 0 | 114.8 | F34 R465 | F34-N36 PolarHBondContact O-N 3.23Å; N36-R465 VanDerWaalsContact O-CD 3.24Å; N36-R465 WeakPolarHBondContact O-CD 3.5Å |
| 37 | S | 95.4 | Very high | 96 | Very high | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.014 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -101.9 | 7.6 | 175.3 | 62.2 | 0 | 0 | 0 | 0 | 113.9 | F34 I35 D39 G40 | F34-S37 PolarHBondContact O-N 3.07Å; F34-S37 VanDerWaalsContact O-N 3.09Å; F34-S37 PolarHBondContact O-OG 2.89Å; I35-S37 PolarHBondContact O-N 3.27Å; I35-S37 VanDerWaalsContact O-N 3.09Å; S37-D39 PolarHBondContact O-N 3.28Å; S37-G40 PolarHBondContact O-N 3.34Å |
| 38 | Y | 96.6 | Very high | 95.8 | Very high | 106 Ų | 106 | 43.9 Ų | 43.9 | 42% | 0.416 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -27.5 | -175.7 | 84.1 | -72.7 | 0 | 0 | 0 | 114.3 | I35 V105 | I35-Y38 WeakPolarHBondContact O-CB 3.38Å; I35-Y38 WeakPolarHBondContact O-CD1 3.49Å; I35-Y38 PolarHBondContact O-N 3.45Å; I35-Y38 VanDerWaalsContact O-N 3.13Å; Y38-V105 HydrophobicContact CD2-CG1 4.27Å; Y38-V105 WeakPolarHBondContact O-CA 3.05Å |
| 39 | D | 95.8 | Very high | 95.7 | Very high | 57 Ų | 57 | 40.4 Ų | 40.4 | 31% | 0.305 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.1 | 20.9 | -177 | 69.8 | -14.1 | 0 | 0 | 0 | 113 | S37 R465 | S37-D39 PolarHBondContact O-N 3.28Å; D39-R465 IonicContact OD1-CZ 3.67Å; D39-R465 VanDerWaalsContact OD1-CZ 3.29Å; D39-R465 IonicContact OD1-NE 3.23Å; D39-R465 PolarHBondContact OD1-NE 2.91Å; D39-R465 IonicContact OD1-NH2 3.01Å; D39-R465 PolarHBondContact OD1-NH2 2.86Å; D39-R465 IonicContact OD2-CZ 3.77Å; D39-R465 IonicContact OD2-NH2 3.34Å; D39-R465 PolarHBondContact OD2-NH2 3.4Å |
| 40 | G | 95.9 | Very high | 95.6 | Very high | 3 Ų | 3 | 39.4 Ų | 39.4 | 3% | 0.031 | 20% | 0.196 | C | C | . | . | trans | -63.8 | 159.6 | 175 | 0 | 0 | 0 | 0 | 0 | 113.5 | S37 P104 H108 R465 | S37-G40 PolarHBondContact O-N 3.34Å; G40-P104 WeakPolarHBondContact O-CB 3.49Å; G40-H108 PolarHBondContact O-CD2 3.5Å; G40-H108 PolarHBondContact O-NE2 2.99Å; G40-R465 WeakPolarHBondContact CA-O 3.31Å | ||
| 41 | E | 96.9 | Very high | 95.5 | Very high | 118 Ų | 118 | 41.8 Ų | 41.8 | 55% | 0.551 | 21% | 0.21 | S | C | * | . | trans | -81.4 | 167.7 | 169.9 | -62.5 | 177.6 | 159.2 | 0 | 0 | 110.8 | V43 H108 R465 | E41-V43 HydrophobicContact CB-CG1 4.29Å; E41-V43 PolarHBondContact O-N 3.01Å; E41-H108 PolarHBondContact O-NE2 2.86Å; E41-R465 PolarHBondContact N-O 3.07Å | ||
| 42 | F | 96.7 | Very high | 95.4 | Very high | 27 Ų | 27 | 42.9 Ų | 42.9 | 12% | 0.118 | 22% | 0.216 | C | C | . | . | trans | -70.5 | 115.5 | 164.3 | -64 | -58.9 | 0 | 0 | 0 | 108.7 | D46 I50 V51 L102 P104 F107 V169 | F42-D46 HydrophobicContact CB-CB 3.85Å; F42-D46 HydrophobicContact CD1-CB 4.09Å; F42-D46 HydrophobicContact CG-CB 4.43Å; F42-I50 HydrophobicContact CD1-CD1 4.02Å; F42-I50 HydrophobicContact CD1-CG2 4.4Å; F42-I50 HydrophobicContact CE1-CD1 3.98Å; F42-I50 HydrophobicContact CE1-CG2 3.92Å; F42-I50 HydrophobicContact CZ-CG2 4.1Å; F42-V51 HydrophobicContact CB-CG2 3.87Å; F42-V51 HydrophobicContact CD2-CG2 3.58Å; F42-V51 HydrophobicContact CE2-CG2 4.34Å; F42-V51 HydrophobicContact CG-CG2 3.85Å; F42-L102 HydrophobicContact CE2-CB 4.05Å; F42-L102 HydrophobicContact CE2-CD2 4.38Å; F42-L102 HydrophobicContact CZ-CD2 4.46Å; F42-P104 HydrophobicContact CD2-CG 3.85Å; F42-P104 HydrophobicContact CE1-CB 4.33Å; F42-P104 HydrophobicContact CE2-CB 4.26Å; F42-P104 HydrophobicContact CE2-CG 3.63Å; F42-P104 HydrophobicContact CG-CG 4.4Å; F42-P104 HydrophobicContact CZ-CB 4.15Å; F42-P104 HydrophobicContact CZ-CG 4.01Å; F42-F107 HydrophobicContact CE1-CB 4.41Å; F42-F107 HydrophobicContact CE1-CD2 4.21Å; F42-F107 HydrophobicContact CE1-CG 4.19Å; F42-F107 AromaticContact CZ-CD2 3.99Å; F42-F107 HydrophobicContact CZ-CD2 3.99Å; F42-F107 HydrophobicContact CZ-CE2 4.15Å; F42-F107 HydrophobicContact CZ-CG 4.43Å; F42-V169 HydrophobicContact CD1-CG2 4.19Å; F42-V169 HydrophobicContact CE1-CG2 4.25Å | ||
| 43 | V | 94.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.191 | C | C | . | . | trans | -121.3 | 147.9 | -174.5 | -60.2 | 0 | 0 | 0 | 0 | 111.9 | E41 D45 D46 W464 E467 L470 | E41-V43 HydrophobicContact CB-CG1 4.29Å; E41-V43 PolarHBondContact O-N 3.01Å; V43-D45 PolarHBondContact O-N 3.29Å; V43-D45 VanDerWaalsContact O-N 3.17Å; V43-D46 PolarHBondContact N-OD2 3.44Å; V43-D46 VanDerWaalsContact O-CB 3.32Å; V43-D46 WeakPolarHBondContact O-CB 3.35Å; V43-D46 PolarHBondContact O-N 2.88Å; V43-W464 HydrophobicContact CG2-CE3 3.79Å; V43-W464 HydrophobicContact CG2-CZ3 4.28Å; V43-W464 WeakPolarHBondContact CG2-O 3.38Å; V43-E467 HydrophobicContact CB-CG 3.85Å; V43-E467 HydrophobicContact CG1-CG 3.93Å; V43-E467 VanDerWaalsContact CG1-N 3.33Å; V43-L470 HydrophobicContact CB-CD2 4.42Å; V43-L470 HydrophobicContact CG2-CD2 4.08Å | ||
| 44 | F | 92.8 | Very high | 95.2 | Very high | 26 Ų | 26 | 44.9 Ų | 44.9 | 11% | 0.114 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.3 | -118.5 | 171.4 | -172 | -121.6 | 0 | 0 | 0 | 112.2 | D46 S47 F336 D337 E467 L470 F471 | F44-D46 PolarHBondContact O-N 3.29Å; F44-S47 WeakPolarHBondContact O-CB 3.28Å; F44-S47 PolarHBondContact O-N 3.38Å; F44-F336 HydrophobicContact CD1-CD2 4.01Å; F44-F336 AromaticContact CD2-CD2 3.8Å; F44-F336 HydrophobicContact CD2-CD2 3.8Å; F44-F336 AromaticContact CD2-CE2 3.78Å; F44-F336 HydrophobicContact CD2-CE2 3.78Å; F44-F336 AromaticContact CE1-CD2 3.76Å; F44-F336 HydrophobicContact CE1-CD2 3.76Å; F44-F336 HydrophobicContact CE1-CE2 4.42Å; F44-F336 AromaticContact CE2-CD2 3.54Å; F44-F336 HydrophobicContact CE2-CD2 3.54Å; F44-F336 AromaticContact CE2-CE2 3.37Å; F44-F336 HydrophobicContact CE2-CE2 3.37Å; F44-F336 HydrophobicContact CG-CD2 4.03Å; F44-F336 HydrophobicContact CG-CE2 4.46Å; F44-F336 AromaticContact CZ-CD2 3.51Å; F44-F336 HydrophobicContact CZ-CD2 3.51Å; F44-F336 AromaticContact CZ-CE2 3.74Å; F44-F336 HydrophobicContact CZ-CE2 3.74Å; F44-D337 HydrophobicContact CZ-CB 4.39Å; F44-E467 PolarHBondContact N-OE1 2.91Å; F44-L470 HydrophobicContact CB-CD2 3.96Å; F44-F471 HydrophobicContact CB-CE1 4.17Å; F44-F471 HydrophobicContact CB-CZ 4.31Å; F44-F471 AromaticContact CD2-CE1 3.7Å; F44-F471 HydrophobicContact CD2-CE1 3.7Å; F44-F471 AromaticContact CD2-CZ 3.99Å; F44-F471 HydrophobicContact CD2-CZ 3.99Å; F44-F471 HydrophobicContact CG-CE1 4.25Å |
| 45 | D | 93.3 | Very high | 95.1 | Very high | 30 Ų | 30 | 45 Ų | 45 | 16% | 0.16 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.6 | -20.5 | -178.9 | -79.7 | -8.2 | 0 | 0 | 0 | 112.9 | V43 S47 E48 A49 W71 V170 R411 | V43-D45 PolarHBondContact O-N 3.29Å; V43-D45 VanDerWaalsContact O-N 3.17Å; D45-S47 VanDerWaalsContact C-N 3.26Å; D45-S47 PolarHBondContact O-N 2.71Å; D45-E48 PolarHBondContact O-N 2.84Å; D45-A49 WeakPolarHBondContact O-CB 3.38Å; D45-A49 PolarHBondContact O-N 2.99Å; D45-W71 HydrophobicContact CB-CH2 4Å; D45-W71 HydrophobicContact CB-CZ3 4.09Å; D45-V170 HydrophobicContact CB-CG1 4.14Å; D45-V170 HydrophobicContact CB-CG2 3.82Å; D45-R411 IonicContact OD2-NH1 3.97Å; D45-R411 PolarHBondContact OD2-NH1 3.48Å |
| 46 | D | 96.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.7 | -33 | 177.8 | -64.6 | -21.5 | 0 | 0 | 0 | 111.9 | F42 V43 F44 E48 I50 V51 V169 V170 | F42-D46 HydrophobicContact CB-CB 3.85Å; F42-D46 HydrophobicContact CD1-CB 4.09Å; F42-D46 HydrophobicContact CG-CB 4.43Å; V43-D46 PolarHBondContact N-OD2 3.44Å; V43-D46 VanDerWaalsContact O-CB 3.32Å; V43-D46 WeakPolarHBondContact O-CB 3.35Å; V43-D46 PolarHBondContact O-N 2.88Å; F44-D46 PolarHBondContact O-N 3.29Å; D46-E48 VanDerWaalsContact C-N 3.31Å; D46-E48 PolarHBondContact O-N 3.47Å; D46-I50 HydrophobicContact CB-CD1 4.11Å; D46-I50 WeakPolarHBondContact O-CA 3.01Å; D46-I50 VanDerWaalsContact O-CB 3.23Å; D46-I50 WeakPolarHBondContact O-CB 3.29Å; D46-I50 PolarHBondContact O-N 3.28Å; D46-V51 PolarHBondContact O-N 2.68Å; D46-V169 WeakPolarHBondContact OD1-CA 3.28Å; D46-V169 WeakPolarHBondContact OD1-CB 3.24Å; D46-V169 PolarHBondContact OD1-N 3.33Å; D46-V169 VanDerWaalsContact OD1-N 3.11Å; D46-V169 PolarHBondContact OD2-N 3.4Å; D46-V170 WeakPolarHBondContact OD1-CG1 3.32Å; D46-V170 PolarHBondContact OD1-N 3.07Å |
| 47 | S | 93.1 | Very high | 95 | Very high | 33 Ų | 33 | 42.4 Ų | 42.4 | 23% | 0.231 | 20% | 0.204 | C | C | . | . | I | π-helix | trans | -58.4 | -43.3 | 177.6 | -66.3 | 0 | 0 | 0 | 0 | 111.6 | F44 D45 V51 N52 | F44-S47 WeakPolarHBondContact O-CB 3.28Å; F44-S47 PolarHBondContact O-N 3.38Å; D45-S47 VanDerWaalsContact C-N 3.26Å; D45-S47 PolarHBondContact O-N 2.71Å; S47-V51 WeakPolarHBondContact O-CB 3.5Å; S47-V51 PolarHBondContact O-N 3.12Å; S47-N52 WeakPolarHBondContact O-CB 3.33Å; S47-N52 PolarHBondContact O-N 3.45Å |
| 48 | E | 92.9 | Very high | 94.7 | Very high | 102 Ų | 102 | 45.7 Ų | 45.7 | 48% | 0.477 | 23% | 0.225 | S | C | . | . | I | π-helix | trans | -82.4 | -47 | 179.8 | -67.9 | -54.2 | 124.9 | 0 | 0 | 112.3 | D45 D46 I50 N52 N53 W71 | D45-E48 PolarHBondContact O-N 2.84Å; D46-E48 VanDerWaalsContact C-N 3.31Å; D46-E48 PolarHBondContact O-N 3.47Å; E48-I50 VanDerWaalsContact C-N 3.29Å; E48-I50 PolarHBondContact O-N 3.5Å; E48-N52 PolarHBondContact OE1-ND2 2.88Å; E48-N53 PolarHBondContact O-N 2.9Å; E48-W71 HydrophobicContact CB-CE3 3.81Å; E48-W71 HydrophobicContact CB-CZ3 4.07Å |
| 49 | A | 95.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | I | π-helix | trans | -72.3 | -21.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | D45 N53 F70 W71 V170 | D45-A49 WeakPolarHBondContact O-CB 3.38Å; D45-A49 PolarHBondContact O-N 2.99Å; A49-N53 WeakPolarHBondContact O-CB 3.37Å; A49-N53 PolarHBondContact O-ND2 2.86Å; A49-F70 HydrophobicContact CB-CD1 4.26Å; A49-F70 HydrophobicContact CB-CE1 3.66Å; A49-F70 HydrophobicContact CB-CZ 4.07Å; A49-W71 HydrophobicContact CB-CE3 3.76Å; A49-W71 HydrophobicContact CB-CZ3 3.79Å; A49-V170 HydrophobicContact CB-CG1 3.32Å |
| 50 | I | 96.3 | Very high | 94.4 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | I | π-helix | trans | -123.6 | -61.2 | -172.7 | -49.9 | 176.8 | 0 | 0 | 0 | 110.8 | F42 D46 E48 N53 L56 L102 F107 V169 | F42-I50 HydrophobicContact CD1-CD1 4.02Å; F42-I50 HydrophobicContact CD1-CG2 4.4Å; F42-I50 HydrophobicContact CE1-CD1 3.98Å; F42-I50 HydrophobicContact CE1-CG2 3.92Å; F42-I50 HydrophobicContact CZ-CG2 4.1Å; D46-I50 HydrophobicContact CB-CD1 4.11Å; D46-I50 WeakPolarHBondContact O-CA 3.01Å; D46-I50 VanDerWaalsContact O-CB 3.23Å; D46-I50 WeakPolarHBondContact O-CB 3.29Å; D46-I50 PolarHBondContact O-N 3.28Å; E48-I50 VanDerWaalsContact C-N 3.29Å; E48-I50 PolarHBondContact O-N 3.5Å; I50-N53 PolarHBondContact O-N 3Å; I50-L56 HydrophobicContact CB-CD2 4.19Å; I50-L56 HydrophobicContact CG2-CD2 3.54Å; I50-L102 HydrophobicContact CG2-CD2 3.8Å; I50-F107 HydrophobicContact CG2-CE1 4.14Å; I50-F107 HydrophobicContact CG2-CZ 4.37Å; I50-V169 HydrophobicContact CD1-CB 3.48Å; I50-V169 VanDerWaalsContact CD1-CB 3.48Å; I50-V169 HydrophobicContact CD1-CG1 3.21Å; I50-V169 HydrophobicContact CD1-CG2 4.37Å |
| 51 | V | 96 | Very high | 94.4 | Very high | 51 Ų | 51 | 48.3 Ų | 48.3 | 31% | 0.309 | 26% | 0.255 | S | S | . | . | I | π-helix | trans | -67.7 | -47.2 | -171.4 | -178.7 | 0 | 0 | 0 | 0 | 111.3 | F42 D46 S47 L102 | F42-V51 HydrophobicContact CB-CG2 3.87Å; F42-V51 HydrophobicContact CD2-CG2 3.58Å; F42-V51 HydrophobicContact CE2-CG2 4.34Å; F42-V51 HydrophobicContact CG-CG2 3.85Å; D46-V51 PolarHBondContact O-N 2.68Å; S47-V51 WeakPolarHBondContact O-CB 3.5Å; S47-V51 PolarHBondContact O-N 3.12Å; V51-L102 HydrophobicContact CB-CD1 4.45Å; V51-L102 HydrophobicContact CG1-CD1 4.18Å |
| 52 | N | 94.9 | Very high | 94.3 | Very high | 90 Ų | 90 | 47 Ų | 47 | 48% | 0.481 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -87.1 | -10.7 | -179 | -67.2 | -27.2 | 0 | 0 | 0 | 113.3 | S47 E48 K54 | S47-N52 WeakPolarHBondContact O-CB 3.33Å; S47-N52 PolarHBondContact O-N 3.45Å; E48-N52 PolarHBondContact OE1-ND2 2.88Å; N52-K54 PolarHBondContact O-N 3.1Å |
| 53 | N | 95.6 | Very high | 94.2 | Very high | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | trans | -74.2 | 113.9 | -178.7 | -171.1 | -17.4 | 0 | 0 | 0 | 111.8 | E48 A49 I50 D55 L56 F70 G72 | E48-N53 PolarHBondContact O-N 2.9Å; A49-N53 WeakPolarHBondContact O-CB 3.37Å; A49-N53 PolarHBondContact O-ND2 2.86Å; I50-N53 PolarHBondContact O-N 3Å; N53-D55 VanDerWaalsContact C-N 3.26Å; N53-D55 PolarHBondContact O-N 3.4Å; N53-D55 WeakPolarHBondContact OD1-CB 3.49Å; N53-D55 PolarHBondContact OD1-N 2.59Å; N53-L56 HydrophobicContact CB-CD1 3.97Å; N53-F70 PolarHBondContact ND2-O 3.5Å; N53-G72 WeakPolarHBondContact OD1-CA 3.19Å | ||
| 54 | K | 94.3 | Very high | 94.2 | Very high | 145 Ų | 145 | 50.9 Ų | 50.9 | 63% | 0.63 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -70.7 | -21.9 | -177.6 | -62.2 | 178.1 | -174.3 | 172.7 | 0 | 113 | N52 L56 K57 T60 | N52-K54 PolarHBondContact O-N 3.1Å; K54-L56 PolarHBondContact O-N 3.22Å; K54-K57 WeakPolarHBondContact O-CB 3.31Å; K54-K57 PolarHBondContact O-N 3.13Å; K54-K57 VanDerWaalsContact O-N 3.14Å; K54-T60 VanDerWaalsContact O-CB 3.31Å; K54-T60 WeakPolarHBondContact O-CB 3.47Å; K54-T60 PolarHBondContact O-OG1 2.88Å |
| 55 | D | 95.6 | Very high | 94.3 | Very high | 3 Ų | 3 | 49.8 Ų | 49.8 | 2% | 0.016 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -70.5 | -18.6 | -176 | -70.1 | -26.4 | 0 | 0 | 0 | 113.2 | N53 K57 I65 N68 G72 V89 R93 | N53-D55 VanDerWaalsContact C-N 3.26Å; N53-D55 PolarHBondContact O-N 3.4Å; N53-D55 WeakPolarHBondContact OD1-CB 3.49Å; N53-D55 PolarHBondContact OD1-N 2.59Å; D55-K57 VanDerWaalsContact C-N 3.3Å; D55-I65 HydrophobicContact CB-CG1 4.26Å; D55-N68 VanDerWaalsContact CG-ND2 3.27Å; D55-N68 PolarHBondContact OD1-ND2 3.33Å; D55-N68 VanDerWaalsContact OD2-CB 3.24Å; D55-N68 WeakPolarHBondContact OD2-CB 3.27Å; D55-N68 PolarHBondContact OD2-ND2 2.73Å; D55-G72 WeakPolarHBondContact OD2-CA 3.13Å; D55-V89 HydrophobicContact CB-CG1 4.14Å; D55-R93 WeakPolarHBondContact O-CD 3.38Å; D55-R93 PolarHBondContact O-NH1 3Å |
| 56 | L | 95.1 | Very high | 94.4 | Very high | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.01 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -75.3 | -20.9 | 174.9 | -80.4 | 61.5 | 0 | 0 | 0 | 112.2 | I50 N53 K54 V89 F92 | I50-L56 HydrophobicContact CB-CD2 4.19Å; I50-L56 HydrophobicContact CG2-CD2 3.54Å; N53-L56 HydrophobicContact CB-CD1 3.97Å; K54-L56 PolarHBondContact O-N 3.22Å; L56-V89 HydrophobicContact CD1-CG1 4.02Å; L56-F92 HydrophobicContact CD1-CB 4.16Å; L56-F92 HydrophobicContact CD2-CB 3.83Å; L56-F92 HydrophobicContact CG-CB 3.95Å |
| 57 | K | 92.6 | Very high | 94.3 | Very high | 94 Ų | 94 | 61.9 Ų | 61.9 | 41% | 0.409 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -76.5 | 140.1 | -175.2 | -57.9 | -174 | -179.1 | -175.9 | 0 | 111 | K54 D55 V59 T60 | K54-K57 WeakPolarHBondContact O-CB 3.31Å; K54-K57 PolarHBondContact O-N 3.13Å; K54-K57 VanDerWaalsContact O-N 3.14Å; D55-K57 VanDerWaalsContact C-N 3.3Å; K57-V59 HydrophobicContact CB-CG2 3.89Å; K57-V59 PolarHBondContact O-N 3.32Å; K57-T60 PolarHBondContact O-N 3.43Å |
| 58 | P | 89.3 | Confident | 94.3 | Very high | 71 Ų | 71 | 61.1 Ų | 61.1 | 46% | 0.461 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -31.2 | -179.1 | -22.4 | 32.3 | 0 | 0 | 0 | 113.3 | T60 Y96 L97 | P58-T60 PolarHBondContact O-N 2.87Å; P58-Y96 VanDerWaalsContact CD-CE1 3.48Å; P58-Y96 HydrophobicContact CG-CD1 4.42Å; P58-Y96 HydrophobicContact CG-CE1 3.79Å; P58-L97 HydrophobicContact CB-CD2 4.3Å; P58-L97 HydrophobicContact CG-CD2 3.85Å |
| 59 | V | 92.4 | Very high | 94.4 | Very high | 129 Ų | 129 | 56.3 Ų | 56.3 | 78% | 0.782 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -21.6 | 178.1 | -62.4 | 0 | 0 | 0 | 0 | 113.4 | K57 | K57-V59 HydrophobicContact CB-CG2 3.89Å; K57-V59 PolarHBondContact O-N 3.32Å |
| 60 | T | 93.4 | Very high | 94.3 | Very high | 19 Ų | 19 | 56.4 Ų | 56.4 | 12% | 0.117 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -87.1 | 129.1 | -179 | -53.3 | 0 | 0 | 0 | 0 | 109.4 | K54 K57 P58 N64 R93 | K54-T60 VanDerWaalsContact O-CB 3.31Å; K54-T60 WeakPolarHBondContact O-CB 3.47Å; K54-T60 PolarHBondContact O-OG1 2.88Å; K57-T60 PolarHBondContact O-N 3.43Å; P58-T60 PolarHBondContact O-N 2.87Å; T60-N64 HydrophobicContact CG2-CB 4.22Å; T60-N64 VanDerWaalsContact CG2-ND2 3.32Å; T60-N64 WeakPolarHBondContact CG2-ND2 3.34Å; T60-R93 PolarHBondContact O-NH1 3.27Å; T60-R93 PolarHBondContact O-NH2 3.33Å |
| 61 | P | 95.3 | Very high | 94.2 | Very high | 72 Ų | 72 | 59 Ų | 59 | 47% | 0.468 | 30% | 0.298 | S | S | . | . | trans | -56.3 | 139.9 | 179.8 | -26.9 | 35 | 0 | 0 | 0 | 113.2 | S63 N64 | P61-S63 PolarHBondContact O-N 3.47Å; P61-N64 WeakPolarHBondContact O-CB 3.35Å; P61-N64 PolarHBondContact O-N 2.83Å; P61-N64 VanDerWaalsContact O-N 3.14Å | ||
| 62 | L | 94.3 | Very high | 94.1 | Very high | 90 Ų | 90 | 57.5 Ų | 57.5 | 47% | 0.471 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -62.7 | -27.8 | -179.4 | -168.2 | 69.8 | 0 | 0 | 0 | 112.7 | N64 I65 L90 | L62-N64 PolarHBondContact O-N 3.34Å; L62-I65 HydrophobicContact CD1-CD1 3.69Å; L62-I65 PolarHBondContact O-N 3.34Å; L62-L90 HydrophobicContact CD1-CD1 3.84Å |
| 63 | S | 94.9 | Very high | 93.9 | Very high | 63 Ų | 63 | 55.2 Ų | 55.2 | 44% | 0.441 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -62.7 | -22.4 | 177.1 | 53.5 | 0 | 0 | 0 | 0 | 113.6 | P61 I65 W66 | P61-S63 PolarHBondContact O-N 3.47Å; S63-I65 VanDerWaalsContact C-N 3.26Å; S63-I65 PolarHBondContact O-N 2.96Å; S63-W66 PolarHBondContact O-N 2.96Å |
| 64 | N | 94.6 | Very high | 93.7 | Very high | 46 Ų | 46 | 59.1 Ų | 59.1 | 25% | 0.246 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -64.5 | -30.7 | 178.7 | -74.9 | 6.4 | 0 | 0 | 0 | 112.7 | T60 P61 L62 W66 R67 N68 | T60-N64 HydrophobicContact CG2-CB 4.22Å; T60-N64 VanDerWaalsContact CG2-ND2 3.32Å; T60-N64 WeakPolarHBondContact CG2-ND2 3.34Å; P61-N64 WeakPolarHBondContact O-CB 3.35Å; P61-N64 PolarHBondContact O-N 2.83Å; P61-N64 VanDerWaalsContact O-N 3.14Å; L62-N64 PolarHBondContact O-N 3.34Å; N64-W66 PolarHBondContact O-N 3.19Å; N64-W66 VanDerWaalsContact O-N 3.08Å; N64-R67 PolarHBondContact O-N 3.31Å; N64-N68 WeakPolarHBondContact O-CB 3.19Å; N64-N68 PolarHBondContact O-N 2.91Å |
| 65 | I | 95.4 | Very high | 93.5 | Very high | 4 Ų | 4 | 52.5 Ų | 52.5 | 2% | 0.021 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -56.3 | -30.5 | 177.6 | -64.1 | -180 | 0 | 0 | 0 | 111.4 | D55 L62 S63 P86 V89 L90 | D55-I65 HydrophobicContact CB-CG1 4.26Å; L62-I65 HydrophobicContact CD1-CD1 3.69Å; L62-I65 PolarHBondContact O-N 3.34Å; S63-I65 VanDerWaalsContact C-N 3.26Å; S63-I65 PolarHBondContact O-N 2.96Å; I65-P86 HydrophobicContact CG2-CB 3.7Å; I65-P86 WeakPolarHBondContact CG2-O 3.19Å; I65-P86 WeakPolarHBondContact O-CB 3.38Å; I65-V89 HydrophobicContact CD1-CG1 4.42Å; I65-V89 HydrophobicContact CG1-CG1 4.22Å; I65-V89 HydrophobicContact CG2-CB 4.2Å; I65-V89 HydrophobicContact CG2-CG1 4.35Å; I65-L90 HydrophobicContact CD1-CB 4.41Å; I65-L90 HydrophobicContact CD1-CD1 4.16Å |
| 66 | W | 95.2 | Very high | 93 | Very high | 117 Ų | 117 | 57.4 Ų | 57.4 | 44% | 0.443 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -85.6 | -9.1 | 179.3 | -58.8 | 97.7 | 0 | 0 | 0 | 114 | S63 N64 P86 L87 L219 | S63-W66 PolarHBondContact O-N 2.96Å; N64-W66 PolarHBondContact O-N 3.19Å; N64-W66 VanDerWaalsContact O-N 3.08Å; W66-P86 HydrophobicContact CD2-CB 4.33Å; W66-P86 HydrophobicContact CE3-CB 3.93Å; W66-P86 HydrophobicContact CE3-CG 3.93Å; W66-P86 HydrophobicContact CZ3-CB 4.09Å; W66-P86 HydrophobicContact CZ3-CG 3.81Å; W66-L87 HydrophobicContact CH2-CD2 4.33Å; W66-L219 HydrophobicContact CZ3-CD1 4.29Å; W66-L219 HydrophobicContact CZ3-CD2 4.4Å |
| 67 | R | 93.7 | Very high | 92.5 | Very high | 167 Ų | 167 | 59.5 Ų | 59.5 | 63% | 0.63 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.7 | -17.9 | -178.6 | -63.2 | -177.4 | 179.7 | -175.5 | -0.6 | 113 | N64 L75 | N64-R67 PolarHBondContact O-N 3.31Å; R67-L75 WeakPolarHBondContact O-CB 3.43Å; R67-L75 VanDerWaalsContact O-CG 3.28Å; R67-L75 WeakPolarHBondContact O-CG 3.39Å; R67-L75 PolarHBondContact O-N 2.88Å |
| 68 | N | 94.3 | Very high | 91.8 | Very high | 16 Ų | 16 | 62.9 Ų | 62.9 | 9% | 0.086 | 35% | 0.348 | C | S | . | . | B | Isolated β-bridge | trans | -100.1 | 159.2 | -179.1 | -66.4 | -10.5 | 0 | 0 | 0 | 111.3 | D55 N64 S73 N74 | D55-N68 VanDerWaalsContact CG-ND2 3.27Å; D55-N68 PolarHBondContact OD1-ND2 3.33Å; D55-N68 VanDerWaalsContact OD2-CB 3.24Å; D55-N68 WeakPolarHBondContact OD2-CB 3.27Å; D55-N68 PolarHBondContact OD2-ND2 2.73Å; N64-N68 WeakPolarHBondContact O-CB 3.19Å; N64-N68 PolarHBondContact O-N 2.91Å; N68-S73 CarbonylContact C-O 3.15Å; N68-S73 WeakPolarHBondContact CA-O 3.42Å; N68-S73 WeakPolarHBondContact CB-O 3.46Å; N68-N74 VanDerWaalsContact OD1-CA 3.32Å; N68-N74 WeakPolarHBondContact OD1-CA 3.27Å |
| 69 | D | 93.5 | Very high | 91 | Very high | 2 Ų | 2 | 63.5 Ų | 63.5 | 1% | 0.011 | 35% | 0.354 | C | S | . | . | trans | -78.2 | 177.4 | 168 | 67.8 | 19 | 0 | 0 | 0 | 111.5 | W71 G72 S73 L75 S80 H81 | D69-W71 PolarHBondContact O-N 3.4Å; D69-W71 WeakPolarHBondContact OD1-CA 3.47Å; D69-W71 PolarHBondContact OD1-N 2.9Å; D69-G72 PolarHBondContact O-N 2.95Å; D69-G72 PolarHBondContact OD1-N 3.34Å; D69-S73 PolarHBondContact N-O 3.28Å; D69-S73 PolarHBondContact OD1-N 3.45Å; D69-L75 HydrophobicContact CB-CD2 3.91Å; D69-S80 WeakPolarHBondContact OD2-CA 3.46Å; D69-S80 WeakPolarHBondContact OD2-CB 3.3Å; D69-S80 PolarHBondContact OD2-OG 3.07Å; D69-H81 PolarHBondContact OD2-N 3.42Å | ||
| 70 | F | 94.8 | Very high | 90.6 | Very high | 2 Ų | 2 | 57.9 Ų | 57.9 | 1% | 0.009 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -24.3 | -179.3 | 179.6 | -109.8 | 0 | 0 | 0 | 113.9 | A49 N53 S83 R85 T88 V89 F92 V170 | A49-F70 HydrophobicContact CB-CD1 4.26Å; A49-F70 HydrophobicContact CB-CE1 3.66Å; A49-F70 HydrophobicContact CB-CZ 4.07Å; N53-F70 PolarHBondContact ND2-O 3.5Å; F70-S83 VanDerWaalsContact CB-O 3.28Å; F70-S83 WeakPolarHBondContact CB-O 3.31Å; F70-S83 PolarHBondContact N-O 3.4Å; F70-R85 HydrophobicContact CB-CB 4.3Å; F70-R85 HydrophobicContact CD2-CB 3.85Å; F70-R85 HydrophobicContact CD2-CG 4.42Å; F70-R85 HydrophobicContact CG-CB 4.46Å; F70-T88 HydrophobicContact CE2-CG2 3.86Å; F70-V89 HydrophobicContact CD2-CG2 4.04Å; F70-F92 AromaticContact CE2-CE2 3.66Å; F70-F92 HydrophobicContact CE2-CE2 3.66Å; F70-F92 HydrophobicContact CE2-CZ 4.3Å; F70-F92 AromaticContact CZ-CE2 3.91Å; F70-F92 HydrophobicContact CZ-CE2 3.91Å; F70-F92 HydrophobicContact CZ-CZ 4.35Å; F70-V170 HydrophobicContact CE1-CB 4.22Å; F70-V170 HydrophobicContact CE1-CG1 3.94Å; F70-V170 HydrophobicContact CZ-CB 3.99Å; F70-V170 HydrophobicContact CZ-CG1 3.92Å |
| 71 | W | 94.1 | Very high | 90 | Very high | 55 Ų | 55 | 62.5 Ų | 62.5 | 21% | 0.208 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | -0.2 | -176.5 | -46.4 | 100.8 | 0 | 0 | 0 | 112.8 | D45 E48 A49 D69 H81 S83 | D45-W71 HydrophobicContact CB-CH2 4Å; D45-W71 HydrophobicContact CB-CZ3 4.09Å; E48-W71 HydrophobicContact CB-CE3 3.81Å; E48-W71 HydrophobicContact CB-CZ3 4.07Å; A49-W71 HydrophobicContact CB-CE3 3.76Å; A49-W71 HydrophobicContact CB-CZ3 3.79Å; D69-W71 PolarHBondContact O-N 3.4Å; D69-W71 WeakPolarHBondContact OD1-CA 3.47Å; D69-W71 PolarHBondContact OD1-N 2.9Å; W71-H81 AromaticContact CD1-CD2 3.69Å; W71-H81 AromaticContact CD1-CG 3.86Å; W71-H81 AromaticContact NE1-CD2 3.76Å; W71-H81 AromaticContact NE1-CG 3.64Å; W71-S83 VanDerWaalsContact CD1-OG 3.28Å; W71-S83 PolarHBondContact NE1-OG 3.34Å |
| 72 | G | 92.6 | Very high | 89.6 | Confident | 19 Ų | 19 | 60.7 Ų | 60.7 | 20% | 0.196 | 33% | 0.325 | C | S | . | . | S | Bend | trans | 85.7 | 14.8 | -180 | 0 | 0 | 0 | 0 | 0 | 114.4 | N53 D55 D69 | N53-G72 WeakPolarHBondContact OD1-CA 3.19Å; D55-G72 WeakPolarHBondContact OD2-CA 3.13Å; D69-G72 PolarHBondContact O-N 2.95Å; D69-G72 PolarHBondContact OD1-N 3.34Å |
| 73 | S | 91.3 | Very high | 89.3 | Confident | 43 Ų | 43 | 57.3 Ų | 57.3 | 30% | 0.301 | 31% | 0.309 | S | S | . | . | trans | -93.4 | 141.1 | 173.6 | -71.8 | 0 | 0 | 0 | 0 | 111.1 | N68 D69 L75 | N68-S73 CarbonylContact C-O 3.15Å; N68-S73 WeakPolarHBondContact CA-O 3.42Å; N68-S73 WeakPolarHBondContact CB-O 3.46Å; D69-S73 PolarHBondContact N-O 3.28Å; D69-S73 PolarHBondContact OD1-N 3.45Å; S73-L75 PolarHBondContact O-N 2.75Å | ||
| 74 | N | 91.1 | Very high | 89.3 | Confident | 82 Ų | 82 | 54.7 Ų | 54.7 | 44% | 0.439 | 29% | 0.29 | S | S | . | . | B | Isolated β-bridge | trans | -61.4 | 127.8 | 178.3 | -173.7 | -38.3 | 0 | 0 | 0 | 110.9 | N68 S76 S77 S80 | N68-N74 VanDerWaalsContact OD1-CA 3.32Å; N68-N74 WeakPolarHBondContact OD1-CA 3.27Å; N74-S76 PolarHBondContact O-N 3.3Å; N74-S76 VanDerWaalsContact O-N 3.11Å; N74-S76 WeakPolarHBondContact OD1-CB 3.27Å; N74-S76 PolarHBondContact OD1-N 3.43Å; N74-S77 VanDerWaalsContact O-CB 3.24Å; N74-S77 WeakPolarHBondContact O-CB 3.29Å; N74-S77 PolarHBondContact O-N 2.94Å; N74-S80 WeakPolarHBondContact O-CB 3.49Å |
| 75 | L | 89.6 | Confident | 89.4 | Confident | 7 Ų | 7 | 54 Ų | 54 | 4% | 0.037 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -27.9 | -178.8 | -74.3 | 167.8 | 0 | 0 | 0 | 113.1 | R67 D69 S73 S77 K82 Y84 I289 | R67-L75 WeakPolarHBondContact O-CB 3.43Å; R67-L75 VanDerWaalsContact O-CG 3.28Å; R67-L75 WeakPolarHBondContact O-CG 3.39Å; R67-L75 PolarHBondContact O-N 2.88Å; D69-L75 HydrophobicContact CB-CD2 3.91Å; S73-L75 PolarHBondContact O-N 2.75Å; L75-S77 VanDerWaalsContact C-N 3.27Å; L75-S77 PolarHBondContact O-N 2.9Å; L75-K82 WeakPolarHBondContact O-CE 3.38Å; L75-K82 PolarHBondContact O-NZ 2.98Å; L75-Y84 HydrophobicContact CD1-CD2 3.68Å; L75-Y84 HydrophobicContact CD1-CE2 4.04Å; L75-Y84 HydrophobicContact CD1-CG 4.48Å; L75-I289 HydrophobicContact CD1-CG2 3.83Å |
| 76 | S | 86.6 | Confident | 89.5 | Confident | 105 Ų | 105 | 53.9 Ų | 53.9 | 73% | 0.734 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -13.8 | 177.8 | -53.5 | 0 | 0 | 0 | 0 | 113.5 | N74 | N74-S76 PolarHBondContact O-N 3.3Å; N74-S76 VanDerWaalsContact O-N 3.11Å; N74-S76 WeakPolarHBondContact OD1-CB 3.27Å; N74-S76 PolarHBondContact OD1-N 3.43Å |
| 77 | S | 83.8 | Confident | 89.6 | Confident | 46 Ų | 46 | 50.1 Ų | 50.1 | 32% | 0.322 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -73.1 | 145.9 | 178.4 | -173.3 | 0 | 0 | 0 | 0 | 111.8 | N74 L75 S79 S80 | N74-S77 VanDerWaalsContact O-CB 3.24Å; N74-S77 WeakPolarHBondContact O-CB 3.29Å; N74-S77 PolarHBondContact O-N 2.94Å; L75-S77 VanDerWaalsContact C-N 3.27Å; L75-S77 PolarHBondContact O-N 2.9Å; S77-S79 PolarHBondContact O-N 3.5Å; S77-S79 PolarHBondContact OG-N 3.49Å; S77-S79 PolarHBondContact OG-OG 3.33Å; S77-S80 WeakPolarHBondContact O-CB 3.45Å; S77-S80 PolarHBondContact O-N 2.99Å |
| 78 | N | 77.4 | Confident | 89.8 | Confident | 166 Ų | 166 | 42.1 Ų | 42.1 | 89% | 0.888 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -21.9 | 170.4 | -69.6 | -11.7 | 0 | 0 | 0 | 112.5 | S80 | N78-S80 VanDerWaalsContact C-N 3.27Š|
| 79 | S | 72.9 | Confident | 90 | Very high | 83 Ų | 83 | 41.5 Ų | 41.5 | 58% | 0.58 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -5.7 | 176 | 68.6 | 0 | 0 | 0 | 0 | 113.5 | S77 | S77-S79 PolarHBondContact O-N 3.5Å; S77-S79 PolarHBondContact OG-N 3.49Å; S77-S79 PolarHBondContact OG-OG 3.33Å |
| 80 | S | 83.4 | Confident | 90.2 | Very high | 11 Ų | 11 | 44.5 Ų | 44.5 | 8% | 0.077 | 25% | 0.253 | C | S | . | . | trans | -75.1 | 139.6 | -180 | 173.8 | 0 | 0 | 0 | 0 | 110.7 | D69 N74 S77 N78 K82 | D69-S80 WeakPolarHBondContact OD2-CA 3.46Å; D69-S80 WeakPolarHBondContact OD2-CB 3.3Å; D69-S80 PolarHBondContact OD2-OG 3.07Å; N74-S80 WeakPolarHBondContact O-CB 3.49Å; S77-S80 WeakPolarHBondContact O-CB 3.45Å; S77-S80 PolarHBondContact O-N 2.99Å; N78-S80 VanDerWaalsContact C-N 3.27Å; S80-K82 PolarHBondContact O-N 3.4Å; S80-K82 PolarHBondContact OG-N 3.29Å | ||
| 81 | H | 80.9 | Confident | 90.3 | Very high | 117 Ų | 117 | 46.1 Ų | 46.1 | 54% | 0.542 | 26% | 0.263 | S | S | . | . | trans | -74.5 | -4.4 | 171.7 | -77.4 | -87.6 | 0 | 0 | 0 | 112.9 | D69 W71 S83 | D69-H81 PolarHBondContact OD2-N 3.42Å; W71-H81 AromaticContact CD1-CD2 3.69Å; W71-H81 AromaticContact CD1-CG 3.86Å; W71-H81 AromaticContact NE1-CD2 3.76Å; W71-H81 AromaticContact NE1-CG 3.64Å; H81-S83 PolarHBondContact O-N 3.3Å | ||
| 82 | K | 87 | Confident | 90.5 | Very high | 34 Ų | 34 | 43.5 Ų | 43.5 | 15% | 0.148 | 25% | 0.253 | C | S | . | . | trans | 57.5 | 18.7 | -178.2 | -50.2 | -67.1 | -175.9 | 161.5 | 0 | 113.7 | L75 S80 Y84 M290 | L75-K82 WeakPolarHBondContact O-CE 3.38Å; L75-K82 PolarHBondContact O-NZ 2.98Å; S80-K82 PolarHBondContact O-N 3.4Å; S80-K82 PolarHBondContact OG-N 3.29Å; K82-Y84 PolarHBondContact O-N 3.09Å; K82-M290 HydrophobicContact CB-CE 4.11Å; K82-M290 WeakPolarHBondContact O-CE 3.44Å | ||
| 83 | S | 89.4 | Confident | 90.7 | Very high | 19 Ų | 19 | 43.5 Ų | 43.5 | 13% | 0.133 | 25% | 0.248 | C | C | . | . | trans | -79 | 81 | 180 | 45.1 | 0 | 0 | 0 | 0 | 110.4 | F70 W71 H81 R85 | F70-S83 VanDerWaalsContact CB-O 3.28Å; F70-S83 WeakPolarHBondContact CB-O 3.31Å; F70-S83 PolarHBondContact N-O 3.4Å; W71-S83 VanDerWaalsContact CD1-OG 3.28Å; W71-S83 PolarHBondContact NE1-OG 3.34Å; H81-S83 PolarHBondContact O-N 3.3Å; S83-R85 PolarHBondContact O-N 3.21Å | ||
| 84 | Y | 93.6 | Very high | 91 | Very high | 8 Ų | 8 | 46.3 Ų | 46.3 | 3% | 0.031 | 26% | 0.259 | C | S | . | . | trans | -77.9 | 104.4 | -176.1 | -173 | -121.4 | 0 | 0 | 0 | 112.8 | L75 K82 P86 L219 R286 I289 M290 | L75-Y84 HydrophobicContact CD1-CD2 3.68Å; L75-Y84 HydrophobicContact CD1-CE2 4.04Å; L75-Y84 HydrophobicContact CD1-CG 4.48Å; K82-Y84 PolarHBondContact O-N 3.09Å; Y84-P86 HydrophobicContact CD2-CG 4.49Å; Y84-P86 HydrophobicContact CE1-CG 4.02Å; Y84-P86 HydrophobicContact CE2-CB 4.32Å; Y84-P86 HydrophobicContact CE2-CG 3.92Å; Y84-L219 HydrophobicContact CD1-CD2 4.5Å; Y84-L219 HydrophobicContact CE1-CD2 3.78Å; Y84-R286 PolarHBondContact O-NH2 3.41Å; Y84-I289 HydrophobicContact CD1-CG2 4.38Å; Y84-I289 HydrophobicContact CD2-CG2 4.24Å; Y84-I289 HydrophobicContact CE1-CD1 3.98Å; Y84-I289 HydrophobicContact CE1-CG2 4.02Å; Y84-I289 HydrophobicContact CE2-CG2 3.86Å; Y84-I289 HydrophobicContact CG-CG2 4.46Å; Y84-M290 HydrophobicContact CG-CG 4.46Å | ||
| 85 | R | 96.3 | Very high | 91.2 | Very high | 32 Ų | 32 | 43.1 Ų | 43.1 | 12% | 0.121 | 24% | 0.242 | C | C | . | . | trans | -140.8 | 55.2 | -175.5 | -59.6 | -179.9 | -177.4 | 164.4 | 0.9 | 113.1 | F70 S83 L87 T88 V89 L219 C220 E222 | F70-R85 HydrophobicContact CB-CB 4.3Å; F70-R85 HydrophobicContact CD2-CB 3.85Å; F70-R85 HydrophobicContact CD2-CG 4.42Å; F70-R85 HydrophobicContact CG-CB 4.46Å; S83-R85 PolarHBondContact O-N 3.21Å; R85-L87 PolarHBondContact O-N 2.84Å; R85-T88 PolarHBondContact O-N 3.36Å; R85-V89 PolarHBondContact O-N 2.92Å; R85-L219 CarbonylContact C-O 3.6Å; R85-L219 WeakPolarHBondContact CA-O 3.43Å; R85-C220 WeakPolarHBondContact CB-O 3.24Å; R85-C220 VanDerWaalsContact CD-O 3.29Å; R85-C220 WeakPolarHBondContact CD-O 3.24Å; R85-C220 VanDerWaalsContact CG-O 3.24Å; R85-C220 WeakPolarHBondContact CG-O 3.49Å; R85-E222 IonicContact CZ-OE1 2.69Å; R85-E222 IonicContact CZ-OE2 2.73Å; R85-E222 IonicContact NE-OE2 2.78Å; R85-E222 PolarHBondContact NE-OE2 3.32Å; R85-E222 IonicContact NH2-OE1 2.99Å; R85-E222 PolarHBondContact NH2-OE1 3.18Å; R85-E222 IonicContact NH2-OE2 3.45Å | ||
| 86 | P | 97.3 | Very high | 91.6 | Very high | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.006 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.9 | -35.9 | -168.9 | 26.3 | -37.2 | 0 | 0 | 0 | 113.8 | I65 W66 Y84 T88 V89 L90 L219 | I65-P86 HydrophobicContact CG2-CB 3.7Å; I65-P86 WeakPolarHBondContact CG2-O 3.19Å; I65-P86 WeakPolarHBondContact O-CB 3.38Å; W66-P86 HydrophobicContact CD2-CB 4.33Å; W66-P86 HydrophobicContact CE3-CB 3.93Å; W66-P86 HydrophobicContact CE3-CG 3.93Å; W66-P86 HydrophobicContact CZ3-CB 4.09Å; W66-P86 HydrophobicContact CZ3-CG 3.81Å; Y84-P86 HydrophobicContact CD2-CG 4.49Å; Y84-P86 HydrophobicContact CE1-CG 4.02Å; Y84-P86 HydrophobicContact CE2-CB 4.32Å; Y84-P86 HydrophobicContact CE2-CG 3.92Å; P86-T88 VanDerWaalsContact C-N 3.34Å; P86-T88 PolarHBondContact O-N 3.34Å; P86-V89 PolarHBondContact O-N 3.46Å; P86-L90 WeakPolarHBondContact O-CB 3.46Å; P86-L90 PolarHBondContact O-N 2.9Å; P86-L219 VanDerWaalsContact CD-O 3.3Å; P86-L219 WeakPolarHBondContact CD-O 3.44Å; P86-L219 HydrophobicContact CG-CB 4.25Å; P86-L219 HydrophobicContact CG-CD2 3.77Å |
| 87 | L | 97.9 | Very high | 92 | Very high | 37 Ų | 37 | 44.4 Ų | 44.4 | 19% | 0.194 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68.2 | -36.4 | -179.9 | -71.8 | -173.9 | 0 | 0 | 0 | 111.7 | W66 R85 L90 T91 A216 L219 | W66-L87 HydrophobicContact CH2-CD2 4.33Å; R85-L87 PolarHBondContact O-N 2.84Å; L87-L90 HydrophobicContact CD2-CD2 4.28Å; L87-L90 WeakPolarHBondContact O-CB 3.29Å; L87-L90 PolarHBondContact O-N 2.96Å; L87-T91 WeakPolarHBondContact O-CG2 3.46Å; L87-T91 PolarHBondContact O-N 2.95Å; L87-A216 HydrophobicContact CD1-CB 4.04Å; L87-L219 HydrophobicContact CB-CB 4.26Å; L87-L219 HydrophobicContact CD1-CB 3.71Å; L87-L219 HydrophobicContact CD1-CD1 4.01Å; L87-L219 HydrophobicContact CG-CB 3.71Å; L87-L219 HydrophobicContact CG-CD1 4.16Å; L87-L219 PolarHBondContact N-O 3.16Å |
| 88 | T | 98.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.6 | -48.7 | 175.1 | -50.8 | 0 | 0 | 0 | 0 | 110.8 | F70 R85 P86 L90 T91 F92 R172 A173 L176 C220 | F70-T88 HydrophobicContact CE2-CG2 3.86Å; R85-T88 PolarHBondContact O-N 3.36Å; P86-T88 VanDerWaalsContact C-N 3.34Å; P86-T88 PolarHBondContact O-N 3.34Å; T88-L90 VanDerWaalsContact C-N 3.28Å; T88-L90 PolarHBondContact O-N 2.84Å; T88-T91 PolarHBondContact O-N 3.46Å; T88-T91 PolarHBondContact O-OG1 2.74Å; T88-F92 HydrophobicContact CG2-CE1 4.44Å; T88-F92 HydrophobicContact CG2-CE2 3.88Å; T88-F92 HydrophobicContact CG2-CZ 3.77Å; T88-F92 PolarHBondContact O-N 2.95Å; T88-F92 VanDerWaalsContact O-N 3.12Å; T88-R172 HydrophobicContact CG2-CB 4.28Å; T88-R172 HydrophobicContact CG2-CG 4.44Å; T88-A173 HydrophobicContact CG2-CB 3.98Å; T88-L176 HydrophobicContact CG2-CD1 4.43Å; T88-C220 VanDerWaalsContact OG1-CA 3.32Å; T88-C220 WeakPolarHBondContact OG1-CA 3.41Å; T88-C220 PolarHBondContact OG1-O 3.4Å; T88-C220 VanDerWaalsContact OG1-O 3.09Å |
| 89 | V | 97.9 | Very high | 93.3 | Very high | 3 Ų | 3 | 42.5 Ų | 42.5 | 2% | 0.018 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.2 | -38.3 | 177.5 | 179.5 | 0 | 0 | 0 | 0 | 111.3 | D55 L56 I65 F70 R85 P86 T91 F92 R93 | D55-V89 HydrophobicContact CB-CG1 4.14Å; L56-V89 HydrophobicContact CD1-CG1 4.02Å; I65-V89 HydrophobicContact CD1-CG1 4.42Å; I65-V89 HydrophobicContact CG1-CG1 4.22Å; I65-V89 HydrophobicContact CG2-CB 4.2Å; I65-V89 HydrophobicContact CG2-CG1 4.35Å; F70-V89 HydrophobicContact CD2-CG2 4.04Å; R85-V89 PolarHBondContact O-N 2.92Å; P86-V89 PolarHBondContact O-N 3.46Å; V89-T91 VanDerWaalsContact C-N 3.31Å; V89-T91 PolarHBondContact O-N 2.82Å; V89-F92 WeakPolarHBondContact O-CB 3.41Å; V89-F92 PolarHBondContact O-N 3.43Å; V89-F92 VanDerWaalsContact O-N 3.13Å; V89-R93 PolarHBondContact O-N 3.06Å |
| 90 | L | 97.6 | Very high | 94.3 | Very high | 64 Ų | 64 | 41.7 Ų | 41.7 | 34% | 0.335 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -58.9 | -41.8 | 173.8 | -179.7 | 63.7 | 0 | 0 | 0 | 111.8 | L62 I65 P86 L87 T88 F92 R93 L94 | L62-L90 HydrophobicContact CD1-CD1 3.84Å; I65-L90 HydrophobicContact CD1-CB 4.41Å; I65-L90 HydrophobicContact CD1-CD1 4.16Å; P86-L90 WeakPolarHBondContact O-CB 3.46Å; P86-L90 PolarHBondContact O-N 2.9Å; L87-L90 HydrophobicContact CD2-CD2 4.28Å; L87-L90 WeakPolarHBondContact O-CB 3.29Å; L87-L90 PolarHBondContact O-N 2.96Å; T88-L90 VanDerWaalsContact C-N 3.28Å; T88-L90 PolarHBondContact O-N 2.84Å; L90-F92 VanDerWaalsContact C-N 3.34Å; L90-F92 PolarHBondContact O-N 3.48Å; L90-R93 PolarHBondContact O-N 3.3Å; L90-L94 PolarHBondContact O-N 2.91Å |
| 91 | T | 97.9 | Very high | 94.8 | Very high | 36 Ų | 36 | 41.6 Ų | 41.6 | 22% | 0.221 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.6 | -34.6 | 175.4 | 71.9 | 0 | 0 | 0 | 0 | 112.7 | L87 T88 V89 L94 N95 R172 L176 | L87-T91 WeakPolarHBondContact O-CG2 3.46Å; L87-T91 PolarHBondContact O-N 2.95Å; T88-T91 PolarHBondContact O-N 3.46Å; T88-T91 PolarHBondContact O-OG1 2.74Å; V89-T91 VanDerWaalsContact C-N 3.31Å; V89-T91 PolarHBondContact O-N 2.82Å; T91-L94 PolarHBondContact O-N 3.43Å; T91-N95 WeakPolarHBondContact O-CB 3.4Å; T91-N95 PolarHBondContact O-N 3.41Å; T91-R172 PolarHBondContact O-NH1 3.32Å; T91-R172 WeakPolarHBondContact OG1-CD 3.41Å; T91-L176 HydrophobicContact CG2-CD1 3.63Å |
| 92 | F | 97.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.9 | -43.7 | 173.6 | -62.7 | -35.9 | 0 | 0 | 0 | 111.5 | L56 F70 T88 V89 L90 N95 Y96 F107 V169 R172 | L56-F92 HydrophobicContact CD1-CB 4.16Å; L56-F92 HydrophobicContact CD2-CB 3.83Å; L56-F92 HydrophobicContact CG-CB 3.95Å; F70-F92 AromaticContact CE2-CE2 3.66Å; F70-F92 HydrophobicContact CE2-CE2 3.66Å; F70-F92 HydrophobicContact CE2-CZ 4.3Å; F70-F92 AromaticContact CZ-CE2 3.91Å; F70-F92 HydrophobicContact CZ-CE2 3.91Å; F70-F92 HydrophobicContact CZ-CZ 4.35Å; T88-F92 HydrophobicContact CG2-CE1 4.44Å; T88-F92 HydrophobicContact CG2-CE2 3.88Å; T88-F92 HydrophobicContact CG2-CZ 3.77Å; T88-F92 PolarHBondContact O-N 2.95Å; T88-F92 VanDerWaalsContact O-N 3.12Å; V89-F92 WeakPolarHBondContact O-CB 3.41Å; V89-F92 PolarHBondContact O-N 3.43Å; V89-F92 VanDerWaalsContact O-N 3.13Å; L90-F92 VanDerWaalsContact C-N 3.34Å; L90-F92 PolarHBondContact O-N 3.48Å; F92-N95 WeakPolarHBondContact O-CB 3.28Å; F92-N95 PolarHBondContact O-N 2.92Å; F92-Y96 PolarHBondContact O-N 3.38Å; F92-F107 HydrophobicContact CB-CE1 4.09Å; F92-F107 HydrophobicContact CD1-CD1 4.04Å; F92-F107 HydrophobicContact CD1-CE1 4.09Å; F92-F107 HydrophobicContact CG-CE1 4.47Å; F92-V169 HydrophobicContact CD1-CG1 4.44Å; F92-V169 HydrophobicContact CE1-CG1 3.89Å; F92-R172 HydrophobicContact CE1-CB 3.73Å; F92-R172 HydrophobicContact CE1-CG 4.22Å; F92-R172 HydrophobicContact CZ-CB 4Å |
| 93 | R | 97.1 | Very high | 95.9 | Very high | 20 Ų | 20 | 42.6 Ų | 42.6 | 8% | 0.075 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.2 | -43.7 | 176.3 | -175.7 | 176.1 | -179.1 | 145.7 | -3.6 | 111.9 | D55 T60 V89 L90 N95 Y96 L97 | D55-R93 WeakPolarHBondContact O-CD 3.38Å; D55-R93 PolarHBondContact O-NH1 3Å; T60-R93 PolarHBondContact O-NH1 3.27Å; T60-R93 PolarHBondContact O-NH2 3.33Å; V89-R93 PolarHBondContact O-N 3.06Å; L90-R93 PolarHBondContact O-N 3.3Å; R93-N95 VanDerWaalsContact C-N 3.3Å; R93-N95 PolarHBondContact O-N 2.99Å; R93-Y96 WeakPolarHBondContact O-CB 3.35Å; R93-Y96 PolarHBondContact O-N 3.34Å; R93-L97 HydrophobicContact CG-CD1 4.38Å; R93-L97 WeakPolarHBondContact O-CG 3.25Å; R93-L97 PolarHBondContact O-N 3.41Å |
| 94 | L | 96.6 | Very high | 96.2 | Very high | 101 Ų | 101 | 43.3 Ų | 43.3 | 53% | 0.529 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.3 | -41.9 | 175.5 | -178.3 | 61.1 | 0 | 0 | 0 | 111.2 | L90 T91 Y96 L97 I98 | L90-L94 PolarHBondContact O-N 2.91Å; T91-L94 PolarHBondContact O-N 3.43Å; L94-Y96 PolarHBondContact O-N 3.48Å; L94-L97 PolarHBondContact O-N 2.97Å; L94-I98 HydrophobicContact CD1-CD1 4Å; L94-I98 HydrophobicContact CD1-CG1 4.26Å; L94-I98 HydrophobicContact CD2-CD1 4.49Å; L94-I98 HydrophobicContact CG-CD1 3.81Å; L94-I98 HydrophobicContact CG-CG1 4.47Å; L94-I98 VanDerWaalsContact O-CG1 3.3Å; L94-I98 WeakPolarHBondContact O-CG1 3.41Å; L94-I98 PolarHBondContact O-N 2.9Å |
| 95 | N | 96.8 | Very high | 96.4 | Very high | 16 Ų | 16 | 46.2 Ų | 46.2 | 9% | 0.086 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.2 | -41.4 | 177 | -153.9 | 139.3 | 0 | 0 | 0 | 112.1 | T91 F92 R93 A99 G106 F107 R172 | T91-N95 WeakPolarHBondContact O-CB 3.4Å; T91-N95 PolarHBondContact O-N 3.41Å; F92-N95 WeakPolarHBondContact O-CB 3.28Å; F92-N95 PolarHBondContact O-N 2.92Å; R93-N95 VanDerWaalsContact C-N 3.3Å; R93-N95 PolarHBondContact O-N 2.99Å; N95-A99 WeakPolarHBondContact O-CB 3.29Å; N95-A99 PolarHBondContact O-N 2.9Å; N95-G106 PolarHBondContact OD1-O 3.43Å; N95-F107 HydrophobicContact CB-CD1 4.06Å; N95-F107 HydrophobicContact CB-CE1 3.69Å; N95-F107 HydrophobicContact CB-CE2 4.18Å; N95-F107 HydrophobicContact CB-CG 4.47Å; N95-F107 HydrophobicContact CB-CZ 3.75Å; N95-R172 PolarHBondContact OD1-NH1 3.17Å; N95-R172 PolarHBondContact OD1-NH2 3.29Å |
| 96 | Y | 96.6 | Very high | 96.4 | Very high | 50 Ų | 50 | 46.3 Ų | 46.3 | 20% | 0.196 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.4 | -45.7 | 173.7 | 176.6 | -78.5 | 0 | 0 | 0 | 111.1 | P58 F92 R93 L94 A99 G100 G101 L102 | P58-Y96 VanDerWaalsContact CD-CE1 3.48Å; P58-Y96 HydrophobicContact CG-CD1 4.42Å; P58-Y96 HydrophobicContact CG-CE1 3.79Å; F92-Y96 PolarHBondContact O-N 3.38Å; R93-Y96 WeakPolarHBondContact O-CB 3.35Å; R93-Y96 PolarHBondContact O-N 3.34Å; L94-Y96 PolarHBondContact O-N 3.48Å; Y96-A99 PolarHBondContact O-N 3.39Å; Y96-G100 PolarHBondContact O-N 3.17Å; Y96-G101 PolarHBondContact O-N 3.42Å; Y96-L102 HydrophobicContact CD2-CD2 3.79Å; Y96-L102 HydrophobicContact CD2-CG 3.92Å; Y96-L102 HydrophobicContact CE2-CD2 4.21Å; Y96-L102 HydrophobicContact CE2-CG 3.85Å |
| 97 | L | 95.4 | Very high | 96.4 | Very high | 89 Ų | 89 | 46.2 Ų | 46.2 | 47% | 0.466 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -65.6 | -44.1 | -179.3 | -70.5 | 172.2 | 0 | 0 | 0 | 112.4 | P58 R93 L94 G100 | P58-L97 HydrophobicContact CB-CD2 4.3Å; P58-L97 HydrophobicContact CG-CD2 3.85Å; R93-L97 HydrophobicContact CG-CD1 4.38Å; R93-L97 WeakPolarHBondContact O-CG 3.25Å; R93-L97 PolarHBondContact O-N 3.41Å; L94-L97 PolarHBondContact O-N 2.97Å; L97-G100 PolarHBondContact O-N 2.85Å |
| 98 | I | 95.4 | Very high | 96.4 | Very high | 133 Ų | 133 | 44.5 Ų | 44.5 | 68% | 0.682 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -65.1 | -40.9 | 178.9 | -68.4 | 168.3 | 0 | 0 | 0 | 111 | L94 G100 | L94-I98 HydrophobicContact CD1-CD1 4Å; L94-I98 HydrophobicContact CD1-CG1 4.26Å; L94-I98 HydrophobicContact CD2-CD1 4.49Å; L94-I98 HydrophobicContact CG-CD1 3.81Å; L94-I98 HydrophobicContact CG-CG1 4.47Å; L94-I98 VanDerWaalsContact O-CG1 3.3Å; L94-I98 WeakPolarHBondContact O-CG1 3.41Å; L94-I98 PolarHBondContact O-N 2.9Å; I98-G100 VanDerWaalsContact C-N 3.3Å; I98-G100 PolarHBondContact O-N 3.47Å |
| 99 | A | 93.8 | Very high | 96.4 | Very high | 39 Ų | 39 | 47.1 Ų | 47.1 | 32% | 0.322 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -78.4 | -13.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | N95 Y96 G101 H103 | N95-A99 WeakPolarHBondContact O-CB 3.29Å; N95-A99 PolarHBondContact O-N 2.9Å; Y96-A99 PolarHBondContact O-N 3.39Å; A99-G101 VanDerWaalsContact C-N 3.29Å; A99-H103 HydrophobicContact CB-CB 4.3Å; A99-H103 PolarHBondContact O-CD2 3.26Å; A99-H103 VanDerWaalsContact O-CD2 3.32Å |
| 100 | G | 93.1 | Very high | 96.4 | Very high | 66 Ų | 66 | 49.8 Ų | 49.8 | 68% | 0.68 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.8 | 16.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y96 L97 I98 | Y96-G100 PolarHBondContact O-N 3.17Å; L97-G100 PolarHBondContact O-N 2.85Å; I98-G100 VanDerWaalsContact C-N 3.3Å; I98-G100 PolarHBondContact O-N 3.47Å |
| 101 | G | 94.3 | Very high | 96.5 | Very high | 8 Ų | 8 | 46.8 Ų | 46.8 | 8% | 0.082 | 28% | 0.276 | C | S | . | . | S | Bend | trans | 160.6 | -167.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y96 A99 H103 | Y96-G101 PolarHBondContact O-N 3.42Å; A99-G101 VanDerWaalsContact C-N 3.29Å; G101-H103 PolarHBondContact O-N 3.46Å |
| 102 | L | 95.1 | Very high | 96.5 | Very high | 63 Ų | 63 | 45.3 Ų | 45.3 | 33% | 0.33 | 27% | 0.267 | S | S | . | . | trans | -84.8 | 82 | 175.1 | -71.8 | 173.7 | 0 | 0 | 0 | 110.2 | F42 I50 V51 Y96 | F42-L102 HydrophobicContact CE2-CB 4.05Å; F42-L102 HydrophobicContact CE2-CD2 4.38Å; F42-L102 HydrophobicContact CZ-CD2 4.46Å; I50-L102 HydrophobicContact CG2-CD2 3.8Å; V51-L102 HydrophobicContact CB-CD1 4.45Å; V51-L102 HydrophobicContact CG1-CD1 4.18Å; Y96-L102 HydrophobicContact CD2-CD2 3.79Å; Y96-L102 HydrophobicContact CD2-CG 3.92Å; Y96-L102 HydrophobicContact CE2-CD2 4.21Å; Y96-L102 HydrophobicContact CE2-CG 3.85Å | ||
| 103 | H | 95.3 | Very high | 96.5 | Very high | 110 Ų | 110 | 49.4 Ų | 49.4 | 51% | 0.509 | 29% | 0.288 | S | S | . | . | trans | -109.8 | 108.6 | 173.9 | -65.2 | -68.1 | 0 | 0 | 0 | 110.3 | A99 G101 V105 F107 | A99-H103 HydrophobicContact CB-CB 4.3Å; A99-H103 PolarHBondContact O-CD2 3.26Å; A99-H103 VanDerWaalsContact O-CD2 3.32Å; G101-H103 PolarHBondContact O-N 3.46Å; H103-V105 VanDerWaalsContact C-N 3.33Å; H103-V105 PolarHBondContact O-N 3.44Å; H103-F107 VanDerWaalsContact O-CD2 3.28Å; H103-F107 WeakPolarHBondContact O-CD2 3.4Å | ||
| 104 | P | 96.1 | Very high | 96.6 | Very high | 33 Ų | 33 | 49.3 Ų | 49.3 | 21% | 0.214 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -56 | -39.4 | -172 | -26.5 | 32 | 0 | 0 | 0 | 115 | G40 F42 G106 F107 H108 | G40-P104 WeakPolarHBondContact O-CB 3.49Å; F42-P104 HydrophobicContact CD2-CG 3.85Å; F42-P104 HydrophobicContact CE1-CB 4.33Å; F42-P104 HydrophobicContact CE2-CB 4.26Å; F42-P104 HydrophobicContact CE2-CG 3.63Å; F42-P104 HydrophobicContact CG-CG 4.4Å; F42-P104 HydrophobicContact CZ-CB 4.15Å; F42-P104 HydrophobicContact CZ-CG 4.01Å; P104-G106 VanDerWaalsContact C-N 3.35Å; P104-G106 PolarHBondContact O-N 2.93Å; P104-F107 WeakPolarHBondContact O-CA 3.24Å; P104-F107 WeakPolarHBondContact O-CB 3.4Å; P104-F107 PolarHBondContact O-N 2.9Å; P104-H108 PolarHBondContact O-CD2 2.87Å; P104-H108 VanDerWaalsContact O-CD2 3.27Å; P104-H108 PolarHBondContact O-N 2.92Å; P104-H108 VanDerWaalsContact O-N 3.14Å |
| 105 | V | 97.2 | Very high | 96.7 | Very high | 70 Ų | 70 | 44.5 Ų | 44.5 | 42% | 0.424 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -52.4 | -49.1 | -172.2 | 179 | 0 | 0 | 0 | 0 | 112.7 | Y38 H103 F107 H108 V109 | Y38-V105 HydrophobicContact CD2-CG1 4.27Å; Y38-V105 WeakPolarHBondContact O-CA 3.05Å; H103-V105 VanDerWaalsContact C-N 3.33Å; H103-V105 PolarHBondContact O-N 3.44Å; V105-F107 PolarHBondContact O-N 3.14Å; V105-H108 PolarHBondContact O-N 2.93Å; V105-V109 HydrophobicContact CG1-CG2 4.14Å; V105-V109 WeakPolarHBondContact O-CB 3.49Å; V105-V109 VanDerWaalsContact O-CG2 3.27Å; V105-V109 WeakPolarHBondContact O-CG2 3.48Å; V105-V109 PolarHBondContact O-N 3.04Å |
| 106 | G | 97 | Very high | 96.8 | Very high | 33 Ų | 33 | 44.2 Ų | 44.2 | 34% | 0.34 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.7 | -30.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | N95 P104 L110 | N95-G106 PolarHBondContact OD1-O 3.43Å; P104-G106 VanDerWaalsContact C-N 3.35Å; P104-G106 PolarHBondContact O-N 2.93Å; G106-L110 PolarHBondContact O-N 2.92Å |
| 107 | F | 97.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -73.2 | -45.4 | 178.9 | -71.5 | -104 | 0 | 0 | 0 | 112.4 | F42 I50 F92 N95 H103 P104 V105 L110 N111 V169 R172 | F42-F107 HydrophobicContact CE1-CB 4.41Å; F42-F107 HydrophobicContact CE1-CD2 4.21Å; F42-F107 HydrophobicContact CE1-CG 4.19Å; F42-F107 AromaticContact CZ-CD2 3.99Å; F42-F107 HydrophobicContact CZ-CD2 3.99Å; F42-F107 HydrophobicContact CZ-CE2 4.15Å; F42-F107 HydrophobicContact CZ-CG 4.43Å; I50-F107 HydrophobicContact CG2-CE1 4.14Å; I50-F107 HydrophobicContact CG2-CZ 4.37Å; F92-F107 HydrophobicContact CB-CE1 4.09Å; F92-F107 HydrophobicContact CD1-CD1 4.04Å; F92-F107 HydrophobicContact CD1-CE1 4.09Å; F92-F107 HydrophobicContact CG-CE1 4.47Å; N95-F107 HydrophobicContact CB-CD1 4.06Å; N95-F107 HydrophobicContact CB-CE1 3.69Å; N95-F107 HydrophobicContact CB-CE2 4.18Å; N95-F107 HydrophobicContact CB-CG 4.47Å; N95-F107 HydrophobicContact CB-CZ 3.75Å; H103-F107 VanDerWaalsContact O-CD2 3.28Å; H103-F107 WeakPolarHBondContact O-CD2 3.4Å; P104-F107 WeakPolarHBondContact O-CA 3.24Å; P104-F107 WeakPolarHBondContact O-CB 3.4Å; P104-F107 PolarHBondContact O-N 2.9Å; V105-F107 PolarHBondContact O-N 3.14Å; F107-L110 PolarHBondContact O-N 3.37Å; F107-N111 PolarHBondContact O-N 3.38Å; F107-V169 HydrophobicContact CB-CB 4.5Å; F107-V169 HydrophobicContact CB-CG1 3.6Å; F107-V169 HydrophobicContact CB-CG2 4.01Å; F107-V169 HydrophobicContact CD1-CG1 3.76Å; F107-V169 HydrophobicContact CG-CG1 4.09Å; F107-R172 VanDerWaalsContact CA-NH2 3.26Å; F107-R172 PolarHBondContact O-NH2 2.71Å |
| 108 | H | 98.1 | Very high | 97 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.5 | -44.2 | 177.4 | -68.3 | -74.3 | 0 | 0 | 0 | 111.7 | G40 E41 P104 V105 L110 N111 I112 A167 V169 | G40-H108 PolarHBondContact O-CD2 3.5Å; G40-H108 PolarHBondContact O-NE2 2.99Å; E41-H108 PolarHBondContact O-NE2 2.86Å; P104-H108 PolarHBondContact O-CD2 2.87Å; P104-H108 VanDerWaalsContact O-CD2 3.27Å; P104-H108 PolarHBondContact O-N 2.92Å; P104-H108 VanDerWaalsContact O-N 3.14Å; V105-H108 PolarHBondContact O-N 2.93Å; H108-L110 VanDerWaalsContact C-N 3.28Å; H108-L110 PolarHBondContact O-N 3.44Å; H108-N111 PolarHBondContact O-N 3.2Å; H108-N111 VanDerWaalsContact O-N 3.09Å; H108-I112 WeakPolarHBondContact O-CG1 3.39Å; H108-I112 PolarHBondContact O-N 3.41Å; H108-A167 PolarHBondContact CE1-O 3.48Å; H108-A167 PolarHBondContact ND1-O 2.83Å; H108-V169 WeakPolarHBondContact CE1-CG2 3.04Å |
| 109 | V | 98.1 | Very high | 97.2 | Very high | 54 Ų | 54 | 34.4 Ų | 34.4 | 33% | 0.327 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -57.4 | -42.4 | 177.6 | 169.3 | 0 | 0 | 0 | 0 | 111.2 | V105 N111 I112 I113 | V105-V109 HydrophobicContact CG1-CG2 4.14Å; V105-V109 WeakPolarHBondContact O-CB 3.49Å; V105-V109 VanDerWaalsContact O-CG2 3.27Å; V105-V109 WeakPolarHBondContact O-CG2 3.48Å; V105-V109 PolarHBondContact O-N 3.04Å; V109-N111 VanDerWaalsContact C-N 3.35Å; V109-N111 PolarHBondContact O-N 3.39Å; V109-I112 PolarHBondContact O-N 3.44Å; V109-I113 HydrophobicContact CG1-CD1 3.74Å; V109-I113 HydrophobicContact CG1-CG1 4.39Å; V109-I113 VanDerWaalsContact O-CG1 3.3Å; V109-I113 WeakPolarHBondContact O-CG1 3.3Å; V109-I113 PolarHBondContact O-N 2.96Å |
| 110 | L | 98 | Very high | 97.3 | Very high | 60 Ų | 60 | 33.8 Ų | 33.8 | 31% | 0.314 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63.3 | -39.6 | 177.2 | -178 | 57.4 | 0 | 0 | 0 | 112.3 | G106 F107 H108 I113 L114 | G106-L110 PolarHBondContact O-N 2.92Å; F107-L110 PolarHBondContact O-N 3.37Å; H108-L110 VanDerWaalsContact C-N 3.28Å; H108-L110 PolarHBondContact O-N 3.44Å; L110-I113 PolarHBondContact O-N 2.99Å; L110-L114 HydrophobicContact CD1-CD1 4.49Å; L110-L114 HydrophobicContact CD1-CG 4.28Å; L110-L114 HydrophobicContact CG-CD1 4.17Å; L110-L114 HydrophobicContact CG-CG 4.45Å; L110-L114 WeakPolarHBondContact O-CB 3.32Å; L110-L114 VanDerWaalsContact O-CG 3.25Å; L110-L114 WeakPolarHBondContact O-CG 3.32Å; L110-L114 PolarHBondContact O-N 3.36Å |
| 111 | N | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.7 | -42.8 | 176.4 | -75.4 | 13.5 | 0 | 0 | 0 | 111.6 | F107 H108 V109 I113 L114 H115 V166 G168 V169 R172 L175 | F107-N111 PolarHBondContact O-N 3.38Å; H108-N111 PolarHBondContact O-N 3.2Å; H108-N111 VanDerWaalsContact O-N 3.09Å; V109-N111 VanDerWaalsContact C-N 3.35Å; V109-N111 PolarHBondContact O-N 3.39Å; N111-I113 VanDerWaalsContact C-N 3.35Å; N111-I113 PolarHBondContact O-N 2.88Å; N111-L114 PolarHBondContact O-N 2.96Å; N111-H115 PolarHBondContact O-N 2.72Å; N111-V166 VanDerWaalsContact CB-O 3.31Å; N111-V166 WeakPolarHBondContact CB-O 3.45Å; N111-G168 PolarHBondContact ND2-O 2.93Å; N111-G168 VanDerWaalsContact ND2-O 3.13Å; N111-V169 WeakPolarHBondContact ND2-CA 3.27Å; N111-V169 PolarHBondContact ND2-O 3.49Å; N111-V169 VanDerWaalsContact ND2-O 3.13Å; N111-R172 WeakPolarHBondContact OD1-CB 3.42Å; N111-R172 PolarHBondContact OD1-NE 3.45Å; N111-L175 HydrophobicContact CB-CD1 3.59Å; N111-L175 VanDerWaalsContact O-CD1 3.29Å; N111-L175 WeakPolarHBondContact O-CD1 3.37Å |
| 112 | I | 98.6 | Very high | 97.5 | Very high | 6 Ų | 6 | 32 Ų | 32 | 3% | 0.031 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.3 | -45.2 | 176.1 | -66 | 164.8 | 0 | 0 | 0 | 110.7 | L31 F34 H108 V109 H115 A116 V166 | L31-I112 HydrophobicContact CD2-CG2 3.64Å; F34-I112 HydrophobicContact CB-CG1 4.15Å; F34-I112 WeakPolarHBondContact O-CD1 3.45Å; H108-I112 WeakPolarHBondContact O-CG1 3.39Å; H108-I112 PolarHBondContact O-N 3.41Å; V109-I112 PolarHBondContact O-N 3.44Å; I112-H115 PolarHBondContact O-N 2.92Å; I112-A116 PolarHBondContact O-N 3.42Å; I112-V166 HydrophobicContact CG1-CG1 4.05Å |
| 113 | I | 98.5 | Very high | 97.4 | Very high | 85 Ų | 85 | 29 Ų | 29 | 44% | 0.436 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -62.8 | -45.9 | 176.7 | -68.8 | 168 | 0 | 0 | 0 | 111 | V109 L110 N111 H115 A116 V117 | V109-I113 HydrophobicContact CG1-CD1 3.74Å; V109-I113 HydrophobicContact CG1-CG1 4.39Å; V109-I113 VanDerWaalsContact O-CG1 3.3Å; V109-I113 WeakPolarHBondContact O-CG1 3.3Å; V109-I113 PolarHBondContact O-N 2.96Å; L110-I113 PolarHBondContact O-N 2.99Å; N111-I113 VanDerWaalsContact C-N 3.35Å; N111-I113 PolarHBondContact O-N 2.88Å; I113-H115 VanDerWaalsContact C-N 3.33Å; I113-H115 PolarHBondContact O-N 3.28Å; I113-A116 PolarHBondContact O-N 3.35Å; I113-V117 HydrophobicContact CG2-CG2 4.44Å; I113-V117 WeakPolarHBondContact O-CG2 3.34Å; I113-V117 PolarHBondContact O-N 3.43Å |
| 114 | L | 98.7 | Very high | 97.2 | Very high | 19 Ų | 19 | 25 Ų | 25 | 10% | 0.099 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -57.8 | -46.7 | 177.5 | -76.4 | 170.2 | 0 | 0 | 0 | 110.9 | L110 N111 A116 V117 I118 R172 L175 L176 L179 | L110-L114 HydrophobicContact CD1-CD1 4.49Å; L110-L114 HydrophobicContact CD1-CG 4.28Å; L110-L114 HydrophobicContact CG-CD1 4.17Å; L110-L114 HydrophobicContact CG-CG 4.45Å; L110-L114 WeakPolarHBondContact O-CB 3.32Å; L110-L114 VanDerWaalsContact O-CG 3.25Å; L110-L114 WeakPolarHBondContact O-CG 3.32Å; L110-L114 PolarHBondContact O-N 3.36Å; N111-L114 PolarHBondContact O-N 2.96Å; L114-A116 PolarHBondContact O-N 3.13Å; L114-V117 PolarHBondContact O-N 3.09Å; L114-I118 HydrophobicContact CB-CD1 4.48Å; L114-I118 WeakPolarHBondContact O-CB 3.44Å; L114-I118 VanDerWaalsContact O-CD1 3.24Å; L114-I118 WeakPolarHBondContact O-CD1 3.14Å; L114-I118 WeakPolarHBondContact O-CG1 3.33Å; L114-I118 PolarHBondContact O-N 3.42Å; L114-R172 HydrophobicContact CD1-CG 4.14Å; L114-L175 HydrophobicContact CB-CB 4.09Å; L114-L175 HydrophobicContact CB-CD1 4.12Å; L114-L175 HydrophobicContact CD1-CB 4.28Å; L114-L176 HydrophobicContact CD1-CD2 3.95Å; L114-L176 HydrophobicContact CD1-CG 4.28Å; L114-L176 HydrophobicContact CD2-CD2 4.08Å; L114-L179 HydrophobicContact CD2-CD2 3.97Å |
| 115 | H | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -60.3 | -43.8 | 176.7 | 179.8 | 63.6 | 0 | 0 | 0 | 112.4 | F34 N111 I112 I113 V117 I118 S119 A157 H162 V166 L175 Y414 | F34-H115 AromaticContact CD2-CD2 3.59Å; F34-H115 AromaticContact CE2-CD2 3.51Å; F34-H115 AromaticContact CE2-NE2 3.45Å; F34-H115 WeakPolarHBondContact CE2-NE2 3.34Å; N111-H115 PolarHBondContact O-N 2.72Å; I112-H115 PolarHBondContact O-N 2.92Å; I113-H115 VanDerWaalsContact C-N 3.33Å; I113-H115 PolarHBondContact O-N 3.28Å; H115-V117 VanDerWaalsContact C-N 3.35Å; H115-V117 PolarHBondContact O-N 3.38Å; H115-I118 PolarHBondContact O-N 3.22Å; H115-S119 PolarHBondContact CE1-OG 3.11Å; H115-S119 VanDerWaalsContact CE1-OG 3.32Å; H115-S119 PolarHBondContact NE2-OG 3.2Å; H115-S119 WeakPolarHBondContact O-CB 3.14Å; H115-S119 PolarHBondContact O-N 3Å; H115-S119 PolarHBondContact O-OG 3.35Å; H115-S119 VanDerWaalsContact O-OG 3.07Å; H115-A157 PolarHBondContact NE2-O 2.65Å; H115-H162 AromaticContact CE1-ND1 3.25Å; H115-H162 PolarHBondContact CE1-ND1 3.47Å; H115-H162 VanDerWaalsContact CE1-ND1 3.25Å; H115-V166 HydrophobicContact CB-CG1 4.12Å; H115-V166 HydrophobicContact CB-CG2 3.69Å; H115-L175 HydrophobicContact CB-CD2 4.2Å; H115-Y414 AromaticContact ND1-CE2 3.78Å; H115-Y414 AromaticContact ND1-CZ 3.7Å; H115-Y414 PolarHBondContact ND1-OH 3.25Å |
| 116 | A | 98.6 | Very high | 96.8 | Very high | 10 Ų | 10 | 20.4 Ų | 20.4 | 8% | 0.083 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -59.5 | -43.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | A30 L31 I112 I113 L114 S119 V120 | A30-A116 HydrophobicContact CB-CB 4.05Å; L31-A116 HydrophobicContact CD2-CB 4.38Å; I112-A116 PolarHBondContact O-N 3.42Å; I113-A116 PolarHBondContact O-N 3.35Å; L114-A116 PolarHBondContact O-N 3.13Å; A116-S119 PolarHBondContact O-N 3.31Å; A116-V120 VanDerWaalsContact O-CG2 3.27Å; A116-V120 WeakPolarHBondContact O-CG2 2.94Å; A116-V120 PolarHBondContact O-N 2.99Å |
| 117 | V | 98.6 | Very high | 96.4 | Very high | 65 Ų | 65 | 19 Ų | 19 | 39% | 0.394 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -63.1 | -46.4 | 176.7 | 171.9 | 0 | 0 | 0 | 0 | 111.5 | I113 L114 H115 S119 V120 L121 L179 | I113-V117 HydrophobicContact CG2-CG2 4.44Å; I113-V117 WeakPolarHBondContact O-CG2 3.34Å; I113-V117 PolarHBondContact O-N 3.43Å; L114-V117 PolarHBondContact O-N 3.09Å; H115-V117 VanDerWaalsContact C-N 3.35Å; H115-V117 PolarHBondContact O-N 3.38Å; V117-S119 VanDerWaalsContact C-N 3.31Å; V117-S119 PolarHBondContact O-N 3.25Å; V117-V120 PolarHBondContact O-N 3.43Å; V117-L121 HydrophobicContact CG1-CD1 4.09Å; V117-L121 HydrophobicContact CG1-CG 4.5Å; V117-L121 WeakPolarHBondContact O-CG 3.12Å; V117-L121 PolarHBondContact O-N 3.01Å; V117-L179 HydrophobicContact CG1-CD1 4.04Å |
| 118 | I | 98.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -60.6 | -42.3 | 178.7 | -67.8 | 161.3 | 0 | 0 | 0 | 110.7 | L114 H115 L121 M122 F156 L175 A178 L179 Q182 Y414 | L114-I118 HydrophobicContact CB-CD1 4.48Å; L114-I118 WeakPolarHBondContact O-CB 3.44Å; L114-I118 VanDerWaalsContact O-CD1 3.24Å; L114-I118 WeakPolarHBondContact O-CD1 3.14Å; L114-I118 WeakPolarHBondContact O-CG1 3.33Å; L114-I118 PolarHBondContact O-N 3.42Å; H115-I118 PolarHBondContact O-N 3.22Å; I118-L121 PolarHBondContact O-N 3.25Å; I118-M122 WeakPolarHBondContact O-CG 3.08Å; I118-M122 PolarHBondContact O-N 3.46Å; I118-M122 VanDerWaalsContact O-N 3.07Å; I118-F156 HydrophobicContact CG2-CE1 4.01Å; I118-F156 HydrophobicContact CG2-CZ 4.31Å; I118-L175 HydrophobicContact CD1-CB 3.92Å; I118-L175 HydrophobicContact CD1-CD2 4.17Å; I118-L175 WeakPolarHBondContact CD1-O 3.3Å; I118-A178 HydrophobicContact CD1-CB 4.33Å; I118-A178 HydrophobicContact CG2-CB 4.25Å; I118-L179 HydrophobicContact CD1-CB 4.26Å; I118-L179 HydrophobicContact CG1-CB 3.96Å; I118-L179 HydrophobicContact CG1-CD1 4.32Å; I118-Q182 PolarHBondContact O-NE2 3.07Å; I118-Q182 PolarHBondContact O-OE1 2.9Å; I118-Y414 HydrophobicContact CG2-CE1 4.17Å |
| 119 | S | 98.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -67 | -38.6 | 177.9 | -68.2 | 0 | 0 | 0 | 0 | 112.2 | V26 H115 A116 V117 M122 | V26-S119 WeakPolarHBondContact CG1-O 3.22Å; H115-S119 PolarHBondContact CE1-OG 3.11Å; H115-S119 VanDerWaalsContact CE1-OG 3.32Å; H115-S119 PolarHBondContact NE2-OG 3.2Å; H115-S119 WeakPolarHBondContact O-CB 3.14Å; H115-S119 PolarHBondContact O-N 3Å; H115-S119 PolarHBondContact O-OG 3.35Å; H115-S119 VanDerWaalsContact O-OG 3.07Å; A116-S119 PolarHBondContact O-N 3.31Å; V117-S119 VanDerWaalsContact C-N 3.31Å; V117-S119 PolarHBondContact O-N 3.25Å; S119-M122 WeakPolarHBondContact O-CB 3.4Å; S119-M122 PolarHBondContact O-N 3.44Å |
| 120 | V | 96.8 | Very high | 94.8 | Very high | 27 Ų | 27 | 16.9 Ų | 16.9 | 16% | 0.164 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -63.7 | -44.5 | 174.2 | 166.2 | 0 | 0 | 0 | 0 | 111.9 | K23 A27 A116 V117 M122 I123 | K23-V120 HydrophobicContact CB-CG1 3.84Å; K23-V120 HydrophobicContact CD-CG1 3.94Å; K23-V120 HydrophobicContact CG-CG1 3.77Å; K23-V120 WeakPolarHBondContact O-CG2 3.38Å; A27-V120 HydrophobicContact CB-CG2 3.79Å; A116-V120 VanDerWaalsContact O-CG2 3.27Å; A116-V120 WeakPolarHBondContact O-CG2 2.94Å; A116-V120 PolarHBondContact O-N 2.99Å; V117-V120 PolarHBondContact O-N 3.43Å; V120-M122 VanDerWaalsContact C-N 3.25Å; V120-M122 PolarHBondContact O-N 3.41Å; V120-I123 WeakPolarHBondContact O-CB 3.41Å; V120-I123 PolarHBondContact O-N 3.2Å |
| 121 | L | 95.6 | Very high | 93.7 | Very high | 33 Ų | 33 | 16 Ų | 16 | 17% | 0.173 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -66.1 | -27.7 | 178 | -72.4 | 175.4 | 0 | 0 | 0 | 112.5 | V117 I118 I123 D124 V125 L179 L183 L186 | V117-L121 HydrophobicContact CG1-CD1 4.09Å; V117-L121 HydrophobicContact CG1-CG 4.5Å; V117-L121 WeakPolarHBondContact O-CG 3.12Å; V117-L121 PolarHBondContact O-N 3.01Å; I118-L121 PolarHBondContact O-N 3.25Å; L121-I123 PolarHBondContact O-N 3.21Å; L121-D124 PolarHBondContact O-N 2.98Å; L121-V125 PolarHBondContact O-N 3.07Å; L121-L179 HydrophobicContact CD1-CD1 3.67Å; L121-L183 HydrophobicContact CD1-CD2 4.2Å; L121-L186 HydrophobicContact CD2-CD1 4.32Å |
| 122 | M | 95.5 | Very high | 92.6 | Very high | 3 Ų | 3 | 16.4 Ų | 16.4 | 2% | 0.015 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -61.4 | -26 | 175.5 | -84 | -60.4 | -178.3 | 0 | 0 | 113.7 | I118 S119 V120 D124 V125 F126 F156 Q182 A418 | I118-M122 WeakPolarHBondContact O-CG 3.08Å; I118-M122 PolarHBondContact O-N 3.46Å; I118-M122 VanDerWaalsContact O-N 3.07Å; S119-M122 WeakPolarHBondContact O-CB 3.4Å; S119-M122 PolarHBondContact O-N 3.44Å; V120-M122 VanDerWaalsContact C-N 3.25Å; V120-M122 PolarHBondContact O-N 3.41Å; M122-D124 VanDerWaalsContact C-N 3.29Å; M122-D124 PolarHBondContact O-N 3.34Å; M122-V125 PolarHBondContact O-N 3.46Å; M122-V125 HydrophobicContact SD-CB 4.03Å; M122-V125 HydrophobicContact SD-CG1 4.15Å; M122-V125 HydrophobicContact SD-CG2 4.33Å; M122-F126 HydrophobicContact CB-CD2 4.17Å; M122-F126 HydrophobicContact CB-CE2 3.83Å; M122-F126 HydrophobicContact CB-CZ 4.4Å; M122-F126 HydrophobicContact CG-CE2 4.36Å; M122-F126 HydrophobicContact CG-CZ 4.46Å; M122-F126 WeakPolarHBondContact O-CB 3.29Å; M122-F126 WeakPolarHBondContact O-CD2 3.32Å; M122-F126 VanDerWaalsContact O-CG 3.28Å; M122-F126 WeakPolarHBondContact O-CG 3.45Å; M122-F126 PolarHBondContact O-N 2.93Å; M122-F126 HydrophobicContact SD-CE1 4.28Å; M122-F126 HydrophobicContact SD-CE2 4.37Å; M122-F126 HydrophobicContact SD-CZ 4.03Å; M122-F156 HydrophobicContact CE-CE2 4.43Å; M122-F156 HydrophobicContact CE-CZ 4.37Å; M122-F156 HydrophobicContact CG-CD1 4.04Å; M122-F156 HydrophobicContact CG-CE1 4.09Å; M122-F156 HydrophobicContact CG-CG 4.39Å; M122-F156 HydrophobicContact CG-CZ 4.48Å; M122-Q182 HydrophobicContact CE-CG 3.9Å; M122-Q182 VanDerWaalsContact CG-NE2 3.31Å; M122-Q182 HydrophobicContact SD-CG 4.45Å; M122-A418 HydrophobicContact CE-CB 3.66Å; M122-A418 HydrophobicContact SD-CB 4.29Å |
| 123 | I | 92.8 | Very high | 91.1 | Very high | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -57.6 | -47.3 | 172.8 | -59.7 | 175.8 | 0 | 0 | 0 | 109.9 | A22 K23 V26 V120 L121 A127 A145 A153 | A22-I123 HydrophobicContact CB-CD1 4.34Å; K23-I123 HydrophobicContact CG-CD1 3.96Å; V26-I123 HydrophobicContact CB-CD1 4.16Å; V26-I123 HydrophobicContact CG2-CD1 3.7Å; V26-I123 HydrophobicContact CG2-CG1 4.13Å; V120-I123 WeakPolarHBondContact O-CB 3.41Å; V120-I123 PolarHBondContact O-N 3.2Å; L121-I123 PolarHBondContact O-N 3.21Å; I123-A127 VanDerWaalsContact O-CB 3.24Å; I123-A127 WeakPolarHBondContact O-CB 3.18Å; I123-A127 PolarHBondContact O-N 3Å; I123-A145 HydrophobicContact CG2-CB 3.68Å; I123-A153 HydrophobicContact CB-CB 4.49Å; I123-A153 HydrophobicContact CG1-CB 3.5Å |
| 124 | D | 90.8 | Very high | 89.3 | Confident | 26 Ų | 26 | 18.4 Ų | 18.4 | 14% | 0.139 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -69.3 | -40 | -178.4 | -68.6 | -48.3 | 0 | 0 | 0 | 111.2 | K23 L121 M122 A127 I128 N143 L186 | K23-D124 WeakPolarHBondContact CE-OD2 3.36Å; K23-D124 IonicContact NZ-OD1 3.56Å; K23-D124 IonicContact NZ-OD2 3.72Å; K23-D124 PolarHBondContact NZ-OD2 3.37Å; L121-D124 PolarHBondContact O-N 2.98Å; M122-D124 VanDerWaalsContact C-N 3.29Å; M122-D124 PolarHBondContact O-N 3.34Å; D124-A127 PolarHBondContact O-N 3.23Å; D124-I128 VanDerWaalsContact O-CG1 3.29Å; D124-I128 WeakPolarHBondContact O-CG1 3.24Å; D124-I128 PolarHBondContact O-N 3.19Å; D124-N143 PolarHBondContact OD1-ND2 3.1Å; D124-L186 HydrophobicContact CB-CD2 4.25Å |
| 125 | V | 92.9 | Very high | 87.4 | Confident | 6 Ų | 6 | 18.2 Ų | 18.2 | 4% | 0.036 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -60.7 | -51.6 | 175 | 176.3 | 0 | 0 | 0 | 0 | 110.7 | L121 M122 A127 I128 L129 Q182 F185 L186 | L121-V125 PolarHBondContact O-N 3.07Å; M122-V125 PolarHBondContact O-N 3.46Å; M122-V125 HydrophobicContact SD-CB 4.03Å; M122-V125 HydrophobicContact SD-CG1 4.15Å; M122-V125 HydrophobicContact SD-CG2 4.33Å; V125-A127 PolarHBondContact O-N 3.32Å; V125-I128 PolarHBondContact O-N 3.26Å; V125-L129 HydrophobicContact CG1-CD1 3.86Å; V125-L129 HydrophobicContact CG1-CG 4.43Å; V125-L129 VanDerWaalsContact O-CG 3.27Å; V125-L129 WeakPolarHBondContact O-CG 3.47Å; V125-L129 PolarHBondContact O-N 3.02Å; V125-Q182 HydrophobicContact CG2-CB 4.4Å; V125-Q182 HydrophobicContact CG2-CG 4.3Å; V125-F185 HydrophobicContact CG1-CD1 4.08Å; V125-F185 HydrophobicContact CG1-CE1 4Å; V125-F185 HydrophobicContact CG2-CD1 4.21Å; V125-L186 HydrophobicContact CG2-CD1 4.36Å; V125-L186 HydrophobicContact CG2-CD2 3.95Å; V125-L186 HydrophobicContact CG2-CG 4.1Å |
| 126 | F | 92.9 | Very high | 85.2 | Confident | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -65 | -39.1 | 179.5 | -65 | -39.9 | 0 | 0 | 0 | 112.3 | M122 I128 L129 I130 A152 A153 L389 A418 L422 | M122-F126 HydrophobicContact CB-CD2 4.17Å; M122-F126 HydrophobicContact CB-CE2 3.83Å; M122-F126 HydrophobicContact CB-CZ 4.4Å; M122-F126 HydrophobicContact CG-CE2 4.36Å; M122-F126 HydrophobicContact CG-CZ 4.46Å; M122-F126 WeakPolarHBondContact O-CB 3.29Å; M122-F126 WeakPolarHBondContact O-CD2 3.32Å; M122-F126 VanDerWaalsContact O-CG 3.28Å; M122-F126 WeakPolarHBondContact O-CG 3.45Å; M122-F126 PolarHBondContact O-N 2.93Å; M122-F126 HydrophobicContact SD-CE1 4.28Å; M122-F126 HydrophobicContact SD-CE2 4.37Å; M122-F126 HydrophobicContact SD-CZ 4.03Å; F126-I128 VanDerWaalsContact C-N 3.35Å; F126-I128 PolarHBondContact O-N 3.1Å; F126-L129 PolarHBondContact O-N 3.09Å; F126-I130 WeakPolarHBondContact O-CB 3.24Å; F126-I130 WeakPolarHBondContact O-CD1 3.48Å; F126-I130 WeakPolarHBondContact O-CG1 3.48Å; F126-I130 PolarHBondContact O-N 3.07Å; F126-A152 HydrophobicContact CD2-CB 3.54Å; F126-A152 HydrophobicContact CE2-CB 3.65Å; F126-A152 HydrophobicContact CG-CB 4.1Å; F126-A152 HydrophobicContact CZ-CB 4.29Å; F126-A153 HydrophobicContact CD2-CB 4.31Å; F126-A153 HydrophobicContact CE2-CB 4.43Å; F126-L389 HydrophobicContact CE1-CD1 4.2Å; F126-A418 HydrophobicContact CE1-CB 4.19Å; F126-A418 WeakPolarHBondContact CE1-O 3.45Å; F126-A418 HydrophobicContact CZ-CB 4.01Å; F126-A418 WeakPolarHBondContact CZ-O 3.23Å; F126-L422 HydrophobicContact CD1-CB 4.21Å; F126-L422 HydrophobicContact CD1-CD1 4.19Å; F126-L422 HydrophobicContact CD1-CD2 4.24Å; F126-L422 HydrophobicContact CD1-CG 4.45Å; F126-L422 HydrophobicContact CE1-CB 4.01Å |
| 127 | A | 88.4 | Confident | 82.9 | Confident | 3 Ų | 3 | 30.9 Ų | 30.9 | 3% | 0.025 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.1 | -45.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | I123 D124 V125 G131 N143 | I123-A127 VanDerWaalsContact O-CB 3.24Å; I123-A127 WeakPolarHBondContact O-CB 3.18Å; I123-A127 PolarHBondContact O-N 3Å; D124-A127 PolarHBondContact O-N 3.23Å; V125-A127 PolarHBondContact O-N 3.32Å; A127-G131 WeakPolarHBondContact O-CA 3.46Å; A127-G131 PolarHBondContact O-N 2.86Å; A127-N143 HydrophobicContact CB-CB 4.3Å |
| 128 | I | 87.8 | Confident | 80.5 | Confident | 7 Ų | 7 | 35.8 Ų | 35.8 | 4% | 0.036 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.4 | -42.6 | 177 | -69.8 | 165.6 | 0 | 0 | 0 | 111.2 | D124 V125 F126 G132 L133 F185 L186 C189 F234 R381 | D124-I128 VanDerWaalsContact O-CG1 3.29Å; D124-I128 WeakPolarHBondContact O-CG1 3.24Å; D124-I128 PolarHBondContact O-N 3.19Å; V125-I128 PolarHBondContact O-N 3.26Å; F126-I128 VanDerWaalsContact C-N 3.35Å; F126-I128 PolarHBondContact O-N 3.1Å; I128-G132 VanDerWaalsContact O-CA 3.29Å; I128-G132 WeakPolarHBondContact O-CA 3.11Å; I128-G132 PolarHBondContact O-N 3.42Å; I128-L133 HydrophobicContact CG1-CD2 4.45Å; I128-L133 HydrophobicContact CG2-CD2 3.92Å; I128-F185 HydrophobicContact CG2-CE1 4.28Å; I128-F185 HydrophobicContact CG2-CZ 4.24Å; I128-L186 HydrophobicContact CD1-CD2 3.65Å; I128-C189 HydrophobicContact CD1-CB 4.48Å; I128-F234 HydrophobicContact CG2-CE2 3.7Å; I128-F234 HydrophobicContact CG2-CZ 4.01Å; I128-R381 PolarHBondContact O-NH2 2.78Å |
| 129 | L | 87.5 | Confident | 78.1 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -68.2 | -36.6 | -178.2 | -68.6 | 175.3 | 0 | 0 | 0 | 112.7 | V125 F126 F185 F234 R381 F385 L389 | V125-L129 HydrophobicContact CG1-CD1 3.86Å; V125-L129 HydrophobicContact CG1-CG 4.43Å; V125-L129 VanDerWaalsContact O-CG 3.27Å; V125-L129 WeakPolarHBondContact O-CG 3.47Å; V125-L129 PolarHBondContact O-N 3.02Å; F126-L129 PolarHBondContact O-N 3.09Å; L129-F185 HydrophobicContact CD2-CE1 4.39Å; L129-F185 HydrophobicContact CD2-CE2 4.12Å; L129-F185 HydrophobicContact CD2-CZ 3.56Å; L129-F185 HydrophobicContact CG-CE1 4.48Å; L129-F185 HydrophobicContact CG-CZ 4.1Å; L129-F234 HydrophobicContact CD2-CD2 4.06Å; L129-R381 VanDerWaalsContact O-CZ 3.3Å; L129-R381 PolarHBondContact O-NE 3.4Å; L129-R381 PolarHBondContact O-NH2 3.19Å; L129-F385 HydrophobicContact CB-CB 4.27Å; L129-F385 HydrophobicContact CB-CD2 4.46Å; L129-F385 HydrophobicContact CB-CG 4.39Å; L129-F385 HydrophobicContact CD2-CB 4.23Å; L129-F385 HydrophobicContact CD2-CD1 3.67Å; L129-F385 HydrophobicContact CD2-CD2 4.22Å; L129-F385 HydrophobicContact CD2-CE1 4.04Å; L129-F385 HydrophobicContact CD2-CG 3.79Å; L129-F385 HydrophobicContact CD2-CZ 4.46Å; L129-L389 HydrophobicContact CD1-CD1 3.43Å; L129-L389 VanDerWaalsContact CD1-CD1 3.43Å; L129-L389 HydrophobicContact CD1-CG 4.19Å |
| 130 | I | 84.6 | Confident | 75.5 | Confident | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -82.9 | -54.3 | 179.2 | -57.8 | 165.9 | 0 | 0 | 0 | 111.5 | L6 F126 T148 R381 T382 L422 | L6-I130 HydrophobicContact CD1-CG2 3.57Å; L6-I130 HydrophobicContact CD2-CG2 3.4Å; L6-I130 VanDerWaalsContact CD2-CG2 3.4Å; L6-I130 HydrophobicContact CG-CG2 4.12Å; F126-I130 WeakPolarHBondContact O-CB 3.24Å; F126-I130 WeakPolarHBondContact O-CD1 3.48Å; F126-I130 WeakPolarHBondContact O-CG1 3.48Å; F126-I130 PolarHBondContact O-N 3.07Å; I130-T148 HydrophobicContact CD1-CG2 3.81Å; I130-R381 PolarHBondContact O-NE 3.25Å; I130-R381 PolarHBondContact O-NH1 3.32Å; I130-R381 PolarHBondContact O-NH2 3.34Å; I130-T382 HydrophobicContact CG1-CG2 4.39Å; I130-L422 HydrophobicContact CD1-CD1 3.59Å; I130-L422 HydrophobicContact CG1-CD1 3.75Å |
| 131 | G | 75.3 | Confident | 73.2 | Confident | 41 Ų | 41 | 50.4 Ų | 50.4 | 42% | 0.423 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -40 | -169.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | A127 R381 | A127-G131 WeakPolarHBondContact O-CA 3.46Å; A127-G131 PolarHBondContact O-N 2.86Å; G131-R381 VanDerWaalsContact C-NH1 3.32Å; G131-R381 VanDerWaalsContact C-NH2 3.35Å; G131-R381 PolarHBondContact O-NH1 2.98Å |
| 132 | G | 74.4 | Confident | 70.9 | Confident | 10 Ų | 10 | 50.8 Ų | 50.8 | 10% | 0.103 | 26% | 0.264 | C | S | . | . | trans | 116.5 | -169.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | I128 D134 | I128-G132 VanDerWaalsContact O-CA 3.29Å; I128-G132 WeakPolarHBondContact O-CA 3.11Å; I128-G132 PolarHBondContact O-N 3.42Å; G132-D134 PolarHBondContact O-N 3.49Å | ||
| 133 | L | 67.1 | Low | 68.7 | Low | 38 Ų | 38 | 51.9 Ų | 51.9 | 20% | 0.199 | 27% | 0.27 | C | S | . | . | trans | -87.7 | 99.2 | 173.5 | -61.2 | 173.4 | 0 | 0 | 0 | 108.1 | I128 Y135 C189 F192 F234 L238 I239 | I128-L133 HydrophobicContact CG1-CD2 4.45Å; I128-L133 HydrophobicContact CG2-CD2 3.92Å; L133-Y135 HydrophobicContact CB-CE2 3.81Å; L133-C189 HydrophobicContact CD2-CB 3.84Å; L133-F192 HydrophobicContact CD1-CB 3.92Å; L133-F192 HydrophobicContact CD1-CD2 4.39Å; L133-F234 HydrophobicContact CD1-CZ 4.17Å; L133-F234 HydrophobicContact CD2-CZ 4.36Å; L133-F234 HydrophobicContact CG-CZ 4.24Å; L133-L238 HydrophobicContact CG-CD2 4.33Å; L133-I239 HydrophobicContact CD1-CD1 3.88Å | ||
| 134 | D | 61.6 | Low | 67 | Low | 94 Ų | 94 | 59.2 Ų | 59.2 | 50% | 0.503 | 30% | 0.303 | S | S | . | . | trans | -105.2 | 134.5 | 170.4 | -159.8 | 8.6 | 0 | 0 | 0 | 110.1 | G132 T141 V142 | G132-D134 PolarHBondContact O-N 3.49Å; D134-T141 CarbonylContact O-C 3.27Å; D134-T141 WeakPolarHBondContact O-CA 3.27Å; D134-V142 PolarHBondContact O-N 3.13Å | ||
| 135 | Y | 58.7 | Low | 65.5 | Low | 15 Ų | 15 | 58.8 Ų | 58.8 | 6% | 0.059 | 30% | 0.304 | C | S | . | . | B | Isolated β-bridge | trans | -129.2 | 131.4 | -173.5 | -60.7 | -77.3 | 0 | 0 | 0 | 110.8 | L133 W140 T141 F192 N193 K194 | L133-Y135 HydrophobicContact CB-CE2 3.81Å; Y135-W140 WeakPolarHBondContact CA-O 3.28Å; Y135-T141 HydrophobicContact CD1-CG2 3.85Å; Y135-T141 HydrophobicContact CE1-CG2 3.54Å; Y135-F192 PolarHBondContact OH-O 3.04Å; Y135-N193 HydrophobicContact CE1-CB 4.49Å; Y135-N193 WeakPolarHBondContact CE1-OD1 3.49Å; Y135-N193 PolarHBondContact OH-OD1 3.35Å; Y135-K194 HydrophobicContact CD2-CB 4.31Å; Y135-K194 HydrophobicContact CD2-CG 4.43Å; Y135-K194 PolarHBondContact O-NZ 2.92Å |
| 136 | D | 52.1 | Low | 64.9 | Low | 84 Ų | 84 | 59.7 Ų | 59.7 | 45% | 0.449 | 31% | 0.31 | S | S | . | . | trans | -68.6 | 164.2 | 172.7 | -157.8 | -1.5 | 0 | 0 | 0 | 110.6 | K138 S139 W140 V142 | D136-K138 PolarHBondContact O-N 2.79Å; D136-S139 PolarHBondContact O-N 2.66Å; D136-W140 PolarHBondContact N-O 3.35Å; D136-V142 VanDerWaalsContact CA-CG2 3.49Å; D136-V142 HydrophobicContact CB-CG2 3.4Å; D136-V142 VanDerWaalsContact CB-CG2 3.4Å | ||
| 137 | E | 49.9 | Very low | 64.7 | Low | 192 Ų | 192 | 61.6 Ų | 61.6 | 90% | 0.897 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -23.6 | 174.1 | -66.2 | -168.7 | 164 | 0 | 0 | 112.8 | ||
| 138 | K | 50 | Low | 64.7 | Low | 168 Ų | 168 | 61.4 Ų | 61.4 | 73% | 0.73 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | 12.3 | 174.7 | -64.9 | -176.4 | -179.1 | 177.3 | 0 | 114.9 | D136 W140 | D136-K138 PolarHBondContact O-N 2.79Å; K138-W140 VanDerWaalsContact O-CD1 3.29Å; K138-W140 PolarHBondContact O-N 3.36Å |
| 139 | S | 47.5 | Very low | 64.9 | Low | 80 Ų | 80 | 61.1 Ų | 61.1 | 56% | 0.559 | 32% | 0.315 | S | S | * | . | S | Bend | trans | 64.8 | 18 | 180 | -51.5 | 0 | 0 | 0 | 0 | 115.7 | D136 | D136-S139 PolarHBondContact O-N 2.66Š|
| 140 | W | 44 | Very low | 65.1 | Low | 198 Ų | 198 | 61.2 Ų | 61.2 | 75% | 0.75 | 32% | 0.316 | S | S | * | . | trans | -92.2 | 140 | 170.1 | -72.1 | 83.4 | 0 | 0 | 0 | 109.9 | Y135 D136 K138 V142 | Y135-W140 WeakPolarHBondContact CA-O 3.28Å; D136-W140 PolarHBondContact N-O 3.35Å; K138-W140 VanDerWaalsContact O-CD1 3.29Å; K138-W140 PolarHBondContact O-N 3.36Å; W140-V142 PolarHBondContact O-N 3.01Å | ||
| 141 | T | 47.7 | Very low | 65.6 | Low | 57 Ų | 57 | 61.4 Ų | 61.4 | 35% | 0.35 | 32% | 0.317 | S | S | . | . | B | Isolated β-bridge | trans | -64.8 | 120.1 | 176.8 | 47.7 | 0 | 0 | 0 | 0 | 110.2 | D134 Y135 N143 | D134-T141 CarbonylContact O-C 3.27Å; D134-T141 WeakPolarHBondContact O-CA 3.27Å; Y135-T141 HydrophobicContact CD1-CG2 3.85Å; Y135-T141 HydrophobicContact CE1-CG2 3.54Å; T141-N143 PolarHBondContact O-N 3.35Å |
| 142 | V | 47 | Very low | 66.5 | Low | 40 Ų | 40 | 59.5 Ų | 59.5 | 24% | 0.242 | 30% | 0.297 | C | S | . | . | trans | -84.5 | 67.6 | 179.5 | -167.6 | 0 | 0 | 0 | 0 | 108.5 | D134 D136 W140 H144 | D134-V142 PolarHBondContact O-N 3.13Å; D136-V142 VanDerWaalsContact CA-CG2 3.49Å; D136-V142 HydrophobicContact CB-CG2 3.4Å; D136-V142 VanDerWaalsContact CB-CG2 3.4Å; W140-V142 PolarHBondContact O-N 3.01Å; V142-H144 VanDerWaalsContact C-N 3.27Å; V142-H144 WeakPolarHBondContact CG1-NE2 3.4Å; V142-H144 PolarHBondContact O-N 3.16Å | ||
| 143 | N | 50.3 | Low | 67.6 | Low | 26 Ų | 26 | 59 Ų | 59 | 14% | 0.139 | 29% | 0.292 | C | S | . | . | trans | -78.1 | 80.2 | 171.4 | -82 | -13.2 | 0 | 0 | 0 | 109.1 | D124 A127 T141 A145 | D124-N143 PolarHBondContact OD1-ND2 3.1Å; A127-N143 HydrophobicContact CB-CB 4.3Å; T141-N143 PolarHBondContact O-N 3.35Å; N143-A145 PolarHBondContact O-N 3.03Å | ||
| 144 | H | 55.7 | Low | 69.1 | Low | 155 Ų | 155 | 57.8 Ų | 57.8 | 72% | 0.718 | 29% | 0.285 | S | S | * | . | trans | -68.1 | 79.1 | 163 | -72.7 | -51.4 | 0 | 0 | 0 | 108.7 | V142 P146 | V142-H144 VanDerWaalsContact C-N 3.27Å; V142-H144 WeakPolarHBondContact CG1-NE2 3.4Å; V142-H144 PolarHBondContact O-N 3.16Å; H144-P146 WeakPolarHBondContact O-CD 3.12Å | ||
| 145 | A | 60.9 | Low | 70.8 | Confident | 18 Ų | 18 | 53.4 Ų | 53.4 | 15% | 0.149 | 26% | 0.262 | C | S | . | . | trans | -23 | 92 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | A22 I123 N143 | A22-A145 HydrophobicContact CB-CB 4.1Å; I123-A145 HydrophobicContact CG2-CB 3.68Å; N143-A145 PolarHBondContact O-N 3.03Å | ||
| 146 | P | 80 | Confident | 72.7 | Confident | 24 Ų | 24 | 52.7 Ų | 52.7 | 16% | 0.156 | 26% | 0.259 | C | S | . | . | trans | -57.7 | 148.8 | -177.8 | -26.9 | 34.7 | 0 | 0 | 0 | 110 | H144 T148 S149 L150 | H144-P146 WeakPolarHBondContact O-CD 3.12Å; P146-T148 PolarHBondContact O-N 3.04Å; P146-T148 VanDerWaalsContact O-N 3.1Å; P146-S149 WeakPolarHBondContact CD-OG 3.29Å; P146-S149 VanDerWaalsContact N-OG 3.11Å; P146-S149 WeakPolarHBondContact O-CA 3.41Å; P146-S149 WeakPolarHBondContact O-CB 3.2Å; P146-S149 PolarHBondContact O-N 2.9Å; P146-S149 PolarHBondContact O-OG 3.18Å; P146-L150 PolarHBondContact O-N 3.18Å | ||
| 147 | K | 87.6 | Confident | 74.9 | Confident | 40 Ų | 40 | 48.7 Ų | 48.7 | 17% | 0.174 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -56.7 | -33.6 | -178.4 | -67.2 | -178 | -177.9 | -174.3 | 0 | 111.6 | D9 I12 L14 L150 L151 | D9-K147 WeakPolarHBondContact O-CD 3.46Å; D9-K147 PolarHBondContact OD1-N 3.5Å; D9-K147 VanDerWaalsContact OD1-N 3.12Å; D9-K147 PolarHBondContact OD2-N 3.11Å; I12-K147 HydrophobicContact CB-CB 4.07Å; I12-K147 HydrophobicContact CB-CD 4.3Å; I12-K147 HydrophobicContact CD1-CB 4.22Å; I12-K147 HydrophobicContact CG2-CB 4.17Å; I12-K147 PolarHBondContact O-NZ 3.05Å; L14-K147 HydrophobicContact CB-CD 4.5Å; L14-K147 WeakPolarHBondContact O-CD 3.34Å; L14-K147 WeakPolarHBondContact O-CE 3.47Å; L14-K147 PolarHBondContact O-NZ 3.44Å; K147-L150 PolarHBondContact O-N 3.03Å; K147-L151 VanDerWaalsContact O-CB 3.27Å; K147-L151 WeakPolarHBondContact O-CB 3.42Å; K147-L151 PolarHBondContact O-N 2.82Å |
| 148 | T | 89.1 | Confident | 77.2 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.5 | -43.3 | 175 | -50.3 | 0 | 0 | 0 | 0 | 111.6 | D9 I12 I130 P146 L151 A152 A425 | D9-T148 VanDerWaalsContact OD1-CB 3.31Å; D9-T148 WeakPolarHBondContact OD1-CB 3.41Å; D9-T148 PolarHBondContact OD1-N 2.84Å; D9-T148 PolarHBondContact OD1-OG1 3.29Å; I12-T148 HydrophobicContact CD1-CG2 4.43Å; I12-T148 WeakPolarHBondContact CD1-OG1 3.4Å; I130-T148 HydrophobicContact CD1-CG2 3.81Å; P146-T148 PolarHBondContact O-N 3.04Å; P146-T148 VanDerWaalsContact O-N 3.1Å; T148-L151 PolarHBondContact O-N 3.29Å; T148-A152 WeakPolarHBondContact O-CB 3.42Å; T148-A152 PolarHBondContact O-N 3.42Å; T148-A425 HydrophobicContact CG2-CB 4.12Å |
| 149 | S | 91.4 | Very high | 79.4 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66.2 | -41.5 | 177.8 | 74.1 | 0 | 0 | 0 | 0 | 111.8 | P146 A152 A153 | P146-S149 WeakPolarHBondContact CD-OG 3.29Å; P146-S149 VanDerWaalsContact N-OG 3.11Å; P146-S149 WeakPolarHBondContact O-CA 3.41Å; P146-S149 WeakPolarHBondContact O-CB 3.2Å; P146-S149 PolarHBondContact O-N 2.9Å; P146-S149 PolarHBondContact O-OG 3.18Å; S149-A152 PolarHBondContact O-N 2.89Å; S149-A153 VanDerWaalsContact O-CB 3.31Å; S149-A153 WeakPolarHBondContact O-CB 3.36Å; S149-A153 PolarHBondContact O-N 3.29Å |
| 150 | L | 92.8 | Very high | 81.8 | Confident | 4 Ų | 4 | 27.7 Ų | 27.7 | 2% | 0.021 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -62.7 | -46.9 | 175.1 | 173.4 | 60.6 | 0 | 0 | 0 | 110.2 | L14 L17 A22 V26 P146 K147 A153 I154 | L14-L150 HydrophobicContact CD1-CD2 4.37Å; L14-L150 HydrophobicContact CD1-CG 4.42Å; L17-L150 HydrophobicContact CD1-CD2 3.8Å; L17-L150 HydrophobicContact CG-CD2 4.34Å; A22-L150 HydrophobicContact CB-CD1 4.03Å; V26-L150 HydrophobicContact CG2-CD1 3.76Å; P146-L150 PolarHBondContact O-N 3.18Å; K147-L150 PolarHBondContact O-N 3.03Å; L150-A153 PolarHBondContact O-N 3.35Å; L150-I154 HydrophobicContact CD1-CD1 3.86Å; L150-I154 HydrophobicContact CD1-CG1 4.1Å; L150-I154 HydrophobicContact CG-CD1 3.92Å; L150-I154 WeakPolarHBondContact O-CB 3.32Å; L150-I154 VanDerWaalsContact O-CG1 3.29Å; L150-I154 WeakPolarHBondContact O-CG1 3.19Å; L150-I154 PolarHBondContact O-N 3.4Å |
| 151 | L | 94.3 | Very high | 84.3 | Confident | 6 Ų | 6 | 18.3 Ų | 18.3 | 3% | 0.031 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -61.4 | -45.9 | 178.6 | -176 | 59.7 | 0 | 0 | 0 | 111.8 | I12 L14 K147 T148 A153 I154 F155 A425 L446 | I12-L151 HydrophobicContact CG2-CD2 4.11Å; L14-L151 HydrophobicContact CD1-CB 3.77Å; L14-L151 HydrophobicContact CD1-CD1 4.05Å; L14-L151 HydrophobicContact CD1-CG 4.41Å; K147-L151 VanDerWaalsContact O-CB 3.27Å; K147-L151 WeakPolarHBondContact O-CB 3.42Å; K147-L151 PolarHBondContact O-N 2.82Å; T148-L151 PolarHBondContact O-N 3.29Å; L151-A153 VanDerWaalsContact C-N 3.33Å; L151-A153 PolarHBondContact O-N 3.33Å; L151-I154 PolarHBondContact O-N 2.88Å; L151-F155 HydrophobicContact CD1-CD2 3.95Å; L151-F155 HydrophobicContact CD1-CE2 3.57Å; L151-F155 HydrophobicContact CD1-CZ 4.39Å; L151-F155 HydrophobicContact CD2-CE2 4.28Å; L151-F155 HydrophobicContact CG-CD2 3.93Å; L151-F155 HydrophobicContact CG-CE2 3.75Å; L151-F155 VanDerWaalsContact O-CD2 3.28Å; L151-F155 WeakPolarHBondContact O-CD2 3.49Å; L151-F155 PolarHBondContact O-N 3.31Å; L151-A425 HydrophobicContact CB-CB 4.27Å; L151-A425 HydrophobicContact CD2-CB 4.17Å; L151-A425 HydrophobicContact CG-CB 4.11Å; L151-L446 HydrophobicContact CD1-CD1 3.87Å; L151-L446 HydrophobicContact CD1-CD2 4.18Å; L151-L446 HydrophobicContact CD2-CD1 4.46Å |
| 152 | A | 95.6 | Very high | 86.7 | Confident | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -61.6 | -41 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | F126 T148 S149 F155 F156 A425 | F126-A152 HydrophobicContact CD2-CB 3.54Å; F126-A152 HydrophobicContact CE2-CB 3.65Å; F126-A152 HydrophobicContact CG-CB 4.1Å; F126-A152 HydrophobicContact CZ-CB 4.29Å; T148-A152 WeakPolarHBondContact O-CB 3.42Å; T148-A152 PolarHBondContact O-N 3.42Å; S149-A152 PolarHBondContact O-N 2.89Å; A152-F155 PolarHBondContact O-N 3.43Å; A152-F156 WeakPolarHBondContact O-CB 3.47Å; A152-F156 PolarHBondContact O-N 2.95Å; A152-A425 HydrophobicContact CB-CB 3.77Å |
| 153 | A | 96.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -68.9 | -36.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | V26 I123 F126 S149 L150 L151 F156 A157 | V26-A153 HydrophobicContact CG1-CB 4.35Å; V26-A153 HydrophobicContact CG2-CB 4Å; I123-A153 HydrophobicContact CB-CB 4.49Å; I123-A153 HydrophobicContact CG1-CB 3.5Å; F126-A153 HydrophobicContact CD2-CB 4.31Å; F126-A153 HydrophobicContact CE2-CB 4.43Å; S149-A153 VanDerWaalsContact O-CB 3.31Å; S149-A153 WeakPolarHBondContact O-CB 3.36Å; S149-A153 PolarHBondContact O-N 3.29Å; L150-A153 PolarHBondContact O-N 3.35Å; L151-A153 VanDerWaalsContact C-N 3.33Å; L151-A153 PolarHBondContact O-N 3.33Å; A153-F156 PolarHBondContact O-N 3Å; A153-A157 VanDerWaalsContact O-CB 3.3Å; A153-A157 WeakPolarHBondContact O-CB 3.46Å; A153-A157 PolarHBondContact O-N 3.34Å |
| 154 | I | 97.3 | Very high | 91.2 | Very high | 13 Ų | 13 | 13 Ų | 13 | 7% | 0.067 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -63.4 | -45.5 | 172.5 | -72 | 170.7 | 0 | 0 | 0 | 110.3 | T25 V26 V29 L150 L151 F156 A157 A158 L450 | T25-I154 HydrophobicContact CG2-CD1 4.45Å; V26-I154 HydrophobicContact CG2-CG1 3.87Å; V29-I154 HydrophobicContact CG1-CG2 4.5Å; L150-I154 HydrophobicContact CD1-CD1 3.86Å; L150-I154 HydrophobicContact CD1-CG1 4.1Å; L150-I154 HydrophobicContact CG-CD1 3.92Å; L150-I154 WeakPolarHBondContact O-CB 3.32Å; L150-I154 VanDerWaalsContact O-CG1 3.29Å; L150-I154 WeakPolarHBondContact O-CG1 3.19Å; L150-I154 PolarHBondContact O-N 3.4Å; L151-I154 PolarHBondContact O-N 2.88Å; I154-F156 VanDerWaalsContact C-N 3.33Å; I154-F156 PolarHBondContact O-N 2.94Å; I154-A157 PolarHBondContact O-N 3.45Å; I154-A158 WeakPolarHBondContact O-CB 3.24Å; I154-A158 PolarHBondContact O-N 3.5Å; I154-L450 HydrophobicContact CG2-CD1 3.46Å; I154-L450 VanDerWaalsContact CG2-CD1 3.46Å; I154-L450 HydrophobicContact CG2-CD2 3.71Å; I154-L450 HydrophobicContact CG2-CG 4.25Å |
| 155 | F | 97.8 | Very high | 93.2 | Very high | 1 Ų | 1 | 5.6 Ų | 5.6 | 0% | 0.004 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -63 | -40.3 | 176 | -84 | -57.7 | 0 | 0 | 0 | 112.4 | L151 A152 A158 H159 C421 L424 L428 L446 L449 Y453 | L151-F155 HydrophobicContact CD1-CD2 3.95Å; L151-F155 HydrophobicContact CD1-CE2 3.57Å; L151-F155 HydrophobicContact CD1-CZ 4.39Å; L151-F155 HydrophobicContact CD2-CE2 4.28Å; L151-F155 HydrophobicContact CG-CD2 3.93Å; L151-F155 HydrophobicContact CG-CE2 3.75Å; L151-F155 VanDerWaalsContact O-CD2 3.28Å; L151-F155 WeakPolarHBondContact O-CD2 3.49Å; L151-F155 PolarHBondContact O-N 3.31Å; A152-F155 PolarHBondContact O-N 3.43Å; F155-A158 CarbonylContact O-C 3.45Å; F155-A158 PolarHBondContact O-N 2.73Å; F155-H159 WeakPolarHBondContact O-CB 3.33Å; F155-H159 PolarHBondContact O-N 3.04Å; F155-C421 HydrophobicContact CB-CB 4.1Å; F155-L424 HydrophobicContact CD1-CD2 4.02Å; F155-L424 HydrophobicContact CD2-CD2 4.07Å; F155-L424 HydrophobicContact CD2-CG 4.46Å; F155-L424 HydrophobicContact CE1-CD2 4.05Å; F155-L424 HydrophobicContact CE2-CD2 4.08Å; F155-L424 HydrophobicContact CE2-CG 4.3Å; F155-L424 HydrophobicContact CG-CD2 4.03Å; F155-L424 HydrophobicContact CZ-CD2 4.06Å; F155-L428 HydrophobicContact CE2-CD1 3.57Å; F155-L428 HydrophobicContact CZ-CD1 3.75Å; F155-L446 HydrophobicContact CE2-CD1 3.77Å; F155-L446 HydrophobicContact CZ-CD1 3.46Å; F155-L446 VanDerWaalsContact CZ-CD1 3.46Å; F155-L449 HydrophobicContact CE1-CD2 3.84Å; F155-L449 HydrophobicContact CE1-CG 4.02Å; F155-L449 HydrophobicContact CZ-CD2 3.95Å; F155-Y453 HydrophobicContact CD1-CD2 4.06Å; F155-Y453 HydrophobicContact CD1-CE2 4.04Å |
| 156 | F | 98.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 4.8 Ų | 4.8 | 0% | 0 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -61.4 | -51 | 174.2 | -177.1 | -92 | 0 | 0 | 0 | 110.5 | I118 M122 A152 A153 I154 A158 H159 H162 Y414 S417 A418 C421 | I118-F156 HydrophobicContact CG2-CE1 4.01Å; I118-F156 HydrophobicContact CG2-CZ 4.31Å; M122-F156 HydrophobicContact CE-CE2 4.43Å; M122-F156 HydrophobicContact CE-CZ 4.37Å; M122-F156 HydrophobicContact CG-CD1 4.04Å; M122-F156 HydrophobicContact CG-CE1 4.09Å; M122-F156 HydrophobicContact CG-CG 4.39Å; M122-F156 HydrophobicContact CG-CZ 4.48Å; A152-F156 WeakPolarHBondContact O-CB 3.47Å; A152-F156 PolarHBondContact O-N 2.95Å; A153-F156 PolarHBondContact O-N 3Å; I154-F156 VanDerWaalsContact C-N 3.33Å; I154-F156 PolarHBondContact O-N 2.94Å; F156-A158 PolarHBondContact O-N 3.33Å; F156-A158 VanDerWaalsContact O-N 3.17Å; F156-H159 PolarHBondContact O-N 3.2Å; F156-H159 VanDerWaalsContact O-N 3.16Å; F156-H162 AromaticContact CD1-CE1 3.96Å; F156-H162 AromaticContact CD2-CE1 3.65Å; F156-H162 AromaticContact CE1-CE1 3.85Å; F156-H162 AromaticContact CE2-CE1 3.55Å; F156-H162 AromaticContact CE2-NE2 3.74Å; F156-H162 AromaticContact CG-CE1 3.87Å; F156-H162 AromaticContact CZ-CE1 3.64Å; F156-H162 PolarHBondContact O-CE1 3.02Å; F156-H162 PolarHBondContact O-ND1 2.81Å; F156-Y414 WeakPolarHBondContact CE2-O 3.32Å; F156-Y414 HydrophobicContact CZ-CD1 4.47Å; F156-Y414 AromaticContact CZ-CE1 3.93Å; F156-Y414 HydrophobicContact CZ-CE1 3.93Å; F156-S417 WeakPolarHBondContact CE2-OG 3.49Å; F156-A418 HydrophobicContact CD2-CB 3.95Å; F156-A418 HydrophobicContact CE2-CB 3.88Å; F156-C421 HydrophobicContact CB-CB 4.33Å; F156-C421 PolarHBondContact N-SG 2.95Å |
| 157 | A | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 3.6 Ų | 3.6 | 0% | 0 | 2% | 0.017 | C | C | . | . | H | α-helix | trans | -58.3 | -30 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | V26 V29 A30 H115 A153 I154 | V26-A157 HydrophobicContact CG1-CB 4.02Å; V29-A157 HydrophobicContact CG1-CB 4.21Å; A30-A157 HydrophobicContact CB-CB 4.05Å; H115-A157 PolarHBondContact NE2-O 2.65Å; A153-A157 VanDerWaalsContact O-CB 3.3Å; A153-A157 WeakPolarHBondContact O-CB 3.46Å; A153-A157 PolarHBondContact O-N 3.34Å; I154-A157 PolarHBondContact O-N 3.45Å |
| 158 | A | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 1.7 Ų | 1.7 | 0% | 0 | 1% | 0.009 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | 8.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | V29 I154 F155 F156 P160 L450 Y453 V454 C457 | V29-A158 HydrophobicContact CG1-CB 3.97Å; I154-A158 WeakPolarHBondContact O-CB 3.24Å; I154-A158 PolarHBondContact O-N 3.5Å; F155-A158 CarbonylContact O-C 3.45Å; F155-A158 PolarHBondContact O-N 2.73Å; F156-A158 PolarHBondContact O-N 3.33Å; F156-A158 VanDerWaalsContact O-N 3.17Å; A158-P160 VanDerWaalsContact O-CD 3.29Å; A158-P160 WeakPolarHBondContact O-CD 3.12Å; A158-L450 HydrophobicContact CB-CD1 3.82Å; A158-Y453 WeakPolarHBondContact O-CB 3.4Å; A158-V454 HydrophobicContact CB-CG2 4.11Å; A158-C457 PolarHBondContact O-SG 2.66Å |
| 159 | H | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 1.7 Ų | 1.7 | 0% | 0 | 1% | 0.009 | C | C | . | . | trans | -75.8 | 121.4 | -172.8 | -158.5 | -71.8 | 0 | 0 | 0 | 111.7 | F155 F156 V161 H162 L328 Y420 Y453 | F155-H159 WeakPolarHBondContact O-CB 3.33Å; F155-H159 PolarHBondContact O-N 3.04Å; F156-H159 PolarHBondContact O-N 3.2Å; F156-H159 VanDerWaalsContact O-N 3.16Å; H159-V161 WeakPolarHBondContact ND1-CB 3.47Å; H159-V161 WeakPolarHBondContact ND1-CG1 3.33Å; H159-V161 PolarHBondContact ND1-N 3.31Å; H159-V161 PolarHBondContact O-N 2.79Å; H159-V161 VanDerWaalsContact O-N 3.1Å; H159-H162 WeakPolarHBondContact O-CB 3.3Å; H159-H162 PolarHBondContact O-N 3.16Å; H159-L328 PolarHBondContact NE2-O 3.26Å; H159-Y420 AromaticContact CD2-CE1 3.93Å; H159-Y420 AromaticContact NE2-CD1 3.74Å; H159-Y420 AromaticContact NE2-CE1 3.54Å; H159-Y453 AromaticContact CD2-CE2 3.84Å | ||
| 160 | P | 97.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 2.4 Ų | 2.4 | 0% | 0 | 1% | 0.013 | C | C | . | . | G | 310 helix | trans | -64.4 | -22.5 | -173.9 | -21.9 | 32.4 | 0 | 0 | 0 | 115.5 | A158 H162 T163 P331 L334 Y453 R456 C457 | A158-P160 VanDerWaalsContact O-CD 3.29Å; A158-P160 WeakPolarHBondContact O-CD 3.12Å; P160-H162 PolarHBondContact O-N 3.35Å; P160-H162 VanDerWaalsContact O-N 3.1Å; P160-T163 WeakPolarHBondContact O-CB 3.31Å; P160-T163 PolarHBondContact O-N 3.36Å; P160-T163 VanDerWaalsContact O-N 3.07Å; P160-T163 PolarHBondContact O-OG1 3.42Å; P160-P331 HydrophobicContact CB-CB 3.95Å; P160-P331 HydrophobicContact CB-CG 4.04Å; P160-P331 HydrophobicContact CG-CB 4.18Å; P160-P331 HydrophobicContact CG-CG 3.7Å; P160-L334 HydrophobicContact CB-CD1 3.98Å; P160-Y453 HydrophobicContact CG-CD1 4.49Å; P160-Y453 HydrophobicContact CG-CG 4.38Å; P160-R456 HydrophobicContact CB-CB 3.94Å; P160-R456 HydrophobicContact CG-CB 3.54Å; P160-C457 WeakPolarHBondContact CA-SG 3.4Å |
| 161 | V | 96.8 | Very high | 97 | Very high | 0 Ų | 0 | 2.3 Ų | 2.3 | 0% | 0 | 1% | 0.013 | C | C | . | . | G | 310 helix | trans | -60 | -14.9 | 172.3 | 86.9 | 0 | 0 | 0 | 0 | 113.9 | H159 L328 E410 L413 | H159-V161 WeakPolarHBondContact ND1-CB 3.47Å; H159-V161 WeakPolarHBondContact ND1-CG1 3.33Å; H159-V161 PolarHBondContact ND1-N 3.31Å; H159-V161 PolarHBondContact O-N 2.79Å; H159-V161 VanDerWaalsContact O-N 3.1Å; V161-L328 HydrophobicContact CG1-CD2 4.35Å; V161-E410 HydrophobicContact CG2-CB 4.04Å; V161-E410 WeakPolarHBondContact O-CB 3.35Å; V161-L413 HydrophobicContact CG1-CB 4.42Å; V161-L413 HydrophobicContact CG2-CB 3.82Å; V161-L413 HydrophobicContact CG2-CD1 3.86Å; V161-L413 HydrophobicContact CG2-CG 4.43Å |
| 162 | H | 97.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 2 Ų | 2 | 0% | 0 | 1% | 0.012 | C | C | . | . | G | 310 helix | trans | -79.7 | -10.8 | 176.8 | -63.3 | 172.2 | 0 | 0 | 0 | 112.9 | F34 H115 F156 H159 P160 E164 S165 V166 Y414 S417 | F34-H162 HydrophobicContact CZ-CB 3.95Å; H115-H162 AromaticContact CE1-ND1 3.25Å; H115-H162 PolarHBondContact CE1-ND1 3.47Å; H115-H162 VanDerWaalsContact CE1-ND1 3.25Å; F156-H162 AromaticContact CD1-CE1 3.96Å; F156-H162 AromaticContact CD2-CE1 3.65Å; F156-H162 AromaticContact CE1-CE1 3.85Å; F156-H162 AromaticContact CE2-CE1 3.55Å; F156-H162 AromaticContact CE2-NE2 3.74Å; F156-H162 AromaticContact CG-CE1 3.87Å; F156-H162 AromaticContact CZ-CE1 3.64Å; F156-H162 PolarHBondContact O-CE1 3.02Å; F156-H162 PolarHBondContact O-ND1 2.81Å; H159-H162 WeakPolarHBondContact O-CB 3.3Å; H159-H162 PolarHBondContact O-N 3.16Å; P160-H162 PolarHBondContact O-N 3.35Å; P160-H162 VanDerWaalsContact O-N 3.1Å; H162-E164 PolarHBondContact O-N 2.95Å; H162-S165 PolarHBondContact O-N 3.35Å; H162-V166 HydrophobicContact CB-CG2 4.21Å; H162-V166 WeakPolarHBondContact O-CG2 3.41Å; H162-V166 PolarHBondContact O-N 3.45Å; H162-Y414 HydrophobicContact CB-CD2 3.98Å; H162-Y414 HydrophobicContact CB-CE2 3.85Å; H162-Y414 AromaticContact CD2-CD2 3.42Å; H162-Y414 VanDerWaalsContact CD2-CD2 3.42Å; H162-Y414 WeakPolarHBondContact CD2-CD2 3.36Å; H162-Y414 AromaticContact CD2-CE2 3.79Å; H162-Y414 AromaticContact CG-CD2 3.66Å; H162-Y414 AromaticContact CG-CE2 3.59Å; H162-Y414 AromaticContact ND1-CE2 3.9Å; H162-S417 PolarHBondContact NE2-OG 2.96Å |
| 163 | T | 96.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 2 Ų | 2 | 0% | 0 | 1% | 0.012 | C | C | . | . | H | α-helix | trans | -61.1 | -43.6 | -168.3 | -50.8 | 0 | 0 | 0 | 0 | 113.1 | F34 P160 S165 V166 A167 R460 S461 | F34-T163 HydrophobicContact CE1-CG2 4.34Å; P160-T163 WeakPolarHBondContact O-CB 3.31Å; P160-T163 PolarHBondContact O-N 3.36Å; P160-T163 VanDerWaalsContact O-N 3.07Å; P160-T163 PolarHBondContact O-OG1 3.42Å; T163-S165 VanDerWaalsContact C-N 3.31Å; T163-S165 PolarHBondContact O-N 3Å; T163-V166 PolarHBondContact O-N 2.82Å; T163-A167 HydrophobicContact CG2-CB 4.04Å; T163-A167 VanDerWaalsContact O-CB 3.24Å; T163-A167 WeakPolarHBondContact O-CB 3.39Å; T163-A167 PolarHBondContact O-N 2.8Å; T163-R460 HydrophobicContact CG2-CB 3.79Å; T163-R460 HydrophobicContact CG2-CG 3.46Å; T163-R460 VanDerWaalsContact CG2-CG 3.46Å; T163-S461 WeakPolarHBondContact CG2-OG 3.35Å |
| 164 | E | 95.5 | Very high | 97.3 | Very high | 12 Ų | 12 | 2.7 Ų | 2.7 | 6% | 0.056 | 2% | 0.015 | C | C | . | . | H | α-helix | trans | -56.6 | -44.4 | 173.2 | -179 | -177.1 | 178 | 0 | 0 | 112 | H162 V166 G168 E410 R411 W464 | H162-E164 PolarHBondContact O-N 2.95Å; E164-V166 PolarHBondContact O-N 2.92Å; E164-G168 WeakPolarHBondContact O-CA 3.37Å; E164-G168 PolarHBondContact O-N 3.21Å; E164-E410 HydrophobicContact CB-CB 3.84Å; E164-E410 HydrophobicContact CB-CG 4.46Å; E164-E410 WeakPolarHBondContact OE2-CB 2.99Å; E164-E410 PolarHBondContact OE2-N 3.25Å; E164-R411 HydrophobicContact CG-CB 4.27Å; E164-R411 VanDerWaalsContact OE1-CD 3.23Å; E164-R411 WeakPolarHBondContact OE1-CD 3.22Å; E164-R411 WeakPolarHBondContact OE1-CG 3.45Å; E164-R411 IonicContact OE1-CZ 3.95Å; E164-R411 IonicContact OE1-NE 2.68Å; E164-R411 IonicContact OE1-NH1 2.79Å; E164-R411 PolarHBondContact OE2-N 2.85Å; E164-W464 HydrophobicContact CB-CH2 4.36Å; E164-W464 HydrophobicContact CB-CZ2 3.77Å; E164-W464 HydrophobicContact CG-CH2 3.73Å; E164-W464 HydrophobicContact CG-CZ2 3.63Å |
| 165 | S | 96.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 2 Ų | 2 | 0% | 0 | 1% | 0.012 | C | C | . | . | H | α-helix | trans | -69.7 | -29.7 | -178.5 | -62.5 | 0 | 0 | 0 | 0 | 113.6 | H162 T163 G171 L175 | H162-S165 PolarHBondContact O-N 3.35Å; T163-S165 VanDerWaalsContact C-N 3.31Å; T163-S165 PolarHBondContact O-N 3Å; S165-G171 CarbonylContact O-C 3.48Å; S165-G171 VanDerWaalsContact O-C 3.25Å; S165-G171 WeakPolarHBondContact O-CA 3.41Å; S165-L175 WeakPolarHBondContact O-CD1 3.44Å |
| 166 | V | 97.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 2.7 Ų | 2.7 | 0% | 0 | 2% | 0.015 | C | C | . | . | H | α-helix | trans | -94.6 | -49.3 | -176.5 | -175 | 0 | 0 | 0 | 0 | 112 | F34 N111 I112 H115 H162 T163 E164 L175 | F34-V166 HydrophobicContact CB-CG1 3.66Å; F34-V166 HydrophobicContact CD1-CB 3.85Å; F34-V166 HydrophobicContact CD1-CG1 3.88Å; F34-V166 HydrophobicContact CD1-CG2 4.4Å; F34-V166 HydrophobicContact CD2-CB 4.4Å; F34-V166 HydrophobicContact CD2-CG1 3.98Å; F34-V166 HydrophobicContact CD2-CG2 4.34Å; F34-V166 HydrophobicContact CE1-CB 4.19Å; F34-V166 HydrophobicContact CE1-CG2 4.37Å; F34-V166 HydrophobicContact CE2-CG2 4.28Å; F34-V166 HydrophobicContact CG-CB 4.01Å; F34-V166 HydrophobicContact CG-CG1 3.55Å; F34-V166 HydrophobicContact CG-CG2 4.44Å; F34-V166 HydrophobicContact CZ-CG2 4.32Å; N111-V166 VanDerWaalsContact CB-O 3.31Å; N111-V166 WeakPolarHBondContact CB-O 3.45Å; I112-V166 HydrophobicContact CG1-CG1 4.05Å; H115-V166 HydrophobicContact CB-CG1 4.12Å; H115-V166 HydrophobicContact CB-CG2 3.69Å; H162-V166 HydrophobicContact CB-CG2 4.21Å; H162-V166 WeakPolarHBondContact O-CG2 3.41Å; H162-V166 PolarHBondContact O-N 3.45Å; T163-V166 PolarHBondContact O-N 2.82Å; E164-V166 PolarHBondContact O-N 2.92Å; V166-L175 HydrophobicContact CG2-CD2 4.17Å |
| 167 | A | 97.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 2.8 Ų | 2.8 | 0% | 0 | 2% | 0.016 | C | C | . | . | H | α-helix | trans | -78.2 | -38.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | H108 T163 W464 | H108-A167 PolarHBondContact CE1-O 3.48Å; H108-A167 PolarHBondContact ND1-O 2.83Å; T163-A167 HydrophobicContact CG2-CB 4.04Å; T163-A167 VanDerWaalsContact O-CB 3.24Å; T163-A167 WeakPolarHBondContact O-CB 3.39Å; T163-A167 PolarHBondContact O-N 2.8Å; A167-W464 HydrophobicContact CB-CB 3.61Å; A167-W464 HydrophobicContact CB-CG 3.86Å |
| 168 | G | 96 | Very high | 97.4 | Very high | 0 Ų | 0 | 2.8 Ų | 2.8 | 0% | 0 | 2% | 0.016 | C | C | . | . | S | Bend | trans | -74.3 | 131 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | N111 E164 V170 G171 | N111-G168 PolarHBondContact ND2-O 2.93Å; N111-G168 VanDerWaalsContact ND2-O 3.13Å; E164-G168 WeakPolarHBondContact O-CA 3.37Å; E164-G168 PolarHBondContact O-N 3.21Å; G168-V170 PolarHBondContact O-N 2.96Å; G168-G171 WeakPolarHBondContact O-CA 3.27Å; G168-G171 PolarHBondContact O-N 3.24Å |
| 169 | V | 97.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 4 Ų | 4 | 0% | 0 | 2% | 0.022 | C | C | . | . | G | 310 helix | trans | -66.9 | -39.9 | -174.4 | -177.2 | 0 | 0 | 0 | 0 | 111.3 | F42 D46 I50 F92 F107 H108 N111 G171 R172 | F42-V169 HydrophobicContact CD1-CG2 4.19Å; F42-V169 HydrophobicContact CE1-CG2 4.25Å; D46-V169 WeakPolarHBondContact OD1-CA 3.28Å; D46-V169 WeakPolarHBondContact OD1-CB 3.24Å; D46-V169 PolarHBondContact OD1-N 3.33Å; D46-V169 VanDerWaalsContact OD1-N 3.11Å; D46-V169 PolarHBondContact OD2-N 3.4Å; I50-V169 HydrophobicContact CD1-CB 3.48Å; I50-V169 VanDerWaalsContact CD1-CB 3.48Å; I50-V169 HydrophobicContact CD1-CG1 3.21Å; I50-V169 HydrophobicContact CD1-CG2 4.37Å; F92-V169 HydrophobicContact CD1-CG1 4.44Å; F92-V169 HydrophobicContact CE1-CG1 3.89Å; F107-V169 HydrophobicContact CB-CB 4.5Å; F107-V169 HydrophobicContact CB-CG1 3.6Å; F107-V169 HydrophobicContact CB-CG2 4.01Å; F107-V169 HydrophobicContact CD1-CG1 3.76Å; F107-V169 HydrophobicContact CG-CG1 4.09Å; H108-V169 WeakPolarHBondContact CE1-CG2 3.04Å; N111-V169 WeakPolarHBondContact ND2-CA 3.27Å; N111-V169 PolarHBondContact ND2-O 3.49Å; N111-V169 VanDerWaalsContact ND2-O 3.13Å; V169-G171 PolarHBondContact O-N 2.88Å; V169-G171 VanDerWaalsContact O-N 3.1Å; V169-R172 VanDerWaalsContact O-CB 3.26Å; V169-R172 WeakPolarHBondContact O-CB 3.43Å; V169-R172 PolarHBondContact O-N 3.27Å |
| 170 | V | 96.4 | Very high | 97.5 | Very high | 14 Ų | 14 | 6.3 Ų | 6.3 | 9% | 0.085 | 3% | 0.032 | C | C | . | . | G | 310 helix | trans | -55.9 | -24.8 | 173.4 | -72.3 | 0 | 0 | 0 | 0 | 113.7 | D45 D46 A49 F70 G168 R172 A173 | D45-V170 HydrophobicContact CB-CG1 4.14Å; D45-V170 HydrophobicContact CB-CG2 3.82Å; D46-V170 WeakPolarHBondContact OD1-CG1 3.32Å; D46-V170 PolarHBondContact OD1-N 3.07Å; A49-V170 HydrophobicContact CB-CG1 3.32Å; F70-V170 HydrophobicContact CE1-CB 4.22Å; F70-V170 HydrophobicContact CE1-CG1 3.94Å; F70-V170 HydrophobicContact CZ-CB 3.99Å; F70-V170 HydrophobicContact CZ-CG1 3.92Å; G168-V170 PolarHBondContact O-N 2.96Å; V170-R172 PolarHBondContact O-N 3.32Å; V170-A173 PolarHBondContact O-N 3.49Å |
| 171 | G | 96.7 | Very high | 97.5 | Very high | 3 Ų | 3 | 6.7 Ų | 6.7 | 3% | 0.031 | 3% | 0.034 | C | C | . | . | G | 310 helix | trans | -58.9 | -14 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | S165 G168 V169 A173 D174 L175 | S165-G171 CarbonylContact O-C 3.48Å; S165-G171 VanDerWaalsContact O-C 3.25Å; S165-G171 WeakPolarHBondContact O-CA 3.41Å; G168-G171 WeakPolarHBondContact O-CA 3.27Å; G168-G171 PolarHBondContact O-N 3.24Å; V169-G171 PolarHBondContact O-N 2.88Å; V169-G171 VanDerWaalsContact O-N 3.1Å; G171-A173 PolarHBondContact O-N 2.9Å; G171-D174 WeakPolarHBondContact O-CA 3.3Å; G171-D174 VanDerWaalsContact O-CB 3.31Å; G171-D174 WeakPolarHBondContact O-CB 3.27Å; G171-D174 PolarHBondContact O-N 3.5Å; G171-L175 PolarHBondContact O-N 3.28Å |
| 172 | R | 98 | Very high | 97.5 | Very high | 0 Ų | 0 | 6.8 Ų | 6.8 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -52.4 | -30.9 | 171.6 | -168 | 175.2 | -64.2 | -177.3 | -3.1 | 113.4 | T88 T91 F92 N95 F107 N111 L114 V169 V170 D174 L175 L176 | T88-R172 HydrophobicContact CG2-CB 4.28Å; T88-R172 HydrophobicContact CG2-CG 4.44Å; T91-R172 PolarHBondContact O-NH1 3.32Å; T91-R172 WeakPolarHBondContact OG1-CD 3.41Å; F92-R172 HydrophobicContact CE1-CB 3.73Å; F92-R172 HydrophobicContact CE1-CG 4.22Å; F92-R172 HydrophobicContact CZ-CB 4Å; N95-R172 PolarHBondContact OD1-NH1 3.17Å; N95-R172 PolarHBondContact OD1-NH2 3.29Å; F107-R172 VanDerWaalsContact CA-NH2 3.26Å; F107-R172 PolarHBondContact O-NH2 2.71Å; N111-R172 WeakPolarHBondContact OD1-CB 3.42Å; N111-R172 PolarHBondContact OD1-NE 3.45Å; L114-R172 HydrophobicContact CD1-CG 4.14Å; V169-R172 VanDerWaalsContact O-CB 3.26Å; V169-R172 WeakPolarHBondContact O-CB 3.43Å; V169-R172 PolarHBondContact O-N 3.27Å; V170-R172 PolarHBondContact O-N 3.32Å; R172-D174 VanDerWaalsContact C-N 3.27Å; R172-D174 PolarHBondContact O-N 2.96Å; R172-L175 PolarHBondContact O-N 3.32Å; R172-L176 HydrophobicContact CG-CD1 3.8Å; R172-L176 HydrophobicContact CG-CG 3.99Å; R172-L176 WeakPolarHBondContact O-CB 3.34Å; R172-L176 WeakPolarHBondContact O-CG 3.46Å; R172-L176 PolarHBondContact O-N 3Å |
| 173 | A | 97.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -57.9 | -41.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | T88 V170 G171 C177 | T88-A173 HydrophobicContact CG2-CB 3.98Å; V170-A173 PolarHBondContact O-N 3.49Å; G171-A173 PolarHBondContact O-N 2.9Å; A173-C177 WeakPolarHBondContact O-CB 3.25Å; A173-C177 PolarHBondContact O-N 3.48Å; A173-C177 VanDerWaalsContact O-N 3.11Å |
| 174 | D | 97.6 | Very high | 97.6 | Very high | 13 Ų | 13 | 9.4 Ų | 9.4 | 7% | 0.07 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -69.7 | -44.5 | 177.5 | -72.2 | -67 | 0 | 0 | 0 | 112 | G171 R172 C177 A178 K221 | G171-D174 WeakPolarHBondContact O-CA 3.3Å; G171-D174 VanDerWaalsContact O-CB 3.31Å; G171-D174 WeakPolarHBondContact O-CB 3.27Å; G171-D174 PolarHBondContact O-N 3.5Å; R172-D174 VanDerWaalsContact C-N 3.27Å; R172-D174 PolarHBondContact O-N 2.96Å; D174-C177 PolarHBondContact O-N 3.43Å; D174-A178 VanDerWaalsContact O-CB 3.29Å; D174-A178 WeakPolarHBondContact O-CB 3.44Å; D174-A178 PolarHBondContact O-N 3.32Å; D174-K221 WeakPolarHBondContact OD1-CD 3.44Å; D174-K221 WeakPolarHBondContact OD1-CE 3.25Å; D174-K221 IonicContact OD1-NZ 3.44Å; D174-K221 PolarHBondContact OD1-NZ 3.21Å; D174-K221 IonicContact OD2-NZ 2.74Å; D174-K221 PolarHBondContact OD2-NZ 3.39Å |
| 175 | L | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -64.4 | -49.2 | -179.3 | -57.7 | 179.2 | 0 | 0 | 0 | 111.7 | N111 L114 H115 I118 S165 V166 G171 R172 C177 A178 L179 Y414 | N111-L175 HydrophobicContact CB-CD1 3.59Å; N111-L175 VanDerWaalsContact O-CD1 3.29Å; N111-L175 WeakPolarHBondContact O-CD1 3.37Å; L114-L175 HydrophobicContact CB-CB 4.09Å; L114-L175 HydrophobicContact CB-CD1 4.12Å; L114-L175 HydrophobicContact CD1-CB 4.28Å; H115-L175 HydrophobicContact CB-CD2 4.2Å; I118-L175 HydrophobicContact CD1-CB 3.92Å; I118-L175 HydrophobicContact CD1-CD2 4.17Å; I118-L175 WeakPolarHBondContact CD1-O 3.3Å; S165-L175 WeakPolarHBondContact O-CD1 3.44Å; V166-L175 HydrophobicContact CG2-CD2 4.17Å; G171-L175 PolarHBondContact O-N 3.28Å; R172-L175 PolarHBondContact O-N 3.32Å; L175-C177 PolarHBondContact O-N 3.44Å; L175-A178 PolarHBondContact O-N 3.2Å; L175-L179 WeakPolarHBondContact O-CB 3.13Å; L175-L179 PolarHBondContact O-N 3Å; L175-Y414 HydrophobicContact CD2-CE1 4.27Å; L175-Y414 HydrophobicContact CD2-CE2 3.67Å; L175-Y414 VanDerWaalsContact CD2-OH 3.29Å; L175-Y414 WeakPolarHBondContact CD2-OH 3.35Å |
| 176 | L | 98.6 | Very high | 97.5 | Very high | 15 Ų | 15 | 10.4 Ų | 10.4 | 8% | 0.079 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -64.4 | -41.5 | 177.7 | -69 | 173.7 | 0 | 0 | 0 | 111.7 | T88 T91 L114 R172 A178 L179 F180 C220 | T88-L176 HydrophobicContact CG2-CD1 4.43Å; T91-L176 HydrophobicContact CG2-CD1 3.63Å; L114-L176 HydrophobicContact CD1-CD2 3.95Å; L114-L176 HydrophobicContact CD1-CG 4.28Å; L114-L176 HydrophobicContact CD2-CD2 4.08Å; R172-L176 HydrophobicContact CG-CD1 3.8Å; R172-L176 HydrophobicContact CG-CG 3.99Å; R172-L176 WeakPolarHBondContact O-CB 3.34Å; R172-L176 WeakPolarHBondContact O-CG 3.46Å; R172-L176 PolarHBondContact O-N 3Å; L176-A178 VanDerWaalsContact C-N 3.34Å; L176-A178 PolarHBondContact O-N 2.98Å; L176-L179 PolarHBondContact O-N 3.27Å; L176-F180 WeakPolarHBondContact O-CD2 3.41Å; L176-F180 PolarHBondContact O-N 3.22Å; L176-C220 HydrophobicContact CB-CB 3.89Å |
| 177 | C | 98.4 | Very high | 97.3 | Very high | 1 Ų | 1 | 11.2 Ų | 11.2 | 1% | 0.007 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -57.1 | -48.6 | 173.7 | 179.8 | 0 | 0 | 0 | 0 | 110.9 | A173 D174 L175 L179 F180 F181 C220 K221 G224 | A173-C177 WeakPolarHBondContact O-CB 3.25Å; A173-C177 PolarHBondContact O-N 3.48Å; A173-C177 VanDerWaalsContact O-N 3.11Å; D174-C177 PolarHBondContact O-N 3.43Å; L175-C177 PolarHBondContact O-N 3.44Å; C177-L179 PolarHBondContact O-N 2.75Å; C177-F180 PolarHBondContact O-N 3.31Å; C177-F181 WeakPolarHBondContact O-CB 3.29Å; C177-F181 PolarHBondContact O-N 2.9Å; C177-C220 HydrophobicContact CB-CB 4.29Å; C177-K221 HydrophobicContact CB-CB 3.73Å; C177-G224 VanDerWaalsContact SG-CA 3.57Å; C177-G224 PolarHBondContact SG-N 3.16Å; C177-G224 VanDerWaalsContact SG-N 3.4Å |
| 178 | A | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -65.8 | -38.3 | 180 | 0 | 0 | 0 | 0 | 0 | 113.2 | I118 D174 L175 L176 F181 Q182 Y414 L415 | I118-A178 HydrophobicContact CD1-CB 4.33Å; I118-A178 HydrophobicContact CG2-CB 4.25Å; D174-A178 VanDerWaalsContact O-CB 3.29Å; D174-A178 WeakPolarHBondContact O-CB 3.44Å; D174-A178 PolarHBondContact O-N 3.32Å; L175-A178 PolarHBondContact O-N 3.2Å; L176-A178 VanDerWaalsContact C-N 3.34Å; L176-A178 PolarHBondContact O-N 2.98Å; A178-F181 WeakPolarHBondContact O-CB 3.24Å; A178-F181 PolarHBondContact O-N 3.24Å; A178-Q182 WeakPolarHBondContact O-CG 3.09Å; A178-Q182 PolarHBondContact O-N 3.09Å; A178-Y414 HydrophobicContact CB-CD1 3.86Å; A178-Y414 HydrophobicContact CB-CE1 3.53Å; A178-L415 HydrophobicContact CB-CD2 3.76Å; A178-L415 HydrophobicContact CB-CG 4.25Å |
| 179 | L | 98.6 | Very high | 96.8 | Very high | 25 Ų | 25 | 11.5 Ų | 11.5 | 13% | 0.131 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -60.1 | -53.9 | 174.4 | 178.1 | 62.4 | 0 | 0 | 0 | 111 | L114 V117 I118 L121 L175 L176 C177 F181 Q182 L183 | L114-L179 HydrophobicContact CD2-CD2 3.97Å; V117-L179 HydrophobicContact CG1-CD1 4.04Å; I118-L179 HydrophobicContact CD1-CB 4.26Å; I118-L179 HydrophobicContact CG1-CB 3.96Å; I118-L179 HydrophobicContact CG1-CD1 4.32Å; L121-L179 HydrophobicContact CD1-CD1 3.67Å; L175-L179 WeakPolarHBondContact O-CB 3.13Å; L175-L179 PolarHBondContact O-N 3Å; L176-L179 PolarHBondContact O-N 3.27Å; C177-L179 PolarHBondContact O-N 2.75Å; L179-F181 VanDerWaalsContact C-N 3.32Å; L179-F181 PolarHBondContact O-N 3Å; L179-Q182 PolarHBondContact O-N 3.46Å; L179-L183 HydrophobicContact CD1-CD1 4.16Å; L179-L183 HydrophobicContact CD1-CG 4.39Å; L179-L183 HydrophobicContact CG-CD1 4.14Å; L179-L183 VanDerWaalsContact O-CG 3.3Å; L179-L183 WeakPolarHBondContact O-CG 3.29Å; L179-L183 PolarHBondContact O-N 3.48Å |
| 180 | F | 98.7 | Very high | 96.3 | Very high | 50 Ų | 50 | 16 Ų | 16 | 22% | 0.219 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -67.5 | -32.9 | 179.8 | -71.1 | -57.9 | 0 | 0 | 0 | 112.7 | L176 C177 L183 S184 L213 A216 A217 | L176-F180 WeakPolarHBondContact O-CD2 3.41Å; L176-F180 PolarHBondContact O-N 3.22Å; C177-F180 PolarHBondContact O-N 3.31Å; F180-L183 HydrophobicContact CD1-CD1 4.47Å; F180-L183 PolarHBondContact O-N 2.99Å; F180-S184 WeakPolarHBondContact O-CB 3.39Å; F180-S184 PolarHBondContact O-N 2.92Å; F180-L213 HydrophobicContact CD1-CD2 3.85Å; F180-L213 HydrophobicContact CE1-CD2 4.36Å; F180-A216 HydrophobicContact CB-CB 4.44Å; F180-A216 HydrophobicContact CD1-CB 3.95Å; F180-A216 HydrophobicContact CD2-CB 4.03Å; F180-A216 HydrophobicContact CE1-CB 4.18Å; F180-A216 HydrophobicContact CE2-CB 4.26Å; F180-A216 HydrophobicContact CG-CB 3.89Å; F180-A216 HydrophobicContact CZ-CB 4.33Å; F180-A217 HydrophobicContact CB-CB 3.67Å |
| 181 | F | 98.4 | Very high | 95.8 | Very high | 7 Ų | 7 | 15.5 Ų | 15.5 | 3% | 0.031 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -57.8 | -50.6 | 171.6 | 178.9 | -74.4 | 0 | 0 | 0 | 111 | C177 A178 L179 S184 F185 T226 V227 V230 P393 L415 | C177-F181 WeakPolarHBondContact O-CB 3.29Å; C177-F181 PolarHBondContact O-N 2.9Å; A178-F181 WeakPolarHBondContact O-CB 3.24Å; A178-F181 PolarHBondContact O-N 3.24Å; L179-F181 VanDerWaalsContact C-N 3.32Å; L179-F181 PolarHBondContact O-N 3Å; F181-S184 WeakPolarHBondContact O-CB 3.38Å; F181-S184 PolarHBondContact O-N 3.22Å; F181-F185 PolarHBondContact O-N 2.8Å; F181-T226 WeakPolarHBondContact CE2-OG1 3.44Å; F181-V227 HydrophobicContact CD1-CG2 4.24Å; F181-V227 HydrophobicContact CD2-CB 3.52Å; F181-V227 HydrophobicContact CD2-CG2 4.1Å; F181-V227 HydrophobicContact CE1-CG2 4.24Å; F181-V227 HydrophobicContact CE2-CB 3.55Å; F181-V227 HydrophobicContact CE2-CG2 4.13Å; F181-V227 HydrophobicContact CG-CB 4.03Å; F181-V227 HydrophobicContact CG-CG2 4.14Å; F181-V227 HydrophobicContact CZ-CB 4.08Å; F181-V227 HydrophobicContact CZ-CG2 4.18Å; F181-V227 WeakPolarHBondContact O-CG2 3.1Å; F181-V230 HydrophobicContact CZ-CB 4.38Å; F181-V230 HydrophobicContact CZ-CG2 3.83Å; F181-P393 HydrophobicContact CZ-CG 4.44Å; F181-L415 HydrophobicContact CD1-CD2 4.02Å; F181-L415 HydrophobicContact CD2-CD1 3.93Å; F181-L415 HydrophobicContact CD2-CD2 4.5Å; F181-L415 HydrophobicContact CE1-CD2 4.38Å; F181-L415 HydrophobicContact CE2-CD1 4.27Å; F181-L415 HydrophobicContact CG-CD1 4.27Å; F181-L415 HydrophobicContact CG-CD2 4.11Å |
| 182 | Q | 97.3 | Very high | 95.1 | Very high | 2 Ų | 2 | 16.5 Ų | 16.5 | 1% | 0.009 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -66.2 | -43.3 | 179.4 | -71 | 176.2 | 13.2 | 0 | 0 | 111.9 | I118 M122 V125 A178 L179 S184 F185 L186 | I118-Q182 PolarHBondContact O-NE2 3.07Å; I118-Q182 PolarHBondContact O-OE1 2.9Å; M122-Q182 HydrophobicContact CE-CG 3.9Å; M122-Q182 VanDerWaalsContact CG-NE2 3.31Å; M122-Q182 HydrophobicContact SD-CG 4.45Å; V125-Q182 HydrophobicContact CG2-CB 4.4Å; V125-Q182 HydrophobicContact CG2-CG 4.3Å; A178-Q182 WeakPolarHBondContact O-CG 3.09Å; A178-Q182 PolarHBondContact O-N 3.09Å; L179-Q182 PolarHBondContact O-N 3.46Å; Q182-S184 VanDerWaalsContact C-N 3.28Å; Q182-S184 PolarHBondContact O-N 2.93Å; Q182-F185 PolarHBondContact O-N 3.31Å; Q182-L186 WeakPolarHBondContact O-CB 3.37Å; Q182-L186 VanDerWaalsContact O-CG 3.29Å; Q182-L186 WeakPolarHBondContact O-CG 3.38Å; Q182-L186 PolarHBondContact O-N 2.81Å |
| 183 | L | 97.8 | Very high | 93.7 | Very high | 56 Ų | 56 | 19.1 Ų | 19.1 | 29% | 0.293 | 10% | 0.095 | S | C | . | . | H | α-helix | trans | -62.2 | -38.4 | 176.8 | -67.2 | 175.2 | 0 | 0 | 0 | 111.4 | L121 L179 F180 L186 T187 L213 | L121-L183 HydrophobicContact CD1-CD2 4.2Å; L179-L183 HydrophobicContact CD1-CD1 4.16Å; L179-L183 HydrophobicContact CD1-CG 4.39Å; L179-L183 HydrophobicContact CG-CD1 4.14Å; L179-L183 VanDerWaalsContact O-CG 3.3Å; L179-L183 WeakPolarHBondContact O-CG 3.29Å; L179-L183 PolarHBondContact O-N 3.48Å; F180-L183 HydrophobicContact CD1-CD1 4.47Å; F180-L183 PolarHBondContact O-N 2.99Å; L183-L186 PolarHBondContact O-N 2.84Å; L183-T187 WeakPolarHBondContact O-CB 3.32Å; L183-T187 VanDerWaalsContact O-CG2 3.27Å; L183-T187 WeakPolarHBondContact O-CG2 3.29Å; L183-T187 PolarHBondContact O-N 3.2Å; L183-T187 PolarHBondContact O-OG1 3.4Å; L183-L213 HydrophobicContact CB-CD1 4.01Å; L183-L213 HydrophobicContact CB-CD2 4.38Å |
| 184 | S | 97.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.3 | -44.8 | 174 | 176.4 | 0 | 0 | 0 | 0 | 111.5 | F180 F181 Q182 T187 Y188 S210 | F180-S184 WeakPolarHBondContact O-CB 3.39Å; F180-S184 PolarHBondContact O-N 2.92Å; F181-S184 WeakPolarHBondContact O-CB 3.38Å; F181-S184 PolarHBondContact O-N 3.22Å; Q182-S184 VanDerWaalsContact C-N 3.28Å; Q182-S184 PolarHBondContact O-N 2.93Å; S184-T187 PolarHBondContact O-OG1 3.47Å; S184-T187 VanDerWaalsContact O-OG1 3.05Å; S184-Y188 WeakPolarHBondContact O-CB 3.42Å; S184-Y188 PolarHBondContact O-N 2.96Å; S184-S210 WeakPolarHBondContact CB-O 3.5Å; S184-S210 WeakPolarHBondContact O-CB 3.38Å; S184-S210 PolarHBondContact O-OG 2.86Å; S184-S210 PolarHBondContact OG-O 2.85Å; S184-S210 PolarHBondContact OG-OG 2.99Å; S184-S210 VanDerWaalsContact OG-OG 3.04Å |
| 185 | F | 96.6 | Very high | 89.3 | Confident | 4 Ų | 4 | 28.3 Ų | 28.3 | 2% | 0.018 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.9 | -47.8 | 175.3 | 174.5 | -97.4 | 0 | 0 | 0 | 112.6 | V125 I128 L129 F181 Q182 T187 Y188 C189 V227 V230 N231 F234 | V125-F185 HydrophobicContact CG1-CD1 4.08Å; V125-F185 HydrophobicContact CG1-CE1 4Å; V125-F185 HydrophobicContact CG2-CD1 4.21Å; I128-F185 HydrophobicContact CG2-CE1 4.28Å; I128-F185 HydrophobicContact CG2-CZ 4.24Å; L129-F185 HydrophobicContact CD2-CE1 4.39Å; L129-F185 HydrophobicContact CD2-CE2 4.12Å; L129-F185 HydrophobicContact CD2-CZ 3.56Å; L129-F185 HydrophobicContact CG-CE1 4.48Å; L129-F185 HydrophobicContact CG-CZ 4.1Å; F181-F185 PolarHBondContact O-N 2.8Å; Q182-F185 PolarHBondContact O-N 3.31Å; F185-T187 PolarHBondContact O-N 3.33Å; F185-Y188 WeakPolarHBondContact O-CB 3.4Å; F185-Y188 PolarHBondContact O-N 3.18Å; F185-C189 PolarHBondContact O-N 3.16Å; F185-C189 PolarHBondContact O-SG 3.19Å; F185-V227 HydrophobicContact CB-CG2 4.18Å; F185-V230 HydrophobicContact CD2-CG1 4.1Å; F185-V230 HydrophobicContact CE2-CG1 4.27Å; F185-N231 VanDerWaalsContact CD2-OD1 3.26Å; F185-N231 WeakPolarHBondContact CD2-OD1 3.48Å; F185-F234 HydrophobicContact CE2-CB 4.05Å; F185-F234 AromaticContact CE2-CD2 3.85Å; F185-F234 HydrophobicContact CE2-CD2 3.85Å; F185-F234 HydrophobicContact CE2-CE2 4.41Å; F185-F234 AromaticContact CE2-CG 3.91Å; F185-F234 HydrophobicContact CE2-CG 3.91Å; F185-F234 AromaticContact CZ-CD2 3.82Å; F185-F234 HydrophobicContact CZ-CD2 3.82Å; F185-F234 HydrophobicContact CZ-CE2 4.01Å; F185-F234 HydrophobicContact CZ-CG 4.32Å |
| 186 | L | 93.6 | Very high | 86.9 | Confident | 28 Ų | 28 | 31.6 Ų | 31.6 | 15% | 0.147 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.8 | -37.6 | -179.4 | -68.9 | 173.5 | 0 | 0 | 0 | 112.2 | L121 D124 V125 I128 Q182 L183 C189 K190 | L121-L186 HydrophobicContact CD2-CD1 4.32Å; D124-L186 HydrophobicContact CB-CD2 4.25Å; V125-L186 HydrophobicContact CG2-CD1 4.36Å; V125-L186 HydrophobicContact CG2-CD2 3.95Å; V125-L186 HydrophobicContact CG2-CG 4.1Å; I128-L186 HydrophobicContact CD1-CD2 3.65Å; Q182-L186 WeakPolarHBondContact O-CB 3.37Å; Q182-L186 VanDerWaalsContact O-CG 3.29Å; Q182-L186 WeakPolarHBondContact O-CG 3.38Å; Q182-L186 PolarHBondContact O-N 2.81Å; L183-L186 PolarHBondContact O-N 2.84Å; L186-C189 WeakPolarHBondContact O-CB 3.24Å; L186-C189 PolarHBondContact O-N 2.86Å; L186-K190 PolarHBondContact O-N 3.16Å |
| 187 | T | 93.5 | Very high | 84.4 | Confident | 18 Ų | 18 | 36.3 Ų | 36.3 | 11% | 0.11 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -72.1 | -34 | 174.7 | 51.9 | 0 | 0 | 0 | 0 | 112.3 | L183 S184 F185 C189 K190 W206 V209 L213 | L183-T187 WeakPolarHBondContact O-CB 3.32Å; L183-T187 VanDerWaalsContact O-CG2 3.27Å; L183-T187 WeakPolarHBondContact O-CG2 3.29Å; L183-T187 PolarHBondContact O-N 3.2Å; L183-T187 PolarHBondContact O-OG1 3.4Å; S184-T187 PolarHBondContact O-OG1 3.47Å; S184-T187 VanDerWaalsContact O-OG1 3.05Å; F185-T187 PolarHBondContact O-N 3.33Å; T187-C189 VanDerWaalsContact C-N 3.31Å; T187-C189 PolarHBondContact O-N 2.84Å; T187-K190 WeakPolarHBondContact O-CB 3.45Å; T187-K190 PolarHBondContact O-N 3.37Å; T187-W206 HydrophobicContact CG2-CZ3 4.4Å; T187-V209 HydrophobicContact CG2-CG1 4.2Å; T187-L213 HydrophobicContact CG2-CD1 3.84Å |
| 188 | Y | 93.1 | Very high | 82 | Confident | 1 Ų | 1 | 46 Ų | 46 | 0% | 0.004 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.5 | -42.1 | 171.1 | -175.5 | -104.2 | 0 | 0 | 0 | 111.5 | S184 F185 K190 A191 F192 V207 N231 F234 D235 M275 | S184-Y188 WeakPolarHBondContact O-CB 3.42Å; S184-Y188 PolarHBondContact O-N 2.96Å; F185-Y188 WeakPolarHBondContact O-CB 3.4Å; F185-Y188 PolarHBondContact O-N 3.18Å; Y188-K190 VanDerWaalsContact C-N 3.25Å; Y188-K190 PolarHBondContact O-N 3.33Å; Y188-A191 WeakPolarHBondContact O-CB 3.38Å; Y188-A191 PolarHBondContact O-N 3.16Å; Y188-F192 HydrophobicContact CD1-CE2 4.05Å; Y188-F192 AromaticContact CE1-CE2 3.67Å; Y188-F192 HydrophobicContact CE1-CE2 3.67Å; Y188-F192 HydrophobicContact CE1-CZ 4Å; Y188-F192 AromaticContact CZ-CE2 3.99Å; Y188-F192 AromaticContact CZ-CZ 3.93Å; Y188-V207 HydrophobicContact CD2-CG2 4.29Å; Y188-V207 HydrophobicContact CE2-CG1 4.4Å; Y188-V207 HydrophobicContact CE2-CG2 4.15Å; Y188-N231 HydrophobicContact CD1-CB 3.87Å; Y188-N231 HydrophobicContact CD2-CB 4.49Å; Y188-N231 HydrophobicContact CE1-CB 3.93Å; Y188-N231 HydrophobicContact CG-CB 4.17Å; Y188-F234 HydrophobicContact CD1-CD1 4.25Å; Y188-F234 HydrophobicContact CE1-CD1 4.09Å; Y188-D235 HydrophobicContact CE1-CB 4.44Å; Y188-D235 WeakPolarHBondContact OH-CB 3.32Å; Y188-D235 VanDerWaalsContact OH-CG 3.28Å; Y188-D235 PolarHBondContact OH-OD2 2.96Å; Y188-M275 HydrophobicContact CD2-SD 4.49Å; Y188-M275 HydrophobicContact CE2-CG 4.45Å; Y188-M275 HydrophobicContact CE2-SD 3.57Å; Y188-M275 VanDerWaalsContact CE2-SD 3.57Å |
| 189 | C | 89.3 | Confident | 79.7 | Confident | 4 Ų | 4 | 51 Ų | 51 | 3% | 0.027 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.1 | -35.8 | 175.8 | -68.2 | 0 | 0 | 0 | 0 | 112.8 | I128 L133 F185 L186 T187 A191 F192 | I128-C189 HydrophobicContact CD1-CB 4.48Å; L133-C189 HydrophobicContact CD2-CB 3.84Å; F185-C189 PolarHBondContact O-N 3.16Å; F185-C189 PolarHBondContact O-SG 3.19Å; L186-C189 WeakPolarHBondContact O-CB 3.24Å; L186-C189 PolarHBondContact O-N 2.86Å; T187-C189 VanDerWaalsContact C-N 3.31Å; T187-C189 PolarHBondContact O-N 2.84Å; C189-A191 PolarHBondContact O-N 3.39Å; C189-F192 PolarHBondContact O-N 3.4Å |
| 190 | K | 86.8 | Confident | 77.7 | Confident | 96 Ų | 96 | 51.5 Ų | 51.5 | 42% | 0.417 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -67.3 | -12.3 | 176 | -67.2 | -176.5 | 177.8 | -175.5 | 0 | 114 | L186 T187 Y188 F192 W206 | L186-K190 PolarHBondContact O-N 3.16Å; T187-K190 WeakPolarHBondContact O-CB 3.45Å; T187-K190 PolarHBondContact O-N 3.37Å; Y188-K190 VanDerWaalsContact C-N 3.25Å; Y188-K190 PolarHBondContact O-N 3.33Å; K190-F192 PolarHBondContact O-N 3.05Å; K190-F192 VanDerWaalsContact O-N 3.16Å; K190-W206 HydrophobicContact CB-CD2 4.06Å; K190-W206 HydrophobicContact CB-CE3 4.44Å; K190-W206 HydrophobicContact CB-CG 4.19Å; K190-W206 HydrophobicContact CD-CH2 4.23Å; K190-W206 HydrophobicContact CD-CZ2 4.39Å; K190-W206 HydrophobicContact CD-CZ3 4.3Å |
| 191 | A | 86.8 | Confident | 76.3 | Confident | 3 Ų | 3 | 57 Ų | 57 | 3% | 0.025 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -65.2 | -13.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | Y188 C189 S203 W206 V207 | Y188-A191 WeakPolarHBondContact O-CB 3.38Å; Y188-A191 PolarHBondContact O-N 3.16Å; C189-A191 PolarHBondContact O-N 3.39Å; A191-S203 PolarHBondContact O-N 3.19Å; A191-W206 HydrophobicContact CB-CB 3.89Å; A191-V207 HydrophobicContact CB-CG2 4Å |
| 192 | F | 81.2 | Confident | 75.5 | Confident | 24 Ų | 24 | 58.3 Ų | 58.3 | 11% | 0.105 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -115.7 | 31.9 | -171.1 | -52.3 | -78.5 | 0 | 0 | 0 | 114 | L133 Y135 Y188 C189 K190 F202 F234 I239 | L133-F192 HydrophobicContact CD1-CB 3.92Å; L133-F192 HydrophobicContact CD1-CD2 4.39Å; Y135-F192 PolarHBondContact OH-O 3.04Å; Y188-F192 HydrophobicContact CD1-CE2 4.05Å; Y188-F192 AromaticContact CE1-CE2 3.67Å; Y188-F192 HydrophobicContact CE1-CE2 3.67Å; Y188-F192 HydrophobicContact CE1-CZ 4Å; Y188-F192 AromaticContact CZ-CE2 3.99Å; Y188-F192 AromaticContact CZ-CZ 3.93Å; C189-F192 PolarHBondContact O-N 3.4Å; K190-F192 PolarHBondContact O-N 3.05Å; K190-F192 VanDerWaalsContact O-N 3.16Å; F192-F202 HydrophobicContact CD1-CB 4.45Å; F192-F202 HydrophobicContact CE1-CB 4.29Å; F192-F234 HydrophobicContact CE2-CE1 4.42Å; F192-I239 HydrophobicContact CB-CD1 4.28Å; F192-I239 HydrophobicContact CD1-CD1 4.13Å; F192-I239 HydrophobicContact CD1-CG1 4.27Å; F192-I239 HydrophobicContact CD1-CG2 3.99Å; F192-I239 HydrophobicContact CD2-CD1 3.95Å; F192-I239 HydrophobicContact CD2-CG1 4.27Å; F192-I239 HydrophobicContact CE1-CD1 4.44Å; F192-I239 HydrophobicContact CE1-CG1 4.08Å; F192-I239 HydrophobicContact CE1-CG2 3.84Å; F192-I239 HydrophobicContact CE2-CD1 4.29Å; F192-I239 HydrophobicContact CE2-CG1 4.1Å; F192-I239 HydrophobicContact CG-CD1 3.87Å; F192-I239 HydrophobicContact CG-CG1 4.36Å; F192-I239 HydrophobicContact CZ-CG1 3.99Å |
| 193 | N | 69.2 | Low | 75 | Confident | 55 Ų | 55 | 59.5 Ų | 59.5 | 29% | 0.294 | 31% | 0.314 | S | S | . | . | trans | -67.3 | 142.7 | 178.9 | -80.4 | 13.3 | 0 | 0 | 0 | 113.5 | Y135 G195 N196 | Y135-N193 HydrophobicContact CE1-CB 4.49Å; Y135-N193 WeakPolarHBondContact CE1-OD1 3.49Å; Y135-N193 PolarHBondContact OH-OD1 3.35Å; N193-G195 PolarHBondContact O-N 3.42Å; N193-N196 PolarHBondContact O-N 3.49Å | ||
| 194 | K | 52.8 | Low | 74.6 | Confident | 125 Ų | 125 | 60.5 Ų | 60.5 | 54% | 0.543 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -45.6 | -21.2 | -171.2 | -126.2 | 179.8 | -169.4 | 169 | 0 | 118.1 | Y135 N196 | Y135-K194 HydrophobicContact CD2-CB 4.31Å; Y135-K194 HydrophobicContact CD2-CG 4.43Å; Y135-K194 PolarHBondContact O-NZ 2.92Å; K194-N196 PolarHBondContact O-N 2.68Å |
| 195 | G | 50.1 | Low | 74.3 | Confident | 80 Ų | 80 | 67.8 Ų | 67.8 | 83% | 0.825 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -69 | -15.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | N193 | N193-G195 PolarHBondContact O-N 3.42Š|
| 196 | N | 47.7 | Very low | 74.1 | Confident | 69 Ų | 69 | 72 Ų | 72 | 37% | 0.369 | 37% | 0.372 | S | S | . | . | G | 310 helix | trans | -109.7 | 1.9 | -177.4 | -86.6 | -11.3 | 0 | 0 | 0 | 114.7 | N193 K194 K198 D199 G200 R201 | N193-N196 PolarHBondContact O-N 3.49Å; K194-N196 PolarHBondContact O-N 2.68Å; N196-K198 PolarHBondContact O-N 3.33Å; N196-K198 VanDerWaalsContact O-N 3.11Å; N196-D199 PolarHBondContact O-N 3.39Å; N196-G200 PolarHBondContact O-N 3.07Å; N196-R201 HydrophobicContact CB-CB 4.13Å; N196-R201 WeakPolarHBondContact CB-O 3.39Å; N196-R201 PolarHBondContact ND2-O 2.99Å |
| 197 | D | 46.3 | Very low | 74.1 | Confident | 115 Ų | 115 | 70.8 Ų | 70.8 | 62% | 0.615 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -14.6 | -169.7 | -89.8 | -17.1 | 0 | 0 | 0 | 114.5 | ||
| 198 | K | 47.4 | Very low | 74.2 | Confident | 205 Ų | 205 | 73.6 Ų | 73.6 | 89% | 0.891 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -17.5 | 177.3 | -71.6 | -173.5 | 176.7 | -178.8 | 0 | 114.1 | N196 | N196-K198 PolarHBondContact O-N 3.33Å; N196-K198 VanDerWaalsContact O-N 3.11Å |
| 199 | D | 50.8 | Low | 74.4 | Confident | 103 Ų | 103 | 76.6 Ų | 76.6 | 55% | 0.551 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.6 | 2.1 | -172.9 | -85.4 | 3.8 | 0 | 0 | 0 | 115.2 | N196 R201 | N196-D199 PolarHBondContact O-N 3.39Å; D199-R201 HydrophobicContact CB-CG 3.92Å; D199-R201 PolarHBondContact O-N 3.1Å; D199-R201 IonicContact OD2-CZ 2.75Å; D199-R201 IonicContact OD2-NE 2.65Å; D199-R201 PolarHBondContact OD2-NE 2.64Å; D199-R201 IonicContact OD2-NH2 3.7Å; D199-R201 PolarHBondContact OD2-NH2 2.8Å |
| 200 | G | 57 | Low | 74.8 | Confident | 37 Ų | 37 | 76.5 Ų | 76.5 | 38% | 0.381 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.9 | 22.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | N196 | N196-G200 PolarHBondContact O-N 3.07Š|
| 201 | R | 69.3 | Low | 75.3 | Confident | 164 Ų | 164 | 73 Ų | 73 | 62% | 0.619 | 39% | 0.385 | S | S | * | . | trans | -83 | 120.4 | 179.6 | -63.5 | -175.7 | -158.1 | -161.5 | 7.7 | 110.3 | N196 D199 | N196-R201 HydrophobicContact CB-CB 4.13Å; N196-R201 WeakPolarHBondContact CB-O 3.39Å; N196-R201 PolarHBondContact ND2-O 2.99Å; D199-R201 HydrophobicContact CB-CG 3.92Å; D199-R201 PolarHBondContact O-N 3.1Å; D199-R201 IonicContact OD2-CZ 2.75Å; D199-R201 IonicContact OD2-NE 2.65Å; D199-R201 PolarHBondContact OD2-NE 2.64Å; D199-R201 IonicContact OD2-NH2 3.7Å; D199-R201 PolarHBondContact OD2-NH2 2.8Å | ||
| 202 | F | 81.6 | Confident | 75.8 | Confident | 35 Ų | 35 | 76 Ų | 76 | 15% | 0.154 | 41% | 0.41 | C | S | . | . | trans | -99 | 153.4 | 171.2 | 67.1 | -84.3 | 0 | 0 | 0 | 110.4 | F192 V204 V207 K270 R271 | F192-F202 HydrophobicContact CD1-CB 4.45Å; F192-F202 HydrophobicContact CE1-CB 4.29Å; F202-V204 HydrophobicContact CD2-CG2 4.34Å; F202-V204 HydrophobicContact CE2-CG2 3.7Å; F202-V204 HydrophobicContact CZ-CG2 4.14Å; F202-V204 PolarHBondContact O-N 3.49Å; F202-V207 HydrophobicContact CD2-CG2 3.91Å; F202-V207 HydrophobicContact CE2-CG2 4.16Å; F202-K270 HydrophobicContact CE1-CB 4.13Å; F202-K270 HydrophobicContact CZ-CB 4.18Å; F202-R271 HydrophobicContact CD1-CG 3.7Å; F202-R271 HydrophobicContact CD2-CG 3.81Å; F202-R271 HydrophobicContact CE1-CG 3.62Å; F202-R271 HydrophobicContact CE2-CG 3.73Å; F202-R271 HydrophobicContact CG-CG 3.8Å; F202-R271 HydrophobicContact CZ-CG 3.64Å | ||
| 203 | S | 87.3 | Confident | 76.6 | Confident | 28 Ų | 28 | 76.4 Ų | 76.4 | 20% | 0.196 | 41% | 0.414 | C | S | . | . | trans | -79.8 | 107.6 | 174.8 | 178.5 | 0 | 0 | 0 | 0 | 111.1 | A191 Q205 W206 V207 | A191-S203 PolarHBondContact O-N 3.19Å; S203-Q205 PolarHBondContact O-N 3.2Å; S203-W206 PolarHBondContact O-N 2.93Å; S203-V207 PolarHBondContact O-N 3.19Å | ||
| 204 | V | 89.1 | Confident | 78 | Confident | 76 Ų | 76 | 73.8 Ų | 73.8 | 46% | 0.461 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -59.9 | -34.3 | 174.3 | 178.8 | 0 | 0 | 0 | 0 | 111.2 | F202 W206 V207 V208 L274 | F202-V204 HydrophobicContact CD2-CG2 4.34Å; F202-V204 HydrophobicContact CE2-CG2 3.7Å; F202-V204 HydrophobicContact CZ-CG2 4.14Å; F202-V204 PolarHBondContact O-N 3.49Å; V204-W206 PolarHBondContact O-N 3.49Å; V204-V207 PolarHBondContact O-N 3.1Å; V204-V208 HydrophobicContact CG1-CG2 4.19Å; V204-V208 WeakPolarHBondContact O-CG2 3.35Å; V204-V208 PolarHBondContact O-N 3.04Å; V204-L274 HydrophobicContact CG1-CD2 4.06Å |
| 205 | Q | 91.9 | Very high | 80.2 | Confident | 153 Ų | 153 | 68.7 Ų | 68.7 | 72% | 0.715 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -58.3 | -47.1 | 178.4 | -68.2 | 178.2 | -17.8 | 0 | 0 | 111.6 | S203 V207 V208 V209 | S203-Q205 PolarHBondContact O-N 3.2Å; Q205-V207 VanDerWaalsContact C-N 3.33Å; Q205-V207 PolarHBondContact O-N 3.25Å; Q205-V208 PolarHBondContact O-N 2.93Å; Q205-V209 WeakPolarHBondContact O-CG2 3.32Å; Q205-V209 PolarHBondContact O-N 3.38Å |
| 206 | W | 92.4 | Very high | 82.5 | Confident | 94 Ų | 94 | 65.8 Ų | 65.8 | 36% | 0.356 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -66.5 | -34 | 177.9 | -73.4 | 124.3 | 0 | 0 | 0 | 112.5 | T187 K190 A191 S203 V204 V209 S210 | T187-W206 HydrophobicContact CG2-CZ3 4.4Å; K190-W206 HydrophobicContact CB-CD2 4.06Å; K190-W206 HydrophobicContact CB-CE3 4.44Å; K190-W206 HydrophobicContact CB-CG 4.19Å; K190-W206 HydrophobicContact CD-CH2 4.23Å; K190-W206 HydrophobicContact CD-CZ2 4.39Å; K190-W206 HydrophobicContact CD-CZ3 4.3Å; A191-W206 HydrophobicContact CB-CB 3.89Å; S203-W206 PolarHBondContact O-N 2.93Å; V204-W206 PolarHBondContact O-N 3.49Å; W206-V209 HydrophobicContact CE3-CB 4.5Å; W206-V209 PolarHBondContact O-N 3.1Å; W206-S210 WeakPolarHBondContact O-CB 3.44Å; W206-S210 PolarHBondContact O-N 3.24Å |
| 207 | V | 93.5 | Very high | 84.9 | Confident | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.006 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -66.4 | -41.1 | 173.3 | -177.4 | 0 | 0 | 0 | 0 | 111.4 | Y188 A191 F202 S203 V204 Q205 S210 L211 L274 M275 | Y188-V207 HydrophobicContact CD2-CG2 4.29Å; Y188-V207 HydrophobicContact CE2-CG1 4.4Å; Y188-V207 HydrophobicContact CE2-CG2 4.15Å; A191-V207 HydrophobicContact CB-CG2 4Å; F202-V207 HydrophobicContact CD2-CG2 3.91Å; F202-V207 HydrophobicContact CE2-CG2 4.16Å; S203-V207 PolarHBondContact O-N 3.19Å; V204-V207 PolarHBondContact O-N 3.1Å; Q205-V207 VanDerWaalsContact C-N 3.33Å; Q205-V207 PolarHBondContact O-N 3.25Å; V207-S210 WeakPolarHBondContact O-CB 3.41Å; V207-S210 PolarHBondContact O-N 2.99Å; V207-L211 HydrophobicContact CG1-CD1 4.43Å; V207-L211 WeakPolarHBondContact O-CG 3.44Å; V207-L211 PolarHBondContact O-N 3.26Å; V207-L274 HydrophobicContact CB-CD2 3.95Å; V207-L274 HydrophobicContact CG1-CD2 3.53Å; V207-L274 HydrophobicContact CG1-CG 4.09Å; V207-M275 HydrophobicContact CG1-CG 4.43Å |
| 208 | V | 95.2 | Very high | 87.3 | Confident | 78 Ų | 78 | 57.5 Ų | 57.5 | 47% | 0.473 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.3 | -41.6 | 175.9 | 172.3 | 0 | 0 | 0 | 0 | 111.5 | V204 Q205 S210 L211 A212 | V204-V208 HydrophobicContact CG1-CG2 4.19Å; V204-V208 WeakPolarHBondContact O-CG2 3.35Å; V204-V208 PolarHBondContact O-N 3.04Å; Q205-V208 PolarHBondContact O-N 2.93Å; V208-S210 VanDerWaalsContact C-N 3.33Å; V208-S210 PolarHBondContact O-N 3.38Å; V208-L211 PolarHBondContact O-N 3.25Å; V208-A212 PolarHBondContact O-N 2.93Å |
| 209 | V | 96.7 | Very high | 89.6 | Confident | 63 Ų | 63 | 50 Ų | 50 | 38% | 0.382 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.9 | -43.5 | 173.5 | 171.3 | 0 | 0 | 0 | 0 | 110.8 | T187 Q205 W206 L211 A212 L213 | T187-V209 HydrophobicContact CG2-CG1 4.2Å; Q205-V209 WeakPolarHBondContact O-CG2 3.32Å; Q205-V209 PolarHBondContact O-N 3.38Å; W206-V209 HydrophobicContact CE3-CB 4.5Å; W206-V209 PolarHBondContact O-N 3.1Å; V209-L211 VanDerWaalsContact C-N 3.34Å; V209-L211 PolarHBondContact O-N 3.49Å; V209-A212 PolarHBondContact O-N 3.4Å; V209-L213 HydrophobicContact CG1-CD1 4.06Å; V209-L213 WeakPolarHBondContact O-CG 3.45Å; V209-L213 PolarHBondContact O-N 3.26Å |
| 210 | S | 96.9 | Very high | 91.9 | Very high | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.014 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.9 | -42.1 | 175.1 | 178.4 | 0 | 0 | 0 | 0 | 112.3 | S184 W206 V207 V208 L213 C214 N231 | S184-S210 WeakPolarHBondContact CB-O 3.5Å; S184-S210 WeakPolarHBondContact O-CB 3.38Å; S184-S210 PolarHBondContact O-OG 2.86Å; S184-S210 PolarHBondContact OG-O 2.85Å; S184-S210 PolarHBondContact OG-OG 2.99Å; S184-S210 VanDerWaalsContact OG-OG 3.04Å; W206-S210 WeakPolarHBondContact O-CB 3.44Å; W206-S210 PolarHBondContact O-N 3.24Å; V207-S210 WeakPolarHBondContact O-CB 3.41Å; V207-S210 PolarHBondContact O-N 2.99Å; V208-S210 VanDerWaalsContact C-N 3.33Å; V208-S210 PolarHBondContact O-N 3.38Å; S210-L213 PolarHBondContact O-N 3.1Å; S210-C214 WeakPolarHBondContact O-CB 3.25Å; S210-C214 PolarHBondContact O-N 2.78Å; S210-N231 PolarHBondContact OG-ND2 3.43Å |
| 211 | L | 97.9 | Very high | 93.6 | Very high | 22 Ų | 22 | 43.8 Ų | 43.8 | 12% | 0.115 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.8 | -40.4 | 174.4 | -73.9 | 172.3 | 0 | 0 | 0 | 112.5 | V207 V208 V209 L213 C214 G215 L228 L274 | V207-L211 HydrophobicContact CG1-CD1 4.43Å; V207-L211 WeakPolarHBondContact O-CG 3.44Å; V207-L211 PolarHBondContact O-N 3.26Å; V208-L211 PolarHBondContact O-N 3.25Å; V209-L211 VanDerWaalsContact C-N 3.34Å; V209-L211 PolarHBondContact O-N 3.49Å; L211-L213 VanDerWaalsContact C-N 3.35Å; L211-L213 PolarHBondContact O-N 3.24Å; L211-C214 WeakPolarHBondContact O-CB 3.32Å; L211-C214 PolarHBondContact O-N 3.26Å; L211-G215 PolarHBondContact O-N 2.81Å; L211-L228 HydrophobicContact CD2-CD2 3.73Å; L211-L274 HydrophobicContact CD1-CG 4.3Å |
| 212 | A | 97.9 | Very high | 94.7 | Very high | 67 Ų | 67 | 39.1 Ų | 39.1 | 55% | 0.554 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -63.1 | -41.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | V208 V209 G215 A216 | V208-A212 PolarHBondContact O-N 2.93Å; V209-A212 PolarHBondContact O-N 3.4Å; A212-G215 WeakPolarHBondContact O-CA 3.18Å; A212-G215 PolarHBondContact O-N 2.92Å; A212-G215 VanDerWaalsContact O-N 3.16Å; A212-A216 PolarHBondContact O-N 3.28Å |
| 213 | L | 98.4 | Very high | 95.2 | Very high | 33 Ų | 33 | 38.3 Ų | 38.3 | 17% | 0.173 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67.2 | -37.1 | 174.7 | -70.5 | 166.1 | 0 | 0 | 0 | 112.1 | F180 L183 T187 V209 S210 L211 G215 A216 A217 | F180-L213 HydrophobicContact CD1-CD2 3.85Å; F180-L213 HydrophobicContact CE1-CD2 4.36Å; L183-L213 HydrophobicContact CB-CD1 4.01Å; L183-L213 HydrophobicContact CB-CD2 4.38Å; T187-L213 HydrophobicContact CG2-CD1 3.84Å; V209-L213 HydrophobicContact CG1-CD1 4.06Å; V209-L213 WeakPolarHBondContact O-CG 3.45Å; V209-L213 PolarHBondContact O-N 3.26Å; S210-L213 PolarHBondContact O-N 3.1Å; L211-L213 VanDerWaalsContact C-N 3.35Å; L211-L213 PolarHBondContact O-N 3.24Å; L213-G215 VanDerWaalsContact C-N 3.28Å; L213-G215 PolarHBondContact O-N 2.79Å; L213-A216 PolarHBondContact O-N 2.9Å; L213-A217 PolarHBondContact O-N 2.95Å |
| 214 | C | 98.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.7 | -41.3 | 169.4 | 179.4 | 0 | 0 | 0 | 0 | 110.9 | S210 L211 A217 M218 V227 L228 M282 | S210-C214 WeakPolarHBondContact O-CB 3.25Å; S210-C214 PolarHBondContact O-N 2.78Å; L211-C214 WeakPolarHBondContact O-CB 3.32Å; L211-C214 PolarHBondContact O-N 3.26Å; C214-A217 WeakPolarHBondContact O-CB 3.15Å; C214-A217 PolarHBondContact O-N 2.88Å; C214-M218 PolarHBondContact O-N 2.89Å; C214-V227 HydrophobicContact CB-CG1 3.7Å; C214-V227 WeakPolarHBondContact SG-CG1 3.46Å; C214-L228 HydrophobicContact CB-CD2 4.35Å; C214-M282 HydrophobicContact CB-CE 4.2Å; C214-M282 VanDerWaalsContact SG-CE 3.55Å |
| 215 | G | 97.9 | Very high | 95.9 | Very high | 18 Ų | 18 | 35 Ų | 35 | 19% | 0.186 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.5 | -48.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L211 A212 L213 A217 M218 L219 M282 | L211-G215 PolarHBondContact O-N 2.81Å; A212-G215 WeakPolarHBondContact O-CA 3.18Å; A212-G215 PolarHBondContact O-N 2.92Å; A212-G215 VanDerWaalsContact O-N 3.16Å; L213-G215 VanDerWaalsContact C-N 3.28Å; L213-G215 PolarHBondContact O-N 2.79Å; G215-A217 PolarHBondContact O-N 3.28Å; G215-M218 WeakPolarHBondContact O-CB 3.43Å; G215-M218 PolarHBondContact O-N 3.36Å; G215-L219 WeakPolarHBondContact O-CG 3.47Å; G215-L219 PolarHBondContact O-N 3.21Å; G215-M282 VanDerWaalsContact CA-CE 3.41Å |
| 216 | A | 98.3 | Very high | 96.1 | Very high | 18 Ų | 18 | 28.2 Ų | 28.2 | 15% | 0.149 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.6 | -42.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L87 F180 A212 L213 M218 L219 C220 | L87-A216 HydrophobicContact CD1-CB 4.04Å; F180-A216 HydrophobicContact CB-CB 4.44Å; F180-A216 HydrophobicContact CD1-CB 3.95Å; F180-A216 HydrophobicContact CD2-CB 4.03Å; F180-A216 HydrophobicContact CE1-CB 4.18Å; F180-A216 HydrophobicContact CE2-CB 4.26Å; F180-A216 HydrophobicContact CG-CB 3.89Å; F180-A216 HydrophobicContact CZ-CB 4.33Å; A212-A216 PolarHBondContact O-N 3.28Å; L213-A216 PolarHBondContact O-N 2.9Å; A216-M218 PolarHBondContact O-N 2.99Å; A216-L219 PolarHBondContact O-N 2.91Å; A216-C220 PolarHBondContact O-N 3.44Å; A216-C220 VanDerWaalsContact O-N 3.15Å; A216-C220 PolarHBondContact O-SG 3.34Å |
| 217 | A | 98.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -58.7 | -47 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | F180 L213 C214 G215 L219 C220 K221 | F180-A217 HydrophobicContact CB-CB 3.67Å; L213-A217 PolarHBondContact O-N 2.95Å; C214-A217 WeakPolarHBondContact O-CB 3.15Å; C214-A217 PolarHBondContact O-N 2.88Å; G215-A217 PolarHBondContact O-N 3.28Å; A217-L219 VanDerWaalsContact C-N 3.33Å; A217-L219 PolarHBondContact O-N 3.13Å; A217-C220 WeakPolarHBondContact O-CA 3.47Å; A217-C220 WeakPolarHBondContact O-CB 3.39Å; A217-C220 PolarHBondContact O-N 2.81Å; A217-K221 PolarHBondContact O-N 2.84Å |
| 218 | M | 96.3 | Very high | 96.5 | Very high | 11 Ų | 11 | 24.8 Ų | 24.8 | 5% | 0.054 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.8 | -37.1 | 176.8 | -92.3 | -166.8 | 62.7 | 0 | 0 | 113.9 | C214 G215 A216 C220 K221 I225 M282 L283 R286 | C214-M218 PolarHBondContact O-N 2.89Å; G215-M218 WeakPolarHBondContact O-CB 3.43Å; G215-M218 PolarHBondContact O-N 3.36Å; A216-M218 PolarHBondContact O-N 2.99Å; M218-C220 PolarHBondContact O-N 3.27Å; M218-K221 VanDerWaalsContact CA-O 3.29Å; M218-K221 WeakPolarHBondContact CA-O 3.18Å; M218-K221 CarbonylContact O-C 3.44Å; M218-I225 HydrophobicContact CG-CB 3.94Å; M218-I225 HydrophobicContact SD-CB 3.69Å; M218-I225 HydrophobicContact SD-CD1 3.62Å; M218-I225 HydrophobicContact SD-CG1 4.02Å; M218-M282 HydrophobicContact CB-CE 4.28Å; M218-M282 HydrophobicContact CG-CE 4.01Å; M218-M282 HydrophobicContact SD-CB 4.08Å; M218-M282 HydrophobicContact SD-CE 3.37Å; M218-M282 WeakPolarHBondContact SD-CE 3.45Å; M218-L283 HydrophobicContact CE-CD2 4.42Å; M218-R286 HydrophobicContact CE-CB 4.16Å; M218-R286 VanDerWaalsContact CE-CD 3.42Å; M218-R286 HydrophobicContact CE-CG 4.42Å; M218-R286 PolarHBondContact O-NH1 3.39Å |
| 219 | L | 97.4 | Very high | 96.5 | Very high | 47 Ų | 47 | 22.6 Ų | 22.6 | 25% | 0.246 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -73.6 | -13.2 | 175.8 | -67.7 | 172.9 | 0 | 0 | 0 | 112.8 | W66 Y84 R85 P86 L87 G215 A216 A217 | W66-L219 HydrophobicContact CZ3-CD1 4.29Å; W66-L219 HydrophobicContact CZ3-CD2 4.4Å; Y84-L219 HydrophobicContact CD1-CD2 4.5Å; Y84-L219 HydrophobicContact CE1-CD2 3.78Å; R85-L219 CarbonylContact C-O 3.6Å; R85-L219 WeakPolarHBondContact CA-O 3.43Å; P86-L219 VanDerWaalsContact CD-O 3.3Å; P86-L219 WeakPolarHBondContact CD-O 3.44Å; P86-L219 HydrophobicContact CG-CB 4.25Å; P86-L219 HydrophobicContact CG-CD2 3.77Å; L87-L219 HydrophobicContact CB-CB 4.26Å; L87-L219 HydrophobicContact CD1-CB 3.71Å; L87-L219 HydrophobicContact CD1-CD1 4.01Å; L87-L219 HydrophobicContact CG-CB 3.71Å; L87-L219 HydrophobicContact CG-CD1 4.16Å; L87-L219 PolarHBondContact N-O 3.16Å; G215-L219 WeakPolarHBondContact O-CG 3.47Å; G215-L219 PolarHBondContact O-N 3.21Å; A216-L219 PolarHBondContact O-N 2.91Å; A217-L219 VanDerWaalsContact C-N 3.33Å; A217-L219 PolarHBondContact O-N 3.13Å |
| 220 | C | 97.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -90.7 | -44.2 | 169.2 | -59.3 | 0 | 0 | 0 | 0 | 111.3 | R85 T88 L176 C177 A216 A217 M218 | R85-C220 WeakPolarHBondContact CB-O 3.24Å; R85-C220 VanDerWaalsContact CD-O 3.29Å; R85-C220 WeakPolarHBondContact CD-O 3.24Å; R85-C220 VanDerWaalsContact CG-O 3.24Å; R85-C220 WeakPolarHBondContact CG-O 3.49Å; T88-C220 VanDerWaalsContact OG1-CA 3.32Å; T88-C220 WeakPolarHBondContact OG1-CA 3.41Å; T88-C220 PolarHBondContact OG1-O 3.4Å; T88-C220 VanDerWaalsContact OG1-O 3.09Å; L176-C220 HydrophobicContact CB-CB 3.89Å; C177-C220 HydrophobicContact CB-CB 4.29Å; A216-C220 PolarHBondContact O-N 3.44Å; A216-C220 VanDerWaalsContact O-N 3.15Å; A216-C220 PolarHBondContact O-SG 3.34Å; A217-C220 WeakPolarHBondContact O-CA 3.47Å; A217-C220 WeakPolarHBondContact O-CB 3.39Å; A217-C220 PolarHBondContact O-N 2.81Å; M218-C220 PolarHBondContact O-N 3.27Å |
| 221 | K | 94.6 | Very high | 96.4 | Very high | 10 Ų | 10 | 19.6 Ų | 19.6 | 4% | 0.043 | 13% | 0.125 | C | C | . | . | trans | -159.3 | 143.1 | 175.5 | -163.4 | 167 | -175.9 | 173.3 | 0 | 111.5 | D174 C177 A217 M218 Q223 G224 | D174-K221 WeakPolarHBondContact OD1-CD 3.44Å; D174-K221 WeakPolarHBondContact OD1-CE 3.25Å; D174-K221 IonicContact OD1-NZ 3.44Å; D174-K221 PolarHBondContact OD1-NZ 3.21Å; D174-K221 IonicContact OD2-NZ 2.74Å; D174-K221 PolarHBondContact OD2-NZ 3.39Å; C177-K221 HydrophobicContact CB-CB 3.73Å; A217-K221 PolarHBondContact O-N 2.84Å; M218-K221 VanDerWaalsContact CA-O 3.29Å; M218-K221 WeakPolarHBondContact CA-O 3.18Å; M218-K221 CarbonylContact O-C 3.44Å; K221-Q223 PolarHBondContact O-N 2.82Å; K221-Q223 VanDerWaalsContact O-N 3.08Å; K221-G224 PolarHBondContact O-N 2.9Å | ||
| 222 | E | 90.5 | Very high | 96.1 | Very high | 66 Ų | 66 | 19.8 Ų | 19.8 | 31% | 0.308 | 13% | 0.129 | S | C | . | . | G | 310 helix | trans | -49.1 | -35.2 | 178.8 | 50.4 | -76.4 | 174.2 | 0 | 0 | 114.7 | R85 G224 I225 R286 | R85-E222 IonicContact CZ-OE1 2.69Å; R85-E222 IonicContact CZ-OE2 2.73Å; R85-E222 IonicContact NE-OE2 2.78Å; R85-E222 PolarHBondContact NE-OE2 3.32Å; R85-E222 IonicContact NH2-OE1 2.99Å; R85-E222 PolarHBondContact NH2-OE1 3.18Å; R85-E222 IonicContact NH2-OE2 3.45Å; E222-G224 PolarHBondContact O-N 3.48Å; E222-I225 WeakPolarHBondContact O-CG2 3.4Å; E222-I225 PolarHBondContact O-N 2.99Å; E222-R286 IonicContact OE2-NH2 3.32Å; E222-R286 PolarHBondContact OE2-NH2 3.45Å |
| 223 | Q | 92.3 | Very high | 95.8 | Very high | 18 Ų | 18 | 17.6 Ų | 17.6 | 8% | 0.084 | 11% | 0.111 | C | C | . | . | G | 310 helix | trans | -57.1 | -22 | 178.3 | -74 | -73.6 | 10.3 | 0 | 0 | 113.6 | K221 I225 T226 P393 | K221-Q223 PolarHBondContact O-N 2.82Å; K221-Q223 VanDerWaalsContact O-N 3.08Å; Q223-I225 PolarHBondContact O-N 3.44Å; Q223-I225 VanDerWaalsContact O-N 3.12Å; Q223-T226 WeakPolarHBondContact O-CB 3.39Å; Q223-T226 WeakPolarHBondContact O-CG2 3.31Å; Q223-T226 PolarHBondContact O-N 3.47Å; Q223-T226 VanDerWaalsContact O-N 3.09Å; Q223-T226 PolarHBondContact O-OG1 3.37Å; Q223-P393 VanDerWaalsContact CD-O 3.24Å; Q223-P393 PolarHBondContact NE2-O 3.05Å; Q223-P393 PolarHBondContact OE1-O 3.45Å |
| 224 | G | 95.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 10% | 0.103 | C | C | . | . | G | 310 helix | trans | -56.9 | -29.1 | -178 | 0 | 0 | 0 | 0 | 0 | 114.7 | C177 K221 E222 T226 V227 | C177-G224 VanDerWaalsContact SG-CA 3.57Å; C177-G224 PolarHBondContact SG-N 3.16Å; C177-G224 VanDerWaalsContact SG-N 3.4Å; K221-G224 PolarHBondContact O-N 2.9Å; E222-G224 PolarHBondContact O-N 3.48Å; G224-T226 PolarHBondContact O-N 3.49Å; G224-T226 VanDerWaalsContact O-N 3.14Å; G224-V227 WeakPolarHBondContact O-CG1 3.43Å; G224-V227 PolarHBondContact O-N 2.85Å |
| 225 | I | 96 | Very high | 94.8 | Very high | 34 Ų | 34 | 16 Ų | 16 | 17% | 0.174 | 10% | 0.103 | C | C | . | . | G | 310 helix | trans | -61.3 | -25.1 | 179.4 | -166.7 | 61.7 | 0 | 0 | 0 | 112.9 | M218 E222 Q223 V227 L228 M282 L283 | M218-I225 HydrophobicContact CG-CB 3.94Å; M218-I225 HydrophobicContact SD-CB 3.69Å; M218-I225 HydrophobicContact SD-CD1 3.62Å; M218-I225 HydrophobicContact SD-CG1 4.02Å; E222-I225 WeakPolarHBondContact O-CG2 3.4Å; E222-I225 PolarHBondContact O-N 2.99Å; Q223-I225 PolarHBondContact O-N 3.44Å; Q223-I225 VanDerWaalsContact O-N 3.12Å; I225-V227 PolarHBondContact O-N 3.45Å; I225-V227 VanDerWaalsContact O-N 3.11Å; I225-L228 HydrophobicContact CD1-CD1 3.54Å; I225-L228 HydrophobicContact CD1-CG 4.25Å; I225-L228 HydrophobicContact CG1-CD1 4.45Å; I225-L228 PolarHBondContact O-N 3.42Å; I225-L228 VanDerWaalsContact O-N 3.1Å; I225-M282 HydrophobicContact CD1-CE 4.1Å; I225-L283 HydrophobicContact CG1-CD2 4.48Å |
| 226 | T | 96.5 | Very high | 94.1 | Very high | 11 Ų | 11 | 17.1 Ų | 17.1 | 7% | 0.067 | 11% | 0.106 | C | C | . | . | G | 310 helix | trans | -64.8 | -16.6 | -176.4 | 62.4 | 0 | 0 | 0 | 0 | 112.7 | F181 Q223 G224 L228 G229 V230 V392 P396 | F181-T226 WeakPolarHBondContact CE2-OG1 3.44Å; Q223-T226 WeakPolarHBondContact O-CB 3.39Å; Q223-T226 WeakPolarHBondContact O-CG2 3.31Å; Q223-T226 PolarHBondContact O-N 3.47Å; Q223-T226 VanDerWaalsContact O-N 3.09Å; Q223-T226 PolarHBondContact O-OG1 3.37Å; G224-T226 PolarHBondContact O-N 3.49Å; G224-T226 VanDerWaalsContact O-N 3.14Å; T226-L228 PolarHBondContact O-N 2.91Å; T226-G229 PolarHBondContact O-N 3.37Å; T226-V230 PolarHBondContact O-N 3.21Å; T226-V392 WeakPolarHBondContact CG2-O 3.3Å; T226-P396 HydrophobicContact CG2-CG 3.61Å |
| 227 | V | 97.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -59.8 | -31.1 | 173.3 | 73.8 | 0 | 0 | 0 | 0 | 111.9 | F181 F185 C214 G224 I225 G229 V230 N231 | F181-V227 HydrophobicContact CD1-CG2 4.24Å; F181-V227 HydrophobicContact CD2-CB 3.52Å; F181-V227 HydrophobicContact CD2-CG2 4.1Å; F181-V227 HydrophobicContact CE1-CG2 4.24Å; F181-V227 HydrophobicContact CE2-CB 3.55Å; F181-V227 HydrophobicContact CE2-CG2 4.13Å; F181-V227 HydrophobicContact CG-CB 4.03Å; F181-V227 HydrophobicContact CG-CG2 4.14Å; F181-V227 HydrophobicContact CZ-CB 4.08Å; F181-V227 HydrophobicContact CZ-CG2 4.18Å; F181-V227 WeakPolarHBondContact O-CG2 3.1Å; F185-V227 HydrophobicContact CB-CG2 4.18Å; C214-V227 HydrophobicContact CB-CG1 3.7Å; C214-V227 WeakPolarHBondContact SG-CG1 3.46Å; G224-V227 WeakPolarHBondContact O-CG1 3.43Å; G224-V227 PolarHBondContact O-N 2.85Å; I225-V227 PolarHBondContact O-N 3.45Å; I225-V227 VanDerWaalsContact O-N 3.11Å; V227-G229 VanDerWaalsContact C-N 3.29Å; V227-G229 PolarHBondContact O-N 2.99Å; V227-V230 PolarHBondContact O-N 3.32Å; V227-N231 WeakPolarHBondContact O-CB 3.31Å; V227-N231 VanDerWaalsContact O-CG 3.26Å; V227-N231 PolarHBondContact O-N 3.25Å |
| 228 | L | 96.9 | Very high | 92.2 | Very high | 22 Ų | 22 | 19.5 Ų | 19.5 | 12% | 0.115 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -64.9 | -36.5 | 176.5 | -57.9 | -175.1 | 0 | 0 | 0 | 111.5 | L211 C214 I225 T226 A232 M275 | L211-L228 HydrophobicContact CD2-CD2 3.73Å; C214-L228 HydrophobicContact CB-CD2 4.35Å; I225-L228 HydrophobicContact CD1-CD1 3.54Å; I225-L228 HydrophobicContact CD1-CG 4.25Å; I225-L228 HydrophobicContact CG1-CD1 4.45Å; I225-L228 PolarHBondContact O-N 3.42Å; I225-L228 VanDerWaalsContact O-N 3.1Å; T226-L228 PolarHBondContact O-N 2.91Å; L228-A232 VanDerWaalsContact O-CB 3.26Å; L228-A232 WeakPolarHBondContact O-CB 3.31Å; L228-A232 PolarHBondContact O-N 3.3Å; L228-M275 HydrophobicContact CB-CE 4.22Å; L228-M275 HydrophobicContact CD2-CE 4.33Å; L228-M275 WeakPolarHBondContact O-CE 3.23Å |
| 229 | G | 95.2 | Very high | 91.3 | Very high | 33 Ų | 33 | 21.5 Ų | 21.5 | 34% | 0.34 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -66.5 | -40.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | T226 V227 A232 A233 | T226-G229 PolarHBondContact O-N 3.37Å; V227-G229 VanDerWaalsContact C-N 3.29Å; V227-G229 PolarHBondContact O-N 2.99Å; G229-A232 PolarHBondContact O-N 3.33Å; G229-A233 WeakPolarHBondContact O-CB 3.26Å; G229-A233 PolarHBondContact O-N 3.5Å |
| 230 | V | 95.5 | Very high | 90.2 | Very high | 1 Ų | 1 | 20.3 Ų | 20.3 | 1% | 0.006 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -67 | -44.8 | 175.4 | 179.6 | 0 | 0 | 0 | 0 | 111.5 | F181 F185 T226 V227 A232 A233 F234 V388 L389 V392 | F181-V230 HydrophobicContact CZ-CB 4.38Å; F181-V230 HydrophobicContact CZ-CG2 3.83Å; F185-V230 HydrophobicContact CD2-CG1 4.1Å; F185-V230 HydrophobicContact CE2-CG1 4.27Å; T226-V230 PolarHBondContact O-N 3.21Å; V227-V230 PolarHBondContact O-N 3.32Å; V230-A232 VanDerWaalsContact C-N 3.33Å; V230-A232 PolarHBondContact O-N 3.49Å; V230-A233 PolarHBondContact O-N 3.05Å; V230-F234 VanDerWaalsContact O-CB 3.32Å; V230-F234 WeakPolarHBondContact O-CB 3.39Å; V230-F234 PolarHBondContact O-N 2.94Å; V230-V388 HydrophobicContact CB-CG1 4.39Å; V230-V388 HydrophobicContact CG1-CG1 4.37Å; V230-V388 HydrophobicContact CG2-CG1 4.02Å; V230-L389 HydrophobicContact CG1-CD2 3.95Å; V230-L389 HydrophobicContact CG2-CD2 4.16Å; V230-V392 HydrophobicContact CG2-CB 4.39Å; V230-V392 HydrophobicContact CG2-CG1 4.25Å |
| 231 | N | 95 | Very high | 89 | Confident | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.8 | -41.3 | 175.2 | -73.3 | -7.1 | 0 | 0 | 0 | 111.3 | F185 Y188 S210 V227 F234 D235 M275 | F185-N231 VanDerWaalsContact CD2-OD1 3.26Å; F185-N231 WeakPolarHBondContact CD2-OD1 3.48Å; Y188-N231 HydrophobicContact CD1-CB 3.87Å; Y188-N231 HydrophobicContact CD2-CB 4.49Å; Y188-N231 HydrophobicContact CE1-CB 3.93Å; Y188-N231 HydrophobicContact CG-CB 4.17Å; S210-N231 PolarHBondContact OG-ND2 3.43Å; V227-N231 WeakPolarHBondContact O-CB 3.31Å; V227-N231 VanDerWaalsContact O-CG 3.26Å; V227-N231 PolarHBondContact O-N 3.25Å; N231-F234 WeakPolarHBondContact O-CB 3.44Å; N231-F234 PolarHBondContact O-N 3.45Å; N231-D235 WeakPolarHBondContact O-CB 3.4Å; N231-D235 PolarHBondContact O-N 3.43Å; N231-M275 HydrophobicContact CB-CE 3.38Å; N231-M275 HydrophobicContact CB-SD 4.27Å |
| 232 | A | 92.6 | Very high | 87.8 | Confident | 25 Ų | 25 | 25.7 Ų | 25.7 | 21% | 0.207 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -66.5 | -43.5 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | L228 G229 V230 F234 D235 V236 L272 M275 | L228-A232 VanDerWaalsContact O-CB 3.26Å; L228-A232 WeakPolarHBondContact O-CB 3.31Å; L228-A232 PolarHBondContact O-N 3.3Å; G229-A232 PolarHBondContact O-N 3.33Å; V230-A232 VanDerWaalsContact C-N 3.33Å; V230-A232 PolarHBondContact O-N 3.49Å; A232-F234 VanDerWaalsContact C-N 3.31Å; A232-F234 PolarHBondContact O-N 3.29Å; A232-D235 PolarHBondContact O-N 3.22Å; A232-V236 WeakPolarHBondContact O-CG2 3.21Å; A232-V236 PolarHBondContact O-N 3.27Å; A232-L272 HydrophobicContact CB-CD2 3.73Å; A232-M275 HydrophobicContact CB-CE 4.22Å |
| 233 | A | 90.2 | Very high | 86.7 | Confident | 21 Ų | 21 | 24.5 Ų | 24.5 | 17% | 0.174 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.1 | -41.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | G229 V230 L237 V388 | G229-A233 WeakPolarHBondContact O-CB 3.26Å; G229-A233 PolarHBondContact O-N 3.5Å; V230-A233 PolarHBondContact O-N 3.05Å; A233-L237 HydrophobicContact CB-CD1 4.36Å; A233-L237 WeakPolarHBondContact O-CB 3.37Å; A233-L237 WeakPolarHBondContact O-CD1 3.38Å; A233-L237 WeakPolarHBondContact O-CG 3.44Å; A233-L237 PolarHBondContact O-N 3.14Å; A233-V388 HydrophobicContact CB-CG1 3.88Å; A233-V388 HydrophobicContact CB-CG2 3.91Å |
| 234 | F | 89.1 | Confident | 85.4 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.4 | -45.4 | 174.6 | 177.5 | -93.5 | 0 | 0 | 0 | 112.6 | I128 L129 L133 F185 Y188 F192 V230 N231 A232 L238 I239 F385 | I128-F234 HydrophobicContact CG2-CE2 3.7Å; I128-F234 HydrophobicContact CG2-CZ 4.01Å; L129-F234 HydrophobicContact CD2-CD2 4.06Å; L133-F234 HydrophobicContact CD1-CZ 4.17Å; L133-F234 HydrophobicContact CD2-CZ 4.36Å; L133-F234 HydrophobicContact CG-CZ 4.24Å; F185-F234 HydrophobicContact CE2-CB 4.05Å; F185-F234 AromaticContact CE2-CD2 3.85Å; F185-F234 HydrophobicContact CE2-CD2 3.85Å; F185-F234 HydrophobicContact CE2-CE2 4.41Å; F185-F234 AromaticContact CE2-CG 3.91Å; F185-F234 HydrophobicContact CE2-CG 3.91Å; F185-F234 AromaticContact CZ-CD2 3.82Å; F185-F234 HydrophobicContact CZ-CD2 3.82Å; F185-F234 HydrophobicContact CZ-CE2 4.01Å; F185-F234 HydrophobicContact CZ-CG 4.32Å; Y188-F234 HydrophobicContact CD1-CD1 4.25Å; Y188-F234 HydrophobicContact CE1-CD1 4.09Å; F192-F234 HydrophobicContact CE2-CE1 4.42Å; V230-F234 VanDerWaalsContact O-CB 3.32Å; V230-F234 WeakPolarHBondContact O-CB 3.39Å; V230-F234 PolarHBondContact O-N 2.94Å; N231-F234 WeakPolarHBondContact O-CB 3.44Å; N231-F234 PolarHBondContact O-N 3.45Å; A232-F234 VanDerWaalsContact C-N 3.31Å; A232-F234 PolarHBondContact O-N 3.29Å; F234-L238 HydrophobicContact CD2-CB 4.15Å; F234-L238 HydrophobicContact CD2-CD2 4.22Å; F234-L238 HydrophobicContact CE1-CD2 4.19Å; F234-L238 HydrophobicContact CE2-CB 4.11Å; F234-L238 HydrophobicContact CE2-CD2 3.34Å; F234-L238 HydrophobicContact CE2-CG 4.21Å; F234-L238 HydrophobicContact CZ-CB 4.41Å; F234-L238 HydrophobicContact CZ-CD2 3.32Å; F234-L238 HydrophobicContact CZ-CG 4.43Å; F234-L238 WeakPolarHBondContact O-CA 3.22Å; F234-L238 WeakPolarHBondContact O-CB 3.28Å; F234-L238 PolarHBondContact O-N 3.23Å; F234-I239 HydrophobicContact CD1-CG1 4.34Å; F234-I239 HydrophobicContact CE1-CD1 3.97Å; F234-I239 HydrophobicContact CE1-CG1 4.01Å; F234-I239 HydrophobicContact CZ-CD1 4.44Å; F234-I239 PolarHBondContact O-N 2.89Å; F234-F385 HydrophobicContact CB-CE1 4.07Å; F234-F385 HydrophobicContact CB-CZ 4.4Å; F234-F385 HydrophobicContact CD2-CE1 4.27Å; F234-F385 HydrophobicContact CD2-CZ 4.06Å |
| 235 | D | 86.9 | Confident | 84 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | I | π-helix | trans | -62.7 | -49.1 | 179.2 | -161.4 | 1.2 | 0 | 0 | 0 | 111.7 | Y188 N231 A232 I239 C240 L268 R271 | Y188-D235 HydrophobicContact CE1-CB 4.44Å; Y188-D235 WeakPolarHBondContact OH-CB 3.32Å; Y188-D235 VanDerWaalsContact OH-CG 3.28Å; Y188-D235 PolarHBondContact OH-OD2 2.96Å; N231-D235 WeakPolarHBondContact O-CB 3.4Å; N231-D235 PolarHBondContact O-N 3.43Å; A232-D235 PolarHBondContact O-N 3.22Å; D235-I239 WeakPolarHBondContact O-CB 3.5Å; D235-I239 PolarHBondContact O-N 3.02Å; D235-C240 PolarHBondContact O-N 2.92Å; D235-L268 HydrophobicContact CB-CD1 4.19Å; D235-L268 WeakPolarHBondContact OD2-CD1 3.47Å; D235-R271 IonicContact OD1-CZ 3.21Å; D235-R271 IonicContact OD1-NE 3.29Å; D235-R271 PolarHBondContact OD1-NE 3.48Å; D235-R271 IonicContact OD1-NH2 2.75Å; D235-R271 PolarHBondContact OD1-NH2 3.26Å; D235-R271 WeakPolarHBondContact OD2-CB 3.38Å; D235-R271 IonicContact OD2-CZ 2.8Å; D235-R271 IonicContact OD2-NE 2.92Å; D235-R271 PolarHBondContact OD2-NE 2.87Å; D235-R271 IonicContact OD2-NH2 3.83Å |
| 236 | V | 83.3 | Confident | 82.5 | Confident | 42 Ų | 42 | 34.3 Ų | 34.3 | 26% | 0.255 | 19% | 0.192 | S | C | . | . | I | π-helix | trans | -64.5 | -47.6 | 180 | 173.2 | 0 | 0 | 0 | 0 | 111.7 | A232 V242 L268 | A232-V236 WeakPolarHBondContact O-CG2 3.21Å; A232-V236 PolarHBondContact O-N 3.27Å; V236-V242 HydrophobicContact CG1-CB 4.11Å; V236-V242 HydrophobicContact CG1-CG2 4.4Å; V236-V242 WeakPolarHBondContact O-CB 3.43Å; V236-V242 PolarHBondContact O-N 3.36Å; V236-L268 HydrophobicContact CG2-CD1 4.24Å; V236-L268 HydrophobicContact CG2-CD2 4.35Å |
| 237 | L | 78.6 | Confident | 81 | Confident | 34 Ų | 34 | 37.1 Ų | 37.1 | 18% | 0.178 | 21% | 0.206 | C | C | . | . | I | π-helix | trans | -84.5 | -38.2 | -170.5 | -61.4 | 170.3 | 0 | 0 | 0 | 112.9 | A233 V244 T384 F385 | A233-L237 HydrophobicContact CB-CD1 4.36Å; A233-L237 WeakPolarHBondContact O-CB 3.37Å; A233-L237 WeakPolarHBondContact O-CD1 3.38Å; A233-L237 WeakPolarHBondContact O-CG 3.44Å; A233-L237 PolarHBondContact O-N 3.14Å; L237-V244 HydrophobicContact CD2-CG2 3.49Å; L237-V244 VanDerWaalsContact CD2-CG2 3.49Å; L237-T384 HydrophobicContact CD1-CG2 3.39Å; L237-T384 HydrophobicContact CD2-CG2 4.44Å; L237-F385 HydrophobicContact CB-CZ 3.96Å; L237-F385 HydrophobicContact CD1-CE1 4.2Å; L237-F385 HydrophobicContact CD1-CZ 4.31Å |
| 238 | L | 78.4 | Confident | 79.4 | Confident | 33 Ų | 33 | 38.4 Ų | 38.4 | 17% | 0.173 | 22% | 0.22 | C | C | . | . | I | π-helix | trans | -95.3 | -53.3 | -176.1 | -163 | 88.6 | 0 | 0 | 0 | 112.4 | L133 F234 R381 F385 | L133-L238 HydrophobicContact CG-CD2 4.33Å; F234-L238 HydrophobicContact CD2-CB 4.15Å; F234-L238 HydrophobicContact CD2-CD2 4.22Å; F234-L238 HydrophobicContact CE1-CD2 4.19Å; F234-L238 HydrophobicContact CE2-CB 4.11Å; F234-L238 HydrophobicContact CE2-CD2 3.34Å; F234-L238 HydrophobicContact CE2-CG 4.21Å; F234-L238 HydrophobicContact CZ-CB 4.41Å; F234-L238 HydrophobicContact CZ-CD2 3.32Å; F234-L238 HydrophobicContact CZ-CG 4.43Å; F234-L238 WeakPolarHBondContact O-CA 3.22Å; F234-L238 WeakPolarHBondContact O-CB 3.28Å; F234-L238 PolarHBondContact O-N 3.23Å; L238-R381 VanDerWaalsContact CD1-NE 3.27Å; L238-F385 HydrophobicContact CB-CZ 4.25Å; L238-F385 HydrophobicContact CD1-CE2 4.35Å |
| 239 | I | 77 | Confident | 77.8 | Confident | 53 Ų | 53 | 41.9 Ų | 41.9 | 27% | 0.272 | 24% | 0.235 | S | C | . | . | I | π-helix | trans | -77.1 | -47.2 | -170.2 | -57.2 | -60 | 0 | 0 | 0 | 110.5 | L133 F192 F234 D235 N241 | L133-I239 HydrophobicContact CD1-CD1 3.88Å; F192-I239 HydrophobicContact CB-CD1 4.28Å; F192-I239 HydrophobicContact CD1-CD1 4.13Å; F192-I239 HydrophobicContact CD1-CG1 4.27Å; F192-I239 HydrophobicContact CD1-CG2 3.99Å; F192-I239 HydrophobicContact CD2-CD1 3.95Å; F192-I239 HydrophobicContact CD2-CG1 4.27Å; F192-I239 HydrophobicContact CE1-CD1 4.44Å; F192-I239 HydrophobicContact CE1-CG1 4.08Å; F192-I239 HydrophobicContact CE1-CG2 3.84Å; F192-I239 HydrophobicContact CE2-CD1 4.29Å; F192-I239 HydrophobicContact CE2-CG1 4.1Å; F192-I239 HydrophobicContact CG-CD1 3.87Å; F192-I239 HydrophobicContact CG-CG1 4.36Å; F192-I239 HydrophobicContact CZ-CG1 3.99Å; F234-I239 HydrophobicContact CD1-CG1 4.34Å; F234-I239 HydrophobicContact CE1-CD1 3.97Å; F234-I239 HydrophobicContact CE1-CG1 4.01Å; F234-I239 HydrophobicContact CZ-CD1 4.44Å; F234-I239 PolarHBondContact O-N 2.89Å; D235-I239 WeakPolarHBondContact O-CB 3.5Å; D235-I239 PolarHBondContact O-N 3.02Å; I239-N241 VanDerWaalsContact C-N 3.28Å |
| 240 | C | 74.1 | Confident | 76.3 | Confident | 22 Ų | 22 | 44.5 Ų | 44.5 | 15% | 0.149 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -83.1 | -6.1 | 176.7 | -65.9 | 0 | 0 | 0 | 0 | 113.2 | D235 V242 | D235-C240 PolarHBondContact O-N 2.92Å; C240-V242 HydrophobicContact CB-CG2 3.69Å; C240-V242 PolarHBondContact O-N 2.97Å; C240-V242 VanDerWaalsContact O-N 3.1Å |
| 241 | N | 72.6 | Confident | 74.7 | Confident | 101 Ų | 101 | 50.4 Ų | 50.4 | 54% | 0.54 | 27% | 0.266 | S | S | . | . | trans | 48.6 | 36.2 | -179 | -166.9 | 35.8 | 0 | 0 | 0 | 113.1 | I239 N243 | I239-N241 VanDerWaalsContact C-N 3.28Å; N241-N243 PolarHBondContact O-N 2.89Å | ||
| 242 | V | 69.8 | Low | 73.2 | Confident | 22 Ų | 22 | 57.2 Ų | 57.2 | 13% | 0.133 | 30% | 0.301 | C | S | . | . | trans | -75.3 | 117.6 | -175.5 | 178.5 | 0 | 0 | 0 | 0 | 109.3 | V236 C240 V244 L247 I263 | V236-V242 HydrophobicContact CG1-CB 4.11Å; V236-V242 HydrophobicContact CG1-CG2 4.4Å; V236-V242 WeakPolarHBondContact O-CB 3.43Å; V236-V242 PolarHBondContact O-N 3.36Å; C240-V242 HydrophobicContact CB-CG2 3.69Å; C240-V242 PolarHBondContact O-N 2.97Å; C240-V242 VanDerWaalsContact O-N 3.1Å; V242-V244 PolarHBondContact O-N 3.48Å; V242-L247 HydrophobicContact CG1-CB 4.3Å; V242-L247 HydrophobicContact CG1-CD2 3.91Å; V242-I263 HydrophobicContact CG2-CD1 4.2Å; V242-I263 HydrophobicContact CG2-CG1 4.45Å | ||
| 243 | N | 67.4 | Low | 72 | Confident | 42 Ų | 42 | 62.8 Ų | 62.8 | 23% | 0.225 | 32% | 0.321 | C | S | . | . | trans | -78.7 | 104.7 | 171.1 | -172.7 | -3 | 0 | 0 | 0 | 109.9 | N241 Y245 E246 L247 | N241-N243 PolarHBondContact O-N 2.89Å; N243-Y245 PolarHBondContact O-N 3.23Å; N243-Y245 PolarHBondContact OD1-N 2.92Å; N243-E246 HydrophobicContact CB-CB 3.92Å; N243-E246 PolarHBondContact O-N 3.45Å; N243-E246 VanDerWaalsContact O-N 3.1Å; N243-L247 PolarHBondContact O-N 3.05Å | ||
| 244 | V | 66 | Low | 70.4 | Confident | 60 Ų | 60 | 73 Ų | 73 | 36% | 0.364 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -57.4 | -36.6 | -176.8 | -177.2 | 0 | 0 | 0 | 0 | 112.2 | L237 V242 G248 L372 | L237-V244 HydrophobicContact CD2-CG2 3.49Å; L237-V244 VanDerWaalsContact CD2-CG2 3.49Å; V242-V244 PolarHBondContact O-N 3.48Å; V244-G248 PolarHBondContact O-N 3.29Å; V244-L372 HydrophobicContact CB-CD2 3.74Å; V244-L372 HydrophobicContact CG1-CD2 3.63Å; V244-L372 HydrophobicContact CG2-CD2 4.41Å |
| 245 | Y | 64.6 | Low | 68.9 | Low | 121 Ų | 121 | 81 Ų | 81 | 48% | 0.475 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64.5 | -45.1 | 177.4 | 175.8 | -97.1 | 0 | 0 | 0 | 111.6 | N243 G248 H249 L372 C373 | N243-Y245 PolarHBondContact O-N 3.23Å; N243-Y245 PolarHBondContact OD1-N 2.92Å; Y245-G248 PolarHBondContact O-N 3.33Å; Y245-H249 VanDerWaalsContact O-CB 3.26Å; Y245-H249 WeakPolarHBondContact O-CB 3.32Å; Y245-H249 PolarHBondContact O-N 3.29Å; Y245-L372 WeakPolarHBondContact CB-O 3.34Å; Y245-C373 HydrophobicContact CD2-CB 4.46Å |
| 246 | E | 65.9 | Low | 67 | Low | 77 Ų | 77 | 89.2 Ų | 89.2 | 36% | 0.36 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -69.9 | -39.2 | -178.9 | -168.8 | 155.3 | -162.2 | 0 | 0 | 111.8 | N243 R250 | N243-E246 HydrophobicContact CB-CB 3.92Å; N243-E246 PolarHBondContact O-N 3.45Å; N243-E246 VanDerWaalsContact O-N 3.1Å; E246-R250 VanDerWaalsContact O-CB 3.31Å; E246-R250 WeakPolarHBondContact O-CB 3.4Å; E246-R250 WeakPolarHBondContact O-CG 3.13Å; E246-R250 PolarHBondContact O-N 3.44Å; E246-R250 IonicContact OE1-CZ 3.39Å; E246-R250 IonicContact OE1-NE 2.75Å; E246-R250 IonicContact OE1-NH2 3.87Å; E246-R250 PolarHBondContact OE1-NH2 3.04Å |
| 247 | L | 64.6 | Low | 65.6 | Low | 69 Ų | 69 | 90.1 Ų | 90.1 | 36% | 0.361 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62.6 | -48.8 | 172.4 | -175.8 | 67.6 | 0 | 0 | 0 | 111.5 | V242 N243 R250 L251 | V242-L247 HydrophobicContact CG1-CB 4.3Å; V242-L247 HydrophobicContact CG1-CD2 3.91Å; N243-L247 PolarHBondContact O-N 3.05Å; L247-R250 PolarHBondContact O-N 3.47Å; L247-L251 HydrophobicContact CD1-CD1 4.17Å; L247-L251 HydrophobicContact CD1-CG 4.45Å; L247-L251 HydrophobicContact CG-CD1 3.88Å; L247-L251 WeakPolarHBondContact O-CB 3.32Å; L247-L251 VanDerWaalsContact O-CG 3.26Å; L247-L251 WeakPolarHBondContact O-CG 3.37Å; L247-L251 PolarHBondContact O-N 3.15Å |
| 248 | G | 62.8 | Low | 64.2 | Low | 28 Ų | 28 | 93.7 Ų | 93.7 | 29% | 0.289 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.6 | -43.9 | 180 | 0 | 0 | 0 | 0 | 0 | 112.7 | V244 Y245 L251 L252 | V244-G248 PolarHBondContact O-N 3.29Å; Y245-G248 PolarHBondContact O-N 3.33Å; G248-L251 PolarHBondContact O-N 3.13Å; G248-L252 WeakPolarHBondContact O-CB 3.28Å; G248-L252 WeakPolarHBondContact O-CD1 3.45Å; G248-L252 WeakPolarHBondContact O-CG 3.35Å; G248-L252 PolarHBondContact O-N 3.37Å |
| 249 | H | 63.5 | Low | 63.1 | Low | 94 Ų | 94 | 95.3 Ų | 95.3 | 44% | 0.435 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.2 | -45.9 | 176.4 | -165.3 | 73.1 | 0 | 0 | 0 | 111.2 | Y245 L251 L252 F253 | Y245-H249 VanDerWaalsContact O-CB 3.26Å; Y245-H249 WeakPolarHBondContact O-CB 3.32Å; Y245-H249 PolarHBondContact O-N 3.29Å; H249-L251 PolarHBondContact O-N 3.13Å; H249-L252 PolarHBondContact O-N 2.87Å; H249-F253 AromaticContact CE1-CD2 3.63Å; H249-F253 AromaticContact CE1-CE2 3.28Å; H249-F253 WeakPolarHBondContact CE1-CE2 3.3Å; H249-F253 AromaticContact ND1-CD2 3.75Å; H249-F253 AromaticContact ND1-CE2 3.5Å; H249-F253 WeakPolarHBondContact ND1-CE2 3.22Å; H249-F253 AromaticContact NE2-CD2 3.85Å; H249-F253 AromaticContact NE2-CE2 3.93Å; H249-F253 WeakPolarHBondContact O-CD2 3.39Å; H249-F253 PolarHBondContact O-N 3.5Å |
| 250 | R | 63.8 | Low | 62.2 | Low | 89 Ų | 89 | 97.9 Ų | 97.9 | 34% | 0.336 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -68 | -33.7 | 179 | -70.7 | 174.6 | -175.8 | -177.6 | 0.6 | 113.4 | E246 L247 F253 R254 K255 E259 | E246-R250 VanDerWaalsContact O-CB 3.31Å; E246-R250 WeakPolarHBondContact O-CB 3.4Å; E246-R250 WeakPolarHBondContact O-CG 3.13Å; E246-R250 PolarHBondContact O-N 3.44Å; E246-R250 IonicContact OE1-CZ 3.39Å; E246-R250 IonicContact OE1-NE 2.75Å; E246-R250 IonicContact OE1-NH2 3.87Å; E246-R250 PolarHBondContact OE1-NH2 3.04Å; L247-R250 PolarHBondContact O-N 3.47Å; R250-F253 CarbonylContact O-C 3.57Å; R250-R254 PolarHBondContact O-N 2.89Å; R250-K255 PolarHBondContact O-N 2.99Å; R250-E259 IonicContact CZ-OE1 3.94Å; R250-E259 IonicContact CZ-OE2 3.23Å; R250-E259 IonicContact NH1-OE1 2.65Å; R250-E259 PolarHBondContact NH1-OE1 3.11Å; R250-E259 IonicContact NH1-OE2 3.6Å; R250-E259 PolarHBondContact NH1-OE2 3.43Å |
| 251 | L | 61.7 | Low | 61.3 | Low | 124 Ų | 124 | 100.7 Ų | 100.7 | 65% | 0.649 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -68.3 | -42.7 | 174.4 | -77.4 | 168.5 | 0 | 0 | 0 | 112.3 | L247 G248 H249 F253 R254 | L247-L251 HydrophobicContact CD1-CD1 4.17Å; L247-L251 HydrophobicContact CD1-CG 4.45Å; L247-L251 HydrophobicContact CG-CD1 3.88Å; L247-L251 WeakPolarHBondContact O-CB 3.32Å; L247-L251 VanDerWaalsContact O-CG 3.26Å; L247-L251 WeakPolarHBondContact O-CG 3.37Å; L247-L251 PolarHBondContact O-N 3.15Å; G248-L251 PolarHBondContact O-N 3.13Å; H249-L251 PolarHBondContact O-N 3.13Å; L251-F253 VanDerWaalsContact C-N 3.31Å; L251-F253 PolarHBondContact O-N 3.47Å; L251-R254 PolarHBondContact O-N 3.26Å |
| 252 | L | 64.5 | Low | 60.7 | Low | 145 Ų | 145 | 101.7 Ų | 101.7 | 76% | 0.759 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.7 | -34.5 | 175.7 | -78.6 | 160.4 | 0 | 0 | 0 | 112.2 | G248 H249 | G248-L252 WeakPolarHBondContact O-CB 3.28Å; G248-L252 WeakPolarHBondContact O-CD1 3.45Å; G248-L252 WeakPolarHBondContact O-CG 3.35Å; G248-L252 PolarHBondContact O-N 3.37Å; H249-L252 PolarHBondContact O-N 2.87Å |
| 253 | F | 67.6 | Low | 60.2 | Low | 142 Ų | 142 | 102.3 Ų | 102.3 | 62% | 0.623 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.3 | 13.5 | -179.3 | -67.8 | -72.2 | 0 | 0 | 0 | 114.7 | H249 R250 L251 K255 | H249-F253 AromaticContact CE1-CD2 3.63Å; H249-F253 AromaticContact CE1-CE2 3.28Å; H249-F253 WeakPolarHBondContact CE1-CE2 3.3Å; H249-F253 AromaticContact ND1-CD2 3.75Å; H249-F253 AromaticContact ND1-CE2 3.5Å; H249-F253 WeakPolarHBondContact ND1-CE2 3.22Å; H249-F253 AromaticContact NE2-CD2 3.85Å; H249-F253 AromaticContact NE2-CE2 3.93Å; H249-F253 WeakPolarHBondContact O-CD2 3.39Å; H249-F253 PolarHBondContact O-N 3.5Å; R250-F253 CarbonylContact O-C 3.57Å; L251-F253 VanDerWaalsContact C-N 3.31Å; L251-F253 PolarHBondContact O-N 3.47Å; F253-K255 VanDerWaalsContact C-N 3.33Å; F253-K255 PolarHBondContact O-N 2.85Å; F253-K255 VanDerWaalsContact O-N 3.12Å |
| 254 | R | 55.8 | Low | 59.8 | Low | 236 Ų | 236 | 105 Ų | 105 | 89% | 0.891 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48 | 41 | 167.1 | -117.5 | -175.5 | -173.1 | -177.2 | 2.2 | 115.7 | R250 L251 | R250-R254 PolarHBondContact O-N 2.89Å; L251-R254 PolarHBondContact O-N 3.26Å |
| 255 | K | 58 | Low | 59.4 | Low | 167 Ų | 167 | 112.3 Ų | 112.3 | 73% | 0.726 | 55% | 0.546 | S | S | * | . | trans | -86.3 | 128.3 | 170.2 | -84.8 | -176.4 | 173.8 | 178.5 | 0 | 110.7 | R250 F253 | R250-K255 PolarHBondContact O-N 2.99Å; F253-K255 VanDerWaalsContact C-N 3.33Å; F253-K255 PolarHBondContact O-N 2.85Å; F253-K255 VanDerWaalsContact O-N 3.12Å | ||
| 256 | N | 48 | Very low | 59.4 | Low | 172 Ų | 172 | 108.8 Ų | 108.8 | 92% | 0.92 | 54% | 0.538 | S | S | * | . | trans | -60.9 | 132.9 | 172.7 | -81.2 | -14.6 | 0 | 0 | 0 | 110.7 | ||||
| 257 | S | 52.3 | Low | 59.8 | Low | 61 Ų | 61 | 105.7 Ų | 105.7 | 43% | 0.427 | 53% | 0.526 | S | S | . | . | trans | -119.4 | 130.2 | -168.8 | 58.2 | 0 | 0 | 0 | 0 | 114.3 | E259 | S257-E259 VanDerWaalsContact C-N 3.26Å; S257-E259 PolarHBondContact O-N 3.49Å | ||
| 258 | P | 50.7 | Low | 60.7 | Low | 109 Ų | 109 | 103 Ų | 103 | 71% | 0.708 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -15.9 | 167.4 | 25 | -29.8 | 0 | 0 | 0 | 113.8 | L260 S261 | P258-L260 PolarHBondContact O-N 3.02Å; P258-S261 PolarHBondContact O-N 2.91Å; P258-S261 PolarHBondContact O-OG 2.98Å |
| 259 | E | 54.7 | Low | 61.7 | Low | 67 Ų | 67 | 106.8 Ų | 106.8 | 31% | 0.313 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.8 | -31.5 | 178.8 | -103.5 | 165.8 | -166.3 | 0 | 0 | 114.5 | R250 S257 S261 E262 I263 | R250-E259 IonicContact CZ-OE1 3.94Å; R250-E259 IonicContact CZ-OE2 3.23Å; R250-E259 IonicContact NH1-OE1 2.65Å; R250-E259 PolarHBondContact NH1-OE1 3.11Å; R250-E259 IonicContact NH1-OE2 3.6Å; R250-E259 PolarHBondContact NH1-OE2 3.43Å; S257-E259 VanDerWaalsContact C-N 3.26Å; S257-E259 PolarHBondContact O-N 3.49Å; E259-S261 PolarHBondContact O-N 3.29Å; E259-E262 WeakPolarHBondContact O-CB 3.42Å; E259-E262 PolarHBondContact O-N 3.44Å; E259-I263 WeakPolarHBondContact O-CG1 3.38Å; E259-I263 PolarHBondContact O-N 2.84Å |
| 260 | L | 56.8 | Low | 62.7 | Low | 108 Ų | 108 | 109.9 Ų | 109.9 | 57% | 0.565 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63.5 | -35.2 | -179.5 | -167.6 | 72.9 | 0 | 0 | 0 | 111.1 | P258 E262 L264 | P258-L260 PolarHBondContact O-N 3.02Å; L260-E262 VanDerWaalsContact C-N 3.3Å; L260-E262 PolarHBondContact O-N 3.47Å; L260-L264 HydrophobicContact CG-CD1 4.12Å; L260-L264 WeakPolarHBondContact O-CB 3.41Å; L260-L264 VanDerWaalsContact O-CD1 3.27Å; L260-L264 WeakPolarHBondContact O-CD1 3.41Å; L260-L264 PolarHBondContact O-N 3.44Å |
| 261 | S | 56.9 | Low | 63.9 | Low | 81 Ų | 81 | 105.9 Ų | 105.9 | 57% | 0.566 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.7 | -33.7 | 174.4 | 80.4 | 0 | 0 | 0 | 0 | 112.2 | P258 E259 L264 R265 | P258-S261 PolarHBondContact O-N 2.91Å; P258-S261 PolarHBondContact O-OG 2.98Å; E259-S261 PolarHBondContact O-N 3.29Å; S261-L264 PolarHBondContact O-N 3.04Å; S261-R265 VanDerWaalsContact O-CB 3.27Å; S261-R265 WeakPolarHBondContact O-CB 3.07Å; S261-R265 PolarHBondContact O-N 3.04Å |
| 262 | E | 58.5 | Low | 65.3 | Low | 121 Ų | 121 | 102.1 Ų | 102.1 | 57% | 0.565 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -76.3 | -38.7 | 179.8 | -139.2 | 174.8 | -171.9 | 0 | 0 | 111.8 | E259 L260 L264 R265 T266 | E259-E262 WeakPolarHBondContact O-CB 3.42Å; E259-E262 PolarHBondContact O-N 3.44Å; L260-E262 VanDerWaalsContact C-N 3.3Å; L260-E262 PolarHBondContact O-N 3.47Å; E262-L264 VanDerWaalsContact C-N 3.34Å; E262-R265 PolarHBondContact O-N 2.83Å; E262-T266 WeakPolarHBondContact O-CG2 3.33Å; E262-T266 PolarHBondContact O-N 3.34Å; E262-T266 PolarHBondContact O-OG1 2.71Å |
| 263 | I | 60.4 | Low | 66.6 | Low | 35 Ų | 35 | 97.1 Ų | 97.1 | 18% | 0.179 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -64.6 | -38.9 | 170.9 | -66.3 | 168.4 | 0 | 0 | 0 | 110.9 | V242 E259 T266 L268 | V242-I263 HydrophobicContact CG2-CD1 4.2Å; V242-I263 HydrophobicContact CG2-CG1 4.45Å; E259-I263 WeakPolarHBondContact O-CG1 3.38Å; E259-I263 PolarHBondContact O-N 2.84Å; I263-T266 PolarHBondContact O-OG1 2.9Å; I263-L268 HydrophobicContact CG2-CB 4.21Å; I263-L268 HydrophobicContact CG2-CD2 3.52Å; I263-L268 HydrophobicContact CG2-CG 4.48Å |
| 264 | L | 58.6 | Low | 67.8 | Low | 100 Ų | 100 | 92.6 Ų | 92.6 | 52% | 0.524 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66.4 | -38.8 | 171.2 | -100.1 | 113.9 | 0 | 0 | 0 | 112.1 | L260 S261 E262 T266 G267 L269 | L260-L264 HydrophobicContact CG-CD1 4.12Å; L260-L264 WeakPolarHBondContact O-CB 3.41Å; L260-L264 VanDerWaalsContact O-CD1 3.27Å; L260-L264 WeakPolarHBondContact O-CD1 3.41Å; L260-L264 PolarHBondContact O-N 3.44Å; S261-L264 PolarHBondContact O-N 3.04Å; E262-L264 VanDerWaalsContact C-N 3.34Å; L264-T266 VanDerWaalsContact C-N 3.34Å; L264-T266 PolarHBondContact O-N 3.47Å; L264-G267 PolarHBondContact O-N 2.69Å; L264-L269 HydrophobicContact CD1-CD1 4.13Å; L264-L269 HydrophobicContact CD2-CD1 3.83Å; L264-L269 HydrophobicContact CG-CD1 3.69Å |
| 265 | R | 57.3 | Low | 69.6 | Low | 212 Ų | 212 | 81.7 Ų | 81.7 | 80% | 0.8 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -68.2 | -30.3 | -179.7 | -167.9 | 175.7 | 174.8 | -171.1 | -2.1 | 112.9 | S261 E262 G267 | S261-R265 VanDerWaalsContact O-CB 3.27Å; S261-R265 WeakPolarHBondContact O-CB 3.07Å; S261-R265 PolarHBondContact O-N 3.04Å; E262-R265 PolarHBondContact O-N 2.83Å; R265-G267 PolarHBondContact O-N 2.7Å |
| 266 | T | 64.1 | Low | 71.3 | Confident | 48 Ų | 48 | 77 Ų | 77 | 29% | 0.294 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | 0.8 | 175.4 | 48.9 | 0 | 0 | 0 | 0 | 113.9 | E262 I263 L264 L268 R271 | E262-T266 WeakPolarHBondContact O-CG2 3.33Å; E262-T266 PolarHBondContact O-N 3.34Å; E262-T266 PolarHBondContact O-OG1 2.71Å; I263-T266 PolarHBondContact O-OG1 2.9Å; L264-T266 VanDerWaalsContact C-N 3.34Å; L264-T266 PolarHBondContact O-N 3.47Å; T266-L268 VanDerWaalsContact C-N 3.33Å; T266-L268 PolarHBondContact O-N 3.15Å; T266-R271 PolarHBondContact O-NH1 3.42Å |
| 267 | G | 76.2 | Confident | 73.6 | Confident | 11 Ų | 11 | 74.2 Ų | 74.2 | 11% | 0.113 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.6 | 13.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | L264 R265 L269 K270 R271 | L264-G267 PolarHBondContact O-N 2.69Å; R265-G267 PolarHBondContact O-N 2.7Å; G267-L269 PolarHBondContact O-N 2.73Å; G267-K270 PolarHBondContact O-N 2.99Å; G267-K270 VanDerWaalsContact O-N 3.15Å; G267-R271 PolarHBondContact O-N 3.4Å |
| 268 | L | 82.3 | Confident | 75.7 | Confident | 13 Ų | 13 | 72 Ų | 72 | 7% | 0.068 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -55.3 | -47.6 | -178.7 | 179.5 | 64.5 | 0 | 0 | 0 | 112.5 | D235 V236 I263 T266 K270 R271 L272 | D235-L268 HydrophobicContact CB-CD1 4.19Å; D235-L268 WeakPolarHBondContact OD2-CD1 3.47Å; V236-L268 HydrophobicContact CG2-CD1 4.24Å; V236-L268 HydrophobicContact CG2-CD2 4.35Å; I263-L268 HydrophobicContact CG2-CB 4.21Å; I263-L268 HydrophobicContact CG2-CD2 3.52Å; I263-L268 HydrophobicContact CG2-CG 4.48Å; T266-L268 VanDerWaalsContact C-N 3.33Å; T266-L268 PolarHBondContact O-N 3.15Å; L268-K270 PolarHBondContact O-N 3.4Å; L268-R271 PolarHBondContact O-N 3.32Å; L268-R271 VanDerWaalsContact O-N 3.11Å; L268-L272 HydrophobicContact CD1-CD1 3.84Å; L268-L272 HydrophobicContact CD1-CD2 4.44Å; L268-L272 HydrophobicContact CD1-CG 3.85Å; L268-L272 HydrophobicContact CD2-CD1 4.28Å; L268-L272 HydrophobicContact CG-CD1 3.81Å; L268-L272 HydrophobicContact CG-CG 4.17Å; L268-L272 PolarHBondContact O-N 3.19Å |
| 269 | L | 83.3 | Confident | 77.8 | Confident | 108 Ų | 108 | 67 Ų | 67 | 57% | 0.565 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -59.9 | -35.9 | -179.9 | -69.2 | 178.3 | 0 | 0 | 0 | 112.3 | L264 G267 G273 | L264-L269 HydrophobicContact CD1-CD1 4.13Å; L264-L269 HydrophobicContact CD2-CD1 3.83Å; L264-L269 HydrophobicContact CG-CD1 3.69Å; G267-L269 PolarHBondContact O-N 2.73Å; L269-G273 WeakPolarHBondContact O-CA 3.49Å; L269-G273 PolarHBondContact O-N 3.18Å |
| 270 | K | 86 | Confident | 79.8 | Confident | 159 Ų | 159 | 69.4 Ų | 69.4 | 69% | 0.691 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -68.1 | -41.8 | 176.9 | -67.7 | -177.9 | 179.4 | 177.5 | 0 | 111.1 | F202 G267 L268 L274 | F202-K270 HydrophobicContact CE1-CB 4.13Å; F202-K270 HydrophobicContact CZ-CB 4.18Å; G267-K270 PolarHBondContact O-N 2.99Å; G267-K270 VanDerWaalsContact O-N 3.15Å; L268-K270 PolarHBondContact O-N 3.4Å; K270-L274 VanDerWaalsContact O-CB 3.31Å; K270-L274 WeakPolarHBondContact O-CB 3.46Å; K270-L274 PolarHBondContact O-N 3.19Å |
| 271 | R | 89.1 | Confident | 81.7 | Confident | 4 Ų | 4 | 67.3 Ų | 67.3 | 2% | 0.015 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -67.8 | -50.4 | 178.3 | -68.7 | -168.6 | -61.2 | -85.1 | 2.1 | 111.9 | F202 D235 T266 G267 L268 G273 L274 M275 | F202-R271 HydrophobicContact CD1-CG 3.7Å; F202-R271 HydrophobicContact CD2-CG 3.81Å; F202-R271 HydrophobicContact CE1-CG 3.62Å; F202-R271 HydrophobicContact CE2-CG 3.73Å; F202-R271 HydrophobicContact CG-CG 3.8Å; F202-R271 HydrophobicContact CZ-CG 3.64Å; D235-R271 IonicContact OD1-CZ 3.21Å; D235-R271 IonicContact OD1-NE 3.29Å; D235-R271 PolarHBondContact OD1-NE 3.48Å; D235-R271 IonicContact OD1-NH2 2.75Å; D235-R271 PolarHBondContact OD1-NH2 3.26Å; D235-R271 WeakPolarHBondContact OD2-CB 3.38Å; D235-R271 IonicContact OD2-CZ 2.8Å; D235-R271 IonicContact OD2-NE 2.92Å; D235-R271 PolarHBondContact OD2-NE 2.87Å; D235-R271 IonicContact OD2-NH2 3.83Å; T266-R271 PolarHBondContact O-NH1 3.42Å; G267-R271 PolarHBondContact O-N 3.4Å; L268-R271 PolarHBondContact O-N 3.32Å; L268-R271 VanDerWaalsContact O-N 3.11Å; R271-G273 VanDerWaalsContact C-N 3.3Å; R271-G273 PolarHBondContact O-N 3.24Å; R271-L274 PolarHBondContact O-N 2.96Å; R271-M275 WeakPolarHBondContact O-CB 3.44Å; R271-M275 WeakPolarHBondContact O-CG 3.42Å; R271-M275 PolarHBondContact O-N 3.06Å |
| 272 | L | 90.1 | Very high | 83.6 | Confident | 46 Ų | 46 | 65.1 Ų | 65.1 | 24% | 0.241 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62 | -39 | 176.1 | -67.2 | -178.4 | 0 | 0 | 0 | 111.5 | A232 L268 M275 S276 | A232-L272 HydrophobicContact CB-CD2 3.73Å; L268-L272 HydrophobicContact CD1-CD1 3.84Å; L268-L272 HydrophobicContact CD1-CD2 4.44Å; L268-L272 HydrophobicContact CD1-CG 3.85Å; L268-L272 HydrophobicContact CD2-CD1 4.28Å; L268-L272 HydrophobicContact CG-CD1 3.81Å; L268-L272 HydrophobicContact CG-CG 4.17Å; L268-L272 PolarHBondContact O-N 3.19Å; L272-M275 PolarHBondContact O-N 3.43Å; L272-S276 WeakPolarHBondContact O-CB 3.31Å; L272-S276 PolarHBondContact O-N 3.31Å; L272-S276 PolarHBondContact O-OG 3.11Å |
| 273 | G | 91.1 | Very high | 85.2 | Confident | 39 Ų | 39 | 63.4 Ų | 63.4 | 40% | 0.402 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.5 | -47 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L269 R271 S276 L277 | L269-G273 WeakPolarHBondContact O-CA 3.49Å; L269-G273 PolarHBondContact O-N 3.18Å; R271-G273 VanDerWaalsContact C-N 3.3Å; R271-G273 PolarHBondContact O-N 3.24Å; G273-S276 PolarHBondContact O-N 2.96Å; G273-L277 VanDerWaalsContact O-CB 3.31Å; G273-L277 WeakPolarHBondContact O-CB 3.2Å; G273-L277 PolarHBondContact O-N 3.22Å |
| 274 | L | 92.9 | Very high | 86.8 | Confident | 48 Ų | 48 | 68.2 Ų | 68.2 | 25% | 0.251 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.7 | -44.5 | 177.3 | -178.4 | 61.2 | 0 | 0 | 0 | 111.9 | V204 V207 L211 K270 R271 G278 | V204-L274 HydrophobicContact CG1-CD2 4.06Å; V207-L274 HydrophobicContact CB-CD2 3.95Å; V207-L274 HydrophobicContact CG1-CD2 3.53Å; V207-L274 HydrophobicContact CG1-CG 4.09Å; L211-L274 HydrophobicContact CD1-CG 4.3Å; K270-L274 VanDerWaalsContact O-CB 3.31Å; K270-L274 WeakPolarHBondContact O-CB 3.46Å; K270-L274 PolarHBondContact O-N 3.19Å; R271-L274 PolarHBondContact O-N 2.96Å; L274-G278 PolarHBondContact O-N 2.87Å |
| 275 | M | 94.4 | Very high | 88.5 | Confident | 7 Ų | 7 | 65.6 Ų | 65.6 | 3% | 0.034 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -65.8 | -41.4 | 176.9 | -71.3 | 172.1 | 56.5 | 0 | 0 | 112.3 | Y188 V207 L228 N231 A232 R271 L272 G278 G279 | Y188-M275 HydrophobicContact CD2-SD 4.49Å; Y188-M275 HydrophobicContact CE2-CG 4.45Å; Y188-M275 HydrophobicContact CE2-SD 3.57Å; Y188-M275 VanDerWaalsContact CE2-SD 3.57Å; V207-M275 HydrophobicContact CG1-CG 4.43Å; L228-M275 HydrophobicContact CB-CE 4.22Å; L228-M275 HydrophobicContact CD2-CE 4.33Å; L228-M275 WeakPolarHBondContact O-CE 3.23Å; N231-M275 HydrophobicContact CB-CE 3.38Å; N231-M275 HydrophobicContact CB-SD 4.27Å; A232-M275 HydrophobicContact CB-CE 4.22Å; R271-M275 WeakPolarHBondContact O-CB 3.44Å; R271-M275 WeakPolarHBondContact O-CG 3.42Å; R271-M275 PolarHBondContact O-N 3.06Å; L272-M275 PolarHBondContact O-N 3.43Å; M275-G278 PolarHBondContact O-N 3.48Å; M275-G279 PolarHBondContact O-N 2.84Å |
| 276 | S | 94.6 | Very high | 90.1 | Very high | 69 Ų | 69 | 57 Ų | 57 | 48% | 0.483 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -66.4 | -44 | 178.3 | -58.5 | 0 | 0 | 0 | 0 | 111.1 | L272 G273 G279 L280 | L272-S276 WeakPolarHBondContact O-CB 3.31Å; L272-S276 PolarHBondContact O-N 3.31Å; L272-S276 PolarHBondContact O-OG 3.11Å; G273-S276 PolarHBondContact O-N 2.96Å; S276-G279 PolarHBondContact O-N 3.46Å; S276-L280 WeakPolarHBondContact O-CB 3.5Å; S276-L280 VanDerWaalsContact O-CG 3.27Å; S276-L280 WeakPolarHBondContact O-CG 3.12Å; S276-L280 PolarHBondContact O-N 3.42Å |
| 277 | L | 95.9 | Very high | 91.3 | Very high | 112 Ų | 112 | 61.8 Ų | 61.8 | 59% | 0.586 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -61.4 | -45.4 | 175.4 | -177.3 | 66.1 | 0 | 0 | 0 | 111.2 | G273 S281 | G273-L277 VanDerWaalsContact O-CB 3.31Å; G273-L277 WeakPolarHBondContact O-CB 3.2Å; G273-L277 PolarHBondContact O-N 3.22Å; L277-S281 WeakPolarHBondContact O-CB 3.34Å; L277-S281 PolarHBondContact O-N 3.21Å; L277-S281 PolarHBondContact O-OG 3.32Å |
| 278 | G | 95.6 | Very high | 92 | Very high | 15 Ų | 15 | 70.4 Ų | 70.4 | 16% | 0.155 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -59.3 | -49.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L274 M275 S281 M282 | L274-G278 PolarHBondContact O-N 2.87Å; M275-G278 PolarHBondContact O-N 3.48Å; G278-S281 WeakPolarHBondContact O-CB 3.46Å; G278-S281 PolarHBondContact O-N 2.8Å; G278-M282 VanDerWaalsContact O-CG 3.26Å; G278-M282 WeakPolarHBondContact O-CG 3.45Å; G278-M282 PolarHBondContact O-N 3.35Å |
| 279 | G | 96.1 | Very high | 92.3 | Very high | 5 Ų | 5 | 73.2 Ų | 73.2 | 5% | 0.052 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -61 | -46.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | M275 S276 S281 M282 L283 | M275-G279 PolarHBondContact O-N 2.84Å; S276-G279 PolarHBondContact O-N 3.46Å; G279-S281 VanDerWaalsContact C-N 3.34Å; G279-S281 PolarHBondContact O-N 2.9Å; G279-M282 PolarHBondContact O-N 3.01Å; G279-L283 WeakPolarHBondContact O-CG 3.38Å; G279-L283 PolarHBondContact O-N 2.97Å |
| 280 | L | 96.4 | Very high | 92.4 | Very high | 117 Ų | 117 | 70.1 Ų | 70.1 | 61% | 0.613 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -61.9 | -41 | 175.8 | -73 | 170.4 | 0 | 0 | 0 | 111.9 | S276 M282 L283 Y284 | S276-L280 WeakPolarHBondContact O-CB 3.5Å; S276-L280 VanDerWaalsContact O-CG 3.27Å; S276-L280 WeakPolarHBondContact O-CG 3.12Å; S276-L280 PolarHBondContact O-N 3.42Å; L280-M282 VanDerWaalsContact C-N 3.33Å; L280-M282 PolarHBondContact O-N 2.89Å; L280-L283 PolarHBondContact O-N 2.91Å; L280-Y284 VanDerWaalsContact O-CB 3.3Å; L280-Y284 WeakPolarHBondContact O-CB 3.26Å; L280-Y284 PolarHBondContact O-N 3.48Å |
| 281 | S | 96.3 | Very high | 92.3 | Very high | 64 Ų | 64 | 64.2 Ų | 64.2 | 45% | 0.448 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.8 | -41.7 | 176.3 | -57.1 | 0 | 0 | 0 | 0 | 111.6 | L277 G278 G279 Y284 A285 | L277-S281 WeakPolarHBondContact O-CB 3.34Å; L277-S281 PolarHBondContact O-N 3.21Å; L277-S281 PolarHBondContact O-OG 3.32Å; G278-S281 WeakPolarHBondContact O-CB 3.46Å; G278-S281 PolarHBondContact O-N 2.8Å; G279-S281 VanDerWaalsContact C-N 3.34Å; G279-S281 PolarHBondContact O-N 2.9Å; S281-Y284 PolarHBondContact O-N 3.04Å; S281-A285 WeakPolarHBondContact O-CB 3.47Å; S281-A285 PolarHBondContact O-N 3.45Å |
| 282 | M | 95.6 | Very high | 91.2 | Very high | 34 Ų | 34 | 70 Ų | 70 | 17% | 0.167 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -67.4 | -43.4 | 177.7 | -69.9 | 166.8 | 51.8 | 0 | 0 | 112.3 | C214 G215 M218 I225 G278 G279 L280 A285 R286 | C214-M282 HydrophobicContact CB-CE 4.2Å; C214-M282 VanDerWaalsContact SG-CE 3.55Å; G215-M282 VanDerWaalsContact CA-CE 3.41Å; M218-M282 HydrophobicContact CB-CE 4.28Å; M218-M282 HydrophobicContact CG-CE 4.01Å; M218-M282 HydrophobicContact SD-CB 4.08Å; M218-M282 HydrophobicContact SD-CE 3.37Å; M218-M282 WeakPolarHBondContact SD-CE 3.45Å; I225-M282 HydrophobicContact CD1-CE 4.1Å; G278-M282 VanDerWaalsContact O-CG 3.26Å; G278-M282 WeakPolarHBondContact O-CG 3.45Å; G278-M282 PolarHBondContact O-N 3.35Å; G279-M282 PolarHBondContact O-N 3.01Å; L280-M282 VanDerWaalsContact C-N 3.33Å; L280-M282 PolarHBondContact O-N 2.89Å; M282-A285 PolarHBondContact O-N 3.49Å; M282-R286 WeakPolarHBondContact O-CB 3.42Å; M282-R286 PolarHBondContact O-N 2.75Å |
| 283 | L | 93.3 | Very high | 89.9 | Confident | 85 Ų | 85 | 69.7 Ų | 69.7 | 45% | 0.445 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.5 | -42.4 | 175.3 | -70.7 | 174.4 | 0 | 0 | 0 | 111.4 | M218 I225 G279 L280 R286 W287 | M218-L283 HydrophobicContact CE-CD2 4.42Å; I225-L283 HydrophobicContact CG1-CD2 4.48Å; G279-L283 WeakPolarHBondContact O-CG 3.38Å; G279-L283 PolarHBondContact O-N 2.97Å; L280-L283 PolarHBondContact O-N 2.91Å; L283-R286 PolarHBondContact O-N 2.83Å; L283-W287 WeakPolarHBondContact O-CB 3.27Å; L283-W287 PolarHBondContact O-N 3.34Å |
| 284 | Y | 94 | Very high | 88.8 | Confident | 136 Ų | 136 | 73 Ų | 73 | 53% | 0.533 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -62.4 | -46.5 | 175.5 | 177 | -100.2 | 0 | 0 | 0 | 111.9 | L280 S281 R286 W287 R288 | L280-Y284 VanDerWaalsContact O-CB 3.3Å; L280-Y284 WeakPolarHBondContact O-CB 3.26Å; L280-Y284 PolarHBondContact O-N 3.48Å; S281-Y284 PolarHBondContact O-N 3.04Å; Y284-R286 VanDerWaalsContact C-N 3.33Å; Y284-R286 PolarHBondContact O-N 2.98Å; Y284-W287 HydrophobicContact CD2-CE3 4Å; Y284-W287 HydrophobicContact CD2-CZ3 4.29Å; Y284-W287 HydrophobicContact CE2-CE3 4.02Å; Y284-W287 AromaticContact CE2-CZ3 3.9Å; Y284-W287 HydrophobicContact CE2-CZ3 3.9Å; Y284-W287 PolarHBondContact O-N 2.69Å; Y284-R288 WeakPolarHBondContact O-CB 3.33Å; Y284-R288 PolarHBondContact O-N 3.31Å |
| 285 | A | 93.1 | Very high | 87.6 | Confident | 45 Ų | 45 | 72.9 Ų | 72.9 | 37% | 0.372 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -59.4 | -44.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | S281 M282 R288 I289 | S281-A285 WeakPolarHBondContact O-CB 3.47Å; S281-A285 PolarHBondContact O-N 3.45Å; M282-A285 PolarHBondContact O-N 3.49Å; A285-R288 PolarHBondContact O-N 3.31Å; A285-I289 WeakPolarHBondContact O-CD1 3.47Å; A285-I289 VanDerWaalsContact O-CG1 3.27Å; A285-I289 WeakPolarHBondContact O-CG1 3.31Å; A285-I289 PolarHBondContact O-N 3.02Å; A285-I289 VanDerWaalsContact O-N 3.08Å |
| 286 | R | 91.1 | Very high | 86.5 | Confident | 32 Ų | 32 | 77.5 Ų | 77.5 | 12% | 0.121 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -63.8 | -44.4 | 177.5 | -174.6 | 171.3 | -172.4 | 135.1 | 3.3 | 112.2 | Y84 M218 E222 M282 L283 Y284 R288 I289 M290 | Y84-R286 PolarHBondContact O-NH2 3.41Å; M218-R286 HydrophobicContact CE-CB 4.16Å; M218-R286 VanDerWaalsContact CE-CD 3.42Å; M218-R286 HydrophobicContact CE-CG 4.42Å; M218-R286 PolarHBondContact O-NH1 3.39Å; E222-R286 IonicContact OE2-NH2 3.32Å; E222-R286 PolarHBondContact OE2-NH2 3.45Å; M282-R286 WeakPolarHBondContact O-CB 3.42Å; M282-R286 PolarHBondContact O-N 2.75Å; L283-R286 PolarHBondContact O-N 2.83Å; Y284-R286 VanDerWaalsContact C-N 3.33Å; Y284-R286 PolarHBondContact O-N 2.98Å; R286-R288 VanDerWaalsContact C-N 3.34Å; R286-R288 PolarHBondContact O-N 3.27Å; R286-I289 PolarHBondContact O-N 2.98Å; R286-M290 HydrophobicContact CG-CG 4.36Å; R286-M290 HydrophobicContact CG-SD 3.55Å; R286-M290 VanDerWaalsContact CG-SD 3.55Å; R286-M290 PolarHBondContact NE-SD 3.41Å; R286-M290 WeakPolarHBondContact O-CB 3.5Å; R286-M290 WeakPolarHBondContact O-CG 3.49Å; R286-M290 PolarHBondContact O-N 2.96Å |
| 287 | W | 89.2 | Confident | 85.8 | Confident | 149 Ų | 149 | 76.7 Ų | 76.7 | 56% | 0.564 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -59.7 | -44.2 | 175.7 | 175.6 | 67.1 | 0 | 0 | 0 | 111.6 | L283 Y284 I289 M290 G291 T292 | L283-W287 WeakPolarHBondContact O-CB 3.27Å; L283-W287 PolarHBondContact O-N 3.34Å; Y284-W287 HydrophobicContact CD2-CE3 4Å; Y284-W287 HydrophobicContact CD2-CZ3 4.29Å; Y284-W287 HydrophobicContact CE2-CE3 4.02Å; Y284-W287 AromaticContact CE2-CZ3 3.9Å; Y284-W287 HydrophobicContact CE2-CZ3 3.9Å; Y284-W287 PolarHBondContact O-N 2.69Å; W287-I289 VanDerWaalsContact C-N 3.31Å; W287-I289 PolarHBondContact O-N 3.26Å; W287-M290 PolarHBondContact O-N 3.44Å; W287-G291 PolarHBondContact O-N 3.13Å; W287-T292 HydrophobicContact CZ2-CG2 4.24Å |
| 288 | R | 91.1 | Very high | 85.3 | Confident | 191 Ų | 191 | 74.8 Ų | 74.8 | 72% | 0.721 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -60.7 | -38.2 | 176.7 | -169.8 | -172.5 | -176.3 | 179.6 | 4.3 | 112.8 | Y284 A285 R286 | Y284-R288 WeakPolarHBondContact O-CB 3.33Å; Y284-R288 PolarHBondContact O-N 3.31Å; A285-R288 PolarHBondContact O-N 3.31Å; R286-R288 VanDerWaalsContact C-N 3.34Å; R286-R288 PolarHBondContact O-N 3.27Å |
| 289 | I | 90.3 | Very high | 84.8 | Confident | 73 Ų | 73 | 80 Ų | 80 | 37% | 0.374 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -75.3 | -46.5 | -179 | -66.9 | 163.2 | 0 | 0 | 0 | 111.4 | L75 Y84 A285 R286 W287 G291 | L75-I289 HydrophobicContact CD1-CG2 3.83Å; Y84-I289 HydrophobicContact CD1-CG2 4.38Å; Y84-I289 HydrophobicContact CD2-CG2 4.24Å; Y84-I289 HydrophobicContact CE1-CD1 3.98Å; Y84-I289 HydrophobicContact CE1-CG2 4.02Å; Y84-I289 HydrophobicContact CE2-CG2 3.86Å; Y84-I289 HydrophobicContact CG-CG2 4.46Å; A285-I289 WeakPolarHBondContact O-CD1 3.47Å; A285-I289 VanDerWaalsContact O-CG1 3.27Å; A285-I289 WeakPolarHBondContact O-CG1 3.31Å; A285-I289 PolarHBondContact O-N 3.02Å; A285-I289 VanDerWaalsContact O-N 3.08Å; R286-I289 PolarHBondContact O-N 2.98Å; W287-I289 VanDerWaalsContact C-N 3.31Å; W287-I289 PolarHBondContact O-N 3.26Å; I289-G291 VanDerWaalsContact C-N 3.32Å |
| 290 | M | 85.4 | Confident | 84.3 | Confident | 42 Ų | 42 | 81.7 Ų | 81.7 | 21% | 0.207 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -75.3 | -23 | -176.4 | -70.1 | 175.5 | 49.8 | 0 | 0 | 112.9 | K82 Y84 R286 W287 | K82-M290 HydrophobicContact CB-CE 4.11Å; K82-M290 WeakPolarHBondContact O-CE 3.44Å; Y84-M290 HydrophobicContact CG-CG 4.46Å; R286-M290 HydrophobicContact CG-CG 4.36Å; R286-M290 HydrophobicContact CG-SD 3.55Å; R286-M290 VanDerWaalsContact CG-SD 3.55Å; R286-M290 PolarHBondContact NE-SD 3.41Å; R286-M290 WeakPolarHBondContact O-CB 3.5Å; R286-M290 WeakPolarHBondContact O-CG 3.49Å; R286-M290 PolarHBondContact O-N 2.96Å; W287-M290 PolarHBondContact O-N 3.44Å |
| 291 | G | 82.6 | Confident | 83.8 | Confident | 36 Ų | 36 | 78.6 Ų | 78.6 | 37% | 0.371 | 44% | 0.435 | S | S | . | . | trans | 77.8 | -169.1 | -176 | 0 | 0 | 0 | 0 | 0 | 113.1 | W287 I289 | W287-G291 PolarHBondContact O-N 3.13Å; I289-G291 VanDerWaalsContact C-N 3.32Å | ||
| 292 | T | 65.9 | Low | 83.5 | Confident | 124 Ų | 124 | 75.6 Ų | 75.6 | 76% | 0.761 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -91.1 | 113.5 | -177.5 | 52.7 | 0 | 0 | 0 | 0 | 111 | W287 | W287-T292 HydrophobicContact CZ2-CG2 4.24Š|
| 293 | G | 64.1 | Low | 83.2 | Confident | 41 Ų | 41 | 75.2 Ų | 75.2 | 42% | 0.423 | 41% | 0.414 | S | S | . | . | trans | 143.3 | 117.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 294 | P | 66.3 | Low | 83 | Confident | 109 Ų | 109 | 71.1 Ų | 71.1 | 71% | 0.708 | 39% | 0.393 | S | S | * | . | trans | -64.4 | 161.8 | 168.5 | 30 | -33.9 | 0 | 0 | 0 | 110.2 | A296 | P294-A296 PolarHBondContact O-N 2.8Š| ||
| 295 | P | 68.8 | Low | 82.9 | Confident | 45 Ų | 45 | 64.7 Ų | 64.7 | 29% | 0.292 | 37% | 0.368 | S | S | . | . | trans | -54.3 | 136.2 | 170.4 | -17.8 | 28.7 | 0 | 0 | 0 | 110.2 | F297 | P295-F297 HydrophobicContact CB-CE1 4.3Å; P295-F297 HydrophobicContact CB-CE2 4.03Å; P295-F297 HydrophobicContact CB-CZ 3.85Å; P295-F297 HydrophobicContact CG-CE2 4.33Å; P295-F297 HydrophobicContact CG-CZ 4.13Å; P295-F297 PolarHBondContact O-N 3.32Å | ||
| 296 | A | 70.9 | Confident | 82.8 | Confident | 104 Ų | 104 | 66.1 Ų | 66.1 | 86% | 0.86 | 37% | 0.365 | S | S | * | . | trans | -76.7 | 104.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | P294 | P294-A296 PolarHBondContact O-N 2.8Š| ||
| 297 | F | 80.9 | Confident | 82.8 | Confident | 52 Ų | 52 | 66.3 Ų | 66.3 | 23% | 0.228 | 37% | 0.368 | C | S | . | . | trans | -86.6 | 160 | 169.6 | -62 | -66.3 | 0 | 0 | 0 | 110.2 | P295 F306 R403 | P295-F297 HydrophobicContact CB-CE1 4.3Å; P295-F297 HydrophobicContact CB-CE2 4.03Å; P295-F297 HydrophobicContact CB-CZ 3.85Å; P295-F297 HydrophobicContact CG-CE2 4.33Å; P295-F297 HydrophobicContact CG-CZ 4.13Å; P295-F297 PolarHBondContact O-N 3.32Å; F297-F306 HydrophobicContact CB-CE2 4.49Å; F297-F306 WeakPolarHBondContact O-CZ 3.48Å; F297-R403 WeakPolarHBondContact CE2-O 3.33Å | ||
| 298 | T | 83.9 | Confident | 82.9 | Confident | 72 Ų | 72 | 67.9 Ų | 67.9 | 44% | 0.442 | 38% | 0.381 | S | S | . | . | trans | -112.4 | 164 | 175.9 | 66.8 | 0 | 0 | 0 | 0 | 111 | V300 D301 N302 F306 | T298-V300 PolarHBondContact O-N 2.98Å; T298-D301 PolarHBondContact N-OD2 3.49Å; T298-D301 WeakPolarHBondContact O-CB 3.37Å; T298-D301 PolarHBondContact O-N 3.32Å; T298-D301 PolarHBondContact OG1-OD2 3.09Å; T298-N302 PolarHBondContact O-N 2.94Å; T298-F306 VanDerWaalsContact O-CE2 3.28Å; T298-F306 WeakPolarHBondContact O-CE2 3.43Å | ||
| 299 | E | 85.5 | Confident | 83 | Confident | 125 Ų | 125 | 62.7 Ų | 62.7 | 58% | 0.584 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -29.5 | 173.8 | -173.8 | -176.7 | 172.1 | 0 | 0 | 112.2 | D301 N302 P303 F306 | E299-D301 VanDerWaalsContact C-N 3.31Å; E299-D301 PolarHBondContact O-N 3.45Å; E299-N302 CarbonylContact O-C 3.46Å; E299-P303 HydrophobicContact CG-CB 4.3Å; E299-P303 WeakPolarHBondContact O-CA 3.29Å; E299-P303 WeakPolarHBondContact O-CD 3.42Å; E299-F306 HydrophobicContact CB-CB 4.21Å; E299-F306 HydrophobicContact CB-CD2 4.2Å; E299-F306 HydrophobicContact CB-CG 4.12Å; E299-F306 HydrophobicContact CG-CB 4.15Å |
| 300 | V | 85.4 | Confident | 83.1 | Confident | 39 Ų | 39 | 64.6 Ų | 64.6 | 24% | 0.236 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -30.8 | 179.6 | -178.4 | 0 | 0 | 0 | 0 | 112.1 | T298 M340 | T298-V300 PolarHBondContact O-N 2.98Å; V300-M340 HydrophobicContact CG1-CB 4.25Å; V300-M340 HydrophobicContact CG1-CE 3.56Å; V300-M340 HydrophobicContact CG1-CG 3.45Å; V300-M340 VanDerWaalsContact CG1-CG 3.45Å; V300-M340 HydrophobicContact CG1-SD 3.24Å; V300-M340 WeakPolarHBondContact CG1-SD 3.48Å; V300-M340 PolarHBondContact O-N 3.13Å |
| 301 | D | 85.9 | Confident | 83.5 | Confident | 52 Ų | 52 | 69.5 Ų | 69.5 | 28% | 0.278 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -50.8 | 176.9 | -56.5 | -57.3 | 0 | 0 | 0 | 110.6 | T298 E299 G405 V407 | T298-D301 PolarHBondContact N-OD2 3.49Å; T298-D301 WeakPolarHBondContact O-CB 3.37Å; T298-D301 PolarHBondContact O-N 3.32Å; T298-D301 PolarHBondContact OG1-OD2 3.09Å; E299-D301 VanDerWaalsContact C-N 3.31Å; E299-D301 PolarHBondContact O-N 3.45Å; D301-G405 CarbonylContact C-O 3.55Å; D301-G405 VanDerWaalsContact C-O 3.31Å; D301-V407 WeakPolarHBondContact O-CG2 3.34Å |
| 302 | N | 89.7 | Confident | 84 | Confident | 1 Ų | 1 | 69.2 Ų | 69.2 | 1% | 0.005 | 39% | 0.388 | C | S | . | . | trans | -142.5 | 90.3 | -178.4 | -177.9 | -13.8 | 0 | 0 | 0 | 111.2 | T298 E299 A304 S305 F306 N399 V404 V407 | T298-N302 PolarHBondContact O-N 2.94Å; E299-N302 CarbonylContact O-C 3.46Å; N302-A304 VanDerWaalsContact C-N 3.27Å; N302-A304 PolarHBondContact O-N 3Å; N302-A304 PolarHBondContact OD1-N 3.47Å; N302-S305 PolarHBondContact ND2-OG 3.47Å; N302-S305 PolarHBondContact O-N 3.4Å; N302-S305 PolarHBondContact OD1-N 2.72Å; N302-F306 VanDerWaalsContact O-CD2 3.32Å; N302-F306 WeakPolarHBondContact O-CD2 3.38Å; N302-N399 PolarHBondContact ND2-OD1 3.02Å; N302-V404 PolarHBondContact ND2-O 3.18Å; N302-V407 HydrophobicContact CB-CG2 3.57Å; N302-V407 VanDerWaalsContact CG-CG2 3.49Å | ||
| 303 | P | 89.4 | Confident | 85.3 | Confident | 26 Ų | 26 | 65.9 Ų | 65.9 | 17% | 0.169 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64 | -32.2 | -174.8 | 23.6 | -33.3 | 0 | 0 | 0 | 112.4 | E299 S305 F306 E307 L345 | E299-P303 HydrophobicContact CG-CB 4.3Å; E299-P303 WeakPolarHBondContact O-CA 3.29Å; E299-P303 WeakPolarHBondContact O-CD 3.42Å; P303-S305 VanDerWaalsContact C-N 3.29Å; P303-S305 PolarHBondContact O-N 3.33Å; P303-F306 PolarHBondContact O-N 3.49Å; P303-F306 VanDerWaalsContact O-N 3.14Å; P303-E307 PolarHBondContact O-N 3.42Å; P303-L345 HydrophobicContact CB-CD1 4.12Å; P303-L345 HydrophobicContact CB-CD2 4.22Å; P303-L345 HydrophobicContact CB-CG 4.23Å; P303-L345 HydrophobicContact CG-CD2 4.19Å; P303-L345 HydrophobicContact CG-CG 4.42Å |
| 304 | A | 90.6 | Very high | 86.7 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -65.1 | -34.1 | -179 | 0 | 0 | 0 | 0 | 0 | 112.3 | N302 F306 E307 R313 N316 Y317 Y320 L345 | N302-A304 VanDerWaalsContact C-N 3.27Å; N302-A304 PolarHBondContact O-N 3Å; N302-A304 PolarHBondContact OD1-N 3.47Å; A304-F306 PolarHBondContact O-N 3.34Å; A304-E307 PolarHBondContact O-N 2.78Å; A304-R313 WeakPolarHBondContact O-CG 3.26Å; A304-N316 HydrophobicContact CB-CB 3.56Å; A304-Y317 HydrophobicContact CB-CD1 4.01Å; A304-Y317 HydrophobicContact CB-CE1 3.9Å; A304-Y320 HydrophobicContact CB-CE2 3.55Å; A304-Y320 VanDerWaalsContact CB-OH 3.3Å; A304-Y320 WeakPolarHBondContact CB-OH 3.5Å; A304-L345 HydrophobicContact CB-CD2 3.73Å |
| 305 | S | 90.6 | Very high | 88.1 | Confident | 1 Ų | 1 | 64.2 Ų | 64.2 | 1% | 0.007 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -67.2 | -20 | 178 | -73.2 | 0 | 0 | 0 | 0 | 114.1 | N302 P303 Y317 R403 | N302-S305 PolarHBondContact ND2-OG 3.47Å; N302-S305 PolarHBondContact O-N 3.4Å; N302-S305 PolarHBondContact OD1-N 2.72Å; P303-S305 VanDerWaalsContact C-N 3.29Å; P303-S305 PolarHBondContact O-N 3.33Å; S305-Y317 WeakPolarHBondContact CA-OH 3.24Å; S305-Y317 PolarHBondContact OG-OH 3.44Å; S305-R403 PolarHBondContact O-NE 3.48Å |
| 306 | F | 90.5 | Very high | 89.3 | Confident | 74 Ų | 74 | 62.1 Ų | 62.1 | 33% | 0.325 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -100.3 | -10.1 | 179.6 | -69.5 | -91.4 | 0 | 0 | 0 | 113.5 | F297 T298 E299 N302 P303 A304 E308 | F297-F306 HydrophobicContact CB-CE2 4.49Å; F297-F306 WeakPolarHBondContact O-CZ 3.48Å; T298-F306 VanDerWaalsContact O-CE2 3.28Å; T298-F306 WeakPolarHBondContact O-CE2 3.43Å; E299-F306 HydrophobicContact CB-CB 4.21Å; E299-F306 HydrophobicContact CB-CD2 4.2Å; E299-F306 HydrophobicContact CB-CG 4.12Å; E299-F306 HydrophobicContact CG-CB 4.15Å; N302-F306 VanDerWaalsContact O-CD2 3.32Å; N302-F306 WeakPolarHBondContact O-CD2 3.38Å; P303-F306 PolarHBondContact O-N 3.49Å; P303-F306 VanDerWaalsContact O-N 3.14Å; A304-F306 PolarHBondContact O-N 3.34Å; F306-E308 PolarHBondContact O-N 3.42Å |
| 307 | E | 91.1 | Very high | 90.4 | Very high | 37 Ų | 37 | 58.2 Ų | 58.2 | 17% | 0.173 | 29% | 0.286 | C | S | . | . | trans | -60.7 | 129.5 | 173.3 | -84.5 | -68.7 | 177.5 | 0 | 0 | 112 | P303 A304 N309 I312 R313 L345 K347 | P303-E307 PolarHBondContact O-N 3.42Å; A304-E307 PolarHBondContact O-N 2.78Å; E307-N309 PolarHBondContact O-N 2.96Å; E307-I312 HydrophobicContact CB-CG2 4.48Å; E307-I312 HydrophobicContact CG-CG2 4.19Å; E307-R313 PolarHBondContact O-NE 3.35Å; E307-R313 PolarHBondContact O-NH2 3.23Å; E307-L345 HydrophobicContact CG-CD1 3.42Å; E307-L345 VanDerWaalsContact CG-CD1 3.42Å; E307-L345 WeakPolarHBondContact OE1-CD1 3.34Å; E307-K347 WeakPolarHBondContact OE1-CE 3.5Å; E307-K347 IonicContact OE1-NZ 2.75Å | ||
| 308 | E | 91.9 | Very high | 91.1 | Very high | 181 Ų | 181 | 56.8 Ų | 56.8 | 85% | 0.846 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -68.1 | -36.6 | -176.1 | -63.6 | -174.9 | 169.6 | 0 | 0 | 112.1 | F306 I310 | F306-E308 PolarHBondContact O-N 3.42Å; E308-I310 PolarHBondContact O-N 3.32Å |
| 309 | N | 94.1 | Very high | 91.6 | Very high | 82 Ų | 82 | 54.3 Ų | 54.3 | 44% | 0.439 | 26% | 0.264 | S | S | . | . | trans | -77.1 | 115.4 | -178.6 | -172.8 | -33.5 | 0 | 0 | 0 | 111.3 | E307 F311 I312 R313 | E307-N309 PolarHBondContact O-N 2.96Å; N309-F311 VanDerWaalsContact C-N 3.28Å; N309-F311 PolarHBondContact O-N 2.94Å; N309-F311 WeakPolarHBondContact OD1-CB 3.38Å; N309-F311 PolarHBondContact OD1-N 3.15Å; N309-I312 HydrophobicContact CB-CB 4.13Å; N309-I312 HydrophobicContact CB-CD1 4.03Å; N309-I312 HydrophobicContact CB-CG1 4.1Å; N309-I312 PolarHBondContact O-N 2.86Å; N309-I312 PolarHBondContact OD1-N 3.24Å; N309-R313 WeakPolarHBondContact O-CB 3.27Å; N309-R313 PolarHBondContact O-N 2.79Å | ||
| 310 | I | 92.2 | Very high | 92 | Very high | 113 Ų | 113 | 48.5 Ų | 48.5 | 58% | 0.579 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -59.1 | -37.8 | -179.3 | -61.4 | 170.3 | 0 | 0 | 0 | 111.9 | E308 R313 I314 | E308-I310 PolarHBondContact O-N 3.32Å; I310-R313 WeakPolarHBondContact O-CB 3.36Å; I310-R313 PolarHBondContact O-N 3.18Å; I310-I314 HydrophobicContact CG2-CD1 3.84Å; I310-I314 HydrophobicContact CG2-CG1 4.4Å; I310-I314 VanDerWaalsContact O-CG1 3.3Å; I310-I314 WeakPolarHBondContact O-CG1 3.27Å; I310-I314 PolarHBondContact O-N 3.25Å |
| 311 | F | 93 | Very high | 92.4 | Very high | 146 Ų | 146 | 48.4 Ų | 48.4 | 64% | 0.64 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -66.1 | -47.4 | 179.5 | -178.4 | -94.7 | 0 | 0 | 0 | 111.2 | N309 R313 I314 V315 | N309-F311 VanDerWaalsContact C-N 3.28Å; N309-F311 PolarHBondContact O-N 2.94Å; N309-F311 WeakPolarHBondContact OD1-CB 3.38Å; N309-F311 PolarHBondContact OD1-N 3.15Å; F311-R313 VanDerWaalsContact C-N 3.28Å; F311-R313 PolarHBondContact O-N 2.96Å; F311-I314 PolarHBondContact O-N 3.27Å; F311-V315 HydrophobicContact CD1-CG2 4.09Å; F311-V315 HydrophobicContact CE1-CG2 3.7Å; F311-V315 HydrophobicContact CE2-CG2 4.49Å; F311-V315 HydrophobicContact CZ-CG2 3.93Å; F311-V315 WeakPolarHBondContact O-CG2 3.42Å; F311-V315 PolarHBondContact O-N 3.42Å |
| 312 | I | 93.7 | Very high | 92.9 | Very high | 30 Ų | 30 | 46.6 Ų | 46.6 | 15% | 0.154 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60 | -42.2 | 175.8 | -67.2 | -179.6 | 0 | 0 | 0 | 110.1 | E307 N309 V315 N316 | E307-I312 HydrophobicContact CB-CG2 4.48Å; E307-I312 HydrophobicContact CG-CG2 4.19Å; N309-I312 HydrophobicContact CB-CB 4.13Å; N309-I312 HydrophobicContact CB-CD1 4.03Å; N309-I312 HydrophobicContact CB-CG1 4.1Å; N309-I312 PolarHBondContact O-N 2.86Å; N309-I312 PolarHBondContact OD1-N 3.24Å; I312-V315 PolarHBondContact O-N 3.31Å; I312-N316 WeakPolarHBondContact CG2-ND2 3.32Å; I312-N316 WeakPolarHBondContact O-CB 3.24Å; I312-N316 PolarHBondContact O-N 2.87Å; I312-N316 PolarHBondContact O-ND2 2.93Å |
| 313 | R | 93.5 | Very high | 93.1 | Very high | 54 Ų | 54 | 47.2 Ų | 47.2 | 20% | 0.204 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.1 | -49.6 | 175.4 | -176.7 | -179.4 | -53.8 | 164.9 | 3.9 | 112 | A304 E307 N309 I310 F311 N316 Y317 | A304-R313 WeakPolarHBondContact O-CG 3.26Å; E307-R313 PolarHBondContact O-NE 3.35Å; E307-R313 PolarHBondContact O-NH2 3.23Å; N309-R313 WeakPolarHBondContact O-CB 3.27Å; N309-R313 PolarHBondContact O-N 2.79Å; I310-R313 WeakPolarHBondContact O-CB 3.36Å; I310-R313 PolarHBondContact O-N 3.18Å; F311-R313 VanDerWaalsContact C-N 3.28Å; F311-R313 PolarHBondContact O-N 2.96Å; R313-N316 PolarHBondContact O-N 3.46Å; R313-Y317 HydrophobicContact CG-CD1 4.47Å; R313-Y317 HydrophobicContact CG-CD2 4.35Å; R313-Y317 HydrophobicContact CG-CE1 3.92Å; R313-Y317 HydrophobicContact CG-CE2 3.81Å; R313-Y317 WeakPolarHBondContact O-CD1 3.37Å; R313-Y317 PolarHBondContact O-N 3.46Å |
| 314 | I | 93.2 | Very high | 93.3 | Very high | 89 Ų | 89 | 46.4 Ų | 46.4 | 46% | 0.456 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -62.1 | -45.2 | 178.8 | -69.4 | 167.5 | 0 | 0 | 0 | 111.2 | I310 F311 N316 Y317 N318 | I310-I314 HydrophobicContact CG2-CD1 3.84Å; I310-I314 HydrophobicContact CG2-CG1 4.4Å; I310-I314 VanDerWaalsContact O-CG1 3.3Å; I310-I314 WeakPolarHBondContact O-CG1 3.27Å; I310-I314 PolarHBondContact O-N 3.25Å; F311-I314 PolarHBondContact O-N 3.27Å; I314-N316 VanDerWaalsContact C-N 3.33Å; I314-N316 PolarHBondContact O-N 2.94Å; I314-Y317 PolarHBondContact O-N 3.03Å; I314-N318 PolarHBondContact O-N 3.12Å; I314-N318 PolarHBondContact O-ND2 3.42Å |
| 315 | V | 95 | Very high | 93.5 | Very high | 26 Ų | 26 | 47.7 Ų | 47.7 | 16% | 0.158 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -57.9 | -47.5 | 177.4 | 169 | 0 | 0 | 0 | 0 | 110.3 | F311 I312 N318 Y319 I346 L357 | F311-V315 HydrophobicContact CD1-CG2 4.09Å; F311-V315 HydrophobicContact CE1-CG2 3.7Å; F311-V315 HydrophobicContact CE2-CG2 4.49Å; F311-V315 HydrophobicContact CZ-CG2 3.93Å; F311-V315 WeakPolarHBondContact O-CG2 3.42Å; F311-V315 PolarHBondContact O-N 3.42Å; I312-V315 PolarHBondContact O-N 3.31Å; V315-N318 PolarHBondContact O-N 2.72Å; V315-Y319 PolarHBondContact O-N 3.03Å; V315-I346 HydrophobicContact CG1-CB 4.2Å; V315-I346 HydrophobicContact CG1-CD1 4.48Å; V315-I346 HydrophobicContact CG1-CG2 3.95Å; V315-L357 HydrophobicContact CG1-CD2 3.81Å; V315-L357 WeakPolarHBondContact O-CD2 3.48Å |
| 316 | N | 94.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -68.9 | -35.8 | -179.1 | -77.3 | -80.4 | 0 | 0 | 0 | 113.1 | A304 I312 R313 I314 N318 Y319 Y320 L345 I346 | A304-N316 HydrophobicContact CB-CB 3.56Å; I312-N316 WeakPolarHBondContact CG2-ND2 3.32Å; I312-N316 WeakPolarHBondContact O-CB 3.24Å; I312-N316 PolarHBondContact O-N 2.87Å; I312-N316 PolarHBondContact O-ND2 2.93Å; R313-N316 PolarHBondContact O-N 3.46Å; I314-N316 VanDerWaalsContact C-N 3.33Å; I314-N316 PolarHBondContact O-N 2.94Å; N316-N318 VanDerWaalsContact C-N 3.33Å; N316-N318 PolarHBondContact O-N 3.3Å; N316-Y319 WeakPolarHBondContact O-CB 3.44Å; N316-Y319 PolarHBondContact O-N 3.34Å; N316-Y320 WeakPolarHBondContact O-CD1 3.41Å; N316-Y320 WeakPolarHBondContact O-CD2 3.39Å; N316-Y320 PolarHBondContact O-N 3Å; N316-L345 HydrophobicContact CB-CD2 4.14Å; N316-L345 WeakPolarHBondContact OD1-CA 3.42Å; N316-I346 PolarHBondContact ND2-O 3.41Å; N316-I346 PolarHBondContact OD1-N 3.47Å |
| 317 | Y | 93.9 | Very high | 93.9 | Very high | 22 Ų | 22 | 49.2 Ų | 49.2 | 9% | 0.086 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.6 | -42.7 | 171.4 | -69.6 | -5.5 | 0 | 0 | 0 | 111.9 | A304 S305 R313 I314 Y319 Y320 Y321 N399 | A304-Y317 HydrophobicContact CB-CD1 4.01Å; A304-Y317 HydrophobicContact CB-CE1 3.9Å; S305-Y317 WeakPolarHBondContact CA-OH 3.24Å; S305-Y317 PolarHBondContact OG-OH 3.44Å; R313-Y317 HydrophobicContact CG-CD1 4.47Å; R313-Y317 HydrophobicContact CG-CD2 4.35Å; R313-Y317 HydrophobicContact CG-CE1 3.92Å; R313-Y317 HydrophobicContact CG-CE2 3.81Å; R313-Y317 WeakPolarHBondContact O-CD1 3.37Å; R313-Y317 PolarHBondContact O-N 3.46Å; I314-Y317 PolarHBondContact O-N 3.03Å; Y317-Y319 VanDerWaalsContact C-N 3.3Å; Y317-Y319 PolarHBondContact O-N 3.47Å; Y317-Y320 HydrophobicContact CD1-CD2 4.11Å; Y317-Y320 HydrophobicContact CD1-CE2 4.16Å; Y317-Y320 WeakPolarHBondContact O-CB 3.28Å; Y317-Y320 PolarHBondContact O-N 3.41Å; Y317-Y320 VanDerWaalsContact O-N 3.15Å; Y317-Y321 WeakPolarHBondContact O-CD1 3.48Å; Y317-Y321 WeakPolarHBondContact O-CE1 3.41Å; Y317-Y321 VanDerWaalsContact O-CG 3.29Å; Y317-Y321 PolarHBondContact O-N 3.47Å; Y317-N399 HydrophobicContact CD1-CB 4.27Å; Y317-N399 HydrophobicContact CD2-CB 3.93Å; Y317-N399 HydrophobicContact CE1-CB 3.99Å; Y317-N399 HydrophobicContact CE2-CB 3.62Å; Y317-N399 HydrophobicContact CG-CB 4.24Å |
| 318 | N | 94.6 | Very high | 94.1 | Very high | 23 Ų | 23 | 47.9 Ų | 47.9 | 12% | 0.123 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.4 | -33.3 | 175.3 | -77.7 | -80.5 | 0 | 0 | 0 | 112.8 | I314 V315 N316 Y320 Y321 S322 L357 W361 | I314-N318 PolarHBondContact O-N 3.12Å; I314-N318 PolarHBondContact O-ND2 3.42Å; V315-N318 PolarHBondContact O-N 2.72Å; N316-N318 VanDerWaalsContact C-N 3.33Å; N316-N318 PolarHBondContact O-N 3.3Å; N318-Y320 VanDerWaalsContact C-N 3.34Å; N318-Y321 HydrophobicContact CB-CD2 4.43Å; N318-Y321 PolarHBondContact O-N 3.06Å; N318-S322 PolarHBondContact O-N 3.42Å; N318-S322 PolarHBondContact O-OG 2.93Å; N318-L357 HydrophobicContact CB-CD2 3.98Å; N318-L357 HydrophobicContact CB-CG 4.06Å; N318-W361 VanDerWaalsContact OD1-CE2 3.3Å; N318-W361 VanDerWaalsContact OD1-CZ2 3.28Å; N318-W361 WeakPolarHBondContact OD1-CZ2 3.25Å; N318-W361 PolarHBondContact OD1-NE1 3.05Å |
| 319 | Y | 95.1 | Very high | 94.2 | Very high | 19 Ų | 19 | 44.2 Ų | 44.2 | 8% | 0.075 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.9 | -41.6 | 171.2 | -174.2 | -129.1 | 0 | 0 | 0 | 111.4 | V315 N316 Y317 Y321 S322 L323 V343 I346 R353 L357 | V315-Y319 PolarHBondContact O-N 3.03Å; N316-Y319 WeakPolarHBondContact O-CB 3.44Å; N316-Y319 PolarHBondContact O-N 3.34Å; Y317-Y319 VanDerWaalsContact C-N 3.3Å; Y317-Y319 PolarHBondContact O-N 3.47Å; Y319-Y321 VanDerWaalsContact C-N 3.3Å; Y319-Y321 PolarHBondContact O-N 3.47Å; Y319-S322 WeakPolarHBondContact O-CA 3.41Å; Y319-S322 VanDerWaalsContact O-CB 3.31Å; Y319-S322 WeakPolarHBondContact O-CB 3.21Å; Y319-S322 PolarHBondContact O-N 3.06Å; Y319-L323 HydrophobicContact CD1-CD1 4.22Å; Y319-L323 HydrophobicContact CE1-CD1 3.89Å; Y319-L323 HydrophobicContact CE1-CG 4.35Å; Y319-L323 HydrophobicContact CE2-CD2 4.35Å; Y319-L323 HydrophobicContact CE2-CG 4.32Å; Y319-L323 PolarHBondContact O-N 3Å; Y319-V343 HydrophobicContact CD1-CG1 3.97Å; Y319-V343 HydrophobicContact CE1-CG1 3.66Å; Y319-I346 HydrophobicContact CD1-CD1 3.9Å; Y319-I346 HydrophobicContact CD1-CG1 4.38Å; Y319-I346 HydrophobicContact CD2-CD1 3.99Å; Y319-I346 HydrophobicContact CE1-CD1 4.46Å; Y319-I346 HydrophobicContact CG-CD1 3.63Å; Y319-R353 HydrophobicContact CD2-CB 4.42Å; Y319-R353 HydrophobicContact CE2-CB 3.87Å; Y319-R353 HydrophobicContact CE2-CG 4.39Å; Y319-R353 WeakPolarHBondContact OH-CD 3.45Å; Y319-L357 HydrophobicContact CD2-CD1 3.57Å; Y319-L357 HydrophobicContact CG-CD1 4.1Å |
| 320 | Y | 93.7 | Very high | 94.1 | Very high | 3 Ų | 3 | 42.5 Ų | 42.5 | 1% | 0.012 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.1 | -39 | 174 | -56.3 | -25 | 0 | 0 | 0 | 112 | A304 N316 Y317 N318 S322 L323 N324 V343 V407 | A304-Y320 HydrophobicContact CB-CE2 3.55Å; A304-Y320 VanDerWaalsContact CB-OH 3.3Å; A304-Y320 WeakPolarHBondContact CB-OH 3.5Å; N316-Y320 WeakPolarHBondContact O-CD1 3.41Å; N316-Y320 WeakPolarHBondContact O-CD2 3.39Å; N316-Y320 PolarHBondContact O-N 3Å; Y317-Y320 HydrophobicContact CD1-CD2 4.11Å; Y317-Y320 HydrophobicContact CD1-CE2 4.16Å; Y317-Y320 WeakPolarHBondContact O-CB 3.28Å; Y317-Y320 PolarHBondContact O-N 3.41Å; Y317-Y320 VanDerWaalsContact O-N 3.15Å; N318-Y320 VanDerWaalsContact C-N 3.34Å; Y320-S322 VanDerWaalsContact C-N 3.28Å; Y320-S322 PolarHBondContact O-N 3.44Å; Y320-L323 PolarHBondContact O-N 3.02Å; Y320-N324 PolarHBondContact O-N 3.12Å; Y320-N324 PolarHBondContact O-ND2 3.22Å; Y320-V343 HydrophobicContact CD1-CG1 4.12Å; Y320-V343 HydrophobicContact CE1-CB 4.18Å; Y320-V343 HydrophobicContact CE1-CG1 3.68Å; Y320-V407 HydrophobicContact CD1-CG1 3.32Å; Y320-V407 HydrophobicContact CD2-CG1 3.48Å; Y320-V407 VanDerWaalsContact CD2-CG1 3.48Å; Y320-V407 HydrophobicContact CE1-CG1 3.26Å; Y320-V407 HydrophobicContact CE2-CB 4.31Å; Y320-V407 HydrophobicContact CE2-CG1 3.39Å; Y320-V407 HydrophobicContact CE2-CG2 4.05Å; Y320-V407 HydrophobicContact CG-CG1 3.42Å; Y320-V407 VanDerWaalsContact CG-CG1 3.42Å |
| 321 | Y | 94.5 | Very high | 94.1 | Very high | 38 Ų | 38 | 37.5 Ų | 37.5 | 15% | 0.149 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.3 | -39 | 173.3 | -51.4 | -20.8 | 0 | 0 | 0 | 111.6 | Y317 N318 Y319 N324 A325 F394 C398 | Y317-Y321 WeakPolarHBondContact O-CD1 3.48Å; Y317-Y321 WeakPolarHBondContact O-CE1 3.41Å; Y317-Y321 VanDerWaalsContact O-CG 3.29Å; Y317-Y321 PolarHBondContact O-N 3.47Å; N318-Y321 HydrophobicContact CB-CD2 4.43Å; N318-Y321 PolarHBondContact O-N 3.06Å; Y319-Y321 VanDerWaalsContact C-N 3.3Å; Y319-Y321 PolarHBondContact O-N 3.47Å; Y321-N324 PolarHBondContact O-N 3.21Å; Y321-A325 WeakPolarHBondContact O-CB 3.25Å; Y321-A325 PolarHBondContact O-N 3.12Å; Y321-F394 AromaticContact CD1-CE1 3.76Å; Y321-F394 HydrophobicContact CD1-CE1 3.76Å; Y321-F394 HydrophobicContact CD1-CZ 4.18Å; Y321-F394 HydrophobicContact CE1-CE1 4.25Å; Y321-F394 HydrophobicContact CG-CE1 4.42Å; Y321-C398 HydrophobicContact CE1-CB 3.69Å; Y321-C398 WeakPolarHBondContact CE1-O 3.26Å; Y321-C398 PolarHBondContact OH-O 2.97Å |
| 322 | S | 95.1 | Very high | 93.9 | Very high | 13 Ų | 13 | 38 Ų | 38 | 9% | 0.091 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65 | -40.2 | 178.1 | -52.1 | 0 | 0 | 0 | 0 | 111.3 | N318 Y319 Y320 A325 W326 W356 L360 | N318-S322 PolarHBondContact O-N 3.42Å; N318-S322 PolarHBondContact O-OG 2.93Å; Y319-S322 WeakPolarHBondContact O-CA 3.41Å; Y319-S322 VanDerWaalsContact O-CB 3.31Å; Y319-S322 WeakPolarHBondContact O-CB 3.21Å; Y319-S322 PolarHBondContact O-N 3.06Å; Y320-S322 VanDerWaalsContact C-N 3.28Å; Y320-S322 PolarHBondContact O-N 3.44Å; S322-A325 PolarHBondContact O-N 3.2Å; S322-W326 WeakPolarHBondContact O-CB 3.26Å; S322-W326 PolarHBondContact O-N 3.25Å; S322-W356 PolarHBondContact OG-O 3.02Å; S322-L360 WeakPolarHBondContact OG-CD2 3.41Å |
| 323 | L | 94 | Very high | 93.7 | Very high | 15 Ų | 15 | 40.6 Ų | 40.6 | 8% | 0.079 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.2 | -44.4 | 174 | -69 | 175 | 0 | 0 | 0 | 112 | Y319 Y320 A325 W326 L327 W333 V343 V408 | Y319-L323 HydrophobicContact CD1-CD1 4.22Å; Y319-L323 HydrophobicContact CE1-CD1 3.89Å; Y319-L323 HydrophobicContact CE1-CG 4.35Å; Y319-L323 HydrophobicContact CE2-CD2 4.35Å; Y319-L323 HydrophobicContact CE2-CG 4.32Å; Y319-L323 PolarHBondContact O-N 3Å; Y320-L323 PolarHBondContact O-N 3.02Å; L323-A325 VanDerWaalsContact C-N 3.33Å; L323-A325 PolarHBondContact O-N 3.35Å; L323-W326 WeakPolarHBondContact O-CB 3.35Å; L323-W326 PolarHBondContact O-N 3.02Å; L323-W326 VanDerWaalsContact O-N 3.13Å; L323-L327 WeakPolarHBondContact O-CG 3.38Å; L323-L327 PolarHBondContact O-N 2.95Å; L323-W333 HydrophobicContact CD2-CZ3 4.02Å; L323-V343 HydrophobicContact CD1-CB 4.49Å; L323-V343 HydrophobicContact CD1-CG1 3.63Å; L323-V343 HydrophobicContact CD1-CG2 3.98Å; L323-V408 HydrophobicContact CB-CG2 4.03Å; L323-V408 HydrophobicContact CD1-CG2 4.19Å |
| 324 | N | 94.5 | Very high | 93.6 | Very high | 8 Ų | 8 | 38.6 Ų | 38.6 | 4% | 0.043 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.2 | -40.4 | 175.5 | -81 | -78.5 | 0 | 0 | 0 | 111.8 | Y320 Y321 W326 L327 L328 F394 V407 L413 | Y320-N324 PolarHBondContact O-N 3.12Å; Y320-N324 PolarHBondContact O-ND2 3.22Å; Y321-N324 PolarHBondContact O-N 3.21Å; N324-W326 VanDerWaalsContact C-N 3.32Å; N324-L327 PolarHBondContact O-N 3.19Å; N324-L328 PolarHBondContact O-N 3.01Å; N324-F394 HydrophobicContact CB-CE2 4.24Å; N324-F394 HydrophobicContact CB-CZ 4.11Å; N324-V407 PolarHBondContact ND2-O 3.48Å; N324-L413 HydrophobicContact CB-CD1 4.29Å; N324-L413 HydrophobicContact CB-CD2 4.06Å |
| 325 | A | 94.8 | Very high | 93.5 | Very high | 27 Ų | 27 | 34.3 Ų | 34.3 | 22% | 0.223 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.1 | -38.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y321 S322 L323 L327 L328 L329 L360 | Y321-A325 WeakPolarHBondContact O-CB 3.25Å; Y321-A325 PolarHBondContact O-N 3.12Å; S322-A325 PolarHBondContact O-N 3.2Å; L323-A325 VanDerWaalsContact C-N 3.33Å; L323-A325 PolarHBondContact O-N 3.35Å; A325-L327 VanDerWaalsContact C-N 3.35Å; A325-L328 PolarHBondContact O-N 3Å; A325-L329 WeakPolarHBondContact O-CG 3.49Å; A325-L329 PolarHBondContact O-N 3.25Å; A325-L360 HydrophobicContact CB-CD1 3.78Å |
| 326 | W | 94.7 | Very high | 93.3 | Very high | 105 Ų | 105 | 33.5 Ų | 33.5 | 40% | 0.398 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -64 | -37.8 | 174.3 | -173 | -106 | 0 | 0 | 0 | 112.3 | S322 L323 N324 L328 L329 C330 W356 | S322-W326 WeakPolarHBondContact O-CB 3.26Å; S322-W326 PolarHBondContact O-N 3.25Å; L323-W326 WeakPolarHBondContact O-CB 3.35Å; L323-W326 PolarHBondContact O-N 3.02Å; L323-W326 VanDerWaalsContact O-N 3.13Å; N324-W326 VanDerWaalsContact C-N 3.32Å; W326-L328 VanDerWaalsContact C-N 3.26Å; W326-L328 PolarHBondContact O-N 3.33Å; W326-L329 PolarHBondContact O-N 3.3Å; W326-C330 HydrophobicContact CD2-CB 4.17Å; W326-C330 HydrophobicContact CH2-CB 4.19Å; W326-C330 HydrophobicContact CZ2-CB 3.69Å; W326-C330 CarbonylContact O-C 3.43Å; W326-C330 WeakPolarHBondContact O-CA 3.48Å; W326-C330 PolarHBondContact O-N 3.5Å; W326-W356 HydrophobicContact CZ3-CZ3 4.48Å |
| 327 | L | 94.4 | Very high | 93.1 | Very high | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.01 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64 | -29.9 | 174.1 | -67.8 | -174.2 | 0 | 0 | 0 | 113.2 | L323 N324 A325 P331 W333 L334 W338 V408 L413 | L323-L327 WeakPolarHBondContact O-CG 3.38Å; L323-L327 PolarHBondContact O-N 2.95Å; N324-L327 PolarHBondContact O-N 3.19Å; A325-L327 VanDerWaalsContact C-N 3.35Å; L327-P331 WeakPolarHBondContact O-CA 3.31Å; L327-P331 VanDerWaalsContact O-CB 3.31Å; L327-P331 WeakPolarHBondContact O-CB 3.31Å; L327-W333 VanDerWaalsContact CD2-O 3.25Å; L327-W333 WeakPolarHBondContact CD2-O 3.46Å; L327-L334 HydrophobicContact CD2-CD2 4.24Å; L327-W338 HydrophobicContact CD2-CZ2 4.4Å; L327-V408 HydrophobicContact CD1-CG1 3.34Å; L327-V408 HydrophobicContact CG-CG1 4.38Å; L327-L413 HydrophobicContact CB-CD1 3.94Å; L327-L413 HydrophobicContact CD1-CD1 4.24Å |
| 328 | L | 95 | Very high | 92.9 | Very high | 9 Ų | 9 | 34.1 Ų | 34.1 | 5% | 0.047 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -74 | -39.7 | 172.5 | -67.3 | 172.4 | 0 | 0 | 0 | 111.8 | H159 V161 N324 A325 W326 L390 L413 Y420 | H159-L328 PolarHBondContact NE2-O 3.26Å; V161-L328 HydrophobicContact CG1-CD2 4.35Å; N324-L328 PolarHBondContact O-N 3.01Å; A325-L328 PolarHBondContact O-N 3Å; W326-L328 VanDerWaalsContact C-N 3.26Å; W326-L328 PolarHBondContact O-N 3.33Å; L328-L390 HydrophobicContact CD1-CD1 3.74Å; L328-L413 HydrophobicContact CD2-CB 4.26Å; L328-L413 HydrophobicContact CD2-CD1 4.49Å; L328-L413 HydrophobicContact CG-CD1 4.34Å; L328-Y420 HydrophobicContact CB-CD1 4.35Å; L328-Y420 HydrophobicContact CB-CD2 4.09Å; L328-Y420 HydrophobicContact CB-CE2 4.42Å; L328-Y420 HydrophobicContact CB-CG 4.06Å; L328-Y420 WeakPolarHBondContact O-CE1 3.24Å; L328-Y420 VanDerWaalsContact O-CZ 3.23Å; L328-Y420 PolarHBondContact O-OH 3.28Å |
| 329 | L | 93.8 | Very high | 92.5 | Very high | 105 Ų | 105 | 33.5 Ų | 33.5 | 55% | 0.55 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -77.9 | -39.9 | -177.9 | -71.2 | 166.4 | 0 | 0 | 0 | 113.6 | A325 W326 Y420 | A325-L329 WeakPolarHBondContact O-CG 3.49Å; A325-L329 PolarHBondContact O-N 3.25Å; W326-L329 PolarHBondContact O-N 3.3Å; L329-Y420 HydrophobicContact CD2-CE2 3.74Å; L329-Y420 HydrophobicContact CG-CE2 4.33Å |
| 330 | C | 93.6 | Very high | 92.1 | Very high | 45 Ų | 45 | 34.1 Ų | 34.1 | 30% | 0.304 | 16% | 0.16 | S | C | . | . | trans | -140.9 | 81 | -174.9 | -171.8 | 0 | 0 | 0 | 0 | 109.6 | W326 W332 | W326-C330 HydrophobicContact CD2-CB 4.17Å; W326-C330 HydrophobicContact CH2-CB 4.19Å; W326-C330 HydrophobicContact CZ2-CB 3.69Å; W326-C330 CarbonylContact O-C 3.43Å; W326-C330 WeakPolarHBondContact O-CA 3.48Å; W326-C330 PolarHBondContact O-N 3.5Å; C330-W332 PolarHBondContact O-N 2.9Å | ||
| 331 | P | 92.6 | Very high | 91.3 | Very high | 8 Ų | 8 | 36 Ų | 36 | 5% | 0.052 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | 44.5 | -177.7 | 34.1 | -37.7 | 0 | 0 | 0 | 112.1 | P160 L327 L334 Y453 | P160-P331 HydrophobicContact CB-CB 3.95Å; P160-P331 HydrophobicContact CB-CG 4.04Å; P160-P331 HydrophobicContact CG-CB 4.18Å; P160-P331 HydrophobicContact CG-CG 3.7Å; L327-P331 WeakPolarHBondContact O-CA 3.31Å; L327-P331 VanDerWaalsContact O-CB 3.31Å; L327-P331 WeakPolarHBondContact O-CB 3.31Å; P331-L334 HydrophobicContact CB-CD1 4.4Å; P331-L334 HydrophobicContact CB-CD2 4.28Å; P331-L334 WeakPolarHBondContact O-CD1 3.37Å; P331-L334 WeakPolarHBondContact O-CG 3.42Å; P331-Y453 HydrophobicContact CG-CE1 4.36Å |
| 332 | W | 88.4 | Confident | 90.7 | Very high | 157 Ų | 157 | 35.1 Ų | 35.1 | 60% | 0.595 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -34.9 | 174.5 | -169.7 | -83.7 | 0 | 0 | 0 | 111.8 | C330 L334 R456 | C330-W332 PolarHBondContact O-N 2.9Å; W332-L334 PolarHBondContact O-N 3.23Å; W332-R456 VanDerWaalsContact CE2-NH1 3.33Å |
| 333 | W | 88.5 | Confident | 90.3 | Very high | 85 Ų | 85 | 34.9 Ų | 34.9 | 32% | 0.322 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -96.5 | 60.2 | -171 | -162.5 | 31 | 0 | 0 | 0 | 110.9 | L323 L327 W338 V477 | L323-W333 HydrophobicContact CD2-CZ3 4.02Å; L327-W333 VanDerWaalsContact CD2-O 3.25Å; L327-W333 WeakPolarHBondContact CD2-O 3.46Å; W333-W338 AromaticContact CD2-CH2 3.54Å; W333-W338 HydrophobicContact CD2-CH2 3.54Å; W333-W338 HydrophobicContact CD2-CZ3 4.15Å; W333-W338 AromaticContact CE2-CH2 3.72Å; W333-W338 AromaticContact CE2-CZ3 3.96Å; W333-W338 AromaticContact CE3-CH2 3.69Å; W333-W338 HydrophobicContact CE3-CH2 3.69Å; W333-W338 HydrophobicContact CE3-CZ3 4.12Å; W333-W338 HydrophobicContact CG-CH2 4.04Å; W333-W338 HydrophobicContact CH2-CH2 4.16Å; W333-W338 AromaticContact CH2-CZ3 3.77Å; W333-W338 HydrophobicContact CH2-CZ3 3.77Å; W333-W338 HydrophobicContact CZ2-CH2 4.03Å; W333-W338 AromaticContact CZ2-CZ3 3.78Å; W333-W338 HydrophobicContact CZ2-CZ3 3.78Å; W333-W338 AromaticContact CZ3-CH2 4Å; W333-W338 HydrophobicContact CZ3-CH2 4Å; W333-W338 AromaticContact CZ3-CZ3 3.94Å; W333-W338 HydrophobicContact CZ3-CZ3 3.94Å; W333-W338 WeakPolarHBondContact O-CZ2 3.39Å; W333-V477 PolarHBondContact NE1-O 3.46Å |
| 334 | L | 91.9 | Very high | 90.1 | Very high | 11 Ų | 11 | 37.7 Ų | 37.7 | 6% | 0.058 | 20% | 0.197 | C | C | . | . | trans | -94.3 | 128.4 | -176.9 | -64.2 | 178.4 | 0 | 0 | 0 | 110.7 | P160 L327 P331 W332 E410 R460 | P160-L334 HydrophobicContact CB-CD1 3.98Å; L327-L334 HydrophobicContact CD2-CD2 4.24Å; P331-L334 HydrophobicContact CB-CD1 4.4Å; P331-L334 HydrophobicContact CB-CD2 4.28Å; P331-L334 WeakPolarHBondContact O-CD1 3.37Å; P331-L334 WeakPolarHBondContact O-CG 3.42Å; W332-L334 PolarHBondContact O-N 3.23Å; L334-E410 WeakPolarHBondContact CB-OE1 3.47Å; L334-E410 HydrophobicContact CD2-CG 3.86Å; L334-R460 HydrophobicContact CD1-CG 3.98Å | ||
| 335 | C | 91.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | -134.7 | 144.7 | -179.9 | -169.1 | 0 | 0 | 0 | 0 | 110.2 | D337 W338 E410 V477 C478 | C335-D337 PolarHBondContact O-N 2.99Å; C335-D337 PolarHBondContact SG-O 3.49Å; C335-W338 HydrophobicContact CB-CD2 4.46Å; C335-W338 HydrophobicContact CB-CZ2 4.1Å; C335-W338 PolarHBondContact O-NE1 3.45Å; C335-E410 PolarHBondContact N-OE1 3.41Å; C335-V477 HydrophobicContact CB-CG2 3.97Å; C335-C478 VanDerWaalsContact SG-SG 3.62Å | ||
| 336 | F | 90.3 | Very high | 89.9 | Confident | 9 Ų | 9 | 37.4 Ų | 37.4 | 4% | 0.039 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -71.3 | -20.5 | 178.2 | 75.8 | -90.3 | 0 | 0 | 0 | 112.3 | F44 R460 W464 L470 F471 A474 V484 | F44-F336 HydrophobicContact CD1-CD2 4.01Å; F44-F336 AromaticContact CD2-CD2 3.8Å; F44-F336 HydrophobicContact CD2-CD2 3.8Å; F44-F336 AromaticContact CD2-CE2 3.78Å; F44-F336 HydrophobicContact CD2-CE2 3.78Å; F44-F336 AromaticContact CE1-CD2 3.76Å; F44-F336 HydrophobicContact CE1-CD2 3.76Å; F44-F336 HydrophobicContact CE1-CE2 4.42Å; F44-F336 AromaticContact CE2-CD2 3.54Å; F44-F336 HydrophobicContact CE2-CD2 3.54Å; F44-F336 AromaticContact CE2-CE2 3.37Å; F44-F336 HydrophobicContact CE2-CE2 3.37Å; F44-F336 HydrophobicContact CG-CD2 4.03Å; F44-F336 HydrophobicContact CG-CE2 4.46Å; F44-F336 AromaticContact CZ-CD2 3.51Å; F44-F336 HydrophobicContact CZ-CD2 3.51Å; F44-F336 AromaticContact CZ-CE2 3.74Å; F44-F336 HydrophobicContact CZ-CE2 3.74Å; F336-R460 VanDerWaalsContact N-NH2 3.2Å; F336-W464 HydrophobicContact CB-CH2 4.16Å; F336-W464 HydrophobicContact CB-CZ2 4.05Å; F336-L470 HydrophobicContact CB-CD1 3.98Å; F336-L470 HydrophobicContact CB-CD2 4.27Å; F336-L470 HydrophobicContact CB-CG 4.17Å; F336-L470 HydrophobicContact CD1-CD1 4.46Å; F336-L470 HydrophobicContact CD1-CG 4.13Å; F336-L470 HydrophobicContact CG-CD1 4.48Å; F336-L470 HydrophobicContact CG-CD2 4.41Å; F336-L470 HydrophobicContact CG-CG 4.2Å; F336-F471 HydrophobicContact CD1-CD1 4.11Å; F336-F471 HydrophobicContact CD2-CD1 4.46Å; F336-F471 HydrophobicContact CD2-CE1 4.24Å; F336-F471 AromaticContact CE1-CD1 3.51Å; F336-F471 HydrophobicContact CE1-CD1 3.51Å; F336-F471 HydrophobicContact CE1-CE1 4.2Å; F336-F471 HydrophobicContact CE1-CG 4.47Å; F336-F471 AromaticContact CE2-CD1 3.93Å; F336-F471 HydrophobicContact CE2-CD1 3.93Å; F336-F471 AromaticContact CE2-CE1 3.78Å; F336-F471 HydrophobicContact CE2-CE1 3.78Å; F336-F471 AromaticContact CZ-CD1 3.42Å; F336-F471 HydrophobicContact CZ-CD1 3.42Å; F336-F471 VanDerWaalsContact CZ-CD1 3.42Å; F336-F471 AromaticContact CZ-CE1 3.77Å; F336-F471 HydrophobicContact CZ-CE1 3.77Å; F336-F471 HydrophobicContact CZ-CG 4.44Å; F336-A474 HydrophobicContact CD1-CB 3.72Å; F336-A474 HydrophobicContact CE1-CB 3.43Å; F336-A474 VanDerWaalsContact CE1-CB 3.43Å; F336-V484 HydrophobicContact CE1-CG2 3.94Å; F336-V484 HydrophobicContact CZ-CG2 4.03Å |
| 337 | D | 89.7 | Confident | 89.9 | Confident | 21 Ų | 21 | 39.4 Ų | 39.4 | 11% | 0.112 | 20% | 0.203 | C | C | . | . | trans | -152.9 | 132.9 | -179.1 | -162.4 | -27.4 | 0 | 0 | 0 | 111.9 | F44 C335 S339 N481 K483 | F44-D337 HydrophobicContact CZ-CB 4.39Å; C335-D337 PolarHBondContact O-N 2.99Å; C335-D337 PolarHBondContact SG-O 3.49Å; D337-S339 VanDerWaalsContact CG-OG 3.24Å; D337-S339 VanDerWaalsContact OD1-CB 3.23Å; D337-S339 WeakPolarHBondContact OD1-CB 3.41Å; D337-S339 PolarHBondContact OD1-N 3.42Å; D337-S339 PolarHBondContact OD1-OG 3.33Å; D337-S339 PolarHBondContact OD2-OG 3.49Å; D337-N481 PolarHBondContact O-ND2 2.91Å; D337-K483 VanDerWaalsContact OD2-CD 3.26Å; D337-K483 WeakPolarHBondContact OD2-CD 3.34Å; D337-K483 WeakPolarHBondContact OD2-CE 3.47Å; D337-K483 IonicContact OD2-NZ 2.89Å; D337-K483 PolarHBondContact OD2-NZ 3.04Å | ||
| 338 | W | 89.1 | Confident | 89.8 | Confident | 13 Ų | 13 | 42 Ų | 42 | 5% | 0.049 | 22% | 0.221 | C | C | . | . | trans | -113.4 | 11.8 | -179 | -67.5 | 84.6 | 0 | 0 | 0 | 113.6 | L327 W333 C335 C342 V343 V408 | L327-W338 HydrophobicContact CD2-CZ2 4.4Å; W333-W338 AromaticContact CD2-CH2 3.54Å; W333-W338 HydrophobicContact CD2-CH2 3.54Å; W333-W338 HydrophobicContact CD2-CZ3 4.15Å; W333-W338 AromaticContact CE2-CH2 3.72Å; W333-W338 AromaticContact CE2-CZ3 3.96Å; W333-W338 AromaticContact CE3-CH2 3.69Å; W333-W338 HydrophobicContact CE3-CH2 3.69Å; W333-W338 HydrophobicContact CE3-CZ3 4.12Å; W333-W338 HydrophobicContact CG-CH2 4.04Å; W333-W338 HydrophobicContact CH2-CH2 4.16Å; W333-W338 AromaticContact CH2-CZ3 3.77Å; W333-W338 HydrophobicContact CH2-CZ3 3.77Å; W333-W338 HydrophobicContact CZ2-CH2 4.03Å; W333-W338 AromaticContact CZ2-CZ3 3.78Å; W333-W338 HydrophobicContact CZ2-CZ3 3.78Å; W333-W338 AromaticContact CZ3-CH2 4Å; W333-W338 HydrophobicContact CZ3-CH2 4Å; W333-W338 AromaticContact CZ3-CZ3 3.94Å; W333-W338 HydrophobicContact CZ3-CZ3 3.94Å; W333-W338 WeakPolarHBondContact O-CZ2 3.39Å; C335-W338 HydrophobicContact CB-CD2 4.46Å; C335-W338 HydrophobicContact CB-CZ2 4.1Å; C335-W338 PolarHBondContact O-NE1 3.45Å; W338-C342 HydrophobicContact CE3-CB 4.23Å; W338-C342 WeakPolarHBondContact O-CB 3.18Å; W338-V343 HydrophobicContact CE3-CG2 3.98Å; W338-V343 HydrophobicContact CZ3-CG2 4.48Å; W338-V408 HydrophobicContact CB-CB 4.16Å; W338-V408 HydrophobicContact CD2-CB 3.91Å; W338-V408 HydrophobicContact CD2-CG1 4.03Å; W338-V408 HydrophobicContact CE3-CB 4.43Å; W338-V408 HydrophobicContact CG-CB 3.78Å; W338-V408 HydrophobicContact CG-CG1 4.21Å; W338-V408 HydrophobicContact CZ2-CG1 4.23Å | ||
| 339 | S | 88.1 | Confident | 89.5 | Confident | 10 Ų | 10 | 45.9 Ų | 45.9 | 7% | 0.07 | 26% | 0.255 | C | S | . | . | trans | -75.9 | -175.6 | 175 | 62.4 | 0 | 0 | 0 | 0 | 112.6 | D337 G341 C342 N481 | D337-S339 VanDerWaalsContact CG-OG 3.24Å; D337-S339 VanDerWaalsContact OD1-CB 3.23Å; D337-S339 WeakPolarHBondContact OD1-CB 3.41Å; D337-S339 PolarHBondContact OD1-N 3.42Å; D337-S339 PolarHBondContact OD1-OG 3.33Å; D337-S339 PolarHBondContact OD2-OG 3.49Å; S339-G341 PolarHBondContact O-N 3.47Å; S339-C342 PolarHBondContact O-N 3.18Å; S339-C342 PolarHBondContact O-SG 2.89Å; S339-N481 PolarHBondContact O-ND2 3.46Å | ||
| 340 | M | 86.6 | Confident | 89.4 | Confident | 32 Ų | 32 | 47 Ų | 47 | 16% | 0.158 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | 43.8 | 168.6 | -68 | -93.4 | -172.3 | 0 | 0 | 113.8 | V300 A482 K483 H512 Y515 | V300-M340 HydrophobicContact CG1-CB 4.25Å; V300-M340 HydrophobicContact CG1-CE 3.56Å; V300-M340 HydrophobicContact CG1-CG 3.45Å; V300-M340 VanDerWaalsContact CG1-CG 3.45Å; V300-M340 HydrophobicContact CG1-SD 3.24Å; V300-M340 WeakPolarHBondContact CG1-SD 3.48Å; V300-M340 PolarHBondContact O-N 3.13Å; M340-A482 HydrophobicContact CB-CB 4.33Å; M340-A482 HydrophobicContact SD-CB 4.31Å; M340-K483 HydrophobicContact CB-CB 4.37Å; M340-K483 HydrophobicContact CG-CB 3.91Å; M340-H512 HydrophobicContact SD-CB 4.39Å; M340-Y515 HydrophobicContact CE-CD1 4.48Å; M340-Y515 HydrophobicContact CE-CD2 4.19Å; M340-Y515 HydrophobicContact CE-CE1 4.18Å; M340-Y515 HydrophobicContact CE-CE2 3.87Å; M340-Y515 HydrophobicContact CE-CG 4.49Å; M340-Y515 HydrophobicContact SD-CE1 4.48Å |
| 341 | G | 75.2 | Confident | 89.5 | Confident | 44 Ų | 44 | 46.5 Ų | 46.5 | 45% | 0.454 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.3 | 12.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | S339 V343 | S339-G341 PolarHBondContact O-N 3.47Å; G341-V343 PolarHBondContact O-N 3.12Å |
| 342 | C | 82.9 | Confident | 89.6 | Confident | 18 Ų | 18 | 54.2 Ų | 54.2 | 12% | 0.122 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -56.8 | -36.7 | 176.3 | -71.8 | 0 | 0 | 0 | 0 | 113.7 | W338 S339 P344 N481 | W338-C342 HydrophobicContact CE3-CB 4.23Å; W338-C342 WeakPolarHBondContact O-CB 3.18Å; S339-C342 PolarHBondContact O-N 3.18Å; S339-C342 PolarHBondContact O-SG 2.89Å; C342-P344 WeakPolarHBondContact O-CD 3.34Å; C342-N481 WeakPolarHBondContact SG-CB 3.33Å; C342-N481 PolarHBondContact SG-ND2 2.94Å |
| 343 | V | 87.5 | Confident | 90 | Very high | 9 Ų | 9 | 48.2 Ų | 48.2 | 6% | 0.055 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -118.6 | 93 | -177.4 | -170 | 0 | 0 | 0 | 0 | 108.5 | Y319 Y320 L323 W338 G341 | Y319-V343 HydrophobicContact CD1-CG1 3.97Å; Y319-V343 HydrophobicContact CE1-CG1 3.66Å; Y320-V343 HydrophobicContact CD1-CG1 4.12Å; Y320-V343 HydrophobicContact CE1-CB 4.18Å; Y320-V343 HydrophobicContact CE1-CG1 3.68Å; L323-V343 HydrophobicContact CD1-CB 4.49Å; L323-V343 HydrophobicContact CD1-CG1 3.63Å; L323-V343 HydrophobicContact CD1-CG2 3.98Å; W338-V343 HydrophobicContact CE3-CG2 3.98Å; W338-V343 HydrophobicContact CZ3-CG2 4.48Å; G341-V343 PolarHBondContact O-N 3.12Å |
| 344 | P | 88.3 | Confident | 90.3 | Very high | 73 Ų | 73 | 45.7 Ų | 45.7 | 47% | 0.474 | 26% | 0.26 | S | S | . | . | trans | -61.1 | 148.1 | 178.8 | -22.4 | 32.5 | 0 | 0 | 0 | 111.4 | C342 R353 | C342-P344 WeakPolarHBondContact O-CD 3.34Å; P344-R353 PolarHBondContact O-NH1 2.92Å | ||
| 345 | L | 91.8 | Very high | 90.4 | Very high | 26 Ų | 26 | 49.5 Ų | 49.5 | 14% | 0.136 | 28% | 0.283 | C | S | . | . | trans | -69.7 | 142 | 178.9 | -63.5 | 173.2 | 0 | 0 | 0 | 112 | P303 A304 E307 N316 K347 R353 | P303-L345 HydrophobicContact CB-CD1 4.12Å; P303-L345 HydrophobicContact CB-CD2 4.22Å; P303-L345 HydrophobicContact CB-CG 4.23Å; P303-L345 HydrophobicContact CG-CD2 4.19Å; P303-L345 HydrophobicContact CG-CG 4.42Å; A304-L345 HydrophobicContact CB-CD2 3.73Å; E307-L345 HydrophobicContact CG-CD1 3.42Å; E307-L345 VanDerWaalsContact CG-CD1 3.42Å; E307-L345 WeakPolarHBondContact OE1-CD1 3.34Å; N316-L345 HydrophobicContact CB-CD2 4.14Å; N316-L345 WeakPolarHBondContact OD1-CA 3.42Å; L345-K347 HydrophobicContact CB-CG 4.36Å; L345-R353 PolarHBondContact O-NH2 2.86Å | ||
| 346 | I | 94.3 | Very high | 90.5 | Very high | 4 Ų | 4 | 53.8 Ų | 53.8 | 2% | 0.021 | 30% | 0.3 | C | S | . | . | trans | -82 | 112.2 | 165.8 | -62.3 | 174.5 | 0 | 0 | 0 | 107.1 | V315 N316 Y319 S348 D351 R353 V354 L357 | V315-I346 HydrophobicContact CG1-CB 4.2Å; V315-I346 HydrophobicContact CG1-CD1 4.48Å; V315-I346 HydrophobicContact CG1-CG2 3.95Å; N316-I346 PolarHBondContact ND2-O 3.41Å; N316-I346 PolarHBondContact OD1-N 3.47Å; Y319-I346 HydrophobicContact CD1-CD1 3.9Å; Y319-I346 HydrophobicContact CD1-CG1 4.38Å; Y319-I346 HydrophobicContact CD2-CD1 3.99Å; Y319-I346 HydrophobicContact CE1-CD1 4.46Å; Y319-I346 HydrophobicContact CG-CD1 3.63Å; I346-S348 WeakPolarHBondContact CG2-O 3.34Å; I346-D351 HydrophobicContact CG2-CB 3.9Å; I346-R353 HydrophobicContact CD1-CB 3.74Å; I346-R353 HydrophobicContact CG1-CB 4.21Å; I346-V354 HydrophobicContact CG2-CG2 3.89Å; I346-L357 HydrophobicContact CD1-CD1 4.39Å | ||
| 347 | K | 93.7 | Very high | 90.7 | Very high | 146 Ų | 146 | 54.1 Ų | 54.1 | 64% | 0.635 | 30% | 0.301 | S | S | * | . | trans | -106.8 | -12.8 | -179.9 | -65.8 | -170.7 | 174.2 | -168.2 | 0 | 113.9 | E307 L345 | E307-K347 WeakPolarHBondContact OE1-CE 3.5Å; E307-K347 IonicContact OE1-NZ 2.75Å; L345-K347 HydrophobicContact CB-CG 4.36Å | ||
| 348 | S | 93.1 | Very high | 91 | Very high | 57 Ų | 57 | 58.4 Ų | 58.4 | 40% | 0.399 | 32% | 0.324 | S | S | . | . | trans | -130.2 | 146.7 | -178.3 | -179 | 0 | 0 | 0 | 0 | 111.3 | I346 T350 D351 | I346-S348 WeakPolarHBondContact CG2-O 3.34Å; S348-T350 PolarHBondContact O-N 3.06Å; S348-T350 PolarHBondContact OG-N 3.07Å; S348-T350 PolarHBondContact OG-OG1 2.68Å; S348-D351 VanDerWaalsContact O-CB 3.27Å; S348-D351 WeakPolarHBondContact O-CB 3.47Å; S348-D351 PolarHBondContact O-N 3.4Å | ||
| 349 | A | 88.5 | Confident | 91.3 | Very high | 90 Ų | 90 | 62 Ų | 62 | 74% | 0.744 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -18.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113 | D351 | A349-D351 PolarHBondContact O-N 3.36Š|
| 350 | T | 92.8 | Very high | 91.6 | Very high | 130 Ų | 130 | 62.8 Ų | 62.8 | 80% | 0.798 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -4.3 | 175.2 | 57.9 | 0 | 0 | 0 | 0 | 113.4 | S348 W352 | S348-T350 PolarHBondContact O-N 3.06Å; S348-T350 PolarHBondContact OG-N 3.07Å; S348-T350 PolarHBondContact OG-OG1 2.68Å; T350-W352 PolarHBondContact O-N 3.37Å |
| 351 | D | 95.4 | Very high | 92 | Very high | 33 Ų | 33 | 66.9 Ų | 66.9 | 18% | 0.176 | 36% | 0.361 | C | S | . | . | trans | -66.6 | 122 | 175.5 | -166.5 | -42.7 | 0 | 0 | 0 | 109.8 | I346 S348 A349 R353 V354 | I346-D351 HydrophobicContact CG2-CB 3.9Å; S348-D351 VanDerWaalsContact O-CB 3.27Å; S348-D351 WeakPolarHBondContact O-CB 3.47Å; S348-D351 PolarHBondContact O-N 3.4Å; A349-D351 PolarHBondContact O-N 3.36Å; D351-R353 PolarHBondContact O-N 3.25Å; D351-R353 VanDerWaalsContact OD1-CB 3.27Å; D351-R353 WeakPolarHBondContact OD1-CB 3.34Å; D351-R353 VanDerWaalsContact OD1-CG 3.27Å; D351-R353 WeakPolarHBondContact OD1-CG 3.39Å; D351-R353 IonicContact OD1-CZ 3.36Å; D351-R353 PolarHBondContact OD1-N 3.46Å; D351-R353 IonicContact OD1-NE 3.56Å; D351-R353 PolarHBondContact OD1-NE 3.15Å; D351-R353 IonicContact OD2-CZ 2.95Å; D351-R353 VanDerWaalsContact OD2-CZ 3.31Å; D351-R353 IonicContact OD2-NE 3.21Å; D351-R353 PolarHBondContact OD2-NE 3.23Å; D351-R353 VanDerWaalsContact OD2-NE 3.14Å; D351-R353 IonicContact OD2-NH2 3.55Å; D351-R353 PolarHBondContact OD2-NH2 3.46Å; D351-V354 HydrophobicContact CB-CG2 4.44Å; D351-V354 WeakPolarHBondContact O-CB 3.09Å; D351-V354 WeakPolarHBondContact O-CG2 3.46Å; D351-V354 PolarHBondContact O-N 3.16Å | ||
| 352 | W | 94.8 | Very high | 93.1 | Very high | 171 Ų | 171 | 69 Ų | 69 | 65% | 0.648 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -24.5 | -178 | 73.6 | -87.9 | 0 | 0 | 0 | 112.8 | T350 V354 V355 W356 | T350-W352 PolarHBondContact O-N 3.37Å; W352-V354 PolarHBondContact O-N 3.19Å; W352-V355 WeakPolarHBondContact O-CB 3.32Å; W352-V355 WeakPolarHBondContact O-CG2 3.41Å; W352-V355 PolarHBondContact O-N 2.88Å; W352-V355 VanDerWaalsContact O-N 3.12Å; W352-W356 AromaticContact CE3-NE1 3.92Å; W352-W356 AromaticContact CH2-NE1 3.7Å; W352-W356 AromaticContact CZ3-CD1 4Å; W352-W356 HydrophobicContact CZ3-CZ2 4.36Å; W352-W356 AromaticContact CZ3-NE1 3.11Å |
| 353 | R | 95.3 | Very high | 93.6 | Very high | 30 Ų | 30 | 71.8 Ų | 71.8 | 11% | 0.113 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -22 | 179.1 | -64.2 | 177.4 | -69.8 | 164.8 | 2.4 | 112.7 | Y319 P344 L345 I346 D351 V355 W356 L357 | Y319-R353 HydrophobicContact CD2-CB 4.42Å; Y319-R353 HydrophobicContact CE2-CB 3.87Å; Y319-R353 HydrophobicContact CE2-CG 4.39Å; Y319-R353 WeakPolarHBondContact OH-CD 3.45Å; P344-R353 PolarHBondContact O-NH1 2.92Å; L345-R353 PolarHBondContact O-NH2 2.86Å; I346-R353 HydrophobicContact CD1-CB 3.74Å; I346-R353 HydrophobicContact CG1-CB 4.21Å; D351-R353 PolarHBondContact O-N 3.25Å; D351-R353 VanDerWaalsContact OD1-CB 3.27Å; D351-R353 WeakPolarHBondContact OD1-CB 3.34Å; D351-R353 VanDerWaalsContact OD1-CG 3.27Å; D351-R353 WeakPolarHBondContact OD1-CG 3.39Å; D351-R353 IonicContact OD1-CZ 3.36Å; D351-R353 PolarHBondContact OD1-N 3.46Å; D351-R353 IonicContact OD1-NE 3.56Å; D351-R353 PolarHBondContact OD1-NE 3.15Å; D351-R353 IonicContact OD2-CZ 2.95Å; D351-R353 VanDerWaalsContact OD2-CZ 3.31Å; D351-R353 IonicContact OD2-NE 3.21Å; D351-R353 PolarHBondContact OD2-NE 3.23Å; D351-R353 VanDerWaalsContact OD2-NE 3.14Å; D351-R353 IonicContact OD2-NH2 3.55Å; D351-R353 PolarHBondContact OD2-NH2 3.46Å; R353-V355 PolarHBondContact O-N 3.28Å; R353-W356 WeakPolarHBondContact O-CB 3.15Å; R353-W356 PolarHBondContact O-N 2.9Å; R353-W356 VanDerWaalsContact O-N 3.12Å; R353-L357 WeakPolarHBondContact O-CD1 3.38Å |
| 354 | V | 94.9 | Very high | 94 | Very high | 32 Ų | 32 | 73.1 Ų | 73.1 | 19% | 0.194 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -58.3 | -29.3 | 174.3 | 175.7 | 0 | 0 | 0 | 0 | 111.8 | I346 D351 W352 W356 L357 L358 | I346-V354 HydrophobicContact CG2-CG2 3.89Å; D351-V354 HydrophobicContact CB-CG2 4.44Å; D351-V354 WeakPolarHBondContact O-CB 3.09Å; D351-V354 WeakPolarHBondContact O-CG2 3.46Å; D351-V354 PolarHBondContact O-N 3.16Å; W352-V354 PolarHBondContact O-N 3.19Å; V354-W356 PolarHBondContact O-N 3.5Å; V354-L357 WeakPolarHBondContact O-CB 3.42Å; V354-L357 PolarHBondContact O-N 3.4Å; V354-L358 PolarHBondContact O-N 3.25Å |
| 355 | V | 94.9 | Very high | 94.3 | Very high | 91 Ų | 91 | 74.8 Ų | 74.8 | 55% | 0.552 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -57.3 | -35.4 | 177.1 | 176.7 | 0 | 0 | 0 | 0 | 111.8 | W352 R353 L357 L358 L359 | W352-V355 WeakPolarHBondContact O-CB 3.32Å; W352-V355 WeakPolarHBondContact O-CG2 3.41Å; W352-V355 PolarHBondContact O-N 2.88Å; W352-V355 VanDerWaalsContact O-N 3.12Å; R353-V355 PolarHBondContact O-N 3.28Å; V355-L357 VanDerWaalsContact C-N 3.32Å; V355-L357 PolarHBondContact O-N 2.89Å; V355-L358 PolarHBondContact O-N 2.91Å; V355-L359 WeakPolarHBondContact O-CB 3.49Å; V355-L359 PolarHBondContact O-N 3.4Å |
| 356 | W | 94.7 | Very high | 94.4 | Very high | 91 Ų | 91 | 75.2 Ų | 75.2 | 35% | 0.345 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -66.6 | -33.1 | 178.6 | -64.7 | 114.7 | 0 | 0 | 0 | 113.1 | S322 W326 W352 R353 V354 L359 L360 | S322-W356 PolarHBondContact OG-O 3.02Å; W326-W356 HydrophobicContact CZ3-CZ3 4.48Å; W352-W356 AromaticContact CE3-NE1 3.92Å; W352-W356 AromaticContact CH2-NE1 3.7Å; W352-W356 AromaticContact CZ3-CD1 4Å; W352-W356 HydrophobicContact CZ3-CZ2 4.36Å; W352-W356 AromaticContact CZ3-NE1 3.11Å; R353-W356 WeakPolarHBondContact O-CB 3.15Å; R353-W356 PolarHBondContact O-N 2.9Å; R353-W356 VanDerWaalsContact O-N 3.12Å; V354-W356 PolarHBondContact O-N 3.5Å; W356-L359 HydrophobicContact CE3-CD2 3.86Å; W356-L359 HydrophobicContact CZ3-CD2 3.79Å; W356-L359 PolarHBondContact O-N 3.35Å; W356-L360 WeakPolarHBondContact O-CB 3.4Å; W356-L360 PolarHBondContact O-N 3.39Å |
| 357 | L | 94.4 | Very high | 94.3 | Very high | 15 Ų | 15 | 77.4 Ų | 77.4 | 8% | 0.079 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -69.2 | -45.1 | 177.6 | -69.3 | 58.6 | 0 | 0 | 0 | 109.6 | V315 N318 Y319 I346 R353 V354 V355 L359 L360 W361 | V315-L357 HydrophobicContact CG1-CD2 3.81Å; V315-L357 WeakPolarHBondContact O-CD2 3.48Å; N318-L357 HydrophobicContact CB-CD2 3.98Å; N318-L357 HydrophobicContact CB-CG 4.06Å; Y319-L357 HydrophobicContact CD2-CD1 3.57Å; Y319-L357 HydrophobicContact CG-CD1 4.1Å; I346-L357 HydrophobicContact CD1-CD1 4.39Å; R353-L357 WeakPolarHBondContact O-CD1 3.38Å; V354-L357 WeakPolarHBondContact O-CB 3.42Å; V354-L357 PolarHBondContact O-N 3.4Å; V355-L357 VanDerWaalsContact C-N 3.32Å; V355-L357 PolarHBondContact O-N 2.89Å; L357-L359 VanDerWaalsContact C-N 3.34Å; L357-L360 PolarHBondContact O-N 3.02Å; L357-W361 VanDerWaalsContact O-CD1 3.27Å; L357-W361 PolarHBondContact O-N 2.74Å |
| 358 | L | 94.3 | Very high | 94.2 | Very high | 111 Ų | 111 | 73.5 Ų | 73.5 | 58% | 0.581 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -60.5 | -46.7 | 176.2 | -62.7 | 177 | 0 | 0 | 0 | 110.2 | V354 V355 L360 W361 C362 | V354-L358 PolarHBondContact O-N 3.25Å; V355-L358 PolarHBondContact O-N 2.91Å; L358-L360 PolarHBondContact O-N 3.26Å; L358-W361 PolarHBondContact O-N 3.1Å; L358-C362 VanDerWaalsContact O-CB 3.32Å; L358-C362 WeakPolarHBondContact O-CB 3.46Å; L358-C362 PolarHBondContact O-N 3.07Å; L358-C362 PolarHBondContact O-SG 3.22Å |
| 359 | L | 95.8 | Very high | 94 | Very high | 90 Ų | 90 | 73.5 Ų | 73.5 | 47% | 0.471 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -60.1 | -46.3 | 177.5 | -176.9 | 64.1 | 0 | 0 | 0 | 112 | V355 W356 L357 W361 C362 V363 | V355-L359 WeakPolarHBondContact O-CB 3.49Å; V355-L359 PolarHBondContact O-N 3.4Å; W356-L359 HydrophobicContact CE3-CD2 3.86Å; W356-L359 HydrophobicContact CZ3-CD2 3.79Å; W356-L359 PolarHBondContact O-N 3.35Å; L357-L359 VanDerWaalsContact C-N 3.34Å; L359-W361 PolarHBondContact O-N 3.09Å; L359-C362 PolarHBondContact O-N 2.88Å; L359-V363 HydrophobicContact CD1-CG2 4.28Å; L359-V363 VanDerWaalsContact O-CG2 3.24Å; L359-V363 WeakPolarHBondContact O-CG2 3.49Å; L359-V363 PolarHBondContact O-N 2.91Å |
| 360 | L | 95.5 | Very high | 94 | Very high | 25 Ų | 25 | 73 Ų | 73 | 13% | 0.131 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -55.4 | -53.2 | 177.1 | 175.5 | 70.7 | 0 | 0 | 0 | 110.8 | S322 A325 W356 L357 L358 V363 L364 | S322-L360 WeakPolarHBondContact OG-CD2 3.41Å; A325-L360 HydrophobicContact CB-CD1 3.78Å; W356-L360 WeakPolarHBondContact O-CB 3.4Å; W356-L360 PolarHBondContact O-N 3.39Å; L357-L360 PolarHBondContact O-N 3.02Å; L358-L360 PolarHBondContact O-N 3.26Å; L360-V363 PolarHBondContact O-N 2.89Å; L360-L364 HydrophobicContact CD1-CD1 3.93Å; L360-L364 HydrophobicContact CD1-CG 4.26Å; L360-L364 HydrophobicContact CD2-CD1 4.5Å; L360-L364 HydrophobicContact CG-CD1 3.91Å; L360-L364 HydrophobicContact CG-CG 4.5Å; L360-L364 WeakPolarHBondContact O-CB 3.1Å; L360-L364 WeakPolarHBondContact O-CG 3.45Å; L360-L364 PolarHBondContact O-N 2.85Å |
| 361 | W | 95.4 | Very high | 93.7 | Very high | 119 Ų | 119 | 66.9 Ų | 66.9 | 45% | 0.451 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -69.7 | -36.8 | -177.3 | -77.3 | 109.6 | 0 | 0 | 0 | 112.6 | N318 L357 L358 L359 V363 L364 I365 | N318-W361 VanDerWaalsContact OD1-CE2 3.3Å; N318-W361 VanDerWaalsContact OD1-CZ2 3.28Å; N318-W361 WeakPolarHBondContact OD1-CZ2 3.25Å; N318-W361 PolarHBondContact OD1-NE1 3.05Å; L357-W361 VanDerWaalsContact O-CD1 3.27Å; L357-W361 PolarHBondContact O-N 2.74Å; L358-W361 PolarHBondContact O-N 3.1Å; L359-W361 PolarHBondContact O-N 3.09Å; W361-V363 VanDerWaalsContact C-N 3.33Å; W361-V363 PolarHBondContact O-N 3.23Å; W361-L364 HydrophobicContact CE3-CB 4.5Å; W361-L364 HydrophobicContact CE3-CD1 4.37Å; W361-L364 HydrophobicContact CZ3-CD1 4.47Å; W361-L364 PolarHBondContact O-N 2.87Å; W361-I365 HydrophobicContact CB-CD1 4.44Å; W361-I365 VanDerWaalsContact O-CB 3.22Å; W361-I365 WeakPolarHBondContact O-CB 3.26Å; W361-I365 WeakPolarHBondContact O-CD1 3.4Å; W361-I365 WeakPolarHBondContact O-CG1 3.32Å; W361-I365 PolarHBondContact O-N 2.91Å |
| 362 | C | 96.7 | Very high | 93 | Very high | 87 Ų | 87 | 68 Ų | 68 | 59% | 0.588 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -58.3 | -45.4 | 172.4 | -74.4 | 0 | 0 | 0 | 0 | 111.6 | L358 L359 G366 | L358-C362 VanDerWaalsContact O-CB 3.32Å; L358-C362 WeakPolarHBondContact O-CB 3.46Å; L358-C362 PolarHBondContact O-N 3.07Å; L358-C362 PolarHBondContact O-SG 3.22Å; L359-C362 PolarHBondContact O-N 2.88Å; C362-G366 PolarHBondContact O-N 3.49Å |
| 363 | V | 95 | Very high | 92.4 | Very high | 77 Ų | 77 | 63 Ų | 63 | 47% | 0.467 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -67 | -46.8 | 177.8 | 173.1 | 0 | 0 | 0 | 0 | 111 | L359 L360 W361 G366 L367 | L359-V363 HydrophobicContact CD1-CG2 4.28Å; L359-V363 VanDerWaalsContact O-CG2 3.24Å; L359-V363 WeakPolarHBondContact O-CG2 3.49Å; L359-V363 PolarHBondContact O-N 2.91Å; L360-V363 PolarHBondContact O-N 2.89Å; W361-V363 VanDerWaalsContact C-N 3.33Å; W361-V363 PolarHBondContact O-N 3.23Å; V363-G366 PolarHBondContact O-N 3.42Å; V363-L367 HydrophobicContact CG1-CD1 3.98Å; V363-L367 HydrophobicContact CG1-CG 4.38Å; V363-L367 WeakPolarHBondContact O-CG 3.35Å; V363-L367 PolarHBondContact O-N 3.48Å |
| 364 | L | 94.4 | Very high | 91.8 | Very high | 38 Ų | 38 | 61.9 Ų | 61.9 | 20% | 0.199 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.2 | -45.5 | 179.5 | -74.6 | 176.5 | 0 | 0 | 0 | 111.9 | L360 W361 G366 L367 V368 L387 | L360-L364 HydrophobicContact CD1-CD1 3.93Å; L360-L364 HydrophobicContact CD1-CG 4.26Å; L360-L364 HydrophobicContact CD2-CD1 4.5Å; L360-L364 HydrophobicContact CG-CD1 3.91Å; L360-L364 HydrophobicContact CG-CG 4.5Å; L360-L364 WeakPolarHBondContact O-CB 3.1Å; L360-L364 WeakPolarHBondContact O-CG 3.45Å; L360-L364 PolarHBondContact O-N 2.85Å; W361-L364 HydrophobicContact CE3-CB 4.5Å; W361-L364 HydrophobicContact CE3-CD1 4.37Å; W361-L364 HydrophobicContact CZ3-CD1 4.47Å; W361-L364 PolarHBondContact O-N 2.87Å; L364-G366 VanDerWaalsContact C-N 3.3Å; L364-G366 PolarHBondContact O-N 3.11Å; L364-L367 PolarHBondContact O-N 2.82Å; L364-V368 WeakPolarHBondContact O-CB 3.36Å; L364-V368 VanDerWaalsContact O-CG2 3.23Å; L364-V368 WeakPolarHBondContact O-CG2 3.49Å; L364-V368 PolarHBondContact O-N 3.17Å; L364-L387 HydrophobicContact CD2-CD2 4.48Å |
| 365 | I | 94.6 | Very high | 90.8 | Very high | 107 Ų | 107 | 66.5 Ų | 66.5 | 55% | 0.549 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -60.8 | -42.8 | 175.8 | -69.1 | 165.4 | 0 | 0 | 0 | 110.1 | W361 V368 S369 | W361-I365 HydrophobicContact CB-CD1 4.44Å; W361-I365 VanDerWaalsContact O-CB 3.22Å; W361-I365 WeakPolarHBondContact O-CB 3.26Å; W361-I365 WeakPolarHBondContact O-CD1 3.4Å; W361-I365 WeakPolarHBondContact O-CG1 3.32Å; W361-I365 PolarHBondContact O-N 2.91Å; I365-V368 PolarHBondContact O-N 2.89Å; I365-S369 WeakPolarHBondContact O-CB 3.46Å; I365-S369 PolarHBondContact O-N 3.4Å |
| 366 | G | 93.5 | Very high | 90.2 | Very high | 35 Ų | 35 | 65.1 Ų | 65.1 | 36% | 0.361 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -59.9 | -46.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | C362 V363 L364 S369 Q370 | C362-G366 PolarHBondContact O-N 3.49Å; V363-G366 PolarHBondContact O-N 3.42Å; L364-G366 VanDerWaalsContact C-N 3.3Å; L364-G366 PolarHBondContact O-N 3.11Å; G366-S369 PolarHBondContact O-N 3.27Å; G366-Q370 VanDerWaalsContact O-CG 3.28Å; G366-Q370 WeakPolarHBondContact O-CG 3.44Å; G366-Q370 PolarHBondContact O-N 2.54Å |
| 367 | L | 92.6 | Very high | 89.3 | Confident | 50 Ų | 50 | 62.7 Ų | 62.7 | 26% | 0.262 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.7 | -44.2 | 177.5 | -72.9 | 173.4 | 0 | 0 | 0 | 112.1 | V363 L364 Q370 A371 L387 | V363-L367 HydrophobicContact CG1-CD1 3.98Å; V363-L367 HydrophobicContact CG1-CG 4.38Å; V363-L367 WeakPolarHBondContact O-CG 3.35Å; V363-L367 PolarHBondContact O-N 3.48Å; L364-L367 PolarHBondContact O-N 2.82Å; L367-Q370 PolarHBondContact O-N 3.05Å; L367-A371 VanDerWaalsContact O-CB 3.22Å; L367-A371 WeakPolarHBondContact O-CB 3.36Å; L367-A371 PolarHBondContact O-N 3.01Å; L367-L387 HydrophobicContact CB-CD1 4.3Å; L367-L387 HydrophobicContact CB-CD2 4.23Å; L367-L387 HydrophobicContact CD1-CD2 4.39Å |
| 368 | V | 91.3 | Very high | 88.5 | Confident | 65 Ų | 65 | 63.1 Ų | 63.1 | 39% | 0.394 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63.1 | -44.2 | 176.9 | 170.3 | 0 | 0 | 0 | 0 | 110.5 | L364 I365 Q370 A371 L372 L387 | L364-V368 WeakPolarHBondContact O-CB 3.36Å; L364-V368 VanDerWaalsContact O-CG2 3.23Å; L364-V368 WeakPolarHBondContact O-CG2 3.49Å; L364-V368 PolarHBondContact O-N 3.17Å; I365-V368 PolarHBondContact O-N 2.89Å; V368-Q370 VanDerWaalsContact C-N 3.33Å; V368-Q370 PolarHBondContact O-N 3.07Å; V368-A371 CarbonylContact O-C 3.53Å; V368-A371 PolarHBondContact O-N 2.65Å; V368-A371 VanDerWaalsContact O-N 3.16Å; V368-L372 HydrophobicContact CG1-CD1 3.76Å; V368-L372 HydrophobicContact CG1-CG 4.35Å; V368-L372 WeakPolarHBondContact O-CB 3.32Å; V368-L372 VanDerWaalsContact O-CG 3.31Å; V368-L372 WeakPolarHBondContact O-CG 3.17Å; V368-L372 PolarHBondContact O-N 3.09Å; V368-L387 HydrophobicContact CG2-CD1 3.93Å |
| 369 | S | 88.6 | Confident | 88 | Confident | 57 Ų | 57 | 62 Ų | 62 | 40% | 0.399 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -58.9 | -44.6 | 175.5 | 179.5 | 0 | 0 | 0 | 0 | 111.4 | I365 G366 L372 C373 | I365-S369 WeakPolarHBondContact O-CB 3.46Å; I365-S369 PolarHBondContact O-N 3.4Å; G366-S369 PolarHBondContact O-N 3.27Å; S369-L372 PolarHBondContact O-N 3.12Å; S369-C373 VanDerWaalsContact O-CB 3.27Å; S369-C373 WeakPolarHBondContact O-CB 3.31Å; S369-C373 PolarHBondContact O-N 3.29Å |
| 370 | Q | 88.5 | Confident | 87.5 | Confident | 78 Ų | 78 | 59.9 Ų | 59.9 | 36% | 0.364 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -67.9 | -37 | 175 | -67 | -65.7 | -34.1 | 0 | 0 | 112.5 | G366 L367 V368 L372 S374 R379 L383 | G366-Q370 VanDerWaalsContact O-CG 3.28Å; G366-Q370 WeakPolarHBondContact O-CG 3.44Å; G366-Q370 PolarHBondContact O-N 2.54Å; L367-Q370 PolarHBondContact O-N 3.05Å; V368-Q370 VanDerWaalsContact C-N 3.33Å; V368-Q370 PolarHBondContact O-N 3.07Å; Q370-L372 PolarHBondContact O-N 3.11Å; Q370-S374 WeakPolarHBondContact O-CB 3.36Å; Q370-S374 PolarHBondContact O-N 3.21Å; Q370-R379 VanDerWaalsContact OE1-CZ 3.23Å; Q370-L383 HydrophobicContact CB-CD1 3.79Å |
| 371 | A | 86.9 | Confident | 86.9 | Confident | 3 Ų | 3 | 60.1 Ų | 60.1 | 3% | 0.025 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -71.1 | -14.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | L367 V368 R380 L383 T384 L387 | L367-A371 VanDerWaalsContact O-CB 3.22Å; L367-A371 WeakPolarHBondContact O-CB 3.36Å; L367-A371 PolarHBondContact O-N 3.01Å; V368-A371 CarbonylContact O-C 3.53Å; V368-A371 PolarHBondContact O-N 2.65Å; V368-A371 VanDerWaalsContact O-N 3.16Å; A371-R380 WeakPolarHBondContact O-CG 3.34Å; A371-L383 HydrophobicContact CB-CB 3.75Å; A371-T384 PolarHBondContact O-OG1 2.94Å; A371-L387 HydrophobicContact CB-CD1 3.76Å |
| 372 | L | 81.9 | Confident | 86.6 | Confident | 55 Ų | 55 | 54.5 Ų | 54.5 | 29% | 0.288 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -107.4 | -44.4 | 177.6 | -65.4 | 176 | 0 | 0 | 0 | 111.8 | V244 Y245 V368 S369 Q370 R380 | V244-L372 HydrophobicContact CB-CD2 3.74Å; V244-L372 HydrophobicContact CG1-CD2 3.63Å; V244-L372 HydrophobicContact CG2-CD2 4.41Å; Y245-L372 WeakPolarHBondContact CB-O 3.34Å; V368-L372 HydrophobicContact CG1-CD1 3.76Å; V368-L372 HydrophobicContact CG1-CG 4.35Å; V368-L372 WeakPolarHBondContact O-CB 3.32Å; V368-L372 VanDerWaalsContact O-CG 3.31Å; V368-L372 WeakPolarHBondContact O-CG 3.17Å; V368-L372 PolarHBondContact O-N 3.09Å; S369-L372 PolarHBondContact O-N 3.12Å; Q370-L372 PolarHBondContact O-N 3.11Å; L372-R380 WeakPolarHBondContact O-CD 3.25Å |
| 373 | C | 81.3 | Confident | 86.3 | Confident | 68 Ų | 68 | 50.6 Ų | 50.6 | 46% | 0.459 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -101.7 | -1.4 | -167.4 | -54.5 | 0 | 0 | 0 | 0 | 114.4 | Y245 S369 | Y245-C373 HydrophobicContact CD2-CB 4.46Å; S369-C373 VanDerWaalsContact O-CB 3.27Å; S369-C373 WeakPolarHBondContact O-CB 3.31Å; S369-C373 PolarHBondContact O-N 3.29Å |
| 374 | S | 82.2 | Confident | 86.1 | Confident | 5 Ų | 5 | 48 Ų | 48 | 4% | 0.035 | 27% | 0.271 | C | S | . | . | trans | -68.8 | 134.8 | -178.6 | -167.8 | 0 | 0 | 0 | 0 | 111.8 | Q370 D376 R379 R380 | Q370-S374 WeakPolarHBondContact O-CB 3.36Å; Q370-S374 PolarHBondContact O-N 3.21Å; S374-D376 VanDerWaalsContact C-N 3.27Å; S374-D376 PolarHBondContact O-N 3.03Å; S374-R379 WeakPolarHBondContact OG-CD 3.27Å; S374-R380 PolarHBondContact O-NH1 3.23Å | ||
| 375 | P | 74.9 | Confident | 86 | Confident | 130 Ų | 130 | 46.2 Ų | 46.2 | 84% | 0.844 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -68.5 | -26.8 | 178.7 | 27 | -34.7 | 0 | 0 | 0 | 112.5 | S377 | P375-S377 PolarHBondContact O-N 3.1Š|
| 376 | D | 80.9 | Confident | 86 | Confident | 62 Ų | 62 | 41.1 Ų | 41.1 | 33% | 0.332 | 24% | 0.235 | S | C | . | . | trans | -78.2 | 114.9 | 176.8 | 174.1 | 2.7 | 0 | 0 | 0 | 110.3 | S374 Q378 R379 R380 | S374-D376 VanDerWaalsContact C-N 3.27Å; S374-D376 PolarHBondContact O-N 3.03Å; D376-Q378 VanDerWaalsContact C-N 3.34Å; D376-Q378 PolarHBondContact O-N 3.49Å; D376-Q378 PolarHBondContact OD1-N 3.24Å; D376-R379 HydrophobicContact CB-CB 3.81Å; D376-R379 PolarHBondContact O-N 2.95Å; D376-R379 PolarHBondContact OD1-N 3.14Å; D376-R379 WeakPolarHBondContact OD2-CB 3.38Å; D376-R380 WeakPolarHBondContact O-CB 3.45Å; D376-R380 PolarHBondContact O-N 3.08Å | ||
| 377 | S | 76.1 | Confident | 86.1 | Confident | 39 Ų | 39 | 40.4 Ų | 40.4 | 27% | 0.273 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61 | -39.3 | -179.9 | -167.2 | 0 | 0 | 0 | 0 | 112.7 | P375 R380 R381 | P375-S377 PolarHBondContact O-N 3.1Å; S377-R380 PolarHBondContact OG-NH2 2.68Å; S377-R381 WeakPolarHBondContact O-CB 3.14Å; S377-R381 PolarHBondContact O-N 3.45Å |
| 378 | Q | 78.7 | Confident | 86.2 | Confident | 25 Ų | 25 | 39 Ų | 39 | 12% | 0.117 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -71.3 | -40.6 | -179.7 | -65.2 | -173.7 | -20.2 | 0 | 0 | 110.9 | T4 W8 D376 T382 | T4-Q378 PolarHBondContact O-NE2 3.33Å; T4-Q378 VanDerWaalsContact O-NE2 3.13Å; W8-Q378 HydrophobicContact CH2-CB 3.37Å; W8-Q378 HydrophobicContact CZ2-CB 4.29Å; W8-Q378 HydrophobicContact CZ3-CB 3.94Å; D376-Q378 VanDerWaalsContact C-N 3.34Å; D376-Q378 PolarHBondContact O-N 3.49Å; D376-Q378 PolarHBondContact OD1-N 3.24Å; Q378-T382 WeakPolarHBondContact O-CB 3.16Å; Q378-T382 PolarHBondContact O-N 3.48Å; Q378-T382 PolarHBondContact O-OG1 3.06Å |
| 379 | R | 83.5 | Confident | 86.4 | Confident | 87 Ų | 87 | 36.2 Ų | 36.2 | 33% | 0.328 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -60.7 | -50.3 | 173.8 | 169.3 | 165.9 | -174.5 | -173.9 | 3.9 | 111.2 | Q370 S374 D376 R381 T382 L383 Y426 | Q370-R379 VanDerWaalsContact OE1-CZ 3.23Å; S374-R379 WeakPolarHBondContact OG-CD 3.27Å; D376-R379 HydrophobicContact CB-CB 3.81Å; D376-R379 PolarHBondContact O-N 2.95Å; D376-R379 PolarHBondContact OD1-N 3.14Å; D376-R379 WeakPolarHBondContact OD2-CB 3.38Å; R379-R381 VanDerWaalsContact C-N 3.34Å; R379-R381 PolarHBondContact O-N 3.49Å; R379-T382 PolarHBondContact O-N 3.05Å; R379-L383 HydrophobicContact CG-CD1 3.83Å; R379-L383 HydrophobicContact CG-CG 4.44Å; R379-L383 WeakPolarHBondContact O-CB 3.12Å; R379-L383 VanDerWaalsContact O-CG 3.3Å; R379-L383 WeakPolarHBondContact O-CG 3.21Å; R379-L383 PolarHBondContact O-N 3.25Å; R379-Y426 WeakPolarHBondContact CD-OH 3.31Å; R379-Y426 WeakPolarHBondContact CG-OH 3.5Å; R379-Y426 PolarHBondContact NE-OH 2.91Å |
| 380 | R | 84.5 | Confident | 86.8 | Confident | 45 Ų | 45 | 35 Ų | 35 | 17% | 0.17 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -53.3 | -55.3 | 178.5 | -168.4 | 174.5 | 52.6 | -108.2 | 2.3 | 109.6 | A371 L372 S374 D376 S377 T382 L383 T384 | A371-R380 WeakPolarHBondContact O-CG 3.34Å; L372-R380 WeakPolarHBondContact O-CD 3.25Å; S374-R380 PolarHBondContact O-NH1 3.23Å; D376-R380 WeakPolarHBondContact O-CB 3.45Å; D376-R380 PolarHBondContact O-N 3.08Å; S377-R380 PolarHBondContact OG-NH2 2.68Å; R380-T382 PolarHBondContact O-N 3.31Å; R380-L383 PolarHBondContact O-N 3.24Å; R380-T384 PolarHBondContact O-N 3.46Å; R380-T384 PolarHBondContact O-OG1 3.18Å |
| 381 | R | 84.3 | Confident | 87.2 | Confident | 31 Ų | 31 | 34.4 Ų | 34.4 | 12% | 0.117 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -55.1 | -51.6 | 179.3 | 179 | 179.3 | 168.7 | -174 | -4.7 | 113.8 | I128 L129 I130 G131 L238 S377 R379 L383 T384 F385 | I128-R381 PolarHBondContact O-NH2 2.78Å; L129-R381 VanDerWaalsContact O-CZ 3.3Å; L129-R381 PolarHBondContact O-NE 3.4Å; L129-R381 PolarHBondContact O-NH2 3.19Å; I130-R381 PolarHBondContact O-NE 3.25Å; I130-R381 PolarHBondContact O-NH1 3.32Å; I130-R381 PolarHBondContact O-NH2 3.34Å; G131-R381 VanDerWaalsContact C-NH1 3.32Å; G131-R381 VanDerWaalsContact C-NH2 3.35Å; G131-R381 PolarHBondContact O-NH1 2.98Å; L238-R381 VanDerWaalsContact CD1-NE 3.27Å; S377-R381 WeakPolarHBondContact O-CB 3.14Å; S377-R381 PolarHBondContact O-N 3.45Å; R379-R381 VanDerWaalsContact C-N 3.34Å; R379-R381 PolarHBondContact O-N 3.49Å; R381-L383 VanDerWaalsContact C-N 3.34Å; R381-L383 PolarHBondContact O-N 3.31Å; R381-T384 PolarHBondContact O-N 3.32Å; R381-F385 HydrophobicContact CG-CD2 3.8Å; R381-F385 HydrophobicContact CG-CE2 3.85Å; R381-F385 WeakPolarHBondContact O-CD2 3.48Å; R381-F385 PolarHBondContact O-N 3.45Å |
| 382 | T | 87.8 | Confident | 87.6 | Confident | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.006 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.7 | -42.8 | -177.7 | -55.2 | 0 | 0 | 0 | 0 | 111 | I130 Q378 R379 R380 G386 L422 Y426 | I130-T382 HydrophobicContact CG1-CG2 4.39Å; Q378-T382 WeakPolarHBondContact O-CB 3.16Å; Q378-T382 PolarHBondContact O-N 3.48Å; Q378-T382 PolarHBondContact O-OG1 3.06Å; R379-T382 PolarHBondContact O-N 3.05Å; R380-T382 PolarHBondContact O-N 3.31Å; T382-G386 PolarHBondContact O-N 3.23Å; T382-L422 HydrophobicContact CG2-CD1 4.3Å; T382-L422 HydrophobicContact CG2-CG 4.4Å; T382-Y426 HydrophobicContact CG2-CD2 3.85Å; T382-Y426 HydrophobicContact CG2-CG 4.01Å |
| 383 | L | 90.9 | Very high | 88.2 | Confident | 5 Ų | 5 | 33.2 Ų | 33.2 | 3% | 0.026 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -67.3 | -42.5 | 177.4 | -67.7 | 177.2 | 0 | 0 | 0 | 112 | Q370 A371 R379 R380 R381 G386 L387 L423 Y426 | Q370-L383 HydrophobicContact CB-CD1 3.79Å; A371-L383 HydrophobicContact CB-CB 3.75Å; R379-L383 HydrophobicContact CG-CD1 3.83Å; R379-L383 HydrophobicContact CG-CG 4.44Å; R379-L383 WeakPolarHBondContact O-CB 3.12Å; R379-L383 VanDerWaalsContact O-CG 3.3Å; R379-L383 WeakPolarHBondContact O-CG 3.21Å; R379-L383 PolarHBondContact O-N 3.25Å; R380-L383 PolarHBondContact O-N 3.24Å; R381-L383 VanDerWaalsContact C-N 3.34Å; R381-L383 PolarHBondContact O-N 3.31Å; L383-G386 PolarHBondContact O-N 3.48Å; L383-L387 WeakPolarHBondContact O-CB 3.38Å; L383-L387 WeakPolarHBondContact O-CG 3.23Å; L383-L387 PolarHBondContact O-N 3.36Å; L383-L423 HydrophobicContact CD2-CD2 3.67Å; L383-Y426 HydrophobicContact CD2-CD1 3.8Å; L383-Y426 HydrophobicContact CD2-CE1 3.8Å; L383-Y426 HydrophobicContact CG-CE1 4.19Å |
| 384 | T | 91.1 | Very high | 88.8 | Confident | 22 Ų | 22 | 31.5 Ų | 31.5 | 14% | 0.135 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.3 | -47.6 | 178.3 | -45.1 | 0 | 0 | 0 | 0 | 111.2 | L237 A371 R380 R381 L387 V388 | L237-T384 HydrophobicContact CD1-CG2 3.39Å; L237-T384 HydrophobicContact CD2-CG2 4.44Å; A371-T384 PolarHBondContact O-OG1 2.94Å; R380-T384 PolarHBondContact O-N 3.46Å; R380-T384 PolarHBondContact O-OG1 3.18Å; R381-T384 PolarHBondContact O-N 3.32Å; T384-L387 PolarHBondContact O-N 2.8Å; T384-V388 VanDerWaalsContact O-CG2 3.31Å; T384-V388 WeakPolarHBondContact O-CG2 3.37Å; T384-V388 PolarHBondContact O-N 3.1Å |
| 385 | F | 91.8 | Very high | 89.3 | Confident | 1 Ų | 1 | 34 Ų | 34 | 0% | 0.004 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -69.6 | -34.4 | 178.9 | -76.4 | -57.5 | 0 | 0 | 0 | 113.2 | L129 F234 L237 L238 R381 L387 V388 L389 | L129-F385 HydrophobicContact CB-CB 4.27Å; L129-F385 HydrophobicContact CB-CD2 4.46Å; L129-F385 HydrophobicContact CB-CG 4.39Å; L129-F385 HydrophobicContact CD2-CB 4.23Å; L129-F385 HydrophobicContact CD2-CD1 3.67Å; L129-F385 HydrophobicContact CD2-CD2 4.22Å; L129-F385 HydrophobicContact CD2-CE1 4.04Å; L129-F385 HydrophobicContact CD2-CG 3.79Å; L129-F385 HydrophobicContact CD2-CZ 4.46Å; F234-F385 HydrophobicContact CB-CE1 4.07Å; F234-F385 HydrophobicContact CB-CZ 4.4Å; F234-F385 HydrophobicContact CD2-CE1 4.27Å; F234-F385 HydrophobicContact CD2-CZ 4.06Å; L237-F385 HydrophobicContact CB-CZ 3.96Å; L237-F385 HydrophobicContact CD1-CE1 4.2Å; L237-F385 HydrophobicContact CD1-CZ 4.31Å; L238-F385 HydrophobicContact CB-CZ 4.25Å; L238-F385 HydrophobicContact CD1-CE2 4.35Å; R381-F385 HydrophobicContact CG-CD2 3.8Å; R381-F385 HydrophobicContact CG-CE2 3.85Å; R381-F385 WeakPolarHBondContact O-CD2 3.48Å; R381-F385 PolarHBondContact O-N 3.45Å; F385-L387 VanDerWaalsContact C-N 3.34Å; F385-V388 PolarHBondContact O-N 3.1Å; F385-L389 WeakPolarHBondContact O-CB 3.3Å; F385-L389 PolarHBondContact O-N 3.04Å |
| 386 | G | 94.4 | Very high | 90 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.4 | -45.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | T382 L383 L390 G419 | T382-G386 PolarHBondContact O-N 3.23Å; L383-G386 PolarHBondContact O-N 3.48Å; G386-L390 VanDerWaalsContact O-CB 3.25Å; G386-L390 WeakPolarHBondContact O-CB 3.5Å; G386-L390 PolarHBondContact O-N 3.39Å; G386-G419 VanDerWaalsContact O-CA 3.24Å; G386-G419 WeakPolarHBondContact O-CA 3.11Å |
| 387 | L | 95.5 | Very high | 90.4 | Very high | 19 Ų | 19 | 26.6 Ų | 26.6 | 10% | 0.099 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -68.4 | -40 | 176.2 | -71.9 | 170.7 | 0 | 0 | 0 | 112.9 | L364 L367 V368 A371 L383 T384 F385 L390 V391 L423 | L364-L387 HydrophobicContact CD2-CD2 4.48Å; L367-L387 HydrophobicContact CB-CD1 4.3Å; L367-L387 HydrophobicContact CB-CD2 4.23Å; L367-L387 HydrophobicContact CD1-CD2 4.39Å; V368-L387 HydrophobicContact CG2-CD1 3.93Å; A371-L387 HydrophobicContact CB-CD1 3.76Å; L383-L387 WeakPolarHBondContact O-CB 3.38Å; L383-L387 WeakPolarHBondContact O-CG 3.23Å; L383-L387 PolarHBondContact O-N 3.36Å; T384-L387 PolarHBondContact O-N 2.8Å; F385-L387 VanDerWaalsContact C-N 3.34Å; L387-L390 PolarHBondContact O-N 3.32Å; L387-V391 WeakPolarHBondContact O-CB 3.45Å; L387-V391 WeakPolarHBondContact O-CG2 3.5Å; L387-V391 PolarHBondContact O-N 2.75Å; L387-L423 HydrophobicContact CD2-CD1 4.38Å |
| 388 | V | 95.3 | Very high | 91 | Very high | 22 Ų | 22 | 25 Ų | 25 | 13% | 0.133 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -60.6 | -49.2 | 175.9 | 165.2 | 0 | 0 | 0 | 0 | 110.5 | V230 A233 T384 F385 L390 V392 P393 | V230-V388 HydrophobicContact CB-CG1 4.39Å; V230-V388 HydrophobicContact CG1-CG1 4.37Å; V230-V388 HydrophobicContact CG2-CG1 4.02Å; A233-V388 HydrophobicContact CB-CG1 3.88Å; A233-V388 HydrophobicContact CB-CG2 3.91Å; T384-V388 VanDerWaalsContact O-CG2 3.31Å; T384-V388 WeakPolarHBondContact O-CG2 3.37Å; T384-V388 PolarHBondContact O-N 3.1Å; F385-V388 PolarHBondContact O-N 3.1Å; V388-L390 VanDerWaalsContact C-N 3.26Å; V388-L390 PolarHBondContact O-N 3.01Å; V388-V392 HydrophobicContact CG1-CG2 4.07Å; V388-V392 VanDerWaalsContact O-CB 3.24Å; V388-V392 WeakPolarHBondContact O-CB 3.13Å; V388-V392 WeakPolarHBondContact O-CG2 3.43Å; V388-V392 PolarHBondContact O-N 2.88Å; V388-P393 WeakPolarHBondContact O-CD 3.32Å |
| 389 | L | 96.2 | Very high | 91.4 | Very high | 5 Ų | 5 | 24.4 Ų | 24.4 | 3% | 0.026 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -66.9 | -26.6 | 177.1 | -76.1 | -177.5 | 0 | 0 | 0 | 113.1 | F126 L129 V230 F385 P393 S416 | F126-L389 HydrophobicContact CE1-CD1 4.2Å; L129-L389 HydrophobicContact CD1-CD1 3.43Å; L129-L389 VanDerWaalsContact CD1-CD1 3.43Å; L129-L389 HydrophobicContact CD1-CG 4.19Å; V230-L389 HydrophobicContact CG1-CD2 3.95Å; V230-L389 HydrophobicContact CG2-CD2 4.16Å; F385-L389 WeakPolarHBondContact O-CB 3.3Å; F385-L389 PolarHBondContact O-N 3.04Å; L389-P393 WeakPolarHBondContact O-CD 3.41Å; L389-P393 WeakPolarHBondContact O-CG 3.31Å; L389-S416 WeakPolarHBondContact O-CA 3.36Å |
| 390 | L | 96.4 | Very high | 91.6 | Very high | 32 Ų | 32 | 25.4 Ų | 25.4 | 17% | 0.168 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -75.5 | -49.9 | 176.5 | -178.8 | 64.6 | 0 | 0 | 0 | 111.4 | L328 G386 L387 V388 S416 L423 | L328-L390 HydrophobicContact CD1-CD1 3.74Å; G386-L390 VanDerWaalsContact O-CB 3.25Å; G386-L390 WeakPolarHBondContact O-CB 3.5Å; G386-L390 PolarHBondContact O-N 3.39Å; L387-L390 PolarHBondContact O-N 3.32Å; V388-L390 VanDerWaalsContact C-N 3.26Å; V388-L390 PolarHBondContact O-N 3.01Å; L390-S416 WeakPolarHBondContact CD1-O 3.2Å; L390-S416 VanDerWaalsContact O-CB 3.28Å; L390-S416 WeakPolarHBondContact O-CB 3.46Å; L390-S416 PolarHBondContact O-OG 3.3Å; L390-L423 HydrophobicContact CD2-CD1 4.21Å |
| 391 | V | 95.5 | Very high | 91.5 | Very high | 66 Ų | 66 | 30.2 Ų | 30.2 | 40% | 0.4 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -87.2 | -46.7 | -168.9 | 177.2 | 0 | 0 | 0 | 0 | 112.3 | L387 F394 L395 | L387-V391 WeakPolarHBondContact O-CB 3.45Å; L387-V391 WeakPolarHBondContact O-CG2 3.5Å; L387-V391 PolarHBondContact O-N 2.75Å; V391-F394 WeakPolarHBondContact O-CA 3.36Å; V391-F394 WeakPolarHBondContact O-CB 3.37Å; V391-F394 PolarHBondContact O-N 3.15Å; V391-L395 HydrophobicContact CG1-CD2 4.33Å; V391-L395 HydrophobicContact CG1-CG 4.48Å; V391-L395 WeakPolarHBondContact O-CG 3.33Å; V391-L395 PolarHBondContact O-N 2.91Å; V391-L395 VanDerWaalsContact O-N 3.15Å |
| 392 | V | 95.7 | Very high | 91.4 | Very high | 31 Ų | 31 | 34 Ų | 34 | 19% | 0.188 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -62.8 | -45.5 | -170.7 | 176.5 | 0 | 0 | 0 | 0 | 112.3 | T226 V230 V388 F394 L395 | T226-V392 WeakPolarHBondContact CG2-O 3.3Å; V230-V392 HydrophobicContact CG2-CB 4.39Å; V230-V392 HydrophobicContact CG2-CG1 4.25Å; V388-V392 HydrophobicContact CG1-CG2 4.07Å; V388-V392 VanDerWaalsContact O-CB 3.24Å; V388-V392 WeakPolarHBondContact O-CB 3.13Å; V388-V392 WeakPolarHBondContact O-CG2 3.43Å; V388-V392 PolarHBondContact O-N 2.88Å; V392-F394 PolarHBondContact O-N 3.44Å; V392-L395 WeakPolarHBondContact O-CB 3.44Å; V392-L395 PolarHBondContact O-N 2.78Å |
| 393 | P | 95.3 | Very high | 91.2 | Very high | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.013 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -68 | -16.9 | 172.8 | -20.8 | 35.3 | 0 | 0 | 0 | 114.4 | F181 Q223 V388 L389 L415 | F181-P393 HydrophobicContact CZ-CG 4.44Å; Q223-P393 VanDerWaalsContact CD-O 3.24Å; Q223-P393 PolarHBondContact NE2-O 3.05Å; Q223-P393 PolarHBondContact OE1-O 3.45Å; V388-P393 WeakPolarHBondContact O-CD 3.32Å; L389-P393 WeakPolarHBondContact O-CD 3.41Å; L389-P393 WeakPolarHBondContact O-CG 3.31Å; P393-L415 HydrophobicContact CB-CB 3.68Å; P393-L415 HydrophobicContact CB-CD1 4.44Å; P393-L415 HydrophobicContact CG-CB 4.24Å |
| 394 | F | 94.1 | Very high | 90.8 | Very high | 32 Ų | 32 | 40.4 Ų | 40.4 | 14% | 0.14 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -84.4 | -22.3 | 177.4 | -171.8 | -114.3 | 0 | 0 | 0 | 112.6 | Y321 N324 V391 V392 A397 C398 V412 L413 S416 | Y321-F394 AromaticContact CD1-CE1 3.76Å; Y321-F394 HydrophobicContact CD1-CE1 3.76Å; Y321-F394 HydrophobicContact CD1-CZ 4.18Å; Y321-F394 HydrophobicContact CE1-CE1 4.25Å; Y321-F394 HydrophobicContact CG-CE1 4.42Å; N324-F394 HydrophobicContact CB-CE2 4.24Å; N324-F394 HydrophobicContact CB-CZ 4.11Å; V391-F394 WeakPolarHBondContact O-CA 3.36Å; V391-F394 WeakPolarHBondContact O-CB 3.37Å; V391-F394 PolarHBondContact O-N 3.15Å; V392-F394 PolarHBondContact O-N 3.44Å; F394-A397 HydrophobicContact CE2-CB 4.46Å; F394-A397 PolarHBondContact O-N 3.24Å; F394-C398 HydrophobicContact CD1-CB 4.09Å; F394-C398 HydrophobicContact CE1-CB 3.93Å; F394-C398 PolarHBondContact O-N 2.74Å; F394-V412 HydrophobicContact CD2-CG1 3.91Å; F394-V412 HydrophobicContact CE2-CG1 3.84Å; F394-L413 HydrophobicContact CD2-CD2 3.97Å; F394-L413 HydrophobicContact CE2-CD2 3.92Å; F394-S416 WeakPolarHBondContact CB-OG 3.34Å; F394-S416 PolarHBondContact N-OG 2.88Å |
| 395 | L | 92.4 | Very high | 90.2 | Very high | 57 Ų | 57 | 39.6 Ų | 39.6 | 30% | 0.298 | 20% | 0.197 | S | C | . | . | G | 310 helix | trans | -53.7 | -41.2 | -173.3 | -74.5 | 176.3 | 0 | 0 | 0 | 114.9 | V391 V392 A397 C398 F401 | V391-L395 HydrophobicContact CG1-CD2 4.33Å; V391-L395 HydrophobicContact CG1-CG 4.48Å; V391-L395 WeakPolarHBondContact O-CG 3.33Å; V391-L395 PolarHBondContact O-N 2.91Å; V391-L395 VanDerWaalsContact O-N 3.15Å; V392-L395 WeakPolarHBondContact O-CB 3.44Å; V392-L395 PolarHBondContact O-N 2.78Å; L395-A397 PolarHBondContact O-N 2.8Å; L395-A397 VanDerWaalsContact O-N 3.15Å; L395-C398 PolarHBondContact O-N 3.14Å; L395-C398 PolarHBondContact O-SG 2.92Å; L395-F401 HydrophobicContact CB-CE2 4.28Å |
| 396 | P | 89.6 | Confident | 89.4 | Confident | 25 Ų | 25 | 44.4 Ų | 44.4 | 16% | 0.162 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -66.4 | -16.3 | 178.3 | -25.5 | 38.7 | 0 | 0 | 0 | 114.1 | T226 F402 | T226-P396 HydrophobicContact CG2-CG 3.61Å; P396-F402 HydrophobicContact CB-CZ 4.34Å; P396-F402 WeakPolarHBondContact O-CE2 3.28Å; P396-F402 VanDerWaalsContact O-CZ 3.32Å; P396-F402 WeakPolarHBondContact O-CZ 3.27Å |
| 397 | A | 88.5 | Confident | 88.4 | Confident | 12 Ų | 12 | 44.9 Ų | 44.9 | 10% | 0.099 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -102.1 | -5.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | F394 L395 N399 V412 | F394-A397 HydrophobicContact CE2-CB 4.46Å; F394-A397 PolarHBondContact O-N 3.24Å; L395-A397 PolarHBondContact O-N 2.8Å; L395-A397 VanDerWaalsContact O-N 3.15Å; A397-N399 VanDerWaalsContact C-N 3.26Å; A397-N399 PolarHBondContact O-N 2.68Å; A397-N399 PolarHBondContact O-ND2 3.03Å; A397-V412 HydrophobicContact CB-CB 4.42Å; A397-V412 HydrophobicContact CB-CG1 3.26Å; A397-V412 HydrophobicContact CB-CG2 4.27Å |
| 398 | C | 88.9 | Confident | 87.9 | Confident | 5 Ų | 5 | 44.2 Ų | 44.2 | 3% | 0.034 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -81.5 | 7.6 | -172.6 | 70.2 | 0 | 0 | 0 | 0 | 114.6 | Y321 F394 L395 I400 | Y321-C398 HydrophobicContact CE1-CB 3.69Å; Y321-C398 WeakPolarHBondContact CE1-O 3.26Å; Y321-C398 PolarHBondContact OH-O 2.97Å; F394-C398 HydrophobicContact CD1-CB 4.09Å; F394-C398 HydrophobicContact CE1-CB 3.93Å; F394-C398 PolarHBondContact O-N 2.74Å; L395-C398 PolarHBondContact O-N 3.14Å; L395-C398 PolarHBondContact O-SG 2.92Å; C398-I400 HydrophobicContact CB-CD1 4.4Å; C398-I400 HydrophobicContact CB-CG1 4.34Å; C398-I400 PolarHBondContact O-N 3.31Å; C398-I400 VanDerWaalsContact SG-CB 3.59Å; C398-I400 WeakPolarHBondContact SG-CD1 3.36Å; C398-I400 WeakPolarHBondContact SG-CG1 3.35Å |
| 399 | N | 88.3 | Confident | 87.3 | Confident | 12 Ų | 12 | 43.6 Ų | 43.6 | 6% | 0.064 | 22% | 0.215 | C | C | . | . | S | Bend | trans | 59.8 | 10.8 | -178.7 | -67.6 | -87.3 | 0 | 0 | 0 | 115.8 | N302 Y317 A397 F402 V404 | N302-N399 PolarHBondContact ND2-OD1 3.02Å; Y317-N399 HydrophobicContact CD1-CB 4.27Å; Y317-N399 HydrophobicContact CD2-CB 3.93Å; Y317-N399 HydrophobicContact CE1-CB 3.99Å; Y317-N399 HydrophobicContact CE2-CB 3.62Å; Y317-N399 HydrophobicContact CG-CB 4.24Å; A397-N399 VanDerWaalsContact C-N 3.26Å; A397-N399 PolarHBondContact O-N 2.68Å; A397-N399 PolarHBondContact O-ND2 3.03Å; N399-F402 WeakPolarHBondContact CA-O 3.27Å; N399-V404 PolarHBondContact OD1-N 3.26Å; N399-V404 PolarHBondContact OD1-O 3.38Å |
| 400 | I | 86.8 | Confident | 86.8 | Confident | 109 Ų | 109 | 43.3 Ų | 43.3 | 56% | 0.559 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -75.5 | -45.3 | 179.1 | -67.7 | 177.2 | 0 | 0 | 0 | 111.3 | C398 | C398-I400 HydrophobicContact CB-CD1 4.4Å; C398-I400 HydrophobicContact CB-CG1 4.34Å; C398-I400 PolarHBondContact O-N 3.31Å; C398-I400 VanDerWaalsContact SG-CB 3.59Å; C398-I400 WeakPolarHBondContact SG-CD1 3.36Å; C398-I400 WeakPolarHBondContact SG-CG1 3.35Å |
| 401 | F | 82.6 | Confident | 86.5 | Confident | 146 Ų | 146 | 43.3 Ų | 43.3 | 64% | 0.64 | 21% | 0.211 | S | C | * | . | S | Bend | trans | -88.5 | -35.7 | -174.9 | -61.9 | -67.6 | 0 | 0 | 0 | 113.3 | L395 | L395-F401 HydrophobicContact CB-CE2 4.28Š|
| 402 | F | 81.8 | Confident | 86.1 | Confident | 111 Ų | 111 | 41.4 Ų | 41.4 | 49% | 0.487 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -154.1 | 157.6 | -178.1 | 45.4 | -93.6 | 0 | 0 | 0 | 109.6 | P396 N399 V404 | P396-F402 HydrophobicContact CB-CZ 4.34Å; P396-F402 WeakPolarHBondContact O-CE2 3.28Å; P396-F402 VanDerWaalsContact O-CZ 3.32Å; P396-F402 WeakPolarHBondContact O-CZ 3.27Å; N399-F402 WeakPolarHBondContact CA-O 3.27Å; F402-V404 HydrophobicContact CD2-CG2 3.66Å; F402-V404 HydrophobicContact CE2-CG2 3.62Å |
| 403 | R | 83.6 | Confident | 86.1 | Confident | 120 Ų | 120 | 40.1 Ų | 40.1 | 45% | 0.453 | 19% | 0.191 | S | C | . | . | trans | -68.2 | 132.7 | 175 | -64.5 | 178.7 | 179.7 | 175.4 | -1.7 | 109.7 | F297 S305 | F297-R403 WeakPolarHBondContact CE2-O 3.33Å; S305-R403 PolarHBondContact O-NE 3.48Å | ||
| 404 | V | 83.6 | Confident | 86.2 | Confident | 19 Ų | 19 | 40 Ų | 40 | 12% | 0.115 | 19% | 0.191 | C | C | . | . | trans | -123.4 | 130.5 | 178.9 | -174.6 | 0 | 0 | 0 | 0 | 108.2 | N302 N399 F402 | N302-V404 PolarHBondContact ND2-O 3.18Å; N399-V404 PolarHBondContact OD1-N 3.26Å; N399-V404 PolarHBondContact OD1-O 3.38Å; F402-V404 HydrophobicContact CD2-CG2 3.66Å; F402-V404 HydrophobicContact CE2-CG2 3.62Å | ||
| 405 | G | 77.3 | Confident | 86.3 | Confident | 5 Ų | 5 | 39.4 Ų | 39.4 | 5% | 0.052 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -72 | -27 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | D301 V407 | D301-G405 CarbonylContact C-O 3.55Å; D301-G405 VanDerWaalsContact C-O 3.31Å; G405-V407 PolarHBondContact O-N 2.93Å |
| 406 | F | 75 | Confident | 86.5 | Confident | 102 Ų | 102 | 36.7 Ų | 36.7 | 45% | 0.447 | 18% | 0.175 | S | C | . | . | trans | -87.1 | 98.5 | -178.6 | -52.3 | -71.2 | 0 | 0 | 0 | 110.9 | A409 | F406-A409 HydrophobicContact CB-CB 4.49Š| ||
| 407 | V | 73.7 | Confident | 86.8 | Confident | 10 Ų | 10 | 35.5 Ų | 35.5 | 6% | 0.061 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -66.9 | -46.4 | -176.8 | 176 | 0 | 0 | 0 | 0 | 112.9 | D301 N302 Y320 N324 G405 | D301-V407 WeakPolarHBondContact O-CG2 3.34Å; N302-V407 HydrophobicContact CB-CG2 3.57Å; N302-V407 VanDerWaalsContact CG-CG2 3.49Å; Y320-V407 HydrophobicContact CD1-CG1 3.32Å; Y320-V407 HydrophobicContact CD2-CG1 3.48Å; Y320-V407 VanDerWaalsContact CD2-CG1 3.48Å; Y320-V407 HydrophobicContact CE1-CG1 3.26Å; Y320-V407 HydrophobicContact CE2-CB 4.31Å; Y320-V407 HydrophobicContact CE2-CG1 3.39Å; Y320-V407 HydrophobicContact CE2-CG2 4.05Å; Y320-V407 HydrophobicContact CG-CG1 3.42Å; Y320-V407 VanDerWaalsContact CG-CG1 3.42Å; N324-V407 PolarHBondContact ND2-O 3.48Å; G405-V407 PolarHBondContact O-N 2.93Å |
| 408 | V | 84.9 | Confident | 87.3 | Confident | 6 Ų | 6 | 35 Ų | 35 | 4% | 0.036 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -139 | 133.4 | 174.5 | 179.5 | 0 | 0 | 0 | 0 | 106.7 | L323 L327 W338 | L323-V408 HydrophobicContact CB-CG2 4.03Å; L323-V408 HydrophobicContact CD1-CG2 4.19Å; L327-V408 HydrophobicContact CD1-CG1 3.34Å; L327-V408 HydrophobicContact CG-CG1 4.38Å; W338-V408 HydrophobicContact CB-CB 4.16Å; W338-V408 HydrophobicContact CD2-CB 3.91Å; W338-V408 HydrophobicContact CD2-CG1 4.03Å; W338-V408 HydrophobicContact CE3-CB 4.43Å; W338-V408 HydrophobicContact CG-CB 3.78Å; W338-V408 HydrophobicContact CG-CG1 4.21Å; W338-V408 HydrophobicContact CZ2-CG1 4.23Å |
| 409 | A | 82.3 | Confident | 87.7 | Confident | 8 Ų | 8 | 34.8 Ų | 34.8 | 7% | 0.066 | 16% | 0.161 | C | C | . | . | trans | -156.5 | 138.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | F406 R411 V412 | F406-A409 HydrophobicContact CB-CB 4.49Å; A409-R411 VanDerWaalsContact C-N 3.31Å; A409-R411 HydrophobicContact CB-CG 4.04Å; A409-R411 PolarHBondContact O-N 3.26Å; A409-V412 HydrophobicContact CB-CB 4.46Å; A409-V412 HydrophobicContact CB-CG2 3.97Å; A409-V412 PolarHBondContact O-N 3.23Å | ||
| 410 | E | 87.6 | Confident | 88.1 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -61.7 | -44.9 | 180 | -51.8 | 177.6 | -147.2 | 0 | 0 | 109.7 | V161 E164 L334 C335 V412 L413 R460 | V161-E410 HydrophobicContact CG2-CB 4.04Å; V161-E410 WeakPolarHBondContact O-CB 3.35Å; E164-E410 HydrophobicContact CB-CB 3.84Å; E164-E410 HydrophobicContact CB-CG 4.46Å; E164-E410 WeakPolarHBondContact OE2-CB 2.99Å; E164-E410 PolarHBondContact OE2-N 3.25Å; L334-E410 WeakPolarHBondContact CB-OE1 3.47Å; L334-E410 HydrophobicContact CD2-CG 3.86Å; C335-E410 PolarHBondContact N-OE1 3.41Å; E410-V412 PolarHBondContact O-N 3.31Å; E410-V412 VanDerWaalsContact O-N 3.08Å; E410-L413 PolarHBondContact O-N 2.89Å; E410-R460 IonicContact OE1-CZ 2.9Å; E410-R460 IonicContact OE1-NE 3.76Å; E410-R460 PolarHBondContact OE1-NE 2.93Å; E410-R460 IonicContact OE1-NH2 3.26Å; E410-R460 PolarHBondContact OE1-NH2 3.23Å |
| 411 | R | 88.5 | Confident | 88.6 | Confident | 32 Ų | 32 | 30.4 Ų | 30.4 | 12% | 0.121 | 14% | 0.137 | C | C | . | . | G | 310 helix | trans | -57.9 | -23.9 | 178.4 | 64.6 | 177.1 | 178.5 | -151.7 | 5.1 | 115.5 | D45 E164 A409 L413 | D45-R411 IonicContact OD2-NH1 3.97Å; D45-R411 PolarHBondContact OD2-NH1 3.48Å; E164-R411 HydrophobicContact CG-CB 4.27Å; E164-R411 VanDerWaalsContact OE1-CD 3.23Å; E164-R411 WeakPolarHBondContact OE1-CD 3.22Å; E164-R411 WeakPolarHBondContact OE1-CG 3.45Å; E164-R411 IonicContact OE1-CZ 3.95Å; E164-R411 IonicContact OE1-NE 2.68Å; E164-R411 IonicContact OE1-NH1 2.79Å; E164-R411 PolarHBondContact OE2-N 2.85Å; A409-R411 VanDerWaalsContact C-N 3.31Å; A409-R411 HydrophobicContact CB-CG 4.04Å; A409-R411 PolarHBondContact O-N 3.26Å; R411-L413 VanDerWaalsContact C-N 3.31Å |
| 412 | V | 88.2 | Confident | 89.2 | Confident | 26 Ų | 26 | 23.4 Ų | 23.4 | 16% | 0.158 | 11% | 0.107 | C | C | . | . | G | 310 helix | trans | -74.4 | -27.5 | 177.8 | 168.1 | 0 | 0 | 0 | 0 | 111.2 | F394 A397 A409 E410 | F394-V412 HydrophobicContact CD2-CG1 3.91Å; F394-V412 HydrophobicContact CE2-CG1 3.84Å; A397-V412 HydrophobicContact CB-CB 4.42Å; A397-V412 HydrophobicContact CB-CG1 3.26Å; A397-V412 HydrophobicContact CB-CG2 4.27Å; A409-V412 HydrophobicContact CB-CB 4.46Å; A409-V412 HydrophobicContact CB-CG2 3.97Å; A409-V412 PolarHBondContact O-N 3.23Å; E410-V412 PolarHBondContact O-N 3.31Å; E410-V412 VanDerWaalsContact O-N 3.08Å |
| 413 | L | 95.1 | Very high | 89.8 | Confident | 3 Ų | 3 | 18.9 Ų | 18.9 | 2% | 0.016 | 9% | 0.087 | C | C | . | . | S | Bend | trans | -91.5 | -2.7 | -173.1 | -61.9 | 174.9 | 0 | 0 | 0 | 113.5 | V161 N324 L327 L328 F394 E410 R411 L415 S416 S417 | V161-L413 HydrophobicContact CG1-CB 4.42Å; V161-L413 HydrophobicContact CG2-CB 3.82Å; V161-L413 HydrophobicContact CG2-CD1 3.86Å; V161-L413 HydrophobicContact CG2-CG 4.43Å; N324-L413 HydrophobicContact CB-CD1 4.29Å; N324-L413 HydrophobicContact CB-CD2 4.06Å; L327-L413 HydrophobicContact CB-CD1 3.94Å; L327-L413 HydrophobicContact CD1-CD1 4.24Å; L328-L413 HydrophobicContact CD2-CB 4.26Å; L328-L413 HydrophobicContact CD2-CD1 4.49Å; L328-L413 HydrophobicContact CG-CD1 4.34Å; F394-L413 HydrophobicContact CD2-CD2 3.97Å; F394-L413 HydrophobicContact CE2-CD2 3.92Å; E410-L413 PolarHBondContact O-N 2.89Å; R411-L413 VanDerWaalsContact C-N 3.31Å; L413-L415 PolarHBondContact O-N 3.47Å; L413-S416 PolarHBondContact O-N 3.32Å; L413-S417 VanDerWaalsContact O-CB 3.27Å; L413-S417 WeakPolarHBondContact O-CB 3.27Å; L413-S417 PolarHBondContact O-N 2.98Å; L413-S417 PolarHBondContact O-OG 3.35Å |
| 414 | Y | 96.9 | Very high | 90.4 | Very high | 1 Ų | 1 | 14.5 Ų | 14.5 | 0% | 0.004 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -55.1 | -175.6 | -170.9 | -88 | 0 | 0 | 0 | 112.5 | H115 I118 F156 H162 L175 A178 S417 | H115-Y414 AromaticContact ND1-CE2 3.78Å; H115-Y414 AromaticContact ND1-CZ 3.7Å; H115-Y414 PolarHBondContact ND1-OH 3.25Å; I118-Y414 HydrophobicContact CG2-CE1 4.17Å; F156-Y414 WeakPolarHBondContact CE2-O 3.32Å; F156-Y414 HydrophobicContact CZ-CD1 4.47Å; F156-Y414 AromaticContact CZ-CE1 3.93Å; F156-Y414 HydrophobicContact CZ-CE1 3.93Å; H162-Y414 HydrophobicContact CB-CD2 3.98Å; H162-Y414 HydrophobicContact CB-CE2 3.85Å; H162-Y414 AromaticContact CD2-CD2 3.42Å; H162-Y414 VanDerWaalsContact CD2-CD2 3.42Å; H162-Y414 WeakPolarHBondContact CD2-CD2 3.36Å; H162-Y414 AromaticContact CD2-CE2 3.79Å; H162-Y414 AromaticContact CG-CD2 3.66Å; H162-Y414 AromaticContact CG-CE2 3.59Å; H162-Y414 AromaticContact ND1-CE2 3.9Å; L175-Y414 HydrophobicContact CD2-CE1 4.27Å; L175-Y414 HydrophobicContact CD2-CE2 3.67Å; L175-Y414 VanDerWaalsContact CD2-OH 3.29Å; L175-Y414 WeakPolarHBondContact CD2-OH 3.35Å; A178-Y414 HydrophobicContact CB-CD1 3.86Å; A178-Y414 HydrophobicContact CB-CE1 3.53Å; Y414-S417 PolarHBondContact O-OG 3.03Å |
| 415 | L | 96.1 | Very high | 90.8 | Very high | 18 Ų | 18 | 13.6 Ų | 13.6 | 9% | 0.094 | 7% | 0.067 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -44 | 177.1 | -80.2 | 171.7 | 0 | 0 | 0 | 112.7 | A178 F181 P393 L413 S417 A418 | A178-L415 HydrophobicContact CB-CD2 3.76Å; A178-L415 HydrophobicContact CB-CG 4.25Å; F181-L415 HydrophobicContact CD1-CD2 4.02Å; F181-L415 HydrophobicContact CD2-CD1 3.93Å; F181-L415 HydrophobicContact CD2-CD2 4.5Å; F181-L415 HydrophobicContact CE1-CD2 4.38Å; F181-L415 HydrophobicContact CE2-CD1 4.27Å; F181-L415 HydrophobicContact CG-CD1 4.27Å; F181-L415 HydrophobicContact CG-CD2 4.11Å; P393-L415 HydrophobicContact CB-CB 3.68Å; P393-L415 HydrophobicContact CB-CD1 4.44Å; P393-L415 HydrophobicContact CG-CB 4.24Å; L413-L415 PolarHBondContact O-N 3.47Å; L415-S417 PolarHBondContact O-N 3.31Å; L415-A418 VanDerWaalsContact O-CB 3.25Å; L415-A418 WeakPolarHBondContact O-CB 3.37Å; L415-A418 PolarHBondContact O-N 3Å |
| 416 | S | 96.6 | Very high | 91.5 | Very high | 1 Ų | 1 | 13.9 Ų | 13.9 | 1% | 0.007 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -61.3 | -29.6 | -179.4 | -70.1 | 0 | 0 | 0 | 0 | 113.7 | L389 L390 F394 L413 A418 G419 Y420 | L389-S416 WeakPolarHBondContact O-CA 3.36Å; L390-S416 WeakPolarHBondContact CD1-O 3.2Å; L390-S416 VanDerWaalsContact O-CB 3.28Å; L390-S416 WeakPolarHBondContact O-CB 3.46Å; L390-S416 PolarHBondContact O-OG 3.3Å; F394-S416 WeakPolarHBondContact CB-OG 3.34Å; F394-S416 PolarHBondContact N-OG 2.88Å; L413-S416 PolarHBondContact O-N 3.32Å; S416-A418 PolarHBondContact O-N 3.39Å; S416-G419 PolarHBondContact O-N 2.84Å; S416-G419 VanDerWaalsContact O-N 3.1Å; S416-Y420 PolarHBondContact O-N 3.38Å |
| 417 | S | 97.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -61.2 | -23.9 | 175.4 | 73.1 | 0 | 0 | 0 | 0 | 112.8 | F156 H162 L413 Y414 L415 G419 Y420 C421 | F156-S417 WeakPolarHBondContact CE2-OG 3.49Å; H162-S417 PolarHBondContact NE2-OG 2.96Å; L413-S417 VanDerWaalsContact O-CB 3.27Å; L413-S417 WeakPolarHBondContact O-CB 3.27Å; L413-S417 PolarHBondContact O-N 2.98Å; L413-S417 PolarHBondContact O-OG 3.35Å; Y414-S417 PolarHBondContact O-OG 3.03Å; L415-S417 PolarHBondContact O-N 3.31Å; S417-G419 VanDerWaalsContact C-N 3.34Å; S417-Y420 PolarHBondContact O-N 2.99Å; S417-C421 WeakPolarHBondContact O-CB 3.44Å; S417-C421 PolarHBondContact O-N 3.44Å; S417-C421 PolarHBondContact O-SG 2.88Å |
| 418 | A | 97.5 | Very high | 93 | Very high | 1 Ų | 1 | 13.3 Ų | 13.3 | 1% | 0.008 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -63.2 | -41.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | M122 F126 F156 L415 S416 C421 L422 | M122-A418 HydrophobicContact CE-CB 3.66Å; M122-A418 HydrophobicContact SD-CB 4.29Å; F126-A418 HydrophobicContact CE1-CB 4.19Å; F126-A418 WeakPolarHBondContact CE1-O 3.45Å; F126-A418 HydrophobicContact CZ-CB 4.01Å; F126-A418 WeakPolarHBondContact CZ-O 3.23Å; F156-A418 HydrophobicContact CD2-CB 3.95Å; F156-A418 HydrophobicContact CE2-CB 3.88Å; L415-A418 VanDerWaalsContact O-CB 3.25Å; L415-A418 WeakPolarHBondContact O-CB 3.37Å; L415-A418 PolarHBondContact O-N 3Å; S416-A418 PolarHBondContact O-N 3.39Å; A418-C421 PolarHBondContact O-N 3.45Å; A418-L422 WeakPolarHBondContact O-CB 3.46Å; A418-L422 PolarHBondContact O-N 2.8Å |
| 419 | G | 97 | Very high | 93.1 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -63.6 | -43.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | G386 S416 S417 L422 L423 | G386-G419 VanDerWaalsContact O-CA 3.24Å; G386-G419 WeakPolarHBondContact O-CA 3.11Å; S416-G419 PolarHBondContact O-N 2.84Å; S416-G419 VanDerWaalsContact O-N 3.1Å; S417-G419 VanDerWaalsContact C-N 3.34Å; G419-L422 PolarHBondContact O-N 3.37Å; G419-L423 VanDerWaalsContact O-CG 3.3Å; G419-L423 WeakPolarHBondContact O-CG 3.41Å; G419-L423 PolarHBondContact O-N 3.37Å |
| 420 | Y | 97.1 | Very high | 93.3 | Very high | 29 Ų | 29 | 15 Ų | 15 | 11% | 0.114 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -59.6 | -48.5 | 174.1 | 169.1 | -99.3 | 0 | 0 | 0 | 112.5 | H159 L328 L329 S416 S417 L422 L423 L424 Y453 | H159-Y420 AromaticContact CD2-CE1 3.93Å; H159-Y420 AromaticContact NE2-CD1 3.74Å; H159-Y420 AromaticContact NE2-CE1 3.54Å; L328-Y420 HydrophobicContact CB-CD1 4.35Å; L328-Y420 HydrophobicContact CB-CD2 4.09Å; L328-Y420 HydrophobicContact CB-CE2 4.42Å; L328-Y420 HydrophobicContact CB-CG 4.06Å; L328-Y420 WeakPolarHBondContact O-CE1 3.24Å; L328-Y420 VanDerWaalsContact O-CZ 3.23Å; L328-Y420 PolarHBondContact O-OH 3.28Å; L329-Y420 HydrophobicContact CD2-CE2 3.74Å; L329-Y420 HydrophobicContact CG-CE2 4.33Å; S416-Y420 PolarHBondContact O-N 3.38Å; S417-Y420 PolarHBondContact O-N 2.99Å; Y420-L422 VanDerWaalsContact C-N 3.28Å; Y420-L422 PolarHBondContact O-N 2.82Å; Y420-L423 PolarHBondContact O-N 3.26Å; Y420-L424 HydrophobicContact CE1-CD2 4.02Å; Y420-L424 WeakPolarHBondContact O-CB 3.29Å; Y420-L424 PolarHBondContact O-N 2.86Å; Y420-Y453 PolarHBondContact OH-OH 3.24Å |
| 421 | C | 97.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -62.7 | -36.6 | -179.2 | -66.8 | 0 | 0 | 0 | 0 | 111.9 | F155 F156 S417 A418 A425 | F155-C421 HydrophobicContact CB-CB 4.1Å; F156-C421 HydrophobicContact CB-CB 4.33Å; F156-C421 PolarHBondContact N-SG 2.95Å; S417-C421 WeakPolarHBondContact O-CB 3.44Å; S417-C421 PolarHBondContact O-N 3.44Å; S417-C421 PolarHBondContact O-SG 2.88Å; A418-C421 PolarHBondContact O-N 3.45Å; C421-A425 WeakPolarHBondContact O-CB 3.37Å; C421-A425 PolarHBondContact O-N 3.37Å |
| 422 | L | 95.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -64.9 | -46.9 | 173.7 | -179.4 | 58.9 | 0 | 0 | 0 | 111.9 | F126 I130 T382 A418 G419 Y420 L424 A425 Y426 | F126-L422 HydrophobicContact CD1-CB 4.21Å; F126-L422 HydrophobicContact CD1-CD1 4.19Å; F126-L422 HydrophobicContact CD1-CD2 4.24Å; F126-L422 HydrophobicContact CD1-CG 4.45Å; F126-L422 HydrophobicContact CE1-CB 4.01Å; I130-L422 HydrophobicContact CD1-CD1 3.59Å; I130-L422 HydrophobicContact CG1-CD1 3.75Å; T382-L422 HydrophobicContact CG2-CD1 4.3Å; T382-L422 HydrophobicContact CG2-CG 4.4Å; A418-L422 WeakPolarHBondContact O-CB 3.46Å; A418-L422 PolarHBondContact O-N 2.8Å; G419-L422 PolarHBondContact O-N 3.37Å; Y420-L422 VanDerWaalsContact C-N 3.28Å; Y420-L422 PolarHBondContact O-N 2.82Å; L422-L424 VanDerWaalsContact C-N 3.33Å; L422-L424 PolarHBondContact O-N 3.45Å; L422-A425 PolarHBondContact O-N 3.13Å; L422-Y426 WeakPolarHBondContact O-CB 3.26Å; L422-Y426 PolarHBondContact O-N 3.27Å |
| 423 | L | 95.4 | Very high | 93 | Very high | 15 Ų | 15 | 18.8 Ų | 18.8 | 8% | 0.079 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -63.7 | -38.4 | 177 | -68.3 | 173 | 0 | 0 | 0 | 112 | L383 L387 L390 G419 Y420 S427 | L383-L423 HydrophobicContact CD2-CD2 3.67Å; L387-L423 HydrophobicContact CD2-CD1 4.38Å; L390-L423 HydrophobicContact CD2-CD1 4.21Å; G419-L423 VanDerWaalsContact O-CG 3.3Å; G419-L423 WeakPolarHBondContact O-CG 3.41Å; G419-L423 PolarHBondContact O-N 3.37Å; Y420-L423 PolarHBondContact O-N 3.26Å; L423-S427 WeakPolarHBondContact O-CB 3.46Å; L423-S427 PolarHBondContact O-N 3.31Å; L423-S427 PolarHBondContact O-OG 3.21Å |
| 424 | L | 94.8 | Very high | 92.6 | Very high | 29 Ų | 29 | 28.2 Ų | 28.2 | 15% | 0.152 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -65.1 | -49.7 | 176.2 | 178.6 | 62.3 | 0 | 0 | 0 | 111.1 | F155 Y420 L422 Y426 S427 L428 | F155-L424 HydrophobicContact CD1-CD2 4.02Å; F155-L424 HydrophobicContact CD2-CD2 4.07Å; F155-L424 HydrophobicContact CD2-CG 4.46Å; F155-L424 HydrophobicContact CE1-CD2 4.05Å; F155-L424 HydrophobicContact CE2-CD2 4.08Å; F155-L424 HydrophobicContact CE2-CG 4.3Å; F155-L424 HydrophobicContact CG-CD2 4.03Å; F155-L424 HydrophobicContact CZ-CD2 4.06Å; Y420-L424 HydrophobicContact CE1-CD2 4.02Å; Y420-L424 WeakPolarHBondContact O-CB 3.29Å; Y420-L424 PolarHBondContact O-N 2.86Å; L422-L424 VanDerWaalsContact C-N 3.33Å; L422-L424 PolarHBondContact O-N 3.45Å; L424-Y426 VanDerWaalsContact C-N 3.32Å; L424-Y426 PolarHBondContact O-N 3.4Å; L424-S427 PolarHBondContact O-N 3.08Å; L424-L428 HydrophobicContact CD1-CD1 3.91Å; L424-L428 HydrophobicContact CD1-CG 4.17Å; L424-L428 HydrophobicContact CG-CD1 3.88Å; L424-L428 WeakPolarHBondContact O-CB 3.22Å; L424-L428 VanDerWaalsContact O-CG 3.32Å; L424-L428 WeakPolarHBondContact O-CG 3.29Å; L424-L428 PolarHBondContact O-N 2.88Å |
| 425 | A | 92.8 | Very high | 92 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.7 | -43.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | T148 L151 A152 C421 L422 G429 | T148-A425 HydrophobicContact CG2-CB 4.12Å; L151-A425 HydrophobicContact CB-CB 4.27Å; L151-A425 HydrophobicContact CD2-CB 4.17Å; L151-A425 HydrophobicContact CG-CB 4.11Å; A152-A425 HydrophobicContact CB-CB 3.77Å; C421-A425 WeakPolarHBondContact O-CB 3.37Å; C421-A425 PolarHBondContact O-N 3.37Å; L422-A425 PolarHBondContact O-N 3.13Å; A425-G429 PolarHBondContact O-N 2.92Å |
| 426 | Y | 91.1 | Very high | 91.3 | Very high | 11 Ų | 11 | 38.2 Ų | 38.2 | 4% | 0.043 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.5 | -49 | 173.8 | 170.9 | -97.7 | 0 | 0 | 0 | 111.9 | W8 R379 T382 L383 L422 L424 L428 G429 Q430 | W8-Y426 HydrophobicContact CD2-CE2 4.4Å; W8-Y426 AromaticContact CE2-CE2 3.97Å; W8-Y426 AromaticContact CH2-CE2 3.95Å; W8-Y426 HydrophobicContact CH2-CE2 3.95Å; W8-Y426 AromaticContact CZ2-CD2 3.91Å; W8-Y426 HydrophobicContact CZ2-CD2 3.91Å; W8-Y426 AromaticContact CZ2-CE2 3.74Å; W8-Y426 HydrophobicContact CZ2-CE2 3.74Å; W8-Y426 HydrophobicContact CZ3-CE2 4.42Å; R379-Y426 WeakPolarHBondContact CD-OH 3.31Å; R379-Y426 WeakPolarHBondContact CG-OH 3.5Å; R379-Y426 PolarHBondContact NE-OH 2.91Å; T382-Y426 HydrophobicContact CG2-CD2 3.85Å; T382-Y426 HydrophobicContact CG2-CG 4.01Å; L383-Y426 HydrophobicContact CD2-CD1 3.8Å; L383-Y426 HydrophobicContact CD2-CE1 3.8Å; L383-Y426 HydrophobicContact CG-CE1 4.19Å; L422-Y426 WeakPolarHBondContact O-CB 3.26Å; L422-Y426 PolarHBondContact O-N 3.27Å; L424-Y426 VanDerWaalsContact C-N 3.32Å; L424-Y426 PolarHBondContact O-N 3.4Å; Y426-L428 VanDerWaalsContact C-N 3.33Å; Y426-L428 PolarHBondContact O-N 3.09Å; Y426-G429 PolarHBondContact O-N 3.11Å; Y426-Q430 HydrophobicContact CD1-CG 4.45Å; Y426-Q430 HydrophobicContact CD2-CG 4.39Å; Y426-Q430 HydrophobicContact CE1-CG 3.89Å; Y426-Q430 HydrophobicContact CE2-CG 3.84Å; Y426-Q430 WeakPolarHBondContact O-CG 3.27Å; Y426-Q430 PolarHBondContact O-N 2.94Å; Y426-Q430 PolarHBondContact OH-NE2 3.47Å |
| 427 | S | 90.3 | Very high | 90.9 | Very high | 56 Ų | 56 | 46.8 Ų | 46.8 | 39% | 0.392 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -61.4 | -41.6 | -178.9 | -58.8 | 0 | 0 | 0 | 0 | 111.7 | L423 L424 Q430 C431 | L423-S427 WeakPolarHBondContact O-CB 3.46Å; L423-S427 PolarHBondContact O-N 3.31Å; L423-S427 PolarHBondContact O-OG 3.21Å; L424-S427 PolarHBondContact O-N 3.08Å; S427-Q430 PolarHBondContact O-N 3.08Å; S427-C431 PolarHBondContact O-N 2.85Å; S427-C431 PolarHBondContact O-SG 3.04Å; S427-C431 VanDerWaalsContact O-SG 3.34Å |
| 428 | L | 89.6 | Confident | 90.3 | Very high | 43 Ų | 43 | 53 Ų | 53 | 23% | 0.225 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.5 | -39.9 | 175.8 | -71 | 168.4 | 0 | 0 | 0 | 112.4 | F155 L424 Y426 Q430 C431 C432 L446 | F155-L428 HydrophobicContact CE2-CD1 3.57Å; F155-L428 HydrophobicContact CZ-CD1 3.75Å; L424-L428 HydrophobicContact CD1-CD1 3.91Å; L424-L428 HydrophobicContact CD1-CG 4.17Å; L424-L428 HydrophobicContact CG-CD1 3.88Å; L424-L428 WeakPolarHBondContact O-CB 3.22Å; L424-L428 VanDerWaalsContact O-CG 3.32Å; L424-L428 WeakPolarHBondContact O-CG 3.29Å; L424-L428 PolarHBondContact O-N 2.88Å; Y426-L428 VanDerWaalsContact C-N 3.33Å; Y426-L428 PolarHBondContact O-N 3.09Å; L428-Q430 VanDerWaalsContact C-N 3.33Å; L428-Q430 PolarHBondContact O-N 3.48Å; L428-C431 PolarHBondContact O-N 3.45Å; L428-C432 WeakPolarHBondContact O-CB 3.45Å; L428-C432 PolarHBondContact O-N 2.97Å; L428-C432 PolarHBondContact O-SG 2.95Å; L428-L446 HydrophobicContact CD1-CD1 3.77Å |
| 429 | G | 87.6 | Confident | 89.6 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.7 | -45.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | A425 Y426 C432 Y433 | A425-G429 PolarHBondContact O-N 2.92Å; Y426-G429 PolarHBondContact O-N 3.11Å; G429-C432 PolarHBondContact O-N 3.46Å; G429-Y433 WeakPolarHBondContact O-CB 3.47Å; G429-Y433 PolarHBondContact O-N 3.3Å |
| 430 | Q | 86.4 | Confident | 89.1 | Confident | 49 Ų | 49 | 65.7 Ų | 65.7 | 23% | 0.229 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.1 | -39.9 | 176.1 | -69.7 | -62.4 | -21.9 | 0 | 0 | 113.1 | Y426 S427 L428 Y433 R434 | Y426-Q430 HydrophobicContact CD1-CG 4.45Å; Y426-Q430 HydrophobicContact CD2-CG 4.39Å; Y426-Q430 HydrophobicContact CE1-CG 3.89Å; Y426-Q430 HydrophobicContact CE2-CG 3.84Å; Y426-Q430 WeakPolarHBondContact O-CG 3.27Å; Y426-Q430 PolarHBondContact O-N 2.94Å; Y426-Q430 PolarHBondContact OH-NE2 3.47Å; S427-Q430 PolarHBondContact O-N 3.08Å; L428-Q430 VanDerWaalsContact C-N 3.33Å; L428-Q430 PolarHBondContact O-N 3.48Å; Q430-Y433 PolarHBondContact O-N 3.22Å; Q430-R434 WeakPolarHBondContact O-CB 3.48Å; Q430-R434 PolarHBondContact O-N 2.67Å |
| 431 | C | 87.3 | Confident | 88.7 | Confident | 45 Ų | 45 | 69 Ų | 69 | 30% | 0.304 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.5 | -43.1 | 173 | -73.8 | 0 | 0 | 0 | 0 | 111.7 | S427 L428 Y433 R434 W435 | S427-C431 PolarHBondContact O-N 2.85Å; S427-C431 PolarHBondContact O-SG 3.04Å; S427-C431 VanDerWaalsContact O-SG 3.34Å; L428-C431 PolarHBondContact O-N 3.45Å; C431-Y433 VanDerWaalsContact C-N 3.3Å; C431-Y433 PolarHBondContact O-N 3.33Å; C431-R434 PolarHBondContact O-N 3.48Å; C431-W435 HydrophobicContact CB-CE3 4.13Å; C431-W435 HydrophobicContact CB-CZ3 4.24Å; C431-W435 WeakPolarHBondContact O-CB 3.34Å; C431-W435 PolarHBondContact O-N 3.37Å |
| 432 | C | 86.5 | Confident | 88.2 | Confident | 8 Ų | 8 | 69.6 Ų | 69.6 | 5% | 0.054 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.7 | -35.5 | 176.9 | -67.7 | 0 | 0 | 0 | 0 | 112.3 | L428 G429 T442 | L428-C432 WeakPolarHBondContact O-CB 3.45Å; L428-C432 PolarHBondContact O-N 2.97Å; L428-C432 PolarHBondContact O-SG 2.95Å; G429-C432 PolarHBondContact O-N 3.46Å; C432-T442 PolarHBondContact SG-OG1 3.39Å |
| 433 | Y | 84.8 | Confident | 87.9 | Confident | 85 Ų | 85 | 71.1 Ų | 71.1 | 33% | 0.333 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -69.4 | -44.4 | 174.3 | 171.2 | -113.3 | 0 | 0 | 0 | 112.7 | Y7 H11 G429 Q430 C431 I436 | Y7-Y433 HydrophobicContact CD1-CE2 4.18Å; Y7-Y433 HydrophobicContact CE1-CD2 4.33Å; Y7-Y433 AromaticContact CE1-CE2 3.47Å; Y7-Y433 HydrophobicContact CE1-CE2 3.47Å; Y7-Y433 VanDerWaalsContact CE1-CE2 3.47Å; Y7-Y433 AromaticContact CE1-CZ 3.66Å; H11-Y433 AromaticContact CD2-CD2 3.6Å; H11-Y433 AromaticContact CE1-CD2 3.93Å; H11-Y433 AromaticContact NE2-CD2 3.54Å; H11-Y433 AromaticContact NE2-CE2 3.99Å; G429-Y433 WeakPolarHBondContact O-CB 3.47Å; G429-Y433 PolarHBondContact O-N 3.3Å; Q430-Y433 PolarHBondContact O-N 3.22Å; C431-Y433 VanDerWaalsContact C-N 3.3Å; C431-Y433 PolarHBondContact O-N 3.33Å; Y433-I436 WeakPolarHBondContact O-CD1 3.23Å; Y433-I436 VanDerWaalsContact O-CG1 3.22Å; Y433-I436 WeakPolarHBondContact O-CG1 3.14Å |
| 434 | R | 86 | Confident | 87.7 | Confident | 202 Ų | 202 | 74.9 Ų | 74.9 | 76% | 0.762 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -78.4 | -27.4 | -176.4 | -173.9 | 161.6 | 147.4 | 108.8 | -6.2 | 113.3 | Q430 C431 | Q430-R434 WeakPolarHBondContact O-CB 3.48Å; Q430-R434 PolarHBondContact O-N 2.67Å; C431-R434 PolarHBondContact O-N 3.48Å |
| 435 | W | 85.3 | Confident | 87.6 | Confident | 132 Ų | 132 | 78.2 Ų | 78.2 | 50% | 0.5 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.1 | 49.3 | -178.9 | -60 | -30.9 | 0 | 0 | 0 | 112.3 | C431 K437 Y438 K439 | C431-W435 HydrophobicContact CB-CE3 4.13Å; C431-W435 HydrophobicContact CB-CZ3 4.24Å; C431-W435 WeakPolarHBondContact O-CB 3.34Å; C431-W435 PolarHBondContact O-N 3.37Å; W435-K437 PolarHBondContact O-N 2.85Å; W435-K437 VanDerWaalsContact O-N 3.12Å; W435-Y438 HydrophobicContact CB-CD2 4.31Å; W435-Y438 CarbonylContact O-C 3.4Å; W435-Y438 WeakPolarHBondContact O-CA 3.49Å; W435-Y438 PolarHBondContact O-N 2.63Å; W435-K439 PolarHBondContact O-N 3.23Å |
| 436 | I | 81.8 | Confident | 87.5 | Confident | 96 Ų | 96 | 78.9 Ų | 78.9 | 49% | 0.492 | 37% | 0.369 | S | S | . | . | G | 310 helix | trans | -51.9 | -38.1 | -179.2 | -71.6 | 156.3 | 0 | 0 | 0 | 112.5 | Y433 Y438 K439 | Y433-I436 WeakPolarHBondContact O-CD1 3.23Å; Y433-I436 VanDerWaalsContact O-CG1 3.22Å; Y433-I436 WeakPolarHBondContact O-CG1 3.14Å; I436-Y438 PolarHBondContact O-N 3.31Å; I436-K439 VanDerWaalsContact O-CB 3.26Å; I436-K439 WeakPolarHBondContact O-CB 3.22Å; I436-K439 PolarHBondContact O-N 3.28Å; I436-K439 VanDerWaalsContact O-N 3.12Å |
| 437 | K | 86.4 | Confident | 87.6 | Confident | 181 Ų | 181 | 82.9 Ų | 82.9 | 79% | 0.787 | 39% | 0.39 | S | S | * | . | G | 310 helix | trans | -57.4 | -31.2 | 176.7 | -173.4 | 177.1 | 178.8 | -178.9 | 0 | 112.9 | W435 | W435-K437 PolarHBondContact O-N 2.85Å; W435-K437 VanDerWaalsContact O-N 3.12Å |
| 438 | Y | 85.6 | Confident | 87.9 | Confident | 131 Ų | 131 | 83 Ų | 83 | 51% | 0.514 | 40% | 0.395 | S | S | . | . | G | 310 helix | trans | -103.7 | 17.9 | -178 | -57.9 | -70.9 | 0 | 0 | 0 | 113 | W435 I436 K440 L441 T442 | W435-Y438 HydrophobicContact CB-CD2 4.31Å; W435-Y438 CarbonylContact O-C 3.4Å; W435-Y438 WeakPolarHBondContact O-CA 3.49Å; W435-Y438 PolarHBondContact O-N 2.63Å; I436-Y438 PolarHBondContact O-N 3.31Å; Y438-K440 PolarHBondContact O-N 2.94Å; Y438-K440 VanDerWaalsContact O-N 3.13Å; Y438-L441 WeakPolarHBondContact O-CA 3.23Å; Y438-L441 WeakPolarHBondContact O-CB 3.38Å; Y438-L441 PolarHBondContact O-N 2.87Å; Y438-T442 PolarHBondContact O-N 3.44Å |
| 439 | K | 82.9 | Confident | 88.1 | Confident | 83 Ų | 83 | 83 Ų | 83 | 36% | 0.361 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -54 | -35.2 | -176.6 | -173.5 | 179.3 | -176.8 | -179.9 | 0 | 114.2 | H11 W435 I436 T442 C443 | H11-K439 WeakPolarHBondContact O-CE 3.26Å; W435-K439 PolarHBondContact O-N 3.23Å; I436-K439 VanDerWaalsContact O-CB 3.26Å; I436-K439 WeakPolarHBondContact O-CB 3.22Å; I436-K439 PolarHBondContact O-N 3.28Å; I436-K439 VanDerWaalsContact O-N 3.12Å; K439-T442 WeakPolarHBondContact CA-OG1 3.31Å; K439-T442 PolarHBondContact O-OG1 3.15Å; K439-C443 WeakPolarHBondContact O-CB 3.34Å; K439-C443 PolarHBondContact O-N 2.94Å |
| 440 | K | 87 | Confident | 88.4 | Confident | 184 Ų | 184 | 84.8 Ų | 84.8 | 80% | 0.8 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -65.7 | -45 | 174.8 | -71.5 | -174 | 179.5 | -179 | 0 | 111.4 | Y438 C443 V444 | Y438-K440 PolarHBondContact O-N 2.94Å; Y438-K440 VanDerWaalsContact O-N 3.13Å; K440-C443 PolarHBondContact O-N 3.41Å; K440-V444 WeakPolarHBondContact O-CG2 3.35Å; K440-V444 PolarHBondContact O-N 3.26Å |
| 441 | L | 89.3 | Confident | 88.9 | Confident | 98 Ų | 98 | 86.1 Ų | 86.1 | 51% | 0.513 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64.1 | -43.4 | 177.7 | -179 | 63 | 0 | 0 | 0 | 111.1 | Y438 C443 V444 M445 | Y438-L441 WeakPolarHBondContact O-CA 3.23Å; Y438-L441 WeakPolarHBondContact O-CB 3.38Å; Y438-L441 PolarHBondContact O-N 2.87Å; L441-C443 VanDerWaalsContact C-N 3.32Å; L441-C443 PolarHBondContact O-N 3.17Å; L441-V444 PolarHBondContact O-N 3.31Å; L441-M445 HydrophobicContact CD1-CG 4.5Å; L441-M445 HydrophobicContact CG-CE 4.17Å; L441-M445 HydrophobicContact CG-SD 4.47Å; L441-M445 WeakPolarHBondContact O-CG 3.32Å; L441-M445 PolarHBondContact O-N 3.19Å |
| 442 | T | 86.5 | Confident | 89.3 | Confident | 13 Ų | 13 | 88 Ų | 88 | 8% | 0.08 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -64 | -36.6 | 176.4 | 60.2 | 0 | 0 | 0 | 0 | 112.4 | C432 Y438 K439 M445 L446 | C432-T442 PolarHBondContact SG-OG1 3.39Å; Y438-T442 PolarHBondContact O-N 3.44Å; K439-T442 WeakPolarHBondContact CA-OG1 3.31Å; K439-T442 PolarHBondContact O-OG1 3.15Å; T442-M445 HydrophobicContact CG2-CE 4.07Å; T442-M445 PolarHBondContact O-N 2.87Å; T442-L446 VanDerWaalsContact O-CB 3.29Å; T442-L446 WeakPolarHBondContact O-CB 3.44Å; T442-L446 PolarHBondContact O-N 2.94Å |
| 443 | C | 88.6 | Confident | 89.8 | Confident | 33 Ų | 33 | 87.8 Ų | 87.8 | 22% | 0.223 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -65 | -43.7 | 173 | -176 | 0 | 0 | 0 | 0 | 112.3 | P13 K439 K440 L441 L446 L447 | P13-C443 HydrophobicContact CB-CB 3.87Å; P13-C443 HydrophobicContact CG-CB 3.91Å; K439-C443 WeakPolarHBondContact O-CB 3.34Å; K439-C443 PolarHBondContact O-N 2.94Å; K440-C443 PolarHBondContact O-N 3.41Å; L441-C443 VanDerWaalsContact C-N 3.32Å; L441-C443 PolarHBondContact O-N 3.17Å; C443-L446 WeakPolarHBondContact O-CB 3.47Å; C443-L446 PolarHBondContact O-N 3.34Å; C443-L447 WeakPolarHBondContact O-CG 3.42Å; C443-L447 PolarHBondContact O-N 3.2Å |
| 444 | V | 91.6 | Very high | 90.4 | Very high | 93 Ų | 93 | 85.5 Ų | 85.5 | 56% | 0.564 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -62 | -45.1 | 175.3 | 171.3 | 0 | 0 | 0 | 0 | 111.1 | K440 L441 L446 L447 A448 | K440-V444 WeakPolarHBondContact O-CG2 3.35Å; K440-V444 PolarHBondContact O-N 3.26Å; L441-V444 PolarHBondContact O-N 3.31Å; V444-L446 VanDerWaalsContact C-N 3.33Å; V444-L446 PolarHBondContact O-N 3.41Å; V444-L447 PolarHBondContact O-N 3.24Å; V444-A448 WeakPolarHBondContact O-CB 3.48Å; V444-A448 PolarHBondContact O-N 3.31Å |
| 445 | M | 91.9 | Very high | 90.9 | Very high | 100 Ų | 100 | 79.7 Ų | 79.7 | 49% | 0.493 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62.9 | -39.4 | 176.4 | -69.6 | -172.9 | -60.8 | 0 | 0 | 112.1 | L441 T442 A448 L449 | L441-M445 HydrophobicContact CD1-CG 4.5Å; L441-M445 HydrophobicContact CG-CE 4.17Å; L441-M445 HydrophobicContact CG-SD 4.47Å; L441-M445 WeakPolarHBondContact O-CG 3.32Å; L441-M445 PolarHBondContact O-N 3.19Å; T442-M445 HydrophobicContact CG2-CE 4.07Å; T442-M445 PolarHBondContact O-N 2.87Å; M445-A448 PolarHBondContact O-N 2.83Å; M445-L449 WeakPolarHBondContact O-CB 3.33Å; M445-L449 PolarHBondContact O-N 3.3Å |
| 446 | L | 92 | Very high | 91.4 | Very high | 14 Ų | 14 | 76.2 Ų | 76.2 | 7% | 0.073 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -61.4 | -49 | 175.5 | 175.3 | 72 | 0 | 0 | 0 | 111.6 | P13 L151 F155 L428 T442 C443 V444 A448 L449 L450 | P13-L446 HydrophobicContact CG-CD2 4.08Å; L151-L446 HydrophobicContact CD1-CD1 3.87Å; L151-L446 HydrophobicContact CD1-CD2 4.18Å; L151-L446 HydrophobicContact CD2-CD1 4.46Å; F155-L446 HydrophobicContact CE2-CD1 3.77Å; F155-L446 HydrophobicContact CZ-CD1 3.46Å; F155-L446 VanDerWaalsContact CZ-CD1 3.46Å; L428-L446 HydrophobicContact CD1-CD1 3.77Å; T442-L446 VanDerWaalsContact O-CB 3.29Å; T442-L446 WeakPolarHBondContact O-CB 3.44Å; T442-L446 PolarHBondContact O-N 2.94Å; C443-L446 WeakPolarHBondContact O-CB 3.47Å; C443-L446 PolarHBondContact O-N 3.34Å; V444-L446 VanDerWaalsContact C-N 3.33Å; V444-L446 PolarHBondContact O-N 3.41Å; L446-A448 VanDerWaalsContact C-N 3.34Å; L446-L449 PolarHBondContact O-N 3.32Å; L446-L450 PolarHBondContact O-N 3.06Å |
| 447 | L | 93 | Very high | 92.1 | Very high | 94 Ų | 94 | 71.7 Ų | 71.7 | 49% | 0.492 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63.9 | -40.6 | 177.8 | -71.1 | 172.3 | 0 | 0 | 0 | 111.3 | C443 V444 L450 C451 | C443-L447 WeakPolarHBondContact O-CG 3.42Å; C443-L447 PolarHBondContact O-N 3.2Å; V444-L447 PolarHBondContact O-N 3.24Å; L447-L450 PolarHBondContact O-N 3.13Å; L447-C451 WeakPolarHBondContact O-CB 3.37Å; L447-C451 PolarHBondContact O-N 3.48Å; L447-C451 PolarHBondContact O-SG 2.93Å |
| 448 | A | 94.9 | Very high | 92.5 | Very high | 59 Ų | 59 | 64 Ų | 64 | 49% | 0.488 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.1 | -43.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | V444 M445 L446 C451 M452 | V444-A448 WeakPolarHBondContact O-CB 3.48Å; V444-A448 PolarHBondContact O-N 3.31Å; M445-A448 PolarHBondContact O-N 2.83Å; L446-A448 VanDerWaalsContact C-N 3.34Å; A448-C451 PolarHBondContact O-N 3.34Å; A448-M452 WeakPolarHBondContact O-CB 3.43Å; A448-M452 PolarHBondContact O-N 3.27Å |
| 449 | L | 94.3 | Very high | 93 | Very high | 44 Ų | 44 | 62.1 Ų | 62.1 | 23% | 0.23 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.8 | -45.9 | 175.2 | 179.1 | 60.2 | 0 | 0 | 0 | 111.3 | F155 M445 L446 M452 Y453 | F155-L449 HydrophobicContact CE1-CD2 3.84Å; F155-L449 HydrophobicContact CE1-CG 4.02Å; F155-L449 HydrophobicContact CZ-CD2 3.95Å; M445-L449 WeakPolarHBondContact O-CB 3.33Å; M445-L449 PolarHBondContact O-N 3.3Å; L446-L449 PolarHBondContact O-N 3.32Å; L449-M452 HydrophobicContact CD1-CE 3.55Å; L449-M452 WeakPolarHBondContact O-CB 3.32Å; L449-M452 PolarHBondContact O-N 3.01Å; L449-Y453 HydrophobicContact CD1-CD1 3.92Å; L449-Y453 HydrophobicContact CD1-CE1 3.44Å; L449-Y453 VanDerWaalsContact CD1-CE1 3.44Å; L449-Y453 HydrophobicContact CG-CE1 4.26Å; L449-Y453 WeakPolarHBondContact O-CB 3.41Å; L449-Y453 WeakPolarHBondContact O-CD1 3.48Å; L449-Y453 PolarHBondContact O-N 3.44Å |
| 450 | L | 94.9 | Very high | 93.6 | Very high | 37 Ų | 37 | 58.7 Ų | 58.7 | 19% | 0.194 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.8 | -45.8 | 177.8 | -176.4 | 62.6 | 0 | 0 | 0 | 111.8 | I154 A158 L446 L447 M452 Y453 V454 | I154-L450 HydrophobicContact CG2-CD1 3.46Å; I154-L450 VanDerWaalsContact CG2-CD1 3.46Å; I154-L450 HydrophobicContact CG2-CD2 3.71Å; I154-L450 HydrophobicContact CG2-CG 4.25Å; A158-L450 HydrophobicContact CB-CD1 3.82Å; L446-L450 PolarHBondContact O-N 3.06Å; L447-L450 PolarHBondContact O-N 3.13Å; L450-M452 VanDerWaalsContact C-N 3.31Å; L450-M452 PolarHBondContact O-N 2.71Å; L450-Y453 WeakPolarHBondContact O-CB 3.35Å; L450-Y453 PolarHBondContact O-N 3.07Å; L450-Y453 VanDerWaalsContact O-N 3.14Å; L450-V454 WeakPolarHBondContact O-CG2 3.34Å; L450-V454 PolarHBondContact O-N 3.46Å |
| 451 | C | 96 | Very high | 94 | Very high | 77 Ų | 77 | 50 Ų | 50 | 52% | 0.52 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59.6 | -43 | 175.1 | -73.7 | 0 | 0 | 0 | 0 | 111.3 | L447 A448 Y453 V454 V455 | L447-C451 WeakPolarHBondContact O-CB 3.37Å; L447-C451 PolarHBondContact O-N 3.48Å; L447-C451 PolarHBondContact O-SG 2.93Å; A448-C451 PolarHBondContact O-N 3.34Å; C451-Y453 VanDerWaalsContact C-N 3.31Å; C451-Y453 PolarHBondContact O-N 2.88Å; C451-V454 PolarHBondContact O-N 3.23Å; C451-V455 WeakPolarHBondContact O-CB 3.45Å; C451-V455 VanDerWaalsContact O-CG2 3.25Å; C451-V455 WeakPolarHBondContact O-CG2 3.3Å; C451-V455 PolarHBondContact O-N 3.3Å |
| 452 | M | 95.9 | Very high | 94.3 | Very high | 85 Ų | 85 | 49.5 Ų | 49.5 | 42% | 0.419 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.5 | -43.9 | 174.8 | -177.5 | -178.2 | 64.5 | 0 | 0 | 110.9 | A448 L449 L450 V455 R456 | A448-M452 WeakPolarHBondContact O-CB 3.43Å; A448-M452 PolarHBondContact O-N 3.27Å; L449-M452 HydrophobicContact CD1-CE 3.55Å; L449-M452 WeakPolarHBondContact O-CB 3.32Å; L449-M452 PolarHBondContact O-N 3.01Å; L450-M452 VanDerWaalsContact C-N 3.31Å; L450-M452 PolarHBondContact O-N 2.71Å; M452-V455 PolarHBondContact O-N 3.47Å; M452-R456 HydrophobicContact CG-CG 4.21Å; M452-R456 VanDerWaalsContact O-CB 3.24Å; M452-R456 WeakPolarHBondContact O-CB 3.42Å; M452-R456 WeakPolarHBondContact O-CG 3.38Å; M452-R456 PolarHBondContact O-N 3.35Å |
| 453 | Y | 96.8 | Very high | 94.8 | Very high | 2 Ų | 2 | 51.6 Ų | 51.6 | 1% | 0.008 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.3 | -50.4 | 177.7 | -88.2 | 30.5 | 0 | 0 | 0 | 111.7 | F155 A158 H159 P160 P331 Y420 L449 L450 C451 V455 R456 C457 | F155-Y453 HydrophobicContact CD1-CD2 4.06Å; F155-Y453 HydrophobicContact CD1-CE2 4.04Å; A158-Y453 WeakPolarHBondContact O-CB 3.4Å; H159-Y453 AromaticContact CD2-CE2 3.84Å; P160-Y453 HydrophobicContact CG-CD1 4.49Å; P160-Y453 HydrophobicContact CG-CG 4.38Å; P331-Y453 HydrophobicContact CG-CE1 4.36Å; Y420-Y453 PolarHBondContact OH-OH 3.24Å; L449-Y453 HydrophobicContact CD1-CD1 3.92Å; L449-Y453 HydrophobicContact CD1-CE1 3.44Å; L449-Y453 VanDerWaalsContact CD1-CE1 3.44Å; L449-Y453 HydrophobicContact CG-CE1 4.26Å; L449-Y453 WeakPolarHBondContact O-CB 3.41Å; L449-Y453 WeakPolarHBondContact O-CD1 3.48Å; L449-Y453 PolarHBondContact O-N 3.44Å; L450-Y453 WeakPolarHBondContact O-CB 3.35Å; L450-Y453 PolarHBondContact O-N 3.07Å; L450-Y453 VanDerWaalsContact O-N 3.14Å; C451-Y453 VanDerWaalsContact C-N 3.31Å; C451-Y453 PolarHBondContact O-N 2.88Å; Y453-V455 PolarHBondContact O-N 3.27Å; Y453-R456 WeakPolarHBondContact O-CB 3.4Å; Y453-R456 PolarHBondContact O-N 2.94Å; Y453-C457 PolarHBondContact O-N 2.89Å; Y453-C457 PolarHBondContact O-SG 2.8Å; Y453-C457 VanDerWaalsContact O-SG 3.35Å |
| 454 | V | 97.2 | Very high | 95.1 | Very high | 37 Ų | 37 | 50.3 Ų | 50.3 | 22% | 0.224 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.3 | -46.6 | 176.8 | 177.6 | 0 | 0 | 0 | 0 | 111.6 | A158 L450 C451 R456 C457 A458 | A158-V454 HydrophobicContact CB-CG2 4.11Å; L450-V454 WeakPolarHBondContact O-CG2 3.34Å; L450-V454 PolarHBondContact O-N 3.46Å; C451-V454 PolarHBondContact O-N 3.23Å; V454-R456 VanDerWaalsContact C-N 3.31Å; V454-R456 PolarHBondContact O-N 2.91Å; V454-C457 PolarHBondContact O-N 3.33Å; V454-A458 WeakPolarHBondContact O-CB 3.34Å; V454-A458 PolarHBondContact O-N 3.43Å |
| 455 | V | 95.9 | Very high | 95.3 | Very high | 80 Ų | 80 | 49.7 Ų | 49.7 | 49% | 0.485 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.3 | -40.8 | 177.8 | 170.2 | 0 | 0 | 0 | 0 | 110.9 | C451 M452 Y453 A458 L459 | C451-V455 WeakPolarHBondContact O-CB 3.45Å; C451-V455 VanDerWaalsContact O-CG2 3.25Å; C451-V455 WeakPolarHBondContact O-CG2 3.3Å; C451-V455 PolarHBondContact O-N 3.3Å; M452-V455 PolarHBondContact O-N 3.47Å; Y453-V455 PolarHBondContact O-N 3.27Å; V455-A458 PolarHBondContact O-N 2.79Å; V455-L459 HydrophobicContact CG1-CD1 3.86Å; V455-L459 HydrophobicContact CG1-CG 4.3Å; V455-L459 WeakPolarHBondContact O-CB 3.49Å; V455-L459 VanDerWaalsContact O-CG 3.29Å; V455-L459 WeakPolarHBondContact O-CG 3.32Å; V455-L459 PolarHBondContact O-N 2.96Å |
| 456 | R | 95.9 | Very high | 95.5 | Very high | 60 Ų | 60 | 46.1 Ų | 46.1 | 23% | 0.226 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.2 | -44.7 | 177.2 | -74.8 | -75.8 | 142.7 | -178.3 | -12.7 | 111.7 | P160 W332 M452 Y453 V454 L459 R460 | P160-R456 HydrophobicContact CB-CB 3.94Å; P160-R456 HydrophobicContact CG-CB 3.54Å; W332-R456 VanDerWaalsContact CE2-NH1 3.33Å; M452-R456 HydrophobicContact CG-CG 4.21Å; M452-R456 VanDerWaalsContact O-CB 3.24Å; M452-R456 WeakPolarHBondContact O-CB 3.42Å; M452-R456 WeakPolarHBondContact O-CG 3.38Å; M452-R456 PolarHBondContact O-N 3.35Å; Y453-R456 WeakPolarHBondContact O-CB 3.4Å; Y453-R456 PolarHBondContact O-N 2.94Å; V454-R456 VanDerWaalsContact C-N 3.31Å; V454-R456 PolarHBondContact O-N 2.91Å; R456-L459 PolarHBondContact O-N 3.44Å; R456-R460 VanDerWaalsContact O-CB 3.24Å; R456-R460 WeakPolarHBondContact O-CB 3.44Å; R456-R460 PolarHBondContact O-N 3.39Å |
| 457 | C | 97.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -57.9 | -49.3 | 172.5 | -68.8 | 0 | 0 | 0 | 0 | 111.2 | C33 F34 A158 P160 Y453 V454 L459 R460 S461 | C33-C457 HydrophobicContact CB-CB 3.64Å; C33-C457 CarbonylContact O-C 3.56Å; C33-C457 WeakPolarHBondContact O-CB 3.24Å; F34-C457 HydrophobicContact CE1-CB 4.05Å; F34-C457 HydrophobicContact CZ-CB 4.13Å; A158-C457 PolarHBondContact O-SG 2.66Å; P160-C457 WeakPolarHBondContact CA-SG 3.4Å; Y453-C457 PolarHBondContact O-N 2.89Å; Y453-C457 PolarHBondContact O-SG 2.8Å; Y453-C457 VanDerWaalsContact O-SG 3.35Å; V454-C457 PolarHBondContact O-N 3.33Å; C457-L459 PolarHBondContact O-N 3.32Å; C457-R460 PolarHBondContact O-N 3.18Å; C457-S461 WeakPolarHBondContact O-CB 3.47Å; C457-S461 PolarHBondContact O-N 2.84Å; C457-S461 PolarHBondContact O-OG 3.12Å |
| 458 | A | 95.9 | Very high | 95.6 | Very high | 20 Ų | 20 | 46.8 Ų | 46.8 | 17% | 0.165 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.3 | -43.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | C33 V454 V455 H462 | C33-A458 WeakPolarHBondContact O-CA 3.42Å; C33-A458 PolarHBondContact O-N 2.87Å; V454-A458 WeakPolarHBondContact O-CB 3.34Å; V454-A458 PolarHBondContact O-N 3.43Å; V455-A458 PolarHBondContact O-N 2.79Å; A458-H462 WeakPolarHBondContact O-CB 3.49Å; A458-H462 PolarHBondContact O-N 2.99Å |
| 459 | L | 95.3 | Very high | 95.6 | Very high | 92 Ų | 92 | 45.4 Ų | 45.4 | 48% | 0.482 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -66.1 | -47.6 | 176.5 | -73.1 | 173.3 | 0 | 0 | 0 | 111.9 | V455 R456 C457 S461 H462 Q463 | V455-L459 HydrophobicContact CG1-CD1 3.86Å; V455-L459 HydrophobicContact CG1-CG 4.3Å; V455-L459 WeakPolarHBondContact O-CB 3.49Å; V455-L459 VanDerWaalsContact O-CG 3.29Å; V455-L459 WeakPolarHBondContact O-CG 3.32Å; V455-L459 PolarHBondContact O-N 2.96Å; R456-L459 PolarHBondContact O-N 3.44Å; C457-L459 PolarHBondContact O-N 3.32Å; L459-S461 VanDerWaalsContact C-N 3.33Å; L459-S461 PolarHBondContact O-N 3.39Å; L459-H462 PolarHBondContact O-N 2.77Å; L459-Q463 WeakPolarHBondContact O-CG 3.44Å; L459-Q463 PolarHBondContact O-N 3.3Å |
| 460 | R | 95.7 | Very high | 95.6 | Very high | 11 Ų | 11 | 43.3 Ų | 43.3 | 4% | 0.042 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.3 | -41 | 179.5 | -174 | 59.2 | 175.5 | 155.6 | 3.8 | 110.3 | T163 L334 F336 E410 R456 C457 H462 Q463 W464 S473 | T163-R460 HydrophobicContact CG2-CB 3.79Å; T163-R460 HydrophobicContact CG2-CG 3.46Å; T163-R460 VanDerWaalsContact CG2-CG 3.46Å; L334-R460 HydrophobicContact CD1-CG 3.98Å; F336-R460 VanDerWaalsContact N-NH2 3.2Å; E410-R460 IonicContact OE1-CZ 2.9Å; E410-R460 IonicContact OE1-NE 3.76Å; E410-R460 PolarHBondContact OE1-NE 2.93Å; E410-R460 IonicContact OE1-NH2 3.26Å; E410-R460 PolarHBondContact OE1-NH2 3.23Å; R456-R460 VanDerWaalsContact O-CB 3.24Å; R456-R460 WeakPolarHBondContact O-CB 3.44Å; R456-R460 PolarHBondContact O-N 3.39Å; C457-R460 PolarHBondContact O-N 3.18Å; R460-H462 VanDerWaalsContact C-N 3.31Å; R460-H462 PolarHBondContact O-N 3.21Å; R460-Q463 WeakPolarHBondContact O-CB 3.48Å; R460-Q463 PolarHBondContact O-N 2.73Å; R460-W464 VanDerWaalsContact O-CD1 3.28Å; R460-W464 PolarHBondContact O-N 2.68Å; R460-S473 PolarHBondContact NH1-OG 3.2Å |
| 461 | S | 96 | Very high | 95.6 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.4 | -37.4 | 179.4 | -56.7 | 0 | 0 | 0 | 0 | 111.3 | F34 T163 C457 L459 Q463 W464 | F34-S461 WeakPolarHBondContact CD1-OG 3.45Å; T163-S461 WeakPolarHBondContact CG2-OG 3.35Å; C457-S461 WeakPolarHBondContact O-CB 3.47Å; C457-S461 PolarHBondContact O-N 2.84Å; C457-S461 PolarHBondContact O-OG 3.12Å; L459-S461 VanDerWaalsContact C-N 3.33Å; L459-S461 PolarHBondContact O-N 3.39Å; S461-Q463 VanDerWaalsContact C-N 3.28Å; S461-Q463 PolarHBondContact O-N 2.85Å; S461-W464 PolarHBondContact O-N 3.28Å; S461-W464 VanDerWaalsContact O-N 3.16Å |
| 462 | H | 95.5 | Very high | 95.5 | Very high | 88 Ų | 88 | 40.7 Ų | 40.7 | 41% | 0.407 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -61.9 | -36.2 | 172.8 | -174.9 | -80.3 | 0 | 0 | 0 | 112.2 | A458 L459 R460 W464 R465 | A458-H462 WeakPolarHBondContact O-CB 3.49Å; A458-H462 PolarHBondContact O-N 2.99Å; L459-H462 PolarHBondContact O-N 2.77Å; R460-H462 VanDerWaalsContact C-N 3.31Å; R460-H462 PolarHBondContact O-N 3.21Å; H462-W464 PolarHBondContact O-N 3.03Å; H462-R465 PolarHBondContact NE2-NH1 3.38Å; H462-R465 VanDerWaalsContact NE2-NH1 3.1Å; H462-R465 WeakPolarHBondContact O-CB 3.5Å; H462-R465 WeakPolarHBondContact O-CG 3.5Å; H462-R465 PolarHBondContact O-N 3.36Å; H462-R465 VanDerWaalsContact O-N 3.16Å |
| 463 | Q | 95.4 | Very high | 95.5 | Very high | 58 Ų | 58 | 37.4 Ų | 37.4 | 27% | 0.271 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -63.5 | -30 | 176.5 | -65.4 | 167.8 | -10.3 | 0 | 0 | 112.3 | L459 R460 S461 R465 S469 L470 S473 | L459-Q463 WeakPolarHBondContact O-CG 3.44Å; L459-Q463 PolarHBondContact O-N 3.3Å; R460-Q463 WeakPolarHBondContact O-CB 3.48Å; R460-Q463 PolarHBondContact O-N 2.73Å; S461-Q463 VanDerWaalsContact C-N 3.28Å; S461-Q463 PolarHBondContact O-N 2.85Å; Q463-R465 VanDerWaalsContact C-N 3.25Å; Q463-R465 PolarHBondContact O-N 3.23Å; Q463-S469 CarbonylContact O-C 3.36Å; Q463-S469 WeakPolarHBondContact O-CB 3.3Å; Q463-S469 PolarHBondContact O-OG 3.34Å; Q463-L470 VanDerWaalsContact O-CA 3.27Å; Q463-L470 WeakPolarHBondContact O-CA 3.45Å; Q463-L470 WeakPolarHBondContact O-CB 3.38Å; Q463-L470 PolarHBondContact O-N 3.06Å; Q463-S473 PolarHBondContact OE1-OG 3.14Å |
| 464 | W | 95.7 | Very high | 95.3 | Very high | 5 Ų | 5 | 37.3 Ų | 37.3 | 2% | 0.019 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -3 | 176.7 | -78.4 | 90.7 | 0 | 0 | 0 | 114.3 | V43 E164 A167 F336 R460 S461 H462 S466 L470 | V43-W464 HydrophobicContact CG2-CE3 3.79Å; V43-W464 HydrophobicContact CG2-CZ3 4.28Å; V43-W464 WeakPolarHBondContact CG2-O 3.38Å; E164-W464 HydrophobicContact CB-CH2 4.36Å; E164-W464 HydrophobicContact CB-CZ2 3.77Å; E164-W464 HydrophobicContact CG-CH2 3.73Å; E164-W464 HydrophobicContact CG-CZ2 3.63Å; A167-W464 HydrophobicContact CB-CB 3.61Å; A167-W464 HydrophobicContact CB-CG 3.86Å; F336-W464 HydrophobicContact CB-CH2 4.16Å; F336-W464 HydrophobicContact CB-CZ2 4.05Å; R460-W464 VanDerWaalsContact O-CD1 3.28Å; R460-W464 PolarHBondContact O-N 2.68Å; S461-W464 PolarHBondContact O-N 3.28Å; S461-W464 VanDerWaalsContact O-N 3.16Å; H462-W464 PolarHBondContact O-N 3.03Å; W464-S466 VanDerWaalsContact C-N 3.34Å; W464-S466 PolarHBondContact O-N 3.3Å; W464-L470 HydrophobicContact CD2-CD1 3.74Å; W464-L470 HydrophobicContact CD2-CD2 4.2Å; W464-L470 HydrophobicContact CE3-CD1 4.22Å; W464-L470 HydrophobicContact CE3-CD2 3.8Å; W464-L470 HydrophobicContact CG-CD1 4.02Å; W464-L470 HydrophobicContact CH2-CD2 4.23Å; W464-L470 HydrophobicContact CZ2-CD1 4.11Å; W464-L470 HydrophobicContact CZ3-CD2 3.82Å |
| 465 | R | 95.9 | Very high | 95.1 | Very high | 80 Ų | 80 | 37.2 Ų | 37.2 | 30% | 0.302 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -27 | -179 | -69.2 | 175.7 | 81.1 | -159.5 | 1.9 | 114.3 | N36 D39 G40 E41 H462 Q463 | N36-R465 VanDerWaalsContact O-CD 3.24Å; N36-R465 WeakPolarHBondContact O-CD 3.5Å; D39-R465 IonicContact OD1-CZ 3.67Å; D39-R465 VanDerWaalsContact OD1-CZ 3.29Å; D39-R465 IonicContact OD1-NE 3.23Å; D39-R465 PolarHBondContact OD1-NE 2.91Å; D39-R465 IonicContact OD1-NH2 3.01Å; D39-R465 PolarHBondContact OD1-NH2 2.86Å; D39-R465 IonicContact OD2-CZ 3.77Å; D39-R465 IonicContact OD2-NH2 3.34Å; D39-R465 PolarHBondContact OD2-NH2 3.4Å; G40-R465 WeakPolarHBondContact CA-O 3.31Å; E41-R465 PolarHBondContact N-O 3.07Å; H462-R465 PolarHBondContact NE2-NH1 3.38Å; H462-R465 VanDerWaalsContact NE2-NH1 3.1Å; H462-R465 WeakPolarHBondContact O-CB 3.5Å; H462-R465 WeakPolarHBondContact O-CG 3.5Å; H462-R465 PolarHBondContact O-N 3.36Å; H462-R465 VanDerWaalsContact O-N 3.16Å; Q463-R465 VanDerWaalsContact C-N 3.25Å; Q463-R465 PolarHBondContact O-N 3.23Å |
| 466 | S | 95.4 | Very high | 94.8 | Very high | 25 Ų | 25 | 38.1 Ų | 38.1 | 18% | 0.175 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -147.2 | 153.3 | -179.8 | 72.7 | 0 | 0 | 0 | 0 | 111.2 | W464 Q468 S469 L470 | W464-S466 VanDerWaalsContact C-N 3.34Å; W464-S466 PolarHBondContact O-N 3.3Å; S466-Q468 PolarHBondContact O-N 3.25Å; S466-S469 PolarHBondContact N-OG 3.37Å; S466-S469 PolarHBondContact O-N 3.11Å; S466-S469 PolarHBondContact O-OG 2.89Å; S466-S469 PolarHBondContact OG-N 3.09Å; S466-S469 VanDerWaalsContact OG-N 3.13Å; S466-S469 PolarHBondContact OG-OG 3.25Å; S466-L470 WeakPolarHBondContact O-CB 3.28Å; S466-L470 PolarHBondContact O-N 3.31Å |
| 467 | E | 93.8 | Very high | 94.5 | Very high | 41 Ų | 41 | 36.2 Ų | 36.2 | 19% | 0.192 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60 | -35.4 | 176.6 | -69.6 | -161.3 | 139 | 0 | 0 | 111.4 | V43 F44 L470 F471 N491 | V43-E467 HydrophobicContact CB-CG 3.85Å; V43-E467 HydrophobicContact CG1-CG 3.93Å; V43-E467 VanDerWaalsContact CG1-N 3.33Å; F44-E467 PolarHBondContact N-OE1 2.91Å; E467-L470 PolarHBondContact O-N 3.35Å; E467-F471 HydrophobicContact CB-CD2 4.14Å; E467-F471 HydrophobicContact CB-CE2 3.71Å; E467-F471 HydrophobicContact CB-CZ 4.25Å; E467-F471 HydrophobicContact CG-CE2 4.17Å; E467-F471 HydrophobicContact CG-CZ 4.32Å; E467-F471 WeakPolarHBondContact O-CB 3.24Å; E467-F471 WeakPolarHBondContact O-CD2 3.37Å; E467-F471 WeakPolarHBondContact O-CG 3.37Å; E467-F471 PolarHBondContact O-N 2.93Å; E467-N491 VanDerWaalsContact C-ND2 3.26Å; E467-N491 PolarHBondContact O-ND2 3.49Å |
| 468 | Q | 93.3 | Very high | 94.1 | Very high | 81 Ų | 81 | 36.5 Ų | 36.5 | 38% | 0.379 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -61.4 | -55 | 177.6 | -173.8 | -164.1 | 4.8 | 0 | 0 | 111.3 | S466 L470 S472 N491 | S466-Q468 PolarHBondContact O-N 3.25Å; Q468-L470 VanDerWaalsContact C-N 3.28Å; Q468-L470 PolarHBondContact O-N 3.08Å; Q468-S472 VanDerWaalsContact O-CB 3.24Å; Q468-S472 WeakPolarHBondContact O-CB 3.32Å; Q468-S472 PolarHBondContact O-N 3.19Å; Q468-S472 PolarHBondContact O-OG 3.04Å; Q468-S472 VanDerWaalsContact O-OG 3.09Å; Q468-N491 WeakPolarHBondContact CA-ND2 3.48Å; Q468-N491 PolarHBondContact N-ND2 2.81Å |
| 469 | S | 94.9 | Very high | 93.9 | Very high | 31 Ų | 31 | 38.8 Ų | 38.8 | 22% | 0.217 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.5 | -38.9 | -178.9 | 53 | 0 | 0 | 0 | 0 | 111.5 | Q463 S466 S473 | Q463-S469 CarbonylContact O-C 3.36Å; Q463-S469 WeakPolarHBondContact O-CB 3.3Å; Q463-S469 PolarHBondContact O-OG 3.34Å; S466-S469 PolarHBondContact N-OG 3.37Å; S466-S469 PolarHBondContact O-N 3.11Å; S466-S469 PolarHBondContact O-OG 2.89Å; S466-S469 PolarHBondContact OG-N 3.09Å; S466-S469 VanDerWaalsContact OG-N 3.13Å; S466-S469 PolarHBondContact OG-OG 3.25Å; S469-S473 VanDerWaalsContact O-CB 3.25Å; S469-S473 WeakPolarHBondContact O-CB 3.5Å; S469-S473 PolarHBondContact O-N 3.02Å; S469-S473 PolarHBondContact O-OG 3.29Å |
| 470 | L | 95.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.7 | -53.5 | -178.9 | -174.6 | 60.7 | 0 | 0 | 0 | 110.8 | V43 F44 F336 Q463 W464 S466 E467 Q468 S473 A474 | V43-L470 HydrophobicContact CB-CD2 4.42Å; V43-L470 HydrophobicContact CG2-CD2 4.08Å; F44-L470 HydrophobicContact CB-CD2 3.96Å; F336-L470 HydrophobicContact CB-CD1 3.98Å; F336-L470 HydrophobicContact CB-CD2 4.27Å; F336-L470 HydrophobicContact CB-CG 4.17Å; F336-L470 HydrophobicContact CD1-CD1 4.46Å; F336-L470 HydrophobicContact CD1-CG 4.13Å; F336-L470 HydrophobicContact CG-CD1 4.48Å; F336-L470 HydrophobicContact CG-CD2 4.41Å; F336-L470 HydrophobicContact CG-CG 4.2Å; Q463-L470 VanDerWaalsContact O-CA 3.27Å; Q463-L470 WeakPolarHBondContact O-CA 3.45Å; Q463-L470 WeakPolarHBondContact O-CB 3.38Å; Q463-L470 PolarHBondContact O-N 3.06Å; W464-L470 HydrophobicContact CD2-CD1 3.74Å; W464-L470 HydrophobicContact CD2-CD2 4.2Å; W464-L470 HydrophobicContact CE3-CD1 4.22Å; W464-L470 HydrophobicContact CE3-CD2 3.8Å; W464-L470 HydrophobicContact CG-CD1 4.02Å; W464-L470 HydrophobicContact CH2-CD2 4.23Å; W464-L470 HydrophobicContact CZ2-CD1 4.11Å; W464-L470 HydrophobicContact CZ3-CD2 3.82Å; S466-L470 WeakPolarHBondContact O-CB 3.28Å; S466-L470 PolarHBondContact O-N 3.31Å; E467-L470 PolarHBondContact O-N 3.35Å; Q468-L470 VanDerWaalsContact C-N 3.28Å; Q468-L470 PolarHBondContact O-N 3.08Å; L470-S473 PolarHBondContact O-N 3.05Å; L470-S473 PolarHBondContact O-OG 2.96Å; L470-A474 PolarHBondContact O-N 3.39Å |
| 471 | F | 95.1 | Very high | 93.4 | Very high | 5 Ų | 5 | 38.8 Ų | 38.8 | 2% | 0.022 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -71.4 | -38.5 | -176.9 | -56.2 | -28.9 | 0 | 0 | 0 | 112.4 | F44 F336 E467 S473 A474 N487 V488 N491 | F44-F471 HydrophobicContact CB-CE1 4.17Å; F44-F471 HydrophobicContact CB-CZ 4.31Å; F44-F471 AromaticContact CD2-CE1 3.7Å; F44-F471 HydrophobicContact CD2-CE1 3.7Å; F44-F471 AromaticContact CD2-CZ 3.99Å; F44-F471 HydrophobicContact CD2-CZ 3.99Å; F44-F471 HydrophobicContact CG-CE1 4.25Å; F336-F471 HydrophobicContact CD1-CD1 4.11Å; F336-F471 HydrophobicContact CD2-CD1 4.46Å; F336-F471 HydrophobicContact CD2-CE1 4.24Å; F336-F471 AromaticContact CE1-CD1 3.51Å; F336-F471 HydrophobicContact CE1-CD1 3.51Å; F336-F471 HydrophobicContact CE1-CE1 4.2Å; F336-F471 HydrophobicContact CE1-CG 4.47Å; F336-F471 AromaticContact CE2-CD1 3.93Å; F336-F471 HydrophobicContact CE2-CD1 3.93Å; F336-F471 AromaticContact CE2-CE1 3.78Å; F336-F471 HydrophobicContact CE2-CE1 3.78Å; F336-F471 AromaticContact CZ-CD1 3.42Å; F336-F471 HydrophobicContact CZ-CD1 3.42Å; F336-F471 VanDerWaalsContact CZ-CD1 3.42Å; F336-F471 AromaticContact CZ-CE1 3.77Å; F336-F471 HydrophobicContact CZ-CE1 3.77Å; F336-F471 HydrophobicContact CZ-CG 4.44Å; E467-F471 HydrophobicContact CB-CD2 4.14Å; E467-F471 HydrophobicContact CB-CE2 3.71Å; E467-F471 HydrophobicContact CB-CZ 4.25Å; E467-F471 HydrophobicContact CG-CE2 4.17Å; E467-F471 HydrophobicContact CG-CZ 4.32Å; E467-F471 WeakPolarHBondContact O-CB 3.24Å; E467-F471 WeakPolarHBondContact O-CD2 3.37Å; E467-F471 WeakPolarHBondContact O-CG 3.37Å; E467-F471 PolarHBondContact O-N 2.93Å; F471-S473 VanDerWaalsContact C-N 3.34Å; F471-S473 PolarHBondContact O-N 3.25Å; F471-A474 WeakPolarHBondContact O-CB 3.28Å; F471-A474 PolarHBondContact O-N 3.44Å; F471-N487 HydrophobicContact CB-CB 4.31Å; F471-N487 HydrophobicContact CD1-CB 4.21Å; F471-N487 HydrophobicContact CD2-CB 3.48Å; F471-N487 VanDerWaalsContact CD2-CB 3.48Å; F471-N487 HydrophobicContact CE1-CB 4.41Å; F471-N487 HydrophobicContact CE2-CB 3.72Å; F471-N487 HydrophobicContact CG-CB 3.75Å; F471-N487 HydrophobicContact CZ-CB 4.19Å; F471-V488 HydrophobicContact CB-CG2 3.78Å; F471-N491 WeakPolarHBondContact CD2-ND2 3.32Å |
| 472 | S | 94.1 | Very high | 93.3 | Very high | 53 Ų | 53 | 38.8 Ų | 38.8 | 37% | 0.371 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -66.1 | -35.7 | 175.7 | -64.3 | 0 | 0 | 0 | 0 | 112.5 | Q468 A474 L475 | Q468-S472 VanDerWaalsContact O-CB 3.24Å; Q468-S472 WeakPolarHBondContact O-CB 3.32Å; Q468-S472 PolarHBondContact O-N 3.19Å; Q468-S472 PolarHBondContact O-OG 3.04Å; Q468-S472 VanDerWaalsContact O-OG 3.09Å; S472-A474 PolarHBondContact O-N 3.37Å; S472-L475 WeakPolarHBondContact O-CB 3.34Å; S472-L475 PolarHBondContact O-N 2.93Å |
| 473 | S | 94.5 | Very high | 93.2 | Very high | 16 Ų | 16 | 37.1 Ų | 37.1 | 11% | 0.112 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62 | -34.5 | 175.1 | 74.3 | 0 | 0 | 0 | 0 | 112.3 | R460 Q463 S469 L470 F471 L475 S476 | R460-S473 PolarHBondContact NH1-OG 3.2Å; Q463-S473 PolarHBondContact OE1-OG 3.14Å; S469-S473 VanDerWaalsContact O-CB 3.25Å; S469-S473 WeakPolarHBondContact O-CB 3.5Å; S469-S473 PolarHBondContact O-N 3.02Å; S469-S473 PolarHBondContact O-OG 3.29Å; L470-S473 PolarHBondContact O-N 3.05Å; L470-S473 PolarHBondContact O-OG 2.96Å; F471-S473 VanDerWaalsContact C-N 3.34Å; F471-S473 PolarHBondContact O-N 3.25Å; S473-L475 PolarHBondContact O-N 3.43Å; S473-S476 PolarHBondContact O-N 2.81Å; S473-S476 PolarHBondContact O-OG 2.91Å |
| 474 | A | 93.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66 | -23.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | F336 L470 F471 S472 S476 V477 C478 V484 | F336-A474 HydrophobicContact CD1-CB 3.72Å; F336-A474 HydrophobicContact CE1-CB 3.43Å; F336-A474 VanDerWaalsContact CE1-CB 3.43Å; L470-A474 PolarHBondContact O-N 3.39Å; F471-A474 WeakPolarHBondContact O-CB 3.28Å; F471-A474 PolarHBondContact O-N 3.44Å; S472-A474 PolarHBondContact O-N 3.37Å; A474-S476 PolarHBondContact O-N 3.48Å; A474-V477 HydrophobicContact CB-CG2 4.45Å; A474-V477 VanDerWaalsContact O-CG2 3.26Å; A474-V477 WeakPolarHBondContact O-CG2 3.4Å; A474-V477 PolarHBondContact O-N 2.86Å; A474-C478 PolarHBondContact O-N 3.39Å; A474-V484 HydrophobicContact CB-CB 4.43Å; A474-V484 HydrophobicContact CB-CG1 3.77Å; A474-V484 HydrophobicContact CB-CG2 3.7Å |
| 475 | L | 92.6 | Very high | 93.2 | Very high | 35 Ų | 35 | 35 Ų | 35 | 18% | 0.183 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -32.4 | 176.6 | -70.6 | 170.4 | 0 | 0 | 0 | 112.7 | S472 S473 V477 P479 V484 V488 Y504 | S472-L475 WeakPolarHBondContact O-CB 3.34Å; S472-L475 PolarHBondContact O-N 2.93Å; S473-L475 PolarHBondContact O-N 3.43Å; L475-V477 VanDerWaalsContact C-N 3.32Å; L475-P479 WeakPolarHBondContact O-CA 3.3Å; L475-P479 WeakPolarHBondContact O-CB 3.36Å; L475-V484 HydrophobicContact CD2-CG1 3.64Å; L475-V484 HydrophobicContact CG-CG1 3.87Å; L475-V488 HydrophobicContact CD1-CG1 4.36Å; L475-V488 HydrophobicContact CD1-CG2 4.04Å; L475-V488 HydrophobicContact CG-CG2 4.24Å; L475-Y504 HydrophobicContact CD1-CE1 3.81Å; L475-Y504 HydrophobicContact CD2-CE1 4.17Å |
| 476 | S | 90.7 | Very high | 93.3 | Very high | 99 Ų | 99 | 32.7 Ų | 32.7 | 69% | 0.692 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -20.2 | 179 | 66.9 | 0 | 0 | 0 | 0 | 114 | S473 A474 | S473-S476 PolarHBondContact O-N 2.81Å; S473-S476 PolarHBondContact O-OG 2.91Å; A474-S476 PolarHBondContact O-N 3.48Å |
| 477 | V | 89 | Confident | 93.3 | Very high | 21 Ų | 21 | 32.2 Ų | 32.2 | 13% | 0.127 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.8 | -44 | -174.4 | -69.5 | 0 | 0 | 0 | 0 | 111.1 | W333 C335 A474 L475 P479 | W333-V477 PolarHBondContact NE1-O 3.46Å; C335-V477 HydrophobicContact CB-CG2 3.97Å; A474-V477 HydrophobicContact CB-CG2 4.45Å; A474-V477 VanDerWaalsContact O-CG2 3.26Å; A474-V477 WeakPolarHBondContact O-CG2 3.4Å; A474-V477 PolarHBondContact O-N 2.86Å; L475-V477 VanDerWaalsContact C-N 3.32Å; V477-P479 VanDerWaalsContact O-CD 3.31Å; V477-P479 WeakPolarHBondContact O-CD 3.07Å |
| 478 | C | 89.4 | Confident | 93.5 | Very high | 6 Ų | 6 | 30.5 Ų | 30.5 | 4% | 0.041 | 18% | 0.175 | C | C | . | . | trans | -123.3 | 62.6 | -179.4 | -60.8 | 0 | 0 | 0 | 0 | 110.6 | C335 A474 L480 N481 | C335-C478 VanDerWaalsContact SG-SG 3.62Å; A474-C478 PolarHBondContact O-N 3.39Å; C478-L480 PolarHBondContact O-N 2.69Å; C478-L480 VanDerWaalsContact O-N 3.1Å; C478-N481 HydrophobicContact CB-CB 3.95Å; C478-N481 VanDerWaalsContact O-CB 3.3Å; C478-N481 WeakPolarHBondContact O-CB 3.3Å; C478-N481 PolarHBondContact O-N 3.26Å | ||
| 479 | P | 90.6 | Very high | 93.6 | Very high | 68 Ų | 68 | 26.7 Ų | 26.7 | 44% | 0.442 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -16 | -177.1 | 26.8 | -35.4 | 0 | 0 | 0 | 113.6 | L475 V477 H485 | L475-P479 WeakPolarHBondContact O-CA 3.3Å; L475-P479 WeakPolarHBondContact O-CB 3.36Å; V477-P479 VanDerWaalsContact O-CD 3.31Å; V477-P479 WeakPolarHBondContact O-CD 3.07Å; P479-H485 PolarHBondContact O-NE2 2.82Å |
| 480 | L | 90 | Very high | 93.7 | Very high | 103 Ų | 103 | 28.8 Ų | 28.8 | 54% | 0.539 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | 6.7 | 177.9 | -57.6 | -179.4 | 0 | 0 | 0 | 113 | C478 A482 L511 | C478-L480 PolarHBondContact O-N 2.69Å; C478-L480 VanDerWaalsContact O-N 3.1Å; L480-A482 PolarHBondContact O-N 2.86Å; L480-L511 HydrophobicContact CB-CD2 4.33Å; L480-L511 HydrophobicContact CD2-CD2 3.99Å |
| 481 | N | 91.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | trans | -83.9 | 112.1 | 177.7 | -172.7 | -33.2 | 0 | 0 | 0 | 110.9 | D337 S339 C342 C478 K483 V484 H485 | D337-N481 PolarHBondContact O-ND2 2.91Å; S339-N481 PolarHBondContact O-ND2 3.46Å; C342-N481 WeakPolarHBondContact SG-CB 3.33Å; C342-N481 PolarHBondContact SG-ND2 2.94Å; C478-N481 HydrophobicContact CB-CB 3.95Å; C478-N481 VanDerWaalsContact O-CB 3.3Å; C478-N481 WeakPolarHBondContact O-CB 3.3Å; C478-N481 PolarHBondContact O-N 3.26Å; N481-K483 VanDerWaalsContact C-N 3.29Å; N481-K483 PolarHBondContact O-N 2.79Å; N481-K483 WeakPolarHBondContact OD1-CA 3.26Å; N481-K483 VanDerWaalsContact OD1-CB 3.32Å; N481-K483 WeakPolarHBondContact OD1-CB 3.34Å; N481-K483 PolarHBondContact OD1-N 3.2Å; N481-V484 HydrophobicContact CB-CB 3.98Å; N481-V484 HydrophobicContact CB-CG2 3.63Å; N481-V484 WeakPolarHBondContact O-CB 3.24Å; N481-V484 PolarHBondContact O-N 3.47Å; N481-V484 PolarHBondContact OD1-N 3Å; N481-H485 PolarHBondContact O-CD2 2.85Å; N481-H485 VanDerWaalsContact O-CD2 3.3Å; N481-H485 PolarHBondContact O-N 3.29Å | ||
| 482 | A | 93.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.1 | -35.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | M340 L480 H485 Y486 A508 L511 H512 Y515 | M340-A482 HydrophobicContact CB-CB 4.33Å; M340-A482 HydrophobicContact SD-CB 4.31Å; L480-A482 PolarHBondContact O-N 2.86Å; A482-H485 PolarHBondContact O-N 2.76Å; A482-Y486 WeakPolarHBondContact O-CB 3.32Å; A482-Y486 PolarHBondContact O-N 3.45Å; A482-A508 WeakPolarHBondContact CB-O 3.41Å; A482-A508 WeakPolarHBondContact O-CB 3.42Å; A482-L511 HydrophobicContact CB-CB 3.92Å; A482-H512 HydrophobicContact CB-CB 3.55Å; A482-Y515 HydrophobicContact CB-CD1 4.08Å; A482-Y515 HydrophobicContact CB-CE1 4.4Å |
| 483 | K | 93.6 | Very high | 93.8 | Very high | 53 Ų | 53 | 29.9 Ų | 29.9 | 23% | 0.23 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -69.5 | -33 | 178.3 | -177.7 | 174.9 | 178.8 | -171.6 | 0 | 112.6 | D337 M340 N481 N487 Y515 | D337-K483 VanDerWaalsContact OD2-CD 3.26Å; D337-K483 WeakPolarHBondContact OD2-CD 3.34Å; D337-K483 WeakPolarHBondContact OD2-CE 3.47Å; D337-K483 IonicContact OD2-NZ 2.89Å; D337-K483 PolarHBondContact OD2-NZ 3.04Å; M340-K483 HydrophobicContact CB-CB 4.37Å; M340-K483 HydrophobicContact CG-CB 3.91Å; N481-K483 VanDerWaalsContact C-N 3.29Å; N481-K483 PolarHBondContact O-N 2.79Å; N481-K483 WeakPolarHBondContact OD1-CA 3.26Å; N481-K483 VanDerWaalsContact OD1-CB 3.32Å; N481-K483 WeakPolarHBondContact OD1-CB 3.34Å; N481-K483 PolarHBondContact OD1-N 3.2Å; K483-N487 VanDerWaalsContact O-CB 3.31Å; K483-N487 WeakPolarHBondContact O-CB 3.49Å; K483-N487 PolarHBondContact O-N 3.18Å; K483-Y515 HydrophobicContact CB-CE1 4.49Å |
| 484 | V | 94.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.5 | -51.3 | 172.1 | 172.4 | 0 | 0 | 0 | 0 | 110.3 | F336 A474 L475 N481 Y486 N487 V488 | F336-V484 HydrophobicContact CE1-CG2 3.94Å; F336-V484 HydrophobicContact CZ-CG2 4.03Å; A474-V484 HydrophobicContact CB-CB 4.43Å; A474-V484 HydrophobicContact CB-CG1 3.77Å; A474-V484 HydrophobicContact CB-CG2 3.7Å; L475-V484 HydrophobicContact CD2-CG1 3.64Å; L475-V484 HydrophobicContact CG-CG1 3.87Å; N481-V484 HydrophobicContact CB-CB 3.98Å; N481-V484 HydrophobicContact CB-CG2 3.63Å; N481-V484 WeakPolarHBondContact O-CB 3.24Å; N481-V484 PolarHBondContact O-N 3.47Å; N481-V484 PolarHBondContact OD1-N 3Å; V484-Y486 PolarHBondContact O-N 3.32Å; V484-N487 PolarHBondContact O-N 3.32Å; V484-V488 WeakPolarHBondContact O-CG2 3.38Å; V484-V488 PolarHBondContact O-N 2.8Å |
| 485 | H | 96.6 | Very high | 93.7 | Very high | 18 Ų | 18 | 42 Ų | 42 | 8% | 0.083 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.8 | -44 | 177.9 | -73.6 | -78.5 | 0 | 0 | 0 | 111.9 | P479 N481 A482 N487 V488 G489 Y504 A508 L511 | P479-H485 PolarHBondContact O-NE2 2.82Å; N481-H485 PolarHBondContact O-CD2 2.85Å; N481-H485 VanDerWaalsContact O-CD2 3.3Å; N481-H485 PolarHBondContact O-N 3.29Å; A482-H485 PolarHBondContact O-N 2.76Å; H485-N487 PolarHBondContact O-N 3.23Å; H485-V488 PolarHBondContact O-N 3.25Å; H485-G489 PolarHBondContact O-N 3.34Å; H485-Y504 HydrophobicContact CB-CD1 4.45Å; H485-Y504 AromaticContact ND1-CD1 3.41Å; H485-Y504 WeakPolarHBondContact ND1-CD1 3.46Å; H485-Y504 AromaticContact ND1-CE1 3.86Å; H485-Y504 WeakPolarHBondContact O-CB 3.34Å; H485-A508 HydrophobicContact CB-CB 3.95Å; H485-L511 WeakPolarHBondContact CD2-CD1 3.34Å |
| 486 | Y | 96.8 | Very high | 93.8 | Very high | 31 Ų | 31 | 43.1 Ų | 43.1 | 12% | 0.122 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -56.8 | -49.5 | 175.3 | 166.7 | -98.8 | 0 | 0 | 0 | 112.2 | A482 V484 V488 G489 K490 Y505 Y515 H517 A518 N521 | A482-Y486 WeakPolarHBondContact O-CB 3.32Å; A482-Y486 PolarHBondContact O-N 3.45Å; V484-Y486 PolarHBondContact O-N 3.32Å; Y486-V488 PolarHBondContact O-N 2.97Å; Y486-G489 PolarHBondContact O-N 3.07Å; Y486-K490 WeakPolarHBondContact O-CB 3.21Å; Y486-K490 PolarHBondContact O-N 3.23Å; Y486-Y505 AromaticContact CD2-CD1 3.94Å; Y486-Y505 HydrophobicContact CD2-CD1 3.94Å; Y486-Y505 AromaticContact CD2-CE1 3.58Å; Y486-Y505 HydrophobicContact CD2-CE1 3.58Å; Y486-Y505 AromaticContact CE2-CE1 3.91Å; Y486-Y505 HydrophobicContact CE2-CE1 3.91Å; Y486-Y505 HydrophobicContact CG-CE1 4.41Å; Y486-Y505 WeakPolarHBondContact O-CE1 3.49Å; Y486-Y515 HydrophobicContact CD1-CE1 4.42Å; Y486-Y515 AromaticContact CD1-CZ 4Å; Y486-Y515 VanDerWaalsContact CD1-OH 3.26Å; Y486-Y515 WeakPolarHBondContact CD1-OH 3.4Å; Y486-Y515 HydrophobicContact CD2-CE1 4.45Å; Y486-Y515 AromaticContact CG-CE1 3.89Å; Y486-Y515 HydrophobicContact CG-CE1 3.89Å; Y486-Y515 AromaticContact CG-CZ 3.84Å; Y486-H517 HydrophobicContact CE2-CB 4.05Å; Y486-A518 HydrophobicContact CD2-CB 3.77Å; Y486-N521 WeakPolarHBondContact CE2-ND2 3.33Å; Y486-N521 PolarHBondContact OH-ND2 2.95Å |
| 487 | N | 95.9 | Very high | 94 | Very high | 16 Ų | 16 | 42 Ų | 42 | 9% | 0.086 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.6 | -35.7 | -177.9 | -80 | -15.4 | 0 | 0 | 0 | 112.5 | F471 K483 V484 H485 K490 N491 | F471-N487 HydrophobicContact CB-CB 4.31Å; F471-N487 HydrophobicContact CD1-CB 4.21Å; F471-N487 HydrophobicContact CD2-CB 3.48Å; F471-N487 VanDerWaalsContact CD2-CB 3.48Å; F471-N487 HydrophobicContact CE1-CB 4.41Å; F471-N487 HydrophobicContact CE2-CB 3.72Å; F471-N487 HydrophobicContact CG-CB 3.75Å; F471-N487 HydrophobicContact CZ-CB 4.19Å; K483-N487 VanDerWaalsContact O-CB 3.31Å; K483-N487 WeakPolarHBondContact O-CB 3.49Å; K483-N487 PolarHBondContact O-N 3.18Å; V484-N487 PolarHBondContact O-N 3.32Å; H485-N487 PolarHBondContact O-N 3.23Å; N487-K490 PolarHBondContact O-N 3.36Å; N487-N491 PolarHBondContact O-N 2.84Å; N487-N491 VanDerWaalsContact O-N 3.08Å |
| 488 | V | 96.7 | Very high | 94.3 | Very high | 5 Ų | 5 | 43.1 Ų | 43.1 | 3% | 0.03 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.4 | -43.9 | 171.5 | 173.2 | 0 | 0 | 0 | 0 | 110.9 | F471 L475 V484 H485 Y486 K490 N491 L492 Y504 | F471-V488 HydrophobicContact CB-CG2 3.78Å; L475-V488 HydrophobicContact CD1-CG1 4.36Å; L475-V488 HydrophobicContact CD1-CG2 4.04Å; L475-V488 HydrophobicContact CG-CG2 4.24Å; V484-V488 WeakPolarHBondContact O-CG2 3.38Å; V484-V488 PolarHBondContact O-N 2.8Å; H485-V488 PolarHBondContact O-N 3.25Å; Y486-V488 PolarHBondContact O-N 2.97Å; V488-K490 VanDerWaalsContact C-N 3.33Å; V488-K490 PolarHBondContact O-N 2.77Å; V488-N491 PolarHBondContact O-N 2.75Å; V488-L492 HydrophobicContact CG1-CD1 3.98Å; V488-L492 WeakPolarHBondContact O-CG 3.4Å; V488-L492 PolarHBondContact O-N 3.26Å; V488-Y504 HydrophobicContact CB-CD1 4.29Å; V488-Y504 HydrophobicContact CB-CG 4.45Å; V488-Y504 HydrophobicContact CG1-CD1 3.97Å; V488-Y504 HydrophobicContact CG1-CD2 3.92Å; V488-Y504 HydrophobicContact CG1-CE1 3.9Å; V488-Y504 HydrophobicContact CG1-CE2 3.85Å; V488-Y504 HydrophobicContact CG1-CG 3.99Å |
| 489 | G | 97.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.5 | -42.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | H485 Y486 L492 A493 A501 | H485-G489 PolarHBondContact O-N 3.34Å; Y486-G489 PolarHBondContact O-N 3.07Å; G489-L492 PolarHBondContact O-N 3.25Å; G489-A493 WeakPolarHBondContact O-CB 3.33Å; G489-A493 PolarHBondContact O-N 3.27Å; G489-A501 VanDerWaalsContact O-CB 3.23Å; G489-A501 WeakPolarHBondContact O-CB 3.49Å |
| 490 | K | 96.4 | Very high | 94.9 | Very high | 76 Ų | 76 | 46 Ų | 46 | 33% | 0.33 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -59.5 | -51.7 | 175 | -172.2 | -169.9 | 169.5 | -155.5 | 0 | 112 | Y486 N487 V488 L492 A493 D494 Y505 | Y486-K490 WeakPolarHBondContact O-CB 3.21Å; Y486-K490 PolarHBondContact O-N 3.23Å; N487-K490 PolarHBondContact O-N 3.36Å; V488-K490 VanDerWaalsContact C-N 3.33Å; V488-K490 PolarHBondContact O-N 2.77Å; K490-L492 PolarHBondContact O-N 3.14Å; K490-A493 PolarHBondContact O-N 3.33Å; K490-A493 VanDerWaalsContact O-N 3.11Å; K490-D494 VanDerWaalsContact O-CG 3.32Å; K490-D494 PolarHBondContact O-N 3.2Å; K490-Y505 WeakPolarHBondContact CA-OH 3.37Å; K490-Y505 PolarHBondContact N-OH 2.95Å |
| 491 | N | 94.9 | Very high | 95.2 | Very high | 18 Ų | 18 | 41.1 Ų | 41.1 | 10% | 0.096 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60 | -33.7 | 178.1 | -78.1 | -7.5 | 0 | 0 | 0 | 113.4 | E467 Q468 F471 N487 V488 R495 | E467-N491 VanDerWaalsContact C-ND2 3.26Å; E467-N491 PolarHBondContact O-ND2 3.49Å; Q468-N491 WeakPolarHBondContact CA-ND2 3.48Å; Q468-N491 PolarHBondContact N-ND2 2.81Å; F471-N491 WeakPolarHBondContact CD2-ND2 3.32Å; N487-N491 PolarHBondContact O-N 2.84Å; N487-N491 VanDerWaalsContact O-N 3.08Å; V488-N491 PolarHBondContact O-N 2.75Å; N491-R495 WeakPolarHBondContact O-CG 3.16Å; N491-R495 PolarHBondContact O-N 2.9Å |
| 492 | L | 96.3 | Very high | 95.5 | Very high | 38 Ų | 38 | 41.5 Ų | 41.5 | 20% | 0.199 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -71.7 | -41.7 | 175.5 | -72.8 | 165.5 | 0 | 0 | 0 | 111.9 | V488 G489 K490 R495 G496 N497 A500 A501 Y504 | V488-L492 HydrophobicContact CG1-CD1 3.98Å; V488-L492 WeakPolarHBondContact O-CG 3.4Å; V488-L492 PolarHBondContact O-N 3.26Å; G489-L492 PolarHBondContact O-N 3.25Å; K490-L492 PolarHBondContact O-N 3.14Å; L492-R495 PolarHBondContact O-N 3.22Å; L492-G496 PolarHBondContact O-N 3.37Å; L492-N497 HydrophobicContact CD2-CB 4.38Å; L492-N497 PolarHBondContact O-N 3.3Å; L492-A500 HydrophobicContact CD1-CB 3.87Å; L492-A500 HydrophobicContact CD2-CB 4.4Å; L492-A501 HydrophobicContact CB-CB 4.05Å; L492-Y504 HydrophobicContact CD1-CD2 3.41Å; L492-Y504 VanDerWaalsContact CD1-CD2 3.41Å; L492-Y504 HydrophobicContact CD1-CE2 3.57Å |
| 493 | A | 95.4 | Very high | 95.7 | Very high | 24 Ų | 24 | 49 Ų | 49 | 20% | 0.198 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.5 | -44.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | G489 K490 R495 G496 A501 Y505 I525 | G489-A493 WeakPolarHBondContact O-CB 3.33Å; G489-A493 PolarHBondContact O-N 3.27Å; K490-A493 PolarHBondContact O-N 3.33Å; K490-A493 VanDerWaalsContact O-N 3.11Å; A493-R495 PolarHBondContact O-N 3.29Å; A493-R495 VanDerWaalsContact O-N 3.13Å; A493-G496 PolarHBondContact O-N 2.95Å; A493-A501 HydrophobicContact CB-CB 3.85Å; A493-Y505 HydrophobicContact CB-CE2 4.5Å; A493-I525 HydrophobicContact CB-CD1 4.05Å |
| 494 | D | 92.8 | Very high | 95.9 | Very high | 115 Ų | 115 | 49.6 Ų | 49.6 | 62% | 0.615 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -62.7 | -21.3 | 178.7 | -67.6 | -15.6 | 0 | 0 | 0 | 112.3 | K490 | K490-D494 VanDerWaalsContact O-CG 3.32Å; K490-D494 PolarHBondContact O-N 3.2Å |
| 495 | R | 93.2 | Very high | 96.1 | Very high | 156 Ų | 156 | 49.8 Ų | 49.8 | 59% | 0.589 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95 | 4.7 | 174 | -67.1 | 177.3 | -179.3 | -162.4 | 3.8 | 114.1 | N491 L492 A493 N497 | N491-R495 WeakPolarHBondContact O-CG 3.16Å; N491-R495 PolarHBondContact O-N 2.9Å; L492-R495 PolarHBondContact O-N 3.22Å; A493-R495 PolarHBondContact O-N 3.29Å; A493-R495 VanDerWaalsContact O-N 3.13Å; R495-N497 VanDerWaalsContact C-N 3.34Å; R495-N497 PolarHBondContact O-N 3.38Å |
| 496 | G | 93.9 | Very high | 96.2 | Very high | 58 Ų | 58 | 53.9 Ų | 53.9 | 60% | 0.598 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.4 | 2.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | L492 A493 T498 | L492-G496 PolarHBondContact O-N 3.37Å; A493-G496 PolarHBondContact O-N 2.95Å; G496-T498 VanDerWaalsContact C-N 3.27Å; G496-T498 PolarHBondContact O-N 2.93Å |
| 497 | N | 95.6 | Very high | 96.2 | Very high | 76 Ų | 76 | 54.9 Ų | 54.9 | 41% | 0.406 | 28% | 0.283 | S | S | . | . | trans | -85.8 | 69.4 | 175.4 | -169 | -13.8 | 0 | 0 | 0 | 111 | L492 R495 T499 A500 A501 | L492-N497 HydrophobicContact CD2-CB 4.38Å; L492-N497 PolarHBondContact O-N 3.3Å; R495-N497 VanDerWaalsContact C-N 3.34Å; R495-N497 PolarHBondContact O-N 3.38Å; N497-T499 PolarHBondContact O-N 2.88Å; N497-A500 PolarHBondContact O-N 3.26Å; N497-A500 VanDerWaalsContact OD1-CB 3.3Å; N497-A500 WeakPolarHBondContact OD1-CB 3.46Å; N497-A500 PolarHBondContact OD1-N 2.94Å; N497-A501 WeakPolarHBondContact O-CB 3.02Å; N497-A501 PolarHBondContact O-N 3.45Å; N497-A501 VanDerWaalsContact O-N 3.09Å | ||
| 498 | T | 94.9 | Very high | 96.3 | Very high | 44 Ų | 44 | 54.1 Ų | 54.1 | 27% | 0.27 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65.3 | -35.2 | -175.8 | 55.2 | 0 | 0 | 0 | 0 | 112.6 | G496 A501 V502 I525 | G496-T498 VanDerWaalsContact C-N 3.27Å; G496-T498 PolarHBondContact O-N 2.93Å; T498-A501 WeakPolarHBondContact O-CB 3.46Å; T498-A501 PolarHBondContact O-N 3.06Å; T498-V502 WeakPolarHBondContact O-CG2 3.3Å; T498-V502 PolarHBondContact O-N 3.05Å; T498-I525 HydrophobicContact CG2-CG2 4.42Å |
| 499 | T | 95.6 | Very high | 96.3 | Very high | 108 Ų | 108 | 54.9 Ų | 54.9 | 66% | 0.663 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -61.9 | -46.6 | 178.4 | -48.6 | 0 | 0 | 0 | 0 | 112.2 | N497 | N497-T499 PolarHBondContact O-N 2.88Å |
| 500 | A | 96.4 | Very high | 96.2 | Very high | 27 Ų | 27 | 62 Ų | 62 | 22% | 0.223 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -69 | -38.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L492 N497 V502 K503 Y504 | L492-A500 HydrophobicContact CD1-CB 3.87Å; L492-A500 HydrophobicContact CD2-CB 4.4Å; N497-A500 PolarHBondContact O-N 3.26Å; N497-A500 VanDerWaalsContact OD1-CB 3.3Å; N497-A500 WeakPolarHBondContact OD1-CB 3.46Å; N497-A500 PolarHBondContact OD1-N 2.94Å; A500-V502 VanDerWaalsContact C-N 3.34Å; A500-V502 PolarHBondContact O-N 3.46Å; A500-K503 WeakPolarHBondContact O-CB 3.49Å; A500-K503 PolarHBondContact O-N 3.39Å; A500-Y504 VanDerWaalsContact O-CD2 3.31Å; A500-Y504 WeakPolarHBondContact O-CD2 3.37Å; A500-Y504 PolarHBondContact O-N 3.42Å |
| 501 | A | 97.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -57.8 | -44.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | G489 L492 A493 N497 T498 K503 Y504 Y505 I525 | G489-A501 VanDerWaalsContact O-CB 3.23Å; G489-A501 WeakPolarHBondContact O-CB 3.49Å; L492-A501 HydrophobicContact CB-CB 4.05Å; A493-A501 HydrophobicContact CB-CB 3.85Å; N497-A501 WeakPolarHBondContact O-CB 3.02Å; N497-A501 PolarHBondContact O-N 3.45Å; N497-A501 VanDerWaalsContact O-N 3.09Å; T498-A501 WeakPolarHBondContact O-CB 3.46Å; T498-A501 PolarHBondContact O-N 3.06Å; A501-K503 VanDerWaalsContact C-N 3.3Å; A501-K503 PolarHBondContact O-N 3.44Å; A501-Y504 PolarHBondContact O-N 3.08Å; A501-Y504 VanDerWaalsContact O-N 3.17Å; A501-Y505 HydrophobicContact CB-CD2 4.38Å; A501-Y505 HydrophobicContact CB-CE2 4.19Å; A501-Y505 WeakPolarHBondContact O-CD2 3.34Å; A501-Y505 PolarHBondContact O-N 3.31Å; A501-I525 HydrophobicContact CB-CD1 4.15Å |
| 502 | V | 98.1 | Very high | 96 | Very high | 9 Ų | 9 | 61.8 Ų | 61.8 | 6% | 0.055 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -55.9 | -43.6 | 176.4 | 166.3 | 0 | 0 | 0 | 0 | 111.5 | T498 A500 Y504 Y505 R506 L522 I525 | T498-V502 WeakPolarHBondContact O-CG2 3.3Å; T498-V502 PolarHBondContact O-N 3.05Å; A500-V502 VanDerWaalsContact C-N 3.34Å; A500-V502 PolarHBondContact O-N 3.46Å; V502-Y504 PolarHBondContact O-N 2.89Å; V502-Y505 PolarHBondContact O-N 3.28Å; V502-R506 HydrophobicContact CG1-CG 4.38Å; V502-R506 WeakPolarHBondContact O-CB 3.39Å; V502-R506 WeakPolarHBondContact O-CG 3.42Å; V502-R506 PolarHBondContact O-N 2.91Å; V502-L522 HydrophobicContact CB-CD1 4.26Å; V502-L522 HydrophobicContact CG1-CD1 3.97Å; V502-L522 HydrophobicContact CG2-CD1 4.04Å; V502-I525 HydrophobicContact CG2-CB 4.37Å; V502-I525 HydrophobicContact CG2-CG2 3.6Å |
| 503 | K | 97.8 | Very high | 95.9 | Very high | 156 Ų | 156 | 63 Ų | 63 | 68% | 0.678 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -58.7 | -47.3 | 177.8 | -178.2 | -179 | 176.6 | -179 | 0 | 111.6 | A500 A501 E507 | A500-K503 WeakPolarHBondContact O-CB 3.49Å; A500-K503 PolarHBondContact O-N 3.39Å; A501-K503 VanDerWaalsContact C-N 3.3Å; A501-K503 PolarHBondContact O-N 3.44Å; K503-E507 PolarHBondContact O-N 3.27Å; K503-E507 VanDerWaalsContact O-N 3.07Å |
| 504 | Y | 98.1 | Very high | 95.8 | Very high | 66 Ų | 66 | 65.9 Ų | 65.9 | 26% | 0.259 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -70.5 | -38 | -179.7 | -77.6 | -73.6 | 0 | 0 | 0 | 112.7 | L475 H485 V488 L492 A500 A501 V502 E507 A508 | L475-Y504 HydrophobicContact CD1-CE1 3.81Å; L475-Y504 HydrophobicContact CD2-CE1 4.17Å; H485-Y504 HydrophobicContact CB-CD1 4.45Å; H485-Y504 AromaticContact ND1-CD1 3.41Å; H485-Y504 WeakPolarHBondContact ND1-CD1 3.46Å; H485-Y504 AromaticContact ND1-CE1 3.86Å; H485-Y504 WeakPolarHBondContact O-CB 3.34Å; V488-Y504 HydrophobicContact CB-CD1 4.29Å; V488-Y504 HydrophobicContact CB-CG 4.45Å; V488-Y504 HydrophobicContact CG1-CD1 3.97Å; V488-Y504 HydrophobicContact CG1-CD2 3.92Å; V488-Y504 HydrophobicContact CG1-CE1 3.9Å; V488-Y504 HydrophobicContact CG1-CE2 3.85Å; V488-Y504 HydrophobicContact CG1-CG 3.99Å; L492-Y504 HydrophobicContact CD1-CD2 3.41Å; L492-Y504 VanDerWaalsContact CD1-CD2 3.41Å; L492-Y504 HydrophobicContact CD1-CE2 3.57Å; A500-Y504 VanDerWaalsContact O-CD2 3.31Å; A500-Y504 WeakPolarHBondContact O-CD2 3.37Å; A500-Y504 PolarHBondContact O-N 3.42Å; A501-Y504 PolarHBondContact O-N 3.08Å; A501-Y504 VanDerWaalsContact O-N 3.17Å; V502-Y504 PolarHBondContact O-N 2.89Å; Y504-E507 PolarHBondContact O-N 3Å; Y504-A508 WeakPolarHBondContact O-CB 3.12Å; Y504-A508 PolarHBondContact O-N 2.9Å |
| 505 | Y | 98.3 | Very high | 95.9 | Very high | 4 Ų | 4 | 61.3 Ų | 61.3 | 2% | 0.016 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66.8 | -40.7 | 174.3 | -70.1 | -43.3 | 0 | 0 | 0 | 112.8 | Y486 K490 A493 A501 V502 E507 A508 V509 N521 L522 I525 | Y486-Y505 AromaticContact CD2-CD1 3.94Å; Y486-Y505 HydrophobicContact CD2-CD1 3.94Å; Y486-Y505 AromaticContact CD2-CE1 3.58Å; Y486-Y505 HydrophobicContact CD2-CE1 3.58Å; Y486-Y505 AromaticContact CE2-CE1 3.91Å; Y486-Y505 HydrophobicContact CE2-CE1 3.91Å; Y486-Y505 HydrophobicContact CG-CE1 4.41Å; Y486-Y505 WeakPolarHBondContact O-CE1 3.49Å; K490-Y505 WeakPolarHBondContact CA-OH 3.37Å; K490-Y505 PolarHBondContact N-OH 2.95Å; A493-Y505 HydrophobicContact CB-CE2 4.5Å; A501-Y505 HydrophobicContact CB-CD2 4.38Å; A501-Y505 HydrophobicContact CB-CE2 4.19Å; A501-Y505 WeakPolarHBondContact O-CD2 3.34Å; A501-Y505 PolarHBondContact O-N 3.31Å; V502-Y505 PolarHBondContact O-N 3.28Å; Y505-E507 VanDerWaalsContact C-N 3.28Å; Y505-E507 PolarHBondContact O-N 3.03Å; Y505-A508 WeakPolarHBondContact O-CB 3.42Å; Y505-A508 PolarHBondContact O-N 3.26Å; Y505-V509 WeakPolarHBondContact O-CG2 3.34Å; Y505-V509 PolarHBondContact O-N 3.34Å; Y505-N521 HydrophobicContact CE1-CB 4.14Å; Y505-N521 HydrophobicContact CE2-CB 3.95Å; Y505-N521 PolarHBondContact OH-ND2 3.18Å; Y505-L522 HydrophobicContact CD2-CB 4.48Å; Y505-L522 HydrophobicContact CG-CB 4.46Å; Y505-I525 HydrophobicContact CD2-CD1 4.08Å; Y505-I525 HydrophobicContact CE2-CD1 3.69Å |
| 506 | R | 98.1 | Very high | 96.1 | Very high | 104 Ų | 104 | 54.2 Ų | 54.2 | 39% | 0.392 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59.6 | -41.7 | 173 | -78.1 | -175.4 | 174.1 | 143.2 | -0.2 | 111 | V502 V509 R510 L522 E531 E534 | V502-R506 HydrophobicContact CG1-CG 4.38Å; V502-R506 WeakPolarHBondContact O-CB 3.39Å; V502-R506 WeakPolarHBondContact O-CG 3.42Å; V502-R506 PolarHBondContact O-N 2.91Å; R506-V509 PolarHBondContact O-N 3.04Å; R506-R510 WeakPolarHBondContact O-CB 3.32Å; R506-R510 PolarHBondContact O-N 3.14Å; R506-L522 HydrophobicContact CG-CD1 4.39Å; R506-L522 HydrophobicContact CG-CD2 3.77Å; R506-E531 IonicContact NH2-OE2 2.68Å; R506-E534 IonicContact CZ-OE1 3.31Å; R506-E534 IonicContact CZ-OE2 3.68Å; R506-E534 IonicContact NE-OE1 2.97Å; R506-E534 PolarHBondContact NE-OE1 3.23Å; R506-E534 IonicContact NH2-OE1 3.14Å; R506-E534 PolarHBondContact NH2-OE1 3.23Å; R506-E534 IonicContact NH2-OE2 3.92Å; R506-E534 PolarHBondContact NH2-OE2 2.75Å |
| 507 | E | 97.5 | Very high | 96.2 | Very high | 53 Ų | 53 | 55.2 Ų | 55.2 | 25% | 0.248 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.3 | -40.2 | 176.2 | -172.4 | 58.9 | -166.6 | 0 | 0 | 112.5 | K503 Y504 Y505 V509 R510 L511 | K503-E507 PolarHBondContact O-N 3.27Å; K503-E507 VanDerWaalsContact O-N 3.07Å; Y504-E507 PolarHBondContact O-N 3Å; Y505-E507 VanDerWaalsContact C-N 3.28Å; Y505-E507 PolarHBondContact O-N 3.03Å; E507-V509 PolarHBondContact O-N 3.24Å; E507-R510 VanDerWaalsContact CD-NE 3.3Å; E507-R510 WeakPolarHBondContact O-CB 3.38Å; E507-R510 PolarHBondContact O-N 3.29Å; E507-R510 IonicContact OE1-CZ 3.87Å; E507-R510 VanDerWaalsContact OE1-CZ 3.29Å; E507-R510 IonicContact OE1-NE 3.25Å; E507-R510 PolarHBondContact OE1-NE 3.42Å; E507-R510 VanDerWaalsContact OE1-NE 3.12Å; E507-R510 IonicContact OE1-NH2 3.31Å; E507-R510 PolarHBondContact OE1-NH2 3.48Å; E507-R510 IonicContact OE2-CZ 2.54Å; E507-R510 IonicContact OE2-NE 3.57Å; E507-R510 PolarHBondContact OE2-NE 2.96Å; E507-R510 IonicContact OE2-NH2 3.94Å; E507-L511 HydrophobicContact CG-CD1 4.1Å; E507-L511 WeakPolarHBondContact O-CB 3.43Å; E507-L511 WeakPolarHBondContact O-CG 3.06Å; E507-L511 PolarHBondContact O-N 3.48Å |
| 508 | A | 96.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.8 | -43.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | A482 H485 Y504 Y505 L511 H512 Y515 A518 | A482-A508 WeakPolarHBondContact CB-O 3.41Å; A482-A508 WeakPolarHBondContact O-CB 3.42Å; H485-A508 HydrophobicContact CB-CB 3.95Å; Y504-A508 WeakPolarHBondContact O-CB 3.12Å; Y504-A508 PolarHBondContact O-N 2.9Å; Y505-A508 WeakPolarHBondContact O-CB 3.42Å; Y505-A508 PolarHBondContact O-N 3.26Å; A508-L511 PolarHBondContact O-N 3.13Å; A508-H512 PolarHBondContact O-N 2.9Å; A508-Y515 HydrophobicContact CB-CD1 4.36Å; A508-A518 HydrophobicContact CB-CB 4.09Å |
| 509 | V | 96.8 | Very high | 96.4 | Very high | 21 Ų | 21 | 49.5 Ų | 49.5 | 13% | 0.127 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -69.3 | -34.9 | 176.1 | 175.6 | 0 | 0 | 0 | 0 | 111.5 | Y505 R506 E507 H512 P513 A518 M519 L538 | Y505-V509 WeakPolarHBondContact O-CG2 3.34Å; Y505-V509 PolarHBondContact O-N 3.34Å; R506-V509 PolarHBondContact O-N 3.04Å; E507-V509 PolarHBondContact O-N 3.24Å; V509-H512 CarbonylContact O-C 3.13Å; V509-P513 WeakPolarHBondContact O-CA 3.39Å; V509-P513 VanDerWaalsContact O-N 3.12Å; V509-A518 HydrophobicContact CG2-CB 3.87Å; V509-M519 HydrophobicContact CG1-CE 4.2Å; V509-M519 HydrophobicContact CG1-CG 4.42Å; V509-M519 HydrophobicContact CG2-CG 3.93Å; V509-L538 HydrophobicContact CG1-CD2 4.38Å |
| 510 | R | 96.3 | Very high | 96.5 | Very high | 148 Ų | 148 | 45 Ų | 45 | 56% | 0.558 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -63.6 | -45.1 | 174.6 | -169.6 | -165.8 | 71.7 | 75.3 | -0.5 | 111.6 | R506 E507 | R506-R510 WeakPolarHBondContact O-CB 3.32Å; R506-R510 PolarHBondContact O-N 3.14Å; E507-R510 VanDerWaalsContact CD-NE 3.3Å; E507-R510 WeakPolarHBondContact O-CB 3.38Å; E507-R510 PolarHBondContact O-N 3.29Å; E507-R510 IonicContact OE1-CZ 3.87Å; E507-R510 VanDerWaalsContact OE1-CZ 3.29Å; E507-R510 IonicContact OE1-NE 3.25Å; E507-R510 PolarHBondContact OE1-NE 3.42Å; E507-R510 VanDerWaalsContact OE1-NE 3.12Å; E507-R510 IonicContact OE1-NH2 3.31Å; E507-R510 PolarHBondContact OE1-NH2 3.48Å; E507-R510 IonicContact OE2-CZ 2.54Å; E507-R510 IonicContact OE2-NE 3.57Å; E507-R510 PolarHBondContact OE2-NE 2.96Å; E507-R510 IonicContact OE2-NH2 3.94Å |
| 511 | L | 93.3 | Very high | 96.6 | Very high | 43 Ų | 43 | 45.7 Ų | 45.7 | 23% | 0.225 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -71.6 | -38.7 | 179.7 | -71.8 | 168.7 | 0 | 0 | 0 | 112.2 | L480 A482 H485 E507 A508 | L480-L511 HydrophobicContact CB-CD2 4.33Å; L480-L511 HydrophobicContact CD2-CD2 3.99Å; A482-L511 HydrophobicContact CB-CB 3.92Å; H485-L511 WeakPolarHBondContact CD2-CD1 3.34Å; E507-L511 HydrophobicContact CG-CD1 4.1Å; E507-L511 WeakPolarHBondContact O-CB 3.43Å; E507-L511 WeakPolarHBondContact O-CG 3.06Å; E507-L511 PolarHBondContact O-N 3.48Å; A508-L511 PolarHBondContact O-N 3.13Å |
| 512 | H | 93.1 | Very high | 96.6 | Very high | 48 Ų | 48 | 45.8 Ų | 45.8 | 22% | 0.222 | 21% | 0.211 | C | C | . | . | trans | -129.8 | 91.1 | 175 | -169.2 | 58.6 | 0 | 0 | 0 | 110.9 | M340 A482 A508 V509 N514 Y515 | M340-H512 HydrophobicContact SD-CB 4.39Å; A482-H512 HydrophobicContact CB-CB 3.55Å; A508-H512 PolarHBondContact O-N 2.9Å; V509-H512 CarbonylContact O-C 3.13Å; H512-N514 PolarHBondContact O-N 2.88Å; H512-Y515 PolarHBondContact CD2-N 2.98Å; H512-Y515 WeakPolarHBondContact O-CB 3.5Å; H512-Y515 PolarHBondContact O-N 3.46Å | ||
| 513 | P | 94.1 | Very high | 96.6 | Very high | 64 Ų | 64 | 45.3 Ų | 45.3 | 42% | 0.416 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -5.2 | -175.3 | -27.2 | 36.5 | 0 | 0 | 0 | 116.5 | V509 M519 K541 | V509-P513 WeakPolarHBondContact O-CA 3.39Å; V509-P513 VanDerWaalsContact O-N 3.12Å; P513-M519 WeakPolarHBondContact O-CE 3.46Å; P513-K541 WeakPolarHBondContact O-CE 3.37Å; P513-K541 PolarHBondContact O-NZ 2.96Å |
| 514 | N | 93.9 | Very high | 96.5 | Very high | 84 Ų | 84 | 40 Ų | 40 | 45% | 0.449 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.7 | 13.7 | 176.8 | -69 | -10.8 | 0 | 0 | 0 | 112.1 | H512 V516 V545 | H512-N514 PolarHBondContact O-N 2.88Å; N514-V516 WeakPolarHBondContact O-CG1 3.43Å; N514-V516 PolarHBondContact O-N 2.93Å; N514-V545 HydrophobicContact CB-CG1 4Å; N514-V545 HydrophobicContact CB-CG2 4.38Å |
| 515 | Y | 94.9 | Very high | 96.5 | Very high | 18 Ų | 18 | 37.4 Ų | 37.4 | 7% | 0.071 | 18% | 0.178 | C | C | . | . | trans | -75.7 | 83.7 | -178.1 | -158.1 | 173.8 | 0 | 0 | 0 | 112.6 | M340 A482 K483 Y486 A508 H512 H517 A518 M519 | M340-Y515 HydrophobicContact CE-CD1 4.48Å; M340-Y515 HydrophobicContact CE-CD2 4.19Å; M340-Y515 HydrophobicContact CE-CE1 4.18Å; M340-Y515 HydrophobicContact CE-CE2 3.87Å; M340-Y515 HydrophobicContact CE-CG 4.49Å; M340-Y515 HydrophobicContact SD-CE1 4.48Å; A482-Y515 HydrophobicContact CB-CD1 4.08Å; A482-Y515 HydrophobicContact CB-CE1 4.4Å; K483-Y515 HydrophobicContact CB-CE1 4.49Å; Y486-Y515 HydrophobicContact CD1-CE1 4.42Å; Y486-Y515 AromaticContact CD1-CZ 4Å; Y486-Y515 VanDerWaalsContact CD1-OH 3.26Å; Y486-Y515 WeakPolarHBondContact CD1-OH 3.4Å; Y486-Y515 HydrophobicContact CD2-CE1 4.45Å; Y486-Y515 AromaticContact CG-CE1 3.89Å; Y486-Y515 HydrophobicContact CG-CE1 3.89Å; Y486-Y515 AromaticContact CG-CZ 3.84Å; A508-Y515 HydrophobicContact CB-CD1 4.36Å; H512-Y515 PolarHBondContact CD2-N 2.98Å; H512-Y515 WeakPolarHBondContact O-CB 3.5Å; H512-Y515 PolarHBondContact O-N 3.46Å; Y515-H517 VanDerWaalsContact C-N 3.3Å; Y515-H517 HydrophobicContact CD2-CB 4.24Å; Y515-H517 HydrophobicContact CE2-CB 3.91Å; Y515-H517 PolarHBondContact O-N 2.86Å; Y515-A518 HydrophobicContact CD1-CB 3.83Å; Y515-A518 HydrophobicContact CD2-CB 4.48Å; Y515-A518 HydrophobicContact CE1-CB 4.39Å; Y515-A518 HydrophobicContact CG-CB 3.88Å; Y515-A518 PolarHBondContact O-N 3.3Å; Y515-A518 VanDerWaalsContact O-N 3.11Å; Y515-M519 WeakPolarHBondContact O-CG 3.32Å; Y515-M519 PolarHBondContact O-N 2.77Å | ||
| 516 | V | 95.9 | Very high | 96.5 | Very high | 7 Ų | 7 | 37.2 Ų | 37.2 | 4% | 0.042 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.9 | -33.7 | -172.3 | -57.1 | 0 | 0 | 0 | 0 | 114.3 | N514 M519 N520 A542 V545 Q546 F549 | N514-V516 WeakPolarHBondContact O-CG1 3.43Å; N514-V516 PolarHBondContact O-N 2.93Å; V516-M519 PolarHBondContact O-N 2.94Å; V516-N520 WeakPolarHBondContact O-CB 3.18Å; V516-N520 PolarHBondContact O-N 3.5Å; V516-A542 HydrophobicContact CB-CB 4.18Å; V516-A542 HydrophobicContact CG1-CB 4.37Å; V516-A542 WeakPolarHBondContact CG1-O 3.32Å; V516-V545 HydrophobicContact CG1-CB 3.77Å; V516-V545 HydrophobicContact CG1-CG1 3.63Å; V516-Q546 HydrophobicContact CB-CB 4.49Å; V516-Q546 HydrophobicContact CG1-CB 3.91Å; V516-Q546 HydrophobicContact CG2-CB 4.22Å; V516-Q546 VanDerWaalsContact CG2-OE1 3.28Å; V516-F549 HydrophobicContact CB-CD1 4.1Å; V516-F549 HydrophobicContact CB-CE1 4.39Å; V516-F549 HydrophobicContact CG2-CD1 3.96Å; V516-F549 HydrophobicContact CG2-CE1 4.23Å |
| 517 | H | 95.9 | Very high | 96.4 | Very high | 80 Ų | 80 | 34.5 Ų | 34.5 | 37% | 0.37 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -68.1 | -40 | 177.4 | -61.8 | -51.5 | 0 | 0 | 0 | 112.3 | Y486 Y515 N520 N521 F549 | Y486-H517 HydrophobicContact CE2-CB 4.05Å; Y515-H517 VanDerWaalsContact C-N 3.3Å; Y515-H517 HydrophobicContact CD2-CB 4.24Å; Y515-H517 HydrophobicContact CE2-CB 3.91Å; Y515-H517 PolarHBondContact O-N 2.86Å; H517-N520 PolarHBondContact O-N 3.32Å; H517-N521 PolarHBondContact O-N 3.08Å; H517-N521 VanDerWaalsContact O-N 3.09Å; H517-F549 AromaticContact ND1-CE1 3.8Å; H517-F549 AromaticContact ND1-CZ 3.54Å |
| 518 | A | 96.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.7 | -42.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y486 A508 V509 Y515 N520 N521 L522 | Y486-A518 HydrophobicContact CD2-CB 3.77Å; A508-A518 HydrophobicContact CB-CB 4.09Å; V509-A518 HydrophobicContact CG2-CB 3.87Å; Y515-A518 HydrophobicContact CD1-CB 3.83Å; Y515-A518 HydrophobicContact CD2-CB 4.48Å; Y515-A518 HydrophobicContact CE1-CB 4.39Å; Y515-A518 HydrophobicContact CG-CB 3.88Å; Y515-A518 PolarHBondContact O-N 3.3Å; Y515-A518 VanDerWaalsContact O-N 3.11Å; A518-N520 PolarHBondContact O-N 2.95Å; A518-N521 PolarHBondContact O-N 3.49Å; A518-L522 WeakPolarHBondContact O-CB 3.45Å; A518-L522 PolarHBondContact O-N 2.86Å |
| 519 | M | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.1 | -44.9 | 174.7 | -66.8 | 174.9 | -177.1 | 0 | 0 | 112.3 | V509 P513 Y515 V516 G523 L538 K541 A542 | V509-M519 HydrophobicContact CG1-CE 4.2Å; V509-M519 HydrophobicContact CG1-CG 4.42Å; V509-M519 HydrophobicContact CG2-CG 3.93Å; P513-M519 WeakPolarHBondContact O-CE 3.46Å; Y515-M519 WeakPolarHBondContact O-CG 3.32Å; Y515-M519 PolarHBondContact O-N 2.77Å; V516-M519 PolarHBondContact O-N 2.94Å; M519-G523 PolarHBondContact O-N 3.12Å; M519-L538 HydrophobicContact CB-CB 4.4Å; M519-L538 HydrophobicContact CG-CD2 4.21Å; M519-K541 HydrophobicContact CE-CD 3.67Å; M519-K541 HydrophobicContact CE-CG 4.03Å; M519-K541 HydrophobicContact SD-CB 4.24Å; M519-K541 HydrophobicContact SD-CD 4.35Å; M519-K541 HydrophobicContact SD-CG 4.19Å; M519-A542 HydrophobicContact CB-CB 4.03Å; M519-A542 HydrophobicContact SD-CB 4.01Å |
| 520 | N | 98.1 | Very high | 96.1 | Very high | 14 Ų | 14 | 46.1 Ų | 46.1 | 8% | 0.075 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.8 | -46.8 | 179.7 | 175 | 82.3 | 0 | 0 | 0 | 112 | V516 H517 A518 G523 N524 L539 F549 A552 N555 | V516-N520 WeakPolarHBondContact O-CB 3.18Å; V516-N520 PolarHBondContact O-N 3.5Å; H517-N520 PolarHBondContact O-N 3.32Å; A518-N520 PolarHBondContact O-N 2.95Å; N520-G523 PolarHBondContact O-N 3.37Å; N520-N524 PolarHBondContact O-N 3.25Å; N520-L539 HydrophobicContact CB-CD2 4.45Å; N520-F549 HydrophobicContact CB-CE1 3.68Å; N520-F549 HydrophobicContact CB-CZ 4.02Å; N520-A552 WeakPolarHBondContact OD1-CA 3.28Å; N520-N555 PolarHBondContact OD1-ND2 3.35Å |
| 521 | N | 98.1 | Very high | 96.1 | Very high | 40 Ų | 40 | 43 Ų | 43 | 21% | 0.214 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -69.5 | -39.6 | -179.7 | -69.1 | 2.5 | 0 | 0 | 0 | 111.7 | Y486 Y505 H517 A518 N524 I525 | Y486-N521 WeakPolarHBondContact CE2-ND2 3.33Å; Y486-N521 PolarHBondContact OH-ND2 2.95Å; Y505-N521 HydrophobicContact CE1-CB 4.14Å; Y505-N521 HydrophobicContact CE2-CB 3.95Å; Y505-N521 PolarHBondContact OH-ND2 3.18Å; H517-N521 PolarHBondContact O-N 3.08Å; H517-N521 VanDerWaalsContact O-N 3.09Å; A518-N521 PolarHBondContact O-N 3.49Å; N521-N524 PolarHBondContact O-N 3.35Å; N521-I525 PolarHBondContact O-N 2.9Å |
| 522 | L | 98.3 | Very high | 96.3 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.6 | -48.2 | 173.2 | -180 | 54.6 | 0 | 0 | 0 | 111.2 | V502 Y505 R506 A518 N524 I525 L526 L538 | V502-L522 HydrophobicContact CB-CD1 4.26Å; V502-L522 HydrophobicContact CG1-CD1 3.97Å; V502-L522 HydrophobicContact CG2-CD1 4.04Å; Y505-L522 HydrophobicContact CD2-CB 4.48Å; Y505-L522 HydrophobicContact CG-CB 4.46Å; R506-L522 HydrophobicContact CG-CD1 4.39Å; R506-L522 HydrophobicContact CG-CD2 3.77Å; A518-L522 WeakPolarHBondContact O-CB 3.45Å; A518-L522 PolarHBondContact O-N 2.86Å; L522-N524 VanDerWaalsContact C-N 3.27Å; L522-N524 PolarHBondContact O-N 3.32Å; L522-I525 PolarHBondContact O-N 3.02Å; L522-I525 VanDerWaalsContact O-N 3.15Å; L522-L526 HydrophobicContact CD1-CD1 3.97Å; L522-L526 HydrophobicContact CD1-CD2 4.47Å; L522-L526 HydrophobicContact CD1-CG 3.98Å; L522-L526 HydrophobicContact CG-CD1 3.82Å; L522-L526 HydrophobicContact CG-CG 4.29Å; L522-L526 WeakPolarHBondContact O-CG 3.27Å; L522-L526 PolarHBondContact O-N 3.28Å; L522-L538 HydrophobicContact CB-CD1 4.37Å; L522-L538 HydrophobicContact CD2-CD1 3.58Å; L522-L538 HydrophobicContact CG-CD1 3.72Å |
| 523 | G | 97.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59 | -37.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | M519 N520 K527 A535 | M519-G523 PolarHBondContact O-N 3.12Å; N520-G523 PolarHBondContact O-N 3.37Å; G523-K527 VanDerWaalsContact O-CB 3.32Å; G523-K527 WeakPolarHBondContact O-CB 3.41Å; G523-K527 PolarHBondContact O-N 2.61Å; G523-A535 WeakPolarHBondContact O-CB 3.42Å |
| 524 | N | 96.6 | Very high | 96.7 | Very high | 45 Ų | 45 | 43 Ų | 43 | 24% | 0.241 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.9 | -42.8 | 175.3 | -171.6 | 58 | 0 | 0 | 0 | 112.7 | N520 N521 L522 K527 E528 | N520-N524 PolarHBondContact O-N 3.25Å; N521-N524 PolarHBondContact O-N 3.35Å; L522-N524 VanDerWaalsContact C-N 3.27Å; L522-N524 PolarHBondContact O-N 3.32Å; N524-K527 WeakPolarHBondContact O-CB 3.48Å; N524-K527 PolarHBondContact O-N 3.48Å; N524-K527 PolarHBondContact OD1-NZ 3.06Å; N524-E528 PolarHBondContact ND2-OE1 3.49Å; N524-E528 VanDerWaalsContact ND2-OE1 3.12Å; N524-E528 WeakPolarHBondContact O-CG 3.43Å; N524-E528 PolarHBondContact O-N 3.18Å |
| 525 | I | 97.2 | Very high | 96.9 | Very high | 10 Ų | 10 | 39 Ų | 39 | 5% | 0.051 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -67.5 | -44.3 | 177.3 | -65.2 | 174.4 | 0 | 0 | 0 | 110.8 | A493 T498 A501 V502 Y505 N521 L522 K527 E528 Q529 | A493-I525 HydrophobicContact CB-CD1 4.05Å; T498-I525 HydrophobicContact CG2-CG2 4.42Å; A501-I525 HydrophobicContact CB-CD1 4.15Å; V502-I525 HydrophobicContact CG2-CB 4.37Å; V502-I525 HydrophobicContact CG2-CG2 3.6Å; Y505-I525 HydrophobicContact CD2-CD1 4.08Å; Y505-I525 HydrophobicContact CE2-CD1 3.69Å; N521-I525 PolarHBondContact O-N 2.9Å; L522-I525 PolarHBondContact O-N 3.02Å; L522-I525 VanDerWaalsContact O-N 3.15Å; I525-K527 VanDerWaalsContact C-N 3.28Å; I525-K527 PolarHBondContact O-N 3.39Å; I525-E528 WeakPolarHBondContact O-CB 3.46Å; I525-E528 PolarHBondContact O-N 3.12Å; I525-E528 VanDerWaalsContact O-N 3.07Å; I525-Q529 HydrophobicContact CG2-CG 4.46Å; I525-Q529 WeakPolarHBondContact O-CG 3.25Å; I525-Q529 PolarHBondContact O-N 3.18Å |
| 526 | L | 97.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.8 | -38.2 | 178.2 | -69.7 | 173.1 | 0 | 0 | 0 | 111.7 | L522 E528 Q529 N530 E531 E534 A535 L538 | L522-L526 HydrophobicContact CD1-CD1 3.97Å; L522-L526 HydrophobicContact CD1-CD2 4.47Å; L522-L526 HydrophobicContact CD1-CG 3.98Å; L522-L526 HydrophobicContact CG-CD1 3.82Å; L522-L526 HydrophobicContact CG-CG 4.29Å; L522-L526 WeakPolarHBondContact O-CG 3.27Å; L522-L526 PolarHBondContact O-N 3.28Å; L526-E528 PolarHBondContact O-N 2.69Å; L526-Q529 CarbonylContact O-C 3.41Å; L526-Q529 PolarHBondContact O-N 3.38Å; L526-Q529 VanDerWaalsContact O-N 3.16Å; L526-N530 PolarHBondContact O-N 3.09Å; L526-N530 VanDerWaalsContact O-N 3.1Å; L526-E531 HydrophobicContact CB-CB 4.12Å; L526-E531 HydrophobicContact CD2-CB 4.02Å; L526-E531 HydrophobicContact CD2-CG 4.46Å; L526-E531 PolarHBondContact O-N 2.96Å; L526-E534 HydrophobicContact CD1-CB 4.05Å; L526-E534 HydrophobicContact CD1-CG 3.7Å; L526-A535 HydrophobicContact CB-CB 4Å; L526-L538 HydrophobicContact CD1-CD1 3.66Å |
| 527 | K | 95.9 | Very high | 97.2 | Very high | 47 Ų | 47 | 45.8 Ų | 45.8 | 20% | 0.204 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58.2 | -45.8 | 171.3 | 175.6 | -144.3 | 71.2 | -169.6 | 0 | 111.7 | G523 N524 I525 Q529 N530 L532 I558 V559 | G523-K527 VanDerWaalsContact O-CB 3.32Å; G523-K527 WeakPolarHBondContact O-CB 3.41Å; G523-K527 PolarHBondContact O-N 2.61Å; N524-K527 WeakPolarHBondContact O-CB 3.48Å; N524-K527 PolarHBondContact O-N 3.48Å; N524-K527 PolarHBondContact OD1-NZ 3.06Å; I525-K527 VanDerWaalsContact C-N 3.28Å; I525-K527 PolarHBondContact O-N 3.39Å; K527-Q529 VanDerWaalsContact C-N 3.25Å; K527-Q529 PolarHBondContact O-N 3.2Å; K527-N530 PolarHBondContact O-N 3Å; K527-N530 VanDerWaalsContact O-N 3.08Å; K527-L532 HydrophobicContact CG-CD2 4.21Å; K527-I558 HydrophobicContact CD-CG2 3.8Å; K527-V559 HydrophobicContact CB-CG2 3.94Å; K527-V559 HydrophobicContact CD-CG2 4.4Å; K527-V559 HydrophobicContact CG-CG2 3.91Å |
| 528 | E | 94.6 | Very high | 97.3 | Very high | 123 Ų | 123 | 43 Ų | 43 | 58% | 0.575 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -65.6 | -28.9 | 177 | -70.9 | 166.3 | -164.7 | 0 | 0 | 112.6 | N524 I525 L526 N530 | N524-E528 PolarHBondContact ND2-OE1 3.49Å; N524-E528 VanDerWaalsContact ND2-OE1 3.12Å; N524-E528 WeakPolarHBondContact O-CG 3.43Å; N524-E528 PolarHBondContact O-N 3.18Å; I525-E528 WeakPolarHBondContact O-CB 3.46Å; I525-E528 PolarHBondContact O-N 3.12Å; I525-E528 VanDerWaalsContact O-N 3.07Å; L526-E528 PolarHBondContact O-N 2.69Å; E528-N530 VanDerWaalsContact C-N 3.27Å |
| 529 | Q | 95.3 | Very high | 97.4 | Very high | 71 Ų | 71 | 43 Ų | 43 | 33% | 0.332 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | 3.1 | 173.3 | -68.1 | 174.7 | -17 | 0 | 0 | 113.7 | I525 L526 K527 E531 | I525-Q529 HydrophobicContact CG2-CG 4.46Å; I525-Q529 WeakPolarHBondContact O-CG 3.25Å; I525-Q529 PolarHBondContact O-N 3.18Å; L526-Q529 CarbonylContact O-C 3.41Å; L526-Q529 PolarHBondContact O-N 3.38Å; L526-Q529 VanDerWaalsContact O-N 3.16Å; K527-Q529 VanDerWaalsContact C-N 3.25Å; K527-Q529 PolarHBondContact O-N 3.2Å; Q529-E531 HydrophobicContact CB-CG 4.47Å; Q529-E531 PolarHBondContact O-N 3.46Å |
| 530 | N | 95.3 | Very high | 97.4 | Very high | 124 Ų | 124 | 45.1 Ų | 45.1 | 66% | 0.663 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.8 | 18.7 | -176 | -159.9 | 54.2 | 0 | 0 | 0 | 114.7 | L526 K527 E528 L532 | L526-N530 PolarHBondContact O-N 3.09Å; L526-N530 VanDerWaalsContact O-N 3.1Å; K527-N530 PolarHBondContact O-N 3Å; K527-N530 VanDerWaalsContact O-N 3.08Å; E528-N530 VanDerWaalsContact C-N 3.27Å; N530-L532 PolarHBondContact O-N 3.45Å |
| 531 | E | 97.2 | Very high | 97.4 | Very high | 83 Ų | 83 | 48.6 Ų | 48.6 | 39% | 0.388 | 25% | 0.247 | S | C | . | . | trans | -84.2 | 58.6 | 171.7 | -66.9 | -173.1 | -125.9 | 0 | 0 | 110.5 | R506 L526 Q529 S533 A535 | R506-E531 IonicContact NH2-OE2 2.68Å; L526-E531 HydrophobicContact CB-CB 4.12Å; L526-E531 HydrophobicContact CD2-CB 4.02Å; L526-E531 HydrophobicContact CD2-CG 4.46Å; L526-E531 PolarHBondContact O-N 2.96Å; Q529-E531 HydrophobicContact CB-CG 4.47Å; Q529-E531 PolarHBondContact O-N 3.46Å; E531-S533 PolarHBondContact O-N 3.47Å; E531-A535 PolarHBondContact O-N 3.08Å | ||
| 532 | L | 97.6 | Very high | 97.3 | Very high | 22 Ų | 22 | 46.7 Ų | 46.7 | 12% | 0.115 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.4 | -33.9 | -167.4 | -60.5 | 178.5 | 0 | 0 | 0 | 114.1 | K527 N530 A535 E536 V559 L563 | K527-L532 HydrophobicContact CG-CD2 4.21Å; N530-L532 PolarHBondContact O-N 3.45Å; L532-A535 PolarHBondContact O-N 3.1Å; L532-E536 WeakPolarHBondContact O-CB 3.39Å; L532-E536 PolarHBondContact O-N 3.3Å; L532-V559 HydrophobicContact CB-CG1 4.34Å; L532-V559 HydrophobicContact CD2-CG1 4.47Å; L532-V559 VanDerWaalsContact O-CG1 3.3Å; L532-V559 WeakPolarHBondContact O-CG1 3.36Å; L532-L563 HydrophobicContact CB-CD1 4.32Å; L532-L563 HydrophobicContact CB-CD2 3.67Å; L532-L563 HydrophobicContact CB-CG 3.94Å; L532-L563 HydrophobicContact CD1-CD2 3.98Å; L532-L563 HydrophobicContact CD1-CG 4.23Å |
| 533 | S | 97.4 | Very high | 97.3 | Very high | 76 Ų | 76 | 47 Ų | 47 | 53% | 0.531 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -68 | -44.3 | -177.8 | -57 | 0 | 0 | 0 | 0 | 113 | E531 E536 Q537 | E531-S533 PolarHBondContact O-N 3.47Å; S533-E536 PolarHBondContact O-N 3.41Å; S533-Q537 WeakPolarHBondContact O-CG 3.39Å; S533-Q537 PolarHBondContact O-N 3.22Å |
| 534 | E | 97.5 | Very high | 97.3 | Very high | 57 Ų | 57 | 50.7 Ų | 50.7 | 27% | 0.266 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -68 | -40 | 175.9 | -174 | -176.4 | 169.7 | 0 | 0 | 110.2 | R506 L526 E536 Q537 L538 | R506-E534 IonicContact CZ-OE1 3.31Å; R506-E534 IonicContact CZ-OE2 3.68Å; R506-E534 IonicContact NE-OE1 2.97Å; R506-E534 PolarHBondContact NE-OE1 3.23Å; R506-E534 IonicContact NH2-OE1 3.14Å; R506-E534 PolarHBondContact NH2-OE1 3.23Å; R506-E534 IonicContact NH2-OE2 3.92Å; R506-E534 PolarHBondContact NH2-OE2 2.75Å; L526-E534 HydrophobicContact CD1-CB 4.05Å; L526-E534 HydrophobicContact CD1-CG 3.7Å; E534-E536 VanDerWaalsContact C-N 3.35Å; E534-E536 PolarHBondContact O-N 3.16Å; E534-Q537 PolarHBondContact O-N 3.07Å; E534-L538 HydrophobicContact CG-CD1 3.96Å; E534-L538 HydrophobicContact CG-CG 4.45Å; E534-L538 WeakPolarHBondContact O-CG 3.46Å; E534-L538 PolarHBondContact O-N 3.38Å |
| 535 | A | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.1 | -45.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | G523 L526 E531 L532 L538 L539 V559 | G523-A535 WeakPolarHBondContact O-CB 3.42Å; L526-A535 HydrophobicContact CB-CB 4Å; E531-A535 PolarHBondContact O-N 3.08Å; L532-A535 PolarHBondContact O-N 3.1Å; A535-L538 PolarHBondContact O-N 2.95Å; A535-L539 WeakPolarHBondContact O-CB 3.49Å; A535-L539 WeakPolarHBondContact O-CD1 3.5Å; A535-L539 VanDerWaalsContact O-CG 3.27Å; A535-L539 WeakPolarHBondContact O-CG 3.35Å; A535-L539 PolarHBondContact O-N 3.15Å; A535-V559 HydrophobicContact CB-CG1 4.21Å; A535-V559 HydrophobicContact CB-CG2 4.02Å |
| 536 | E | 98.4 | Very high | 97.2 | Very high | 29 Ų | 29 | 54.1 Ų | 54.1 | 14% | 0.136 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.4 | -44.7 | 177 | -173.2 | -176.3 | -154.6 | 0 | 0 | 111.5 | L532 S533 E534 L539 S540 L556 V559 Q560 L563 K565 | L532-E536 WeakPolarHBondContact O-CB 3.39Å; L532-E536 PolarHBondContact O-N 3.3Å; S533-E536 PolarHBondContact O-N 3.41Å; E534-E536 VanDerWaalsContact C-N 3.35Å; E534-E536 PolarHBondContact O-N 3.16Å; E536-L539 PolarHBondContact O-N 3.32Å; E536-S540 WeakPolarHBondContact O-CB 3.32Å; E536-S540 PolarHBondContact O-N 3.49Å; E536-S540 PolarHBondContact O-OG 2.91Å; E536-L556 HydrophobicContact CG-CD1 3.98Å; E536-V559 HydrophobicContact CB-CG1 3.85Å; E536-Q560 HydrophobicContact CG-CG 4.46Å; E536-L563 HydrophobicContact CB-CD1 4.15Å; E536-L563 HydrophobicContact CG-CD1 4.42Å; E536-L563 WeakPolarHBondContact OE2-CD1 3.13Å; E536-K565 VanDerWaalsContact OE1-CD 3.27Å; E536-K565 WeakPolarHBondContact OE1-CD 3.37Å; E536-K565 IonicContact OE1-NZ 2.68Å; E536-K565 PolarHBondContact OE1-NZ 2.96Å; E536-K565 IonicContact OE2-NZ 2.74Å; E536-K565 PolarHBondContact OE2-NZ 3.48Å |
| 537 | Q | 98.1 | Very high | 97.2 | Very high | 138 Ų | 138 | 56.9 Ų | 56.9 | 65% | 0.645 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -61.5 | -46.9 | 179 | -71.6 | 175.4 | 11.3 | 0 | 0 | 111.9 | S533 E534 K541 | S533-Q537 WeakPolarHBondContact O-CG 3.39Å; S533-Q537 PolarHBondContact O-N 3.22Å; E534-Q537 PolarHBondContact O-N 3.07Å; Q537-K541 WeakPolarHBondContact O-CB 3.49Å; Q537-K541 PolarHBondContact O-N 2.85Å |
| 538 | L | 98.3 | Very high | 97.1 | Very high | 23 Ų | 23 | 59.2 Ų | 59.2 | 12% | 0.12 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.2 | -45.3 | 179.4 | -72.7 | 166.3 | 0 | 0 | 0 | 111.9 | V509 M519 L522 L526 E534 A535 K541 A542 | V509-L538 HydrophobicContact CG1-CD2 4.38Å; M519-L538 HydrophobicContact CB-CB 4.4Å; M519-L538 HydrophobicContact CG-CD2 4.21Å; L522-L538 HydrophobicContact CB-CD1 4.37Å; L522-L538 HydrophobicContact CD2-CD1 3.58Å; L522-L538 HydrophobicContact CG-CD1 3.72Å; L526-L538 HydrophobicContact CD1-CD1 3.66Å; E534-L538 HydrophobicContact CG-CD1 3.96Å; E534-L538 HydrophobicContact CG-CG 4.45Å; E534-L538 WeakPolarHBondContact O-CG 3.46Å; E534-L538 PolarHBondContact O-N 3.38Å; A535-L538 PolarHBondContact O-N 2.95Å; L538-K541 PolarHBondContact O-N 2.9Å; L538-A542 WeakPolarHBondContact O-CB 3.19Å; L538-A542 PolarHBondContact O-N 3.06Å |
| 539 | L | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -69.9 | -38.6 | -179.4 | -70.9 | 165.1 | 0 | 0 | 0 | 111.9 | N520 A535 E536 K541 A542 V543 A552 N555 L556 V559 | N520-L539 HydrophobicContact CB-CD2 4.45Å; A535-L539 WeakPolarHBondContact O-CB 3.49Å; A535-L539 WeakPolarHBondContact O-CD1 3.5Å; A535-L539 VanDerWaalsContact O-CG 3.27Å; A535-L539 WeakPolarHBondContact O-CG 3.35Å; A535-L539 PolarHBondContact O-N 3.15Å; E536-L539 PolarHBondContact O-N 3.32Å; L539-K541 VanDerWaalsContact C-N 3.31Å; L539-K541 PolarHBondContact O-N 2.81Å; L539-A542 WeakPolarHBondContact O-CB 3.49Å; L539-A542 PolarHBondContact O-N 2.91Å; L539-V543 WeakPolarHBondContact O-CG2 3.12Å; L539-V543 PolarHBondContact O-N 2.91Å; L539-A552 HydrophobicContact CD2-CB 4.46Å; L539-N555 HydrophobicContact CD1-CB 3.98Å; L539-N555 HydrophobicContact CD2-CB 3.84Å; L539-L556 HydrophobicContact CB-CB 4Å; L539-L556 HydrophobicContact CB-CD1 3.92Å; L539-L556 HydrophobicContact CB-CG 4.48Å; L539-V559 HydrophobicContact CD1-CG2 3.82Å |
| 540 | S | 98.4 | Very high | 97.2 | Very high | 44 Ų | 44 | 51.9 Ų | 51.9 | 31% | 0.308 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61 | -41.8 | 173.3 | -60.2 | 0 | 0 | 0 | 0 | 111.2 | E536 V543 A544 L556 | E536-S540 WeakPolarHBondContact O-CB 3.32Å; E536-S540 PolarHBondContact O-N 3.49Å; E536-S540 PolarHBondContact O-OG 2.91Å; S540-V543 VanDerWaalsContact O-CG2 3.25Å; S540-V543 WeakPolarHBondContact O-CG2 3.28Å; S540-A544 WeakPolarHBondContact O-CB 3.34Å; S540-A544 PolarHBondContact O-N 2.97Å; S540-A544 VanDerWaalsContact O-N 3.09Å; S540-L556 WeakPolarHBondContact OG-CD1 3.47Å |
| 541 | K | 98.1 | Very high | 97.3 | Very high | 87 Ų | 87 | 47 Ų | 47 | 38% | 0.378 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65.5 | -41.6 | 173.7 | -170.8 | 175.9 | -176.8 | -170.4 | 0 | 111.8 | P513 M519 Q537 L538 L539 V543 A544 V545 | P513-K541 WeakPolarHBondContact O-CE 3.37Å; P513-K541 PolarHBondContact O-NZ 2.96Å; M519-K541 HydrophobicContact CE-CD 3.67Å; M519-K541 HydrophobicContact CE-CG 4.03Å; M519-K541 HydrophobicContact SD-CB 4.24Å; M519-K541 HydrophobicContact SD-CD 4.35Å; M519-K541 HydrophobicContact SD-CG 4.19Å; Q537-K541 WeakPolarHBondContact O-CB 3.49Å; Q537-K541 PolarHBondContact O-N 2.85Å; L538-K541 PolarHBondContact O-N 2.9Å; L539-K541 VanDerWaalsContact C-N 3.31Å; L539-K541 PolarHBondContact O-N 2.81Å; K541-V543 PolarHBondContact O-N 3.4Å; K541-A544 PolarHBondContact O-N 3.47Å; K541-V545 HydrophobicContact CG-CG2 4.41Å; K541-V545 WeakPolarHBondContact O-CG2 3.43Å; K541-V545 PolarHBondContact O-N 3.44Å |
| 542 | A | 97.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.6 | -44.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112 | V516 M519 L538 L539 V545 Q546 A552 | V516-A542 HydrophobicContact CB-CB 4.18Å; V516-A542 HydrophobicContact CG1-CB 4.37Å; V516-A542 WeakPolarHBondContact CG1-O 3.32Å; M519-A542 HydrophobicContact CB-CB 4.03Å; M519-A542 HydrophobicContact SD-CB 4.01Å; L538-A542 WeakPolarHBondContact O-CB 3.19Å; L538-A542 PolarHBondContact O-N 3.06Å; L539-A542 WeakPolarHBondContact O-CB 3.49Å; L539-A542 PolarHBondContact O-N 2.91Å; A542-V545 PolarHBondContact O-N 3.11Å; A542-Q546 PolarHBondContact O-N 3.21Å; A542-A552 HydrophobicContact CB-CB 4.22Å |
| 543 | V | 97.9 | Very high | 97.4 | Very high | 8 Ų | 8 | 43.8 Ų | 43.8 | 5% | 0.048 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -74.4 | -26.1 | 178.5 | -59.6 | 0 | 0 | 0 | 0 | 113.3 | L539 S540 K541 Q546 P547 A552 W553 L556 | L539-V543 WeakPolarHBondContact O-CG2 3.12Å; L539-V543 PolarHBondContact O-N 2.91Å; S540-V543 VanDerWaalsContact O-CG2 3.25Å; S540-V543 WeakPolarHBondContact O-CG2 3.28Å; K541-V543 PolarHBondContact O-N 3.4Å; V543-Q546 CarbonylContact O-C 3.2Å; V543-P547 WeakPolarHBondContact O-CA 3.16Å; V543-A552 HydrophobicContact CG1-CB 3.74Å; V543-W553 HydrophobicContact CB-CD2 3.86Å; V543-W553 HydrophobicContact CB-CE3 4.24Å; V543-W553 HydrophobicContact CB-CG 4.4Å; V543-W553 HydrophobicContact CB-CH2 4.06Å; V543-W553 HydrophobicContact CB-CZ2 3.64Å; V543-W553 HydrophobicContact CB-CZ3 4.34Å; V543-W553 HydrophobicContact CG1-CB 4.38Å; V543-W553 HydrophobicContact CG1-CD2 3.57Å; V543-W553 HydrophobicContact CG1-CE3 4.02Å; V543-W553 HydrophobicContact CG1-CG 3.72Å; V543-W553 HydrophobicContact CG1-CZ2 4.33Å; V543-W553 HydrophobicContact CG2-CD2 4.27Å; V543-W553 HydrophobicContact CG2-CE3 4.15Å; V543-W553 HydrophobicContact CG2-CH2 3.69Å; V543-W553 HydrophobicContact CG2-CZ2 3.81Å; V543-W553 HydrophobicContact CG2-CZ3 3.87Å; V543-L556 HydrophobicContact CG2-CD2 3.92Å |
| 544 | A | 97.9 | Very high | 97.5 | Very high | 78 Ų | 78 | 41 Ų | 41 | 65% | 0.645 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -69.9 | -38.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | S540 K541 | S540-A544 WeakPolarHBondContact O-CB 3.34Å; S540-A544 PolarHBondContact O-N 2.97Å; S540-A544 VanDerWaalsContact O-N 3.09Å; K541-A544 PolarHBondContact O-N 3.47Å |
| 545 | V | 95.8 | Very high | 97.5 | Very high | 62 Ų | 62 | 39.2 Ų | 39.2 | 38% | 0.376 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -74 | -45 | 176.9 | 172.2 | 0 | 0 | 0 | 0 | 111.3 | N514 V516 K541 A542 | N514-V545 HydrophobicContact CB-CG1 4Å; N514-V545 HydrophobicContact CB-CG2 4.38Å; V516-V545 HydrophobicContact CG1-CB 3.77Å; V516-V545 HydrophobicContact CG1-CG1 3.63Å; K541-V545 HydrophobicContact CG-CG2 4.41Å; K541-V545 WeakPolarHBondContact O-CG2 3.43Å; K541-V545 PolarHBondContact O-N 3.44Å; A542-V545 PolarHBondContact O-N 3.11Å |
| 546 | Q | 95.8 | Very high | 97.5 | Very high | 64 Ų | 64 | 39.4 Ų | 39.4 | 30% | 0.299 | 22% | 0.219 | S | C | . | . | trans | -128.7 | 88.3 | 179.6 | -172.5 | 175.3 | -14.6 | 0 | 0 | 110.8 | V516 A542 V543 D548 F549 | V516-Q546 HydrophobicContact CB-CB 4.49Å; V516-Q546 HydrophobicContact CG1-CB 3.91Å; V516-Q546 HydrophobicContact CG2-CB 4.22Å; V516-Q546 VanDerWaalsContact CG2-OE1 3.28Å; A542-Q546 PolarHBondContact O-N 3.21Å; V543-Q546 CarbonylContact O-C 3.2Å; Q546-D548 VanDerWaalsContact C-N 3.26Å; Q546-D548 WeakPolarHBondContact CG-OD1 2.81Å; Q546-D548 PolarHBondContact NE2-OD1 2.93Å; Q546-D548 PolarHBondContact O-N 2.77Å; Q546-F549 HydrophobicContact CB-CB 4.28Å; Q546-F549 HydrophobicContact CG-CB 3.99Å; Q546-F549 WeakPolarHBondContact O-CB 3.41Å; Q546-F549 PolarHBondContact O-N 3.4Å | ||
| 547 | P | 96.3 | Very high | 97.5 | Very high | 58 Ų | 58 | 38 Ų | 38 | 38% | 0.377 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -30.6 | -177.2 | -26.9 | 35.8 | 0 | 0 | 0 | 114.3 | V543 F549 W553 Y579 | V543-P547 WeakPolarHBondContact O-CA 3.16Å; P547-F549 PolarHBondContact O-N 2.66Å; P547-W553 PolarHBondContact O-NE1 3.43Å; P547-Y579 WeakPolarHBondContact CB-OH 3.5Å; P547-Y579 WeakPolarHBondContact O-CD2 3.22Å; P547-Y579 WeakPolarHBondContact O-CE2 3.26Å; P547-Y579 VanDerWaalsContact O-CZ 3.29Å |
| 548 | D | 94.1 | Very high | 97.5 | Very high | 97 Ų | 97 | 32.8 Ų | 32.8 | 52% | 0.519 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | 1 | -178.8 | 71 | -14.1 | 0 | 0 | 0 | 114.4 | Q546 A550 Y579 | Q546-D548 VanDerWaalsContact C-N 3.26Å; Q546-D548 WeakPolarHBondContact CG-OD1 2.81Å; Q546-D548 PolarHBondContact NE2-OD1 2.93Å; Q546-D548 PolarHBondContact O-N 2.77Å; D548-A550 VanDerWaalsContact C-N 3.33Å; D548-A550 PolarHBondContact O-N 3.23Å; D548-Y579 HydrophobicContact CB-CD1 3.69Å; D548-Y579 HydrophobicContact CB-CE1 3.89Å; D548-Y579 HydrophobicContact CB-CG 4.3Å |
| 549 | F | 96.4 | Very high | 97.5 | Very high | 30 Ų | 30 | 31.8 Ų | 31.8 | 13% | 0.132 | 18% | 0.183 | C | C | . | . | trans | -78.5 | 78.2 | 179 | -170 | -162.2 | 0 | 0 | 0 | 112 | V516 H517 N520 Q546 P547 A551 A552 W553 | V516-F549 HydrophobicContact CB-CD1 4.1Å; V516-F549 HydrophobicContact CB-CE1 4.39Å; V516-F549 HydrophobicContact CG2-CD1 3.96Å; V516-F549 HydrophobicContact CG2-CE1 4.23Å; H517-F549 AromaticContact ND1-CE1 3.8Å; H517-F549 AromaticContact ND1-CZ 3.54Å; N520-F549 HydrophobicContact CB-CE1 3.68Å; N520-F549 HydrophobicContact CB-CZ 4.02Å; Q546-F549 HydrophobicContact CB-CB 4.28Å; Q546-F549 HydrophobicContact CG-CB 3.99Å; Q546-F549 WeakPolarHBondContact O-CB 3.41Å; Q546-F549 PolarHBondContact O-N 3.4Å; P547-F549 PolarHBondContact O-N 2.66Å; F549-A551 HydrophobicContact CD2-CB 4.23Å; F549-A551 HydrophobicContact CE2-CB 3.73Å; F549-A551 HydrophobicContact CZ-CB 4.31Å; F549-A551 PolarHBondContact O-N 2.94Å; F549-A552 HydrophobicContact CB-CB 4.37Å; F549-A552 HydrophobicContact CD1-CB 3.52Å; F549-A552 HydrophobicContact CE1-CB 3.93Å; F549-A552 HydrophobicContact CG-CB 3.97Å; F549-A552 PolarHBondContact O-N 3.43Å; F549-W553 PolarHBondContact O-N 3.34Å | ||
| 550 | A | 96.9 | Very high | 97.5 | Very high | 9 Ų | 9 | 32.5 Ų | 32.5 | 7% | 0.074 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -52.9 | -33.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | D548 W553 M554 A576 R580 Y583 | D548-A550 VanDerWaalsContact C-N 3.33Å; D548-A550 PolarHBondContact O-N 3.23Å; A550-W553 PolarHBondContact O-N 3.49Å; A550-M554 PolarHBondContact O-N 3.32Å; A550-M554 VanDerWaalsContact O-N 3.1Å; A550-A576 WeakPolarHBondContact O-CB 3.41Å; A550-R580 HydrophobicContact CB-CB 3.63Å; A550-Y583 HydrophobicContact CB-CE1 4.42Å |
| 551 | A | 97.6 | Very high | 97.5 | Very high | 23 Ų | 23 | 31.2 Ų | 31.2 | 19% | 0.19 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -68.1 | -36.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | F549 M554 N555 | F549-A551 HydrophobicContact CD2-CB 4.23Å; F549-A551 HydrophobicContact CE2-CB 3.73Å; F549-A551 HydrophobicContact CZ-CB 4.31Å; F549-A551 PolarHBondContact O-N 2.94Å; A551-M554 PolarHBondContact O-N 3.01Å; A551-N555 WeakPolarHBondContact O-CB 3.21Å; A551-N555 PolarHBondContact O-N 2.92Å; A551-N555 PolarHBondContact O-ND2 3.32Å |
| 552 | A | 97.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.2 | -39.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | N520 L539 A542 V543 F549 N555 L556 | N520-A552 WeakPolarHBondContact OD1-CA 3.28Å; L539-A552 HydrophobicContact CD2-CB 4.46Å; A542-A552 HydrophobicContact CB-CB 4.22Å; V543-A552 HydrophobicContact CG1-CB 3.74Å; F549-A552 HydrophobicContact CB-CB 4.37Å; F549-A552 HydrophobicContact CD1-CB 3.52Å; F549-A552 HydrophobicContact CE1-CB 3.93Å; F549-A552 HydrophobicContact CG-CB 3.97Å; F549-A552 PolarHBondContact O-N 3.43Å; A552-N555 PolarHBondContact O-N 3.42Å; A552-L556 WeakPolarHBondContact O-CB 2.84Å; A552-L556 PolarHBondContact O-N 2.96Å |
| 553 | W | 98.6 | Very high | 97.4 | Very high | 37 Ų | 37 | 32.7 Ų | 32.7 | 14% | 0.14 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.2 | -46 | 172.6 | -81.1 | 116.2 | 0 | 0 | 0 | 112.8 | V543 P547 F549 A550 N555 L556 G557 N575 A576 Y579 | V543-W553 HydrophobicContact CB-CD2 3.86Å; V543-W553 HydrophobicContact CB-CE3 4.24Å; V543-W553 HydrophobicContact CB-CG 4.4Å; V543-W553 HydrophobicContact CB-CH2 4.06Å; V543-W553 HydrophobicContact CB-CZ2 3.64Å; V543-W553 HydrophobicContact CB-CZ3 4.34Å; V543-W553 HydrophobicContact CG1-CB 4.38Å; V543-W553 HydrophobicContact CG1-CD2 3.57Å; V543-W553 HydrophobicContact CG1-CE3 4.02Å; V543-W553 HydrophobicContact CG1-CG 3.72Å; V543-W553 HydrophobicContact CG1-CZ2 4.33Å; V543-W553 HydrophobicContact CG2-CD2 4.27Å; V543-W553 HydrophobicContact CG2-CE3 4.15Å; V543-W553 HydrophobicContact CG2-CH2 3.69Å; V543-W553 HydrophobicContact CG2-CZ2 3.81Å; V543-W553 HydrophobicContact CG2-CZ3 3.87Å; P547-W553 PolarHBondContact O-NE1 3.43Å; F549-W553 PolarHBondContact O-N 3.34Å; A550-W553 PolarHBondContact O-N 3.49Å; W553-N555 PolarHBondContact O-N 2.91Å; W553-L556 HydrophobicContact CE3-CD2 4.07Å; W553-L556 HydrophobicContact CZ3-CD2 4Å; W553-L556 PolarHBondContact O-N 3.13Å; W553-G557 PolarHBondContact O-N 3.22Å; W553-N575 HydrophobicContact CD2-CB 3.61Å; W553-N575 HydrophobicContact CE3-CB 3.91Å; W553-N575 HydrophobicContact CG-CB 3.95Å; W553-N575 HydrophobicContact CH2-CB 4.48Å; W553-N575 HydrophobicContact CZ2-CB 4.22Å; W553-N575 HydrophobicContact CZ3-CB 4.33Å; W553-A576 HydrophobicContact CB-CB 3.67Å; W553-Y579 AromaticContact NE1-CE2 3.79Å |
| 554 | M | 98.5 | Very high | 97.3 | Very high | 18 Ų | 18 | 41.9 Ų | 41.9 | 9% | 0.089 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.8 | -45.4 | 176.9 | -175.1 | -172.4 | 71.3 | 0 | 0 | 111 | A550 A551 L556 G557 I558 Y573 A576 Y583 D585 C586 | A550-M554 PolarHBondContact O-N 3.32Å; A550-M554 VanDerWaalsContact O-N 3.1Å; A551-M554 PolarHBondContact O-N 3.01Å; M554-L556 VanDerWaalsContact C-N 3.33Å; M554-L556 PolarHBondContact O-N 3.35Å; M554-G557 PolarHBondContact O-N 3.41Å; M554-I558 HydrophobicContact CG-CD1 4.37Å; M554-I558 WeakPolarHBondContact O-CG1 3.45Å; M554-I558 PolarHBondContact O-N 3.3Å; M554-Y573 HydrophobicContact CG-CD1 4.3Å; M554-Y573 HydrophobicContact CG-CE1 4.15Å; M554-Y573 WeakPolarHBondContact O-CE1 3.09Å; M554-A576 HydrophobicContact CB-CB 4.16Å; M554-Y583 HydrophobicContact CB-CE1 4.15Å; M554-Y583 HydrophobicContact CE-CE2 4.33Å; M554-Y583 WeakPolarHBondContact CE-OH 3.27Å; M554-Y583 HydrophobicContact SD-CE1 3.92Å; M554-Y583 HydrophobicContact SD-CE2 3.83Å; M554-D585 HydrophobicContact SD-CB 4.21Å; M554-C586 HydrophobicContact CG-CB 4.19Å; M554-C586 HydrophobicContact SD-CB 3.98Å |
| 555 | N | 98.5 | Very high | 97.3 | Very high | 18 Ų | 18 | 42.4 Ų | 42.4 | 10% | 0.096 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.6 | -37.5 | 178.1 | -73.6 | -23 | 0 | 0 | 0 | 112.3 | N520 L539 A551 A552 W553 I558 V559 | N520-N555 PolarHBondContact OD1-ND2 3.35Å; L539-N555 HydrophobicContact CD1-CB 3.98Å; L539-N555 HydrophobicContact CD2-CB 3.84Å; A551-N555 WeakPolarHBondContact O-CB 3.21Å; A551-N555 PolarHBondContact O-N 2.92Å; A551-N555 PolarHBondContact O-ND2 3.32Å; A552-N555 PolarHBondContact O-N 3.42Å; W553-N555 PolarHBondContact O-N 2.91Å; N555-I558 PolarHBondContact O-N 3Å; N555-V559 WeakPolarHBondContact O-CG2 3.4Å; N555-V559 PolarHBondContact O-N 3.35Å; N555-V559 VanDerWaalsContact O-N 3.08Å |
| 556 | L | 98.6 | Very high | 97.4 | Very high | 4 Ų | 4 | 41.8 Ų | 41.8 | 2% | 0.021 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.5 | -46.1 | 173.7 | -178.5 | 56.7 | 0 | 0 | 0 | 110.7 | E536 L539 S540 V543 A552 W553 M554 I558 V559 Q560 | E536-L556 HydrophobicContact CG-CD1 3.98Å; L539-L556 HydrophobicContact CB-CB 4Å; L539-L556 HydrophobicContact CB-CD1 3.92Å; L539-L556 HydrophobicContact CB-CG 4.48Å; S540-L556 WeakPolarHBondContact OG-CD1 3.47Å; V543-L556 HydrophobicContact CG2-CD2 3.92Å; A552-L556 WeakPolarHBondContact O-CB 2.84Å; A552-L556 PolarHBondContact O-N 2.96Å; W553-L556 HydrophobicContact CE3-CD2 4.07Å; W553-L556 HydrophobicContact CZ3-CD2 4Å; W553-L556 PolarHBondContact O-N 3.13Å; M554-L556 VanDerWaalsContact C-N 3.33Å; M554-L556 PolarHBondContact O-N 3.35Å; L556-I558 VanDerWaalsContact C-N 3.31Å; L556-I558 PolarHBondContact O-N 2.89Å; L556-V559 PolarHBondContact O-N 3.26Å; L556-Q560 HydrophobicContact CD1-CG 4.11Å; L556-Q560 HydrophobicContact CG-CG 4.36Å; L556-Q560 WeakPolarHBondContact O-CB 3.4Å; L556-Q560 VanDerWaalsContact O-CG 3.3Å; L556-Q560 WeakPolarHBondContact O-CG 3.42Å; L556-Q560 PolarHBondContact O-N 3.11Å |
| 557 | G | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.2 | -37.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | W553 M554 N561 A569 Y573 | W553-G557 PolarHBondContact O-N 3.22Å; M554-G557 PolarHBondContact O-N 3.41Å; G557-N561 WeakPolarHBondContact O-CB 3.36Å; G557-N561 PolarHBondContact O-N 2.93Å; G557-A569 WeakPolarHBondContact O-CB 3.27Å; G557-Y573 VanDerWaalsContact C-CZ 3.47Å; G557-Y573 VanDerWaalsContact C-OH 3.24Å; G557-Y573 PolarHBondContact O-OH 3.26Å |
| 558 | I | 98.3 | Very high | 97.5 | Very high | 29 Ų | 29 | 44.5 Ų | 44.5 | 15% | 0.149 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.1 | -45 | 176.3 | -64.6 | 165.5 | 0 | 0 | 0 | 110.9 | K527 M554 N555 L556 N561 S562 Y573 N589 | K527-I558 HydrophobicContact CD-CG2 3.8Å; M554-I558 HydrophobicContact CG-CD1 4.37Å; M554-I558 WeakPolarHBondContact O-CG1 3.45Å; M554-I558 PolarHBondContact O-N 3.3Å; N555-I558 PolarHBondContact O-N 3Å; L556-I558 VanDerWaalsContact C-N 3.31Å; L556-I558 PolarHBondContact O-N 2.89Å; I558-N561 PolarHBondContact O-N 3.47Å; I558-S562 PolarHBondContact O-N 3.11Å; I558-S562 VanDerWaalsContact O-N 3.08Å; I558-S562 PolarHBondContact O-OG 3.48Å; I558-Y573 VanDerWaalsContact CA-OH 3.24Å; I558-Y573 WeakPolarHBondContact CA-OH 3.4Å; I558-Y573 HydrophobicContact CG1-CE1 4.1Å; I558-Y573 WeakPolarHBondContact CG1-OH 3.31Å; I558-Y573 PolarHBondContact N-OH 2.8Å; I558-Y573 VanDerWaalsContact N-OH 3.16Å; I558-N589 HydrophobicContact CG1-CB 4.4Å |
| 559 | V | 98.4 | Very high | 97.8 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.006 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.4 | -45.4 | 178.3 | 173.4 | 0 | 0 | 0 | 0 | 110.7 | K527 L532 A535 E536 L539 N555 L556 N561 S562 L563 | K527-V559 HydrophobicContact CB-CG2 3.94Å; K527-V559 HydrophobicContact CD-CG2 4.4Å; K527-V559 HydrophobicContact CG-CG2 3.91Å; L532-V559 HydrophobicContact CB-CG1 4.34Å; L532-V559 HydrophobicContact CD2-CG1 4.47Å; L532-V559 VanDerWaalsContact O-CG1 3.3Å; L532-V559 WeakPolarHBondContact O-CG1 3.36Å; A535-V559 HydrophobicContact CB-CG1 4.21Å; A535-V559 HydrophobicContact CB-CG2 4.02Å; E536-V559 HydrophobicContact CB-CG1 3.85Å; L539-V559 HydrophobicContact CD1-CG2 3.82Å; N555-V559 WeakPolarHBondContact O-CG2 3.4Å; N555-V559 PolarHBondContact O-N 3.35Å; N555-V559 VanDerWaalsContact O-N 3.08Å; L556-V559 PolarHBondContact O-N 3.26Å; V559-N561 PolarHBondContact O-N 3.21Å; V559-S562 WeakPolarHBondContact O-CB 3.44Å; V559-S562 PolarHBondContact O-N 2.92Å; V559-S562 VanDerWaalsContact O-N 3.15Å; V559-L563 HydrophobicContact CG1-CD1 4.06Å; V559-L563 WeakPolarHBondContact O-CG 3.29Å; V559-L563 PolarHBondContact O-N 3.01Å |
| 560 | Q | 98.5 | Very high | 97.9 | Very high | 16 Ų | 16 | 40.3 Ų | 40.3 | 8% | 0.075 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.7 | -41 | 177.1 | -74.3 | 170.9 | -27.4 | 0 | 0 | 112.3 | E536 L556 S562 L563 R564 K565 A568 A569 S572 | E536-Q560 HydrophobicContact CG-CG 4.46Å; L556-Q560 HydrophobicContact CD1-CG 4.11Å; L556-Q560 HydrophobicContact CG-CG 4.36Å; L556-Q560 WeakPolarHBondContact O-CB 3.4Å; L556-Q560 VanDerWaalsContact O-CG 3.3Å; L556-Q560 WeakPolarHBondContact O-CG 3.42Å; L556-Q560 PolarHBondContact O-N 3.11Å; Q560-S562 VanDerWaalsContact C-N 3.32Å; Q560-S562 PolarHBondContact O-N 3.27Å; Q560-L563 CarbonylContact O-C 3.56Å; Q560-L563 PolarHBondContact O-N 3.43Å; Q560-R564 PolarHBondContact O-N 3.01Å; Q560-R564 VanDerWaalsContact O-N 3.13Å; Q560-K565 HydrophobicContact CB-CB 4.19Å; Q560-K565 PolarHBondContact O-N 3.49Å; Q560-A568 PolarHBondContact OE1-O 2.61Å; Q560-A569 HydrophobicContact CB-CB 3.81Å; Q560-S572 PolarHBondContact OE1-OG 3.11Å |
| 561 | N | 97.7 | Very high | 97.9 | Very high | 16 Ų | 16 | 45.8 Ų | 45.8 | 9% | 0.086 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.1 | -42.8 | 174 | -172.3 | 44.5 | 0 | 0 | 0 | 111.3 | G557 I558 V559 L563 R564 F566 A569 L593 D596 | G557-N561 WeakPolarHBondContact O-CB 3.36Å; G557-N561 PolarHBondContact O-N 2.93Å; I558-N561 PolarHBondContact O-N 3.47Å; V559-N561 PolarHBondContact O-N 3.21Å; N561-L563 PolarHBondContact O-N 2.94Å; N561-R564 WeakPolarHBondContact O-CA 3.39Å; N561-R564 PolarHBondContact O-N 3.49Å; N561-F566 VanDerWaalsContact OD1-CD1 3.3Å; N561-F566 WeakPolarHBondContact OD1-CD1 3.35Å; N561-F566 VanDerWaalsContact OD1-CE1 3.26Å; N561-F566 WeakPolarHBondContact OD1-CE1 3.39Å; N561-A569 HydrophobicContact CB-CB 4.13Å; N561-L593 HydrophobicContact CB-CD1 4.25Å; N561-L593 WeakPolarHBondContact OD1-CD1 3.42Å; N561-D596 PolarHBondContact ND2-OD2 3.1Å |
| 562 | S | 96.4 | Very high | 98 | Very high | 66 Ų | 66 | 44.9 Ų | 44.9 | 46% | 0.462 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -64 | -31.5 | 177.1 | -53.3 | 0 | 0 | 0 | 0 | 112.3 | I558 V559 Q560 R564 | I558-S562 PolarHBondContact O-N 3.11Å; I558-S562 VanDerWaalsContact O-N 3.08Å; I558-S562 PolarHBondContact O-OG 3.48Å; V559-S562 WeakPolarHBondContact O-CB 3.44Å; V559-S562 PolarHBondContact O-N 2.92Å; V559-S562 VanDerWaalsContact O-N 3.15Å; Q560-S562 VanDerWaalsContact C-N 3.32Å; Q560-S562 PolarHBondContact O-N 3.27Å; S562-R564 VanDerWaalsContact C-N 3.26Å; S562-R564 PolarHBondContact O-N 2.9Å |
| 563 | L | 96.7 | Very high | 98 | Very high | 52 Ų | 52 | 45 Ų | 45 | 27% | 0.272 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | 2.4 | 172 | -69.7 | 170.5 | 0 | 0 | 0 | 113.8 | L532 E536 V559 Q560 N561 K565 | L532-L563 HydrophobicContact CB-CD1 4.32Å; L532-L563 HydrophobicContact CB-CD2 3.67Å; L532-L563 HydrophobicContact CB-CG 3.94Å; L532-L563 HydrophobicContact CD1-CD2 3.98Å; L532-L563 HydrophobicContact CD1-CG 4.23Å; E536-L563 HydrophobicContact CB-CD1 4.15Å; E536-L563 HydrophobicContact CG-CD1 4.42Å; E536-L563 WeakPolarHBondContact OE2-CD1 3.13Å; V559-L563 HydrophobicContact CG1-CD1 4.06Å; V559-L563 WeakPolarHBondContact O-CG 3.29Å; V559-L563 PolarHBondContact O-N 3.01Å; Q560-L563 CarbonylContact O-C 3.56Å; Q560-L563 PolarHBondContact O-N 3.43Å; N561-L563 PolarHBondContact O-N 2.94Å; L563-K565 HydrophobicContact CB-CD 4.25Å; L563-K565 HydrophobicContact CB-CG 4.22Å; L563-K565 HydrophobicContact CD1-CD 4.49Å; L563-K565 PolarHBondContact O-N 3.08Å |
| 564 | R | 96 | Very high | 98 | Very high | 202 Ų | 202 | 49 Ų | 49 | 76% | 0.762 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.7 | 24.5 | -174.6 | -55.5 | -175.2 | 173.3 | -151 | -2.2 | 114.8 | Q560 N561 S562 F566 | Q560-R564 PolarHBondContact O-N 3.01Å; Q560-R564 VanDerWaalsContact O-N 3.13Å; N561-R564 WeakPolarHBondContact O-CA 3.39Å; N561-R564 PolarHBondContact O-N 3.49Å; S562-R564 VanDerWaalsContact C-N 3.26Å; S562-R564 PolarHBondContact O-N 2.9Å; R564-F566 VanDerWaalsContact C-N 3.27Å; R564-F566 HydrophobicContact CB-CE1 4.47Å; R564-F566 HydrophobicContact CB-CE2 4.29Å; R564-F566 HydrophobicContact CB-CZ 4.09Å; R564-F566 HydrophobicContact CG-CZ 4.21Å; R564-F566 PolarHBondContact O-N 2.85Å |
| 565 | K | 97.8 | Very high | 98 | Very high | 88 Ų | 88 | 49.4 Ų | 49.4 | 38% | 0.383 | 23% | 0.232 | S | C | . | . | trans | -87.4 | 68.4 | 171.9 | -64.6 | 175.1 | 173.9 | 179.9 | 0 | 109.2 | E536 Q560 L563 E567 A568 A569 | E536-K565 VanDerWaalsContact OE1-CD 3.27Å; E536-K565 WeakPolarHBondContact OE1-CD 3.37Å; E536-K565 IonicContact OE1-NZ 2.68Å; E536-K565 PolarHBondContact OE1-NZ 2.96Å; E536-K565 IonicContact OE2-NZ 2.74Å; E536-K565 PolarHBondContact OE2-NZ 3.48Å; Q560-K565 HydrophobicContact CB-CB 4.19Å; Q560-K565 PolarHBondContact O-N 3.49Å; L563-K565 HydrophobicContact CB-CD 4.25Å; L563-K565 HydrophobicContact CB-CG 4.22Å; L563-K565 HydrophobicContact CD1-CD 4.49Å; L563-K565 PolarHBondContact O-N 3.08Å; K565-E567 PolarHBondContact O-N 3.22Å; K565-A568 HydrophobicContact CB-CB 4.31Å; K565-A568 PolarHBondContact O-N 2.88Å; K565-A569 WeakPolarHBondContact O-CB 3.43Å; K565-A569 PolarHBondContact O-N 2.51Å | ||
| 566 | F | 97.6 | Very high | 98 | Very high | 50 Ų | 50 | 48.5 Ų | 48.5 | 22% | 0.219 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.6 | -41 | -165 | -66.8 | -46.2 | 0 | 0 | 0 | 114.1 | N561 R564 A569 E570 L593 D596 Q597 | N561-F566 VanDerWaalsContact OD1-CD1 3.3Å; N561-F566 WeakPolarHBondContact OD1-CD1 3.35Å; N561-F566 VanDerWaalsContact OD1-CE1 3.26Å; N561-F566 WeakPolarHBondContact OD1-CE1 3.39Å; R564-F566 VanDerWaalsContact C-N 3.27Å; R564-F566 HydrophobicContact CB-CE1 4.47Å; R564-F566 HydrophobicContact CB-CE2 4.29Å; R564-F566 HydrophobicContact CB-CZ 4.09Å; R564-F566 HydrophobicContact CG-CZ 4.21Å; R564-F566 PolarHBondContact O-N 2.85Å; F566-A569 PolarHBondContact O-N 3.04Å; F566-E570 PolarHBondContact O-N 3.15Å; F566-L593 HydrophobicContact CB-CD1 4.15Å; F566-L593 HydrophobicContact CD1-CD1 3.56Å; F566-L593 HydrophobicContact CE1-CD1 4.44Å; F566-L593 HydrophobicContact CG-CD1 4.28Å; F566-D596 HydrophobicContact CE1-CB 4.17Å; F566-Q597 HydrophobicContact CB-CG 4.11Å; F566-Q597 HydrophobicContact CD1-CG 4.24Å; F566-Q597 HydrophobicContact CD2-CG 4.14Å; F566-Q597 HydrophobicContact CG-CG 3.92Å |
| 567 | E | 97.6 | Very high | 97.9 | Very high | 145 Ų | 145 | 48.8 Ų | 48.8 | 68% | 0.678 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -66.3 | -45 | 179.7 | -62.3 | 74.5 | -164.3 | 0 | 0 | 110.9 | K565 A569 E570 E571 | K565-E567 PolarHBondContact O-N 3.22Å; E567-A569 VanDerWaalsContact C-N 3.33Å; E567-A569 PolarHBondContact O-N 3.07Å; E567-E570 PolarHBondContact O-N 3.4Å; E567-E571 PolarHBondContact O-N 2.89Å |
| 568 | A | 98.2 | Very high | 97.9 | Very high | 33 Ų | 33 | 57.3 Ų | 57.3 | 27% | 0.273 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64.4 | -38.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q560 K565 E571 S572 | Q560-A568 PolarHBondContact OE1-O 2.61Å; K565-A568 HydrophobicContact CB-CB 4.31Å; K565-A568 PolarHBondContact O-N 2.88Å; A568-E571 PolarHBondContact O-N 3.47Å; A568-S572 WeakPolarHBondContact O-CB 3.34Å; A568-S572 PolarHBondContact O-N 3.46Å; A568-S572 PolarHBondContact O-OG 2.64Å; A568-S572 VanDerWaalsContact O-OG 3.12Å |
| 569 | A | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.8 | -43.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | G557 Q560 N561 K565 F566 E567 S572 Y573 L593 | G557-A569 WeakPolarHBondContact O-CB 3.27Å; Q560-A569 HydrophobicContact CB-CB 3.81Å; N561-A569 HydrophobicContact CB-CB 4.13Å; K565-A569 WeakPolarHBondContact O-CB 3.43Å; K565-A569 PolarHBondContact O-N 2.51Å; F566-A569 PolarHBondContact O-N 3.04Å; E567-A569 VanDerWaalsContact C-N 3.33Å; E567-A569 PolarHBondContact O-N 3.07Å; A569-S572 PolarHBondContact O-N 2.84Å; A569-Y573 HydrophobicContact CB-CE2 4.38Å; A569-Y573 WeakPolarHBondContact O-CD2 3.45Å; A569-Y573 PolarHBondContact O-N 2.9Å; A569-L593 HydrophobicContact CB-CD1 4Å; A569-L593 HydrophobicContact CB-CD2 4.02Å |
| 570 | E | 98.4 | Very high | 97.6 | Very high | 39 Ų | 39 | 66.6 Ų | 66.6 | 18% | 0.182 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60 | -48 | 176.3 | -177.7 | 161.7 | -167.4 | 0 | 0 | 111 | F566 E567 S572 Y573 W574 L590 L593 Y594 R599 | F566-E570 PolarHBondContact O-N 3.15Å; E567-E570 PolarHBondContact O-N 3.4Å; E570-S572 VanDerWaalsContact C-N 3.34Å; E570-S572 PolarHBondContact O-N 3.45Å; E570-Y573 PolarHBondContact O-N 3.3Å; E570-W574 PolarHBondContact O-N 3.21Å; E570-L590 HydrophobicContact CG-CD1 4.41Å; E570-L593 HydrophobicContact CB-CD2 3.71Å; E570-Y594 HydrophobicContact CG-CE1 4.34Å; E570-Y594 VanDerWaalsContact OE1-CE1 3.26Å; E570-Y594 WeakPolarHBondContact OE1-CE1 3.34Å; E570-Y594 PolarHBondContact OE1-OH 3.07Å; E570-R599 IonicContact OE1-NH1 2.85Å; E570-R599 IonicContact OE1-NH2 3.12Å; E570-R599 IonicContact OE2-CZ 2.84Å; E570-R599 IonicContact OE2-NH1 3.89Å; E570-R599 PolarHBondContact OE2-NH1 3.44Å |
| 571 | E | 98.4 | Very high | 97.3 | Very high | 125 Ų | 125 | 76 Ų | 76 | 58% | 0.584 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -57.7 | -46.5 | 176.1 | -171.8 | -174.4 | 173.3 | 0 | 0 | 111.6 | E567 A568 Y573 W574 N575 | E567-E571 PolarHBondContact O-N 2.89Å; A568-E571 PolarHBondContact O-N 3.47Å; E571-Y573 PolarHBondContact O-N 3.11Å; E571-W574 PolarHBondContact O-N 3.41Å; E571-N575 PolarHBondContact O-N 3.07Å; E571-N575 PolarHBondContact O-ND2 2.84Å |
| 572 | S | 98.6 | Very high | 97.2 | Very high | 3 Ų | 3 | 83.4 Ų | 83.4 | 2% | 0.021 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -59.2 | -43.8 | 178 | -70.9 | 0 | 0 | 0 | 0 | 112.4 | Q560 A568 A569 E570 N575 A576 | Q560-S572 PolarHBondContact OE1-OG 3.11Å; A568-S572 WeakPolarHBondContact O-CB 3.34Å; A568-S572 PolarHBondContact O-N 3.46Å; A568-S572 PolarHBondContact O-OG 2.64Å; A568-S572 VanDerWaalsContact O-OG 3.12Å; A569-S572 PolarHBondContact O-N 2.84Å; E570-S572 VanDerWaalsContact C-N 3.34Å; E570-S572 PolarHBondContact O-N 3.45Å; S572-N575 PolarHBondContact O-N 2.92Å; S572-A576 PolarHBondContact O-N 2.89Å |
| 573 | Y | 98.6 | Very high | 97.3 | Very high | 3 Ų | 3 | 81.1 Ų | 81.1 | 1% | 0.012 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -65.8 | -39.8 | 175.8 | -68.2 | -48.8 | 0 | 0 | 0 | 112.6 | M554 G557 I558 A569 E570 E571 N575 A576 L577 N589 L590 L593 | M554-Y573 HydrophobicContact CG-CD1 4.3Å; M554-Y573 HydrophobicContact CG-CE1 4.15Å; M554-Y573 WeakPolarHBondContact O-CE1 3.09Å; G557-Y573 VanDerWaalsContact C-CZ 3.47Å; G557-Y573 VanDerWaalsContact C-OH 3.24Å; G557-Y573 PolarHBondContact O-OH 3.26Å; I558-Y573 VanDerWaalsContact CA-OH 3.24Å; I558-Y573 WeakPolarHBondContact CA-OH 3.4Å; I558-Y573 HydrophobicContact CG1-CE1 4.1Å; I558-Y573 WeakPolarHBondContact CG1-OH 3.31Å; I558-Y573 PolarHBondContact N-OH 2.8Å; I558-Y573 VanDerWaalsContact N-OH 3.16Å; A569-Y573 HydrophobicContact CB-CE2 4.38Å; A569-Y573 WeakPolarHBondContact O-CD2 3.45Å; A569-Y573 PolarHBondContact O-N 2.9Å; E570-Y573 PolarHBondContact O-N 3.3Å; E571-Y573 PolarHBondContact O-N 3.11Å; Y573-N575 VanDerWaalsContact C-N 3.34Å; Y573-A576 WeakPolarHBondContact O-CB 3.47Å; Y573-A576 PolarHBondContact O-N 2.93Å; Y573-L577 WeakPolarHBondContact O-CG 3.33Å; Y573-L577 PolarHBondContact O-N 3.34Å; Y573-N589 HydrophobicContact CD1-CB 4.48Å; Y573-N589 HydrophobicContact CE1-CB 3.66Å; Y573-L590 HydrophobicContact CD2-CB 4.38Å; Y573-L590 HydrophobicContact CD2-CD1 3.83Å; Y573-L590 HydrophobicContact CG-CB 4.5Å; Y573-L590 HydrophobicContact CG-CD1 4.24Å; Y573-L593 HydrophobicContact CD2-CD2 3.79Å; Y573-L593 HydrophobicContact CE2-CB 4.03Å; Y573-L593 HydrophobicContact CE2-CD2 3.87Å |
| 574 | W | 98.4 | Very high | 97.3 | Very high | 121 Ų | 121 | 79.7 Ų | 79.7 | 46% | 0.458 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65.8 | -37.2 | 175.5 | -77.4 | 117.4 | 0 | 0 | 0 | 112.3 | E570 E571 L577 R578 L590 | E570-W574 PolarHBondContact O-N 3.21Å; E571-W574 PolarHBondContact O-N 3.41Å; W574-L577 HydrophobicContact CE3-CD1 4.01Å; W574-L577 HydrophobicContact CZ3-CD1 4.13Å; W574-L577 PolarHBondContact O-N 3Å; W574-R578 WeakPolarHBondContact O-CB 2.91Å; W574-R578 PolarHBondContact O-N 3.42Å; W574-L590 HydrophobicContact CZ2-CD2 4.09Å |
| 575 | N | 98.3 | Very high | 97.4 | Very high | 26 Ų | 26 | 73.3 Ų | 73.3 | 14% | 0.139 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.3 | -43.9 | 171.2 | -78.9 | -37.8 | 0 | 0 | 0 | 111.5 | W553 E571 S572 Y573 L577 R578 Y579 | W553-N575 HydrophobicContact CD2-CB 3.61Å; W553-N575 HydrophobicContact CE3-CB 3.91Å; W553-N575 HydrophobicContact CG-CB 3.95Å; W553-N575 HydrophobicContact CH2-CB 4.48Å; W553-N575 HydrophobicContact CZ2-CB 4.22Å; W553-N575 HydrophobicContact CZ3-CB 4.33Å; E571-N575 PolarHBondContact O-N 3.07Å; E571-N575 PolarHBondContact O-ND2 2.84Å; S572-N575 PolarHBondContact O-N 2.92Å; Y573-N575 VanDerWaalsContact C-N 3.34Å; N575-L577 VanDerWaalsContact C-N 3.31Å; N575-L577 PolarHBondContact O-N 2.86Å; N575-R578 WeakPolarHBondContact O-CB 3.47Å; N575-R578 PolarHBondContact O-N 3.33Å; N575-R578 VanDerWaalsContact O-N 3.16Å; N575-Y579 WeakPolarHBondContact O-CD2 3.36Å; N575-Y579 PolarHBondContact O-N 3.37Å; N575-Y579 VanDerWaalsContact O-N 3.16Å |
| 576 | A | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -56.4 | -44.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | A550 W553 M554 S572 Y573 Y579 R580 | A550-A576 WeakPolarHBondContact O-CB 3.41Å; W553-A576 HydrophobicContact CB-CB 3.67Å; M554-A576 HydrophobicContact CB-CB 4.16Å; S572-A576 PolarHBondContact O-N 2.89Å; Y573-A576 WeakPolarHBondContact O-CB 3.47Å; Y573-A576 PolarHBondContact O-N 2.93Å; A576-Y579 PolarHBondContact O-N 2.99Å; A576-R580 PolarHBondContact O-N 3.41Å |
| 577 | L | 97.6 | Very high | 97.4 | Very high | 9 Ų | 9 | 68.5 Ų | 68.5 | 5% | 0.047 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -69.9 | -30.4 | 178 | -71 | 169.7 | 0 | 0 | 0 | 113.3 | Y573 W574 N575 R580 R581 C586 Y587 L590 | Y573-L577 WeakPolarHBondContact O-CG 3.33Å; Y573-L577 PolarHBondContact O-N 3.34Å; W574-L577 HydrophobicContact CE3-CD1 4.01Å; W574-L577 HydrophobicContact CZ3-CD1 4.13Å; W574-L577 PolarHBondContact O-N 3Å; N575-L577 VanDerWaalsContact C-N 3.31Å; N575-L577 PolarHBondContact O-N 2.86Å; L577-R580 CarbonylContact O-C 3.44Å; L577-R581 WeakPolarHBondContact O-CA 3.43Å; L577-R581 PolarHBondContact O-N 2.9Å; L577-C586 HydrophobicContact CD2-CB 4.09Å; L577-C586 HydrophobicContact CG-CB 4.38Å; L577-Y587 HydrophobicContact CD1-CD1 4Å; L577-Y587 HydrophobicContact CD1-CE1 3.62Å; L577-Y587 HydrophobicContact CD1-CE2 4.37Å; L577-Y587 HydrophobicContact CD2-CD2 3.81Å; L577-Y587 HydrophobicContact CD2-CE1 4.29Å; L577-Y587 HydrophobicContact CD2-CE2 3.49Å; L577-Y587 VanDerWaalsContact CD2-CE2 3.49Å; L577-Y587 HydrophobicContact CD2-CG 4.34Å; L577-L590 HydrophobicContact CD1-CD2 4.41Å |
| 578 | R | 97.4 | Very high | 97.5 | Very high | 179 Ų | 179 | 63 Ų | 63 | 68% | 0.675 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -61.2 | -46.7 | 173.6 | -179.2 | -177.8 | 179.6 | 179.2 | 0.6 | 111 | W574 N575 | W574-R578 WeakPolarHBondContact O-CB 2.91Å; W574-R578 PolarHBondContact O-N 3.42Å; N575-R578 WeakPolarHBondContact O-CB 3.47Å; N575-R578 PolarHBondContact O-N 3.33Å; N575-R578 VanDerWaalsContact O-N 3.16Å |
| 579 | Y | 95.3 | Very high | 97.5 | Very high | 96 Ų | 96 | 62.2 Ų | 62.2 | 38% | 0.376 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -81.6 | -29.2 | 179.5 | -65.4 | -69.1 | 0 | 0 | 0 | 112.9 | P547 D548 W553 N575 A576 | P547-Y579 WeakPolarHBondContact CB-OH 3.5Å; P547-Y579 WeakPolarHBondContact O-CD2 3.22Å; P547-Y579 WeakPolarHBondContact O-CE2 3.26Å; P547-Y579 VanDerWaalsContact O-CZ 3.29Å; D548-Y579 HydrophobicContact CB-CD1 3.69Å; D548-Y579 HydrophobicContact CB-CE1 3.89Å; D548-Y579 HydrophobicContact CB-CG 4.3Å; W553-Y579 AromaticContact NE1-CE2 3.79Å; N575-Y579 WeakPolarHBondContact O-CD2 3.36Å; N575-Y579 PolarHBondContact O-N 3.37Å; N575-Y579 VanDerWaalsContact O-N 3.16Å; A576-Y579 PolarHBondContact O-N 2.99Å |
| 580 | R | 96.1 | Very high | 97.5 | Very high | 129 Ų | 129 | 62.3 Ų | 62.3 | 49% | 0.487 | 26% | 0.261 | S | S | . | . | trans | -131.8 | 91.2 | 175.4 | -172.2 | -176.1 | -119.1 | 178.1 | -1.1 | 111.4 | A550 A576 L577 K582 Y583 | A550-R580 HydrophobicContact CB-CB 3.63Å; A576-R580 PolarHBondContact O-N 3.41Å; L577-R580 CarbonylContact O-C 3.44Å; R580-K582 PolarHBondContact O-N 3.07Å; R580-Y583 HydrophobicContact CB-CD1 4.1Å; R580-Y583 HydrophobicContact CG-CD1 4.17Å; R580-Y583 HydrophobicContact CG-CG 4.23Å; R580-Y583 WeakPolarHBondContact O-CB 3.37Å | ||
| 581 | R | 92.3 | Very high | 97.4 | Very high | 213 Ų | 213 | 60.5 Ų | 60.5 | 80% | 0.804 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -60.6 | -38.5 | -177.7 | -66.2 | -176.6 | 178.9 | -177.4 | -1.2 | 114.5 | L577 Y583 | L577-R581 WeakPolarHBondContact O-CA 3.43Å; L577-R581 PolarHBondContact O-N 2.9Å; R581-Y583 PolarHBondContact O-N 3.49Å |
| 582 | K | 95.2 | Very high | 97.4 | Very high | 173 Ų | 173 | 59.9 Ų | 59.9 | 75% | 0.752 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -95.5 | 79.7 | 178.5 | -66.1 | -174.2 | 179.3 | -176.3 | 0 | 109.7 | R580 L613 | R580-K582 PolarHBondContact O-N 3.07Å; K582-L613 HydrophobicContact CG-CD2 4.24Å |
| 583 | Y | 97.3 | Very high | 97.4 | Very high | 17 Ų | 17 | 59.8 Ų | 59.8 | 7% | 0.067 | 24% | 0.244 | C | C | . | . | trans | -133 | 81.2 | -177.4 | -154.8 | 173.6 | 0 | 0 | 0 | 112.2 | A550 M554 R580 R581 D585 C586 Y587 | A550-Y583 HydrophobicContact CB-CE1 4.42Å; M554-Y583 HydrophobicContact CB-CE1 4.15Å; M554-Y583 HydrophobicContact CE-CE2 4.33Å; M554-Y583 WeakPolarHBondContact CE-OH 3.27Å; M554-Y583 HydrophobicContact SD-CE1 3.92Å; M554-Y583 HydrophobicContact SD-CE2 3.83Å; R580-Y583 HydrophobicContact CB-CD1 4.1Å; R580-Y583 HydrophobicContact CG-CD1 4.17Å; R580-Y583 HydrophobicContact CG-CG 4.23Å; R580-Y583 WeakPolarHBondContact O-CB 3.37Å; R581-Y583 PolarHBondContact O-N 3.49Å; Y583-D585 VanDerWaalsContact C-N 3.33Å; Y583-D585 HydrophobicContact CD2-CB 4.43Å; Y583-D585 HydrophobicContact CE2-CB 4.23Å; Y583-D585 PolarHBondContact O-N 3.2Å; Y583-C586 HydrophobicContact CD1-CB 3.67Å; Y583-C586 HydrophobicContact CD2-CB 4.21Å; Y583-C586 HydrophobicContact CE1-CB 4.28Å; Y583-C586 HydrophobicContact CG-CB 3.64Å; Y583-C586 WeakPolarHBondContact O-CB 3.24Å; Y583-C586 PolarHBondContact O-N 3.45Å; Y583-C586 VanDerWaalsContact O-N 3.11Å; Y583-Y587 PolarHBondContact O-N 2.95Å | ||
| 584 | P | 97.4 | Very high | 97.4 | Very high | 22 Ų | 22 | 60.2 Ų | 60.2 | 14% | 0.143 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -54.9 | -45.1 | -175.9 | -20.8 | 27.8 | 0 | 0 | 0 | 113.4 | C586 Y587 Y588 A610 L613 K614 | P584-C586 PolarHBondContact O-N 3.43Å; P584-Y587 PolarHBondContact O-N 3.46Å; P584-Y588 PolarHBondContact O-N 3.26Å; P584-A610 WeakPolarHBondContact O-CB 3.39Å; P584-L613 HydrophobicContact CB-CB 4.34Å; P584-L613 HydrophobicContact CG-CB 3.79Å; P584-K614 HydrophobicContact CB-CB 3.69Å; P584-K614 HydrophobicContact CB-CD 4.44Å; P584-K614 HydrophobicContact CG-CB 3.69Å |
| 585 | D | 97.4 | Very high | 97.3 | Very high | 68 Ų | 68 | 55.7 Ų | 55.7 | 36% | 0.364 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -64.8 | -30.8 | -178.2 | -52.5 | -44.9 | 0 | 0 | 0 | 112 | M554 Y583 Y588 N589 H617 | M554-D585 HydrophobicContact SD-CB 4.21Å; Y583-D585 VanDerWaalsContact C-N 3.33Å; Y583-D585 HydrophobicContact CD2-CB 4.43Å; Y583-D585 HydrophobicContact CE2-CB 4.23Å; Y583-D585 PolarHBondContact O-N 3.2Å; D585-Y588 WeakPolarHBondContact O-CB 3.2Å; D585-Y588 PolarHBondContact O-N 2.98Å; D585-N589 PolarHBondContact O-N 3.37Å; D585-N589 PolarHBondContact O-ND2 3.48Å; D585-H617 IonicContact OD1-CD2 2.86Å; D585-H617 IonicContact OD1-NE2 3.97Å |
| 586 | C | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -69.8 | -43.5 | 175.1 | -168.9 | 0 | 0 | 0 | 0 | 111.3 | M554 L577 Y583 P584 Y588 N589 L590 | M554-C586 HydrophobicContact CG-CB 4.19Å; M554-C586 HydrophobicContact SD-CB 3.98Å; L577-C586 HydrophobicContact CD2-CB 4.09Å; L577-C586 HydrophobicContact CG-CB 4.38Å; Y583-C586 HydrophobicContact CD1-CB 3.67Å; Y583-C586 HydrophobicContact CD2-CB 4.21Å; Y583-C586 HydrophobicContact CE1-CB 4.28Å; Y583-C586 HydrophobicContact CG-CB 3.64Å; Y583-C586 WeakPolarHBondContact O-CB 3.24Å; Y583-C586 PolarHBondContact O-N 3.45Å; Y583-C586 VanDerWaalsContact O-N 3.11Å; P584-C586 PolarHBondContact O-N 3.43Å; C586-Y588 VanDerWaalsContact C-N 3.28Å; C586-Y588 PolarHBondContact O-N 3.01Å; C586-N589 PolarHBondContact O-N 2.97Å; C586-L590 WeakPolarHBondContact O-CB 3.46Å; C586-L590 PolarHBondContact O-N 2.99Å |
| 587 | Y | 98.6 | Very high | 97 | Very high | 38 Ų | 38 | 60.7 Ų | 60.7 | 15% | 0.149 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.7 | -36.6 | 172.3 | -81.2 | -64.2 | 0 | 0 | 0 | 112.2 | L577 Y583 P584 L590 G591 N609 L613 | L577-Y587 HydrophobicContact CD1-CD1 4Å; L577-Y587 HydrophobicContact CD1-CE1 3.62Å; L577-Y587 HydrophobicContact CD1-CE2 4.37Å; L577-Y587 HydrophobicContact CD2-CD2 3.81Å; L577-Y587 HydrophobicContact CD2-CE1 4.29Å; L577-Y587 HydrophobicContact CD2-CE2 3.49Å; L577-Y587 VanDerWaalsContact CD2-CE2 3.49Å; L577-Y587 HydrophobicContact CD2-CG 4.34Å; Y583-Y587 PolarHBondContact O-N 2.95Å; P584-Y587 PolarHBondContact O-N 3.46Å; Y587-L590 HydrophobicContact CD1-CD2 4.42Å; Y587-L590 PolarHBondContact O-N 2.99Å; Y587-G591 PolarHBondContact O-N 2.9Å; Y587-N609 HydrophobicContact CD1-CB 3.77Å; Y587-N609 HydrophobicContact CD2-CB 4.13Å; Y587-N609 HydrophobicContact CE1-CB 3.99Å; Y587-N609 HydrophobicContact CE2-CB 4.32Å; Y587-N609 HydrophobicContact CG-CB 3.85Å; Y587-L613 HydrophobicContact CD2-CD1 3.71Å; Y587-L613 HydrophobicContact CE2-CD1 3.72Å |
| 588 | Y | 98.5 | Very high | 96.8 | Very high | 29 Ų | 29 | 65.9 Ų | 65.9 | 11% | 0.114 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.7 | -48.2 | 173.9 | 168.5 | -101.9 | 0 | 0 | 0 | 112.2 | P584 D585 C586 G591 R592 W607 H617 L619 A620 N623 | P584-Y588 PolarHBondContact O-N 3.26Å; D585-Y588 WeakPolarHBondContact O-CB 3.2Å; D585-Y588 PolarHBondContact O-N 2.98Å; C586-Y588 VanDerWaalsContact C-N 3.28Å; C586-Y588 PolarHBondContact O-N 3.01Å; Y588-G591 PolarHBondContact O-N 3.25Å; Y588-R592 HydrophobicContact CE1-CG 4.38Å; Y588-R592 PolarHBondContact O-N 2.89Å; Y588-R592 VanDerWaalsContact O-N 3.08Å; Y588-W607 AromaticContact CD2-CD1 3.93Å; Y588-W607 AromaticContact CD2-NE1 3.84Å; Y588-W607 PolarHBondContact O-NE1 3.17Å; Y588-H617 AromaticContact CD2-CE1 3.53Å; Y588-H617 AromaticContact CG-CE1 3.55Å; Y588-H617 AromaticContact CG-NE2 3.77Å; Y588-L619 HydrophobicContact CD2-CB 4.45Å; Y588-L619 HydrophobicContact CE2-CB 3.68Å; Y588-A620 HydrophobicContact CD2-CB 3.99Å; Y588-N623 WeakPolarHBondContact CE2-ND2 3.35Å |
| 589 | N | 98.3 | Very high | 96.8 | Very high | 17 Ų | 17 | 61.1 Ų | 61.1 | 9% | 0.091 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -68.7 | -35.1 | 178.2 | -71.6 | -46.6 | 0 | 0 | 0 | 112.7 | I558 Y573 D585 C586 G591 R592 L593 | I558-N589 HydrophobicContact CG1-CB 4.4Å; Y573-N589 HydrophobicContact CD1-CB 4.48Å; Y573-N589 HydrophobicContact CE1-CB 3.66Å; D585-N589 PolarHBondContact O-N 3.37Å; D585-N589 PolarHBondContact O-ND2 3.48Å; C586-N589 PolarHBondContact O-N 2.97Å; N589-G591 VanDerWaalsContact C-N 3.32Å; N589-G591 PolarHBondContact O-N 3.49Å; N589-R592 WeakPolarHBondContact O-CB 3.42Å; N589-R592 PolarHBondContact O-N 3.49Å; N589-L593 PolarHBondContact O-N 3.47Å |
| 590 | L | 98.1 | Very high | 96.8 | Very high | 2 Ų | 2 | 59.8 Ų | 59.8 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.8 | -41.2 | 171.7 | -173.4 | 68.6 | 0 | 0 | 0 | 111.3 | E570 Y573 W574 L577 C586 Y587 R592 L593 Y594 A606 | E570-L590 HydrophobicContact CG-CD1 4.41Å; Y573-L590 HydrophobicContact CD2-CB 4.38Å; Y573-L590 HydrophobicContact CD2-CD1 3.83Å; Y573-L590 HydrophobicContact CG-CB 4.5Å; Y573-L590 HydrophobicContact CG-CD1 4.24Å; W574-L590 HydrophobicContact CZ2-CD2 4.09Å; L577-L590 HydrophobicContact CD1-CD2 4.41Å; C586-L590 WeakPolarHBondContact O-CB 3.46Å; C586-L590 PolarHBondContact O-N 2.99Å; Y587-L590 HydrophobicContact CD1-CD2 4.42Å; Y587-L590 PolarHBondContact O-N 2.99Å; L590-R592 VanDerWaalsContact C-N 3.32Å; L590-R592 PolarHBondContact O-N 3.08Å; L590-L593 HydrophobicContact CD1-CD2 4.18Å; L590-L593 WeakPolarHBondContact O-CB 2.97Å; L590-L593 PolarHBondContact O-N 3.11Å; L590-Y594 HydrophobicContact CD1-CE1 4.28Å; L590-Y594 HydrophobicContact CD1-CE2 3.94Å; L590-Y594 HydrophobicContact CD2-CE2 3.82Å; L590-Y594 HydrophobicContact CG-CD2 4.08Å; L590-Y594 HydrophobicContact CG-CE2 3.49Å; L590-Y594 VanDerWaalsContact CG-CE2 3.49Å; L590-Y594 WeakPolarHBondContact O-CD2 3.43Å; L590-Y594 PolarHBondContact O-N 3.23Å; L590-A606 HydrophobicContact CB-CB 4.43Å; L590-A606 HydrophobicContact CD2-CB 4.42Å; L590-A606 HydrophobicContact CG-CB 4.42Å |
| 591 | G | 98 | Very high | 96.8 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.8 | -35 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y587 Y588 N589 Y594 A595 A603 W607 | Y587-G591 PolarHBondContact O-N 2.9Å; Y588-G591 PolarHBondContact O-N 3.25Å; N589-G591 VanDerWaalsContact C-N 3.32Å; N589-G591 PolarHBondContact O-N 3.49Å; G591-Y594 PolarHBondContact O-N 3.08Å; G591-A595 WeakPolarHBondContact O-CB 3.46Å; G591-A595 PolarHBondContact O-N 3.41Å; G591-A603 WeakPolarHBondContact O-CB 3.38Å; G591-W607 VanDerWaalsContact C-CZ2 3.48Å; G591-W607 WeakPolarHBondContact O-CZ2 3.13Å |
| 592 | R | 98.1 | Very high | 97 | Very high | 113 Ų | 113 | 51 Ų | 51 | 43% | 0.426 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.4 | -45.6 | 171.7 | -70.7 | -174.5 | 66 | -173.3 | -0.1 | 111.9 | Y588 N589 L590 Y594 A595 D596 W607 | Y588-R592 HydrophobicContact CE1-CG 4.38Å; Y588-R592 PolarHBondContact O-N 2.89Å; Y588-R592 VanDerWaalsContact O-N 3.08Å; N589-R592 WeakPolarHBondContact O-CB 3.42Å; N589-R592 PolarHBondContact O-N 3.49Å; L590-R592 VanDerWaalsContact C-N 3.32Å; L590-R592 PolarHBondContact O-N 3.08Å; R592-Y594 VanDerWaalsContact C-N 3.33Å; R592-Y594 PolarHBondContact O-N 3.26Å; R592-A595 WeakPolarHBondContact O-CB 3.47Å; R592-A595 PolarHBondContact O-N 3.24Å; R592-D596 PolarHBondContact O-N 3.42Å; R592-W607 HydrophobicContact CG-CZ2 4.28Å |
| 593 | L | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -55.6 | -48 | 174.9 | 170.1 | 67.3 | 0 | 0 | 0 | 111.4 | N561 F566 A569 E570 Y573 N589 L590 A595 D596 Q597 | N561-L593 HydrophobicContact CB-CD1 4.25Å; N561-L593 WeakPolarHBondContact OD1-CD1 3.42Å; F566-L593 HydrophobicContact CB-CD1 4.15Å; F566-L593 HydrophobicContact CD1-CD1 3.56Å; F566-L593 HydrophobicContact CE1-CD1 4.44Å; F566-L593 HydrophobicContact CG-CD1 4.28Å; A569-L593 HydrophobicContact CB-CD1 4Å; A569-L593 HydrophobicContact CB-CD2 4.02Å; E570-L593 HydrophobicContact CB-CD2 3.71Å; Y573-L593 HydrophobicContact CD2-CD2 3.79Å; Y573-L593 HydrophobicContact CE2-CB 4.03Å; Y573-L593 HydrophobicContact CE2-CD2 3.87Å; N589-L593 PolarHBondContact O-N 3.47Å; L590-L593 HydrophobicContact CD1-CD2 4.18Å; L590-L593 WeakPolarHBondContact O-CB 2.97Å; L590-L593 PolarHBondContact O-N 3.11Å; L593-A595 VanDerWaalsContact C-N 3.33Å; L593-A595 PolarHBondContact O-N 2.93Å; L593-D596 PolarHBondContact O-N 3.23Å; L593-Q597 WeakPolarHBondContact O-CG 3.48Å; L593-Q597 PolarHBondContact O-N 3.38Å; L593-Q597 VanDerWaalsContact O-N 3.09Å |
| 594 | Y | 98.3 | Very high | 97.2 | Very high | 13 Ų | 13 | 43.2 Ų | 43.2 | 5% | 0.051 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.8 | -35.7 | 178 | -66.6 | -35.2 | 0 | 0 | 0 | 113 | E570 L590 G591 R592 Q597 N598 R599 D602 A606 | E570-Y594 HydrophobicContact CG-CE1 4.34Å; E570-Y594 VanDerWaalsContact OE1-CE1 3.26Å; E570-Y594 WeakPolarHBondContact OE1-CE1 3.34Å; E570-Y594 PolarHBondContact OE1-OH 3.07Å; L590-Y594 HydrophobicContact CD1-CE1 4.28Å; L590-Y594 HydrophobicContact CD1-CE2 3.94Å; L590-Y594 HydrophobicContact CD2-CE2 3.82Å; L590-Y594 HydrophobicContact CG-CD2 4.08Å; L590-Y594 HydrophobicContact CG-CE2 3.49Å; L590-Y594 VanDerWaalsContact CG-CE2 3.49Å; L590-Y594 WeakPolarHBondContact O-CD2 3.43Å; L590-Y594 PolarHBondContact O-N 3.23Å; G591-Y594 PolarHBondContact O-N 3.08Å; R592-Y594 VanDerWaalsContact C-N 3.33Å; R592-Y594 PolarHBondContact O-N 3.26Å; Y594-Q597 CarbonylContact O-C 3.15Å; Y594-Q597 PolarHBondContact O-N 3.19Å; Y594-N598 PolarHBondContact O-N 2.89Å; Y594-R599 VanDerWaalsContact CE1-NH1 3.32Å; Y594-R599 WeakPolarHBondContact O-CA 3.27Å; Y594-R599 PolarHBondContact O-N 3.41Å; Y594-D602 HydrophobicContact CD1-CB 4.21Å; Y594-D602 VanDerWaalsContact CD2-C 3.49Å; Y594-D602 HydrophobicContact CD2-CB 3.47Å; Y594-D602 VanDerWaalsContact CD2-CB 3.47Å; Y594-D602 HydrophobicContact CE2-CB 3.79Å; Y594-D602 HydrophobicContact CG-CB 3.68Å; Y594-A606 HydrophobicContact CD2-CB 4.22Å; Y594-A606 HydrophobicContact CE2-CB 4.4Å |
| 595 | A | 96 | Very high | 97.2 | Very high | 25 Ų | 25 | 46.1 Ų | 46.1 | 21% | 0.207 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.7 | -42.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | G591 R592 L593 Q597 N598 A603 W607 | G591-A595 WeakPolarHBondContact O-CB 3.46Å; G591-A595 PolarHBondContact O-N 3.41Å; R592-A595 WeakPolarHBondContact O-CB 3.47Å; R592-A595 PolarHBondContact O-N 3.24Å; L593-A595 VanDerWaalsContact C-N 3.33Å; L593-A595 PolarHBondContact O-N 2.93Å; A595-Q597 PolarHBondContact O-N 3.42Å; A595-N598 PolarHBondContact O-N 2.95Å; A595-A603 HydrophobicContact CB-CB 4.23Å; A595-W607 HydrophobicContact CB-CH2 3.82Å; A595-W607 HydrophobicContact CB-CZ2 4.19Å |
| 596 | D | 94.9 | Very high | 97.2 | Very high | 85 Ų | 85 | 43.1 Ų | 43.1 | 46% | 0.455 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -63.4 | -28.8 | 176.3 | -67 | -21.8 | 0 | 0 | 0 | 112.1 | N561 F566 R592 L593 N598 | N561-D596 PolarHBondContact ND2-OD2 3.1Å; F566-D596 HydrophobicContact CE1-CB 4.17Å; R592-D596 PolarHBondContact O-N 3.42Å; L593-D596 PolarHBondContact O-N 3.23Å; D596-N598 VanDerWaalsContact C-N 3.35Å |
| 597 | Q | 95.4 | Very high | 97.3 | Very high | 46 Ų | 46 | 43.5 Ų | 43.5 | 22% | 0.215 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | 1.1 | 172.7 | -66.9 | 177.5 | 37.5 | 0 | 0 | 114.2 | F566 L593 Y594 A595 R599 | F566-Q597 HydrophobicContact CB-CG 4.11Å; F566-Q597 HydrophobicContact CD1-CG 4.24Å; F566-Q597 HydrophobicContact CD2-CG 4.14Å; F566-Q597 HydrophobicContact CG-CG 3.92Å; L593-Q597 WeakPolarHBondContact O-CG 3.48Å; L593-Q597 PolarHBondContact O-N 3.38Å; L593-Q597 VanDerWaalsContact O-N 3.09Å; Y594-Q597 CarbonylContact O-C 3.15Å; Y594-Q597 PolarHBondContact O-N 3.19Å; A595-Q597 PolarHBondContact O-N 3.42Å; Q597-R599 HydrophobicContact CB-CG 4.16Å; Q597-R599 PolarHBondContact O-N 3.3Å |
| 598 | N | 94.5 | Very high | 97.2 | Very high | 118 Ų | 118 | 49 Ų | 49 | 63% | 0.631 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.1 | 20.1 | -170.7 | -55.6 | -65.8 | 0 | 0 | 0 | 115.2 | Y594 A595 D596 H600 | Y594-N598 PolarHBondContact O-N 2.89Å; A595-N598 PolarHBondContact O-N 2.95Å; D596-N598 VanDerWaalsContact C-N 3.35Å; N598-H600 VanDerWaalsContact C-N 3.29Å; N598-H600 PolarHBondContact O-N 3.37Å |
| 599 | R | 96.6 | Very high | 97.2 | Very high | 79 Ų | 79 | 50.7 Ų | 50.7 | 30% | 0.298 | 25% | 0.247 | S | C | . | . | trans | -84.2 | 70.2 | 173.9 | -69.4 | 168.8 | 61.6 | -173.1 | -2.4 | 110.4 | E570 Y594 Q597 V601 D602 A603 | E570-R599 IonicContact OE1-NH1 2.85Å; E570-R599 IonicContact OE1-NH2 3.12Å; E570-R599 IonicContact OE2-CZ 2.84Å; E570-R599 IonicContact OE2-NH1 3.89Å; E570-R599 PolarHBondContact OE2-NH1 3.44Å; Y594-R599 VanDerWaalsContact CE1-NH1 3.32Å; Y594-R599 WeakPolarHBondContact O-CA 3.27Å; Y594-R599 PolarHBondContact O-N 3.41Å; Q597-R599 HydrophobicContact CB-CG 4.16Å; Q597-R599 PolarHBondContact O-N 3.3Å; R599-V601 PolarHBondContact O-N 2.83Å; R599-D602 HydrophobicContact CB-CB 4.22Å; R599-D602 IonicContact CZ-OD2 3.7Å; R599-D602 VanDerWaalsContact CZ-OD2 3.24Å; R599-D602 IonicContact NE-OD2 3.9Å; R599-D602 PolarHBondContact NE-OD2 3.3Å; R599-D602 IonicContact NH2-OD2 3.72Å; R599-D602 PolarHBondContact NH2-OD2 2.64Å; R599-D602 PolarHBondContact O-N 3Å; R599-A603 PolarHBondContact O-N 3.31Å | ||
| 600 | H | 95.8 | Very high | 97.2 | Very high | 69 Ų | 69 | 49.9 Ų | 49.9 | 32% | 0.319 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.4 | -38 | -168.7 | -54.8 | -40.3 | 0 | 0 | 0 | 114.4 | N598 A603 L604 L627 T631 | N598-H600 VanDerWaalsContact C-N 3.29Å; N598-H600 PolarHBondContact O-N 3.37Å; H600-A603 PolarHBondContact O-N 3.5Å; H600-L604 WeakPolarHBondContact O-CG 3.43Å; H600-L604 PolarHBondContact O-N 3.06Å; H600-L627 HydrophobicContact CB-CD1 4.27Å; H600-L627 HydrophobicContact CB-CD2 4.23Å; H600-L627 WeakPolarHBondContact ND1-CD1 3.34Å; H600-T631 HydrophobicContact CB-CG2 4.39Å |
| 601 | V | 96 | Very high | 97.1 | Very high | 102 Ų | 102 | 50 Ų | 50 | 62% | 0.618 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -65.7 | -44.6 | 178.8 | 178.3 | 0 | 0 | 0 | 0 | 110.9 | R599 A603 L604 N605 | R599-V601 PolarHBondContact O-N 2.83Å; V601-A603 VanDerWaalsContact C-N 3.33Å; V601-A603 PolarHBondContact O-N 2.85Å; V601-L604 PolarHBondContact O-N 3.42Å; V601-N605 PolarHBondContact O-N 3.2Å; V601-N605 PolarHBondContact O-ND2 3.41Å |
| 602 | D | 97.3 | Very high | 97.1 | Very high | 55 Ų | 55 | 56.4 Ų | 56.4 | 29% | 0.294 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -65.4 | -39.6 | 178.2 | -62.1 | -29 | 0 | 0 | 0 | 111.1 | Y594 R599 L604 N605 A606 | Y594-D602 HydrophobicContact CD1-CB 4.21Å; Y594-D602 VanDerWaalsContact CD2-C 3.49Å; Y594-D602 HydrophobicContact CD2-CB 3.47Å; Y594-D602 VanDerWaalsContact CD2-CB 3.47Å; Y594-D602 HydrophobicContact CE2-CB 3.79Å; Y594-D602 HydrophobicContact CG-CB 3.68Å; R599-D602 HydrophobicContact CB-CB 4.22Å; R599-D602 IonicContact CZ-OD2 3.7Å; R599-D602 VanDerWaalsContact CZ-OD2 3.24Å; R599-D602 IonicContact NE-OD2 3.9Å; R599-D602 PolarHBondContact NE-OD2 3.3Å; R599-D602 IonicContact NH2-OD2 3.72Å; R599-D602 PolarHBondContact NH2-OD2 2.64Å; R599-D602 PolarHBondContact O-N 3Å; D602-L604 PolarHBondContact O-N 2.79Å; D602-N605 PolarHBondContact O-N 3.19Å; D602-A606 WeakPolarHBondContact O-CB 3.5Å; D602-A606 PolarHBondContact O-N 3.24Å |
| 603 | A | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.2 | -47 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | G591 A595 R599 H600 V601 A606 W607 L627 | G591-A603 WeakPolarHBondContact O-CB 3.38Å; A595-A603 HydrophobicContact CB-CB 4.23Å; R599-A603 PolarHBondContact O-N 3.31Å; H600-A603 PolarHBondContact O-N 3.5Å; V601-A603 VanDerWaalsContact C-N 3.33Å; V601-A603 PolarHBondContact O-N 2.85Å; A603-A606 PolarHBondContact O-N 3.48Å; A603-W607 HydrophobicContact CB-CE3 4.48Å; A603-W607 HydrophobicContact CB-CH2 4.31Å; A603-W607 HydrophobicContact CB-CZ3 4.21Å; A603-W607 PolarHBondContact O-N 3.42Å; A603-L627 HydrophobicContact CB-CD2 3.81Å |
| 604 | L | 97.5 | Very high | 96.9 | Very high | 27 Ų | 27 | 58 Ų | 58 | 14% | 0.141 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.9 | -43.8 | 176.2 | -71.3 | 172.7 | 0 | 0 | 0 | 111.8 | H600 V601 D602 W607 R608 M624 L627 L628 | H600-L604 WeakPolarHBondContact O-CG 3.43Å; H600-L604 PolarHBondContact O-N 3.06Å; V601-L604 PolarHBondContact O-N 3.42Å; D602-L604 PolarHBondContact O-N 2.79Å; L604-W607 PolarHBondContact O-N 3.35Å; L604-R608 VanDerWaalsContact O-CB 3.25Å; L604-R608 WeakPolarHBondContact O-CB 3.49Å; L604-R608 PolarHBondContact O-N 2.73Å; L604-M624 HydrophobicContact CD2-CB 3.94Å; L604-M624 HydrophobicContact CD2-CG 3.89Å; L604-L627 HydrophobicContact CD2-CD2 4.01Å; L604-L627 HydrophobicContact CG-CD2 3.89Å; L604-L628 HydrophobicContact CD1-CD2 3.7Å; L604-L628 HydrophobicContact CD1-CG 4.21Å; L604-L628 HydrophobicContact CD2-CD1 4.24Å; L604-L628 HydrophobicContact CD2-CD2 4.41Å; L604-L628 HydrophobicContact CD2-CG 3.99Å |
| 605 | N | 97.8 | Very high | 96.8 | Very high | 83 Ų | 83 | 60.5 Ų | 60.5 | 44% | 0.444 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63 | -42.7 | 178.1 | -72.5 | -27.8 | 0 | 0 | 0 | 111.8 | V601 D602 R608 N609 | V601-N605 PolarHBondContact O-N 3.2Å; V601-N605 PolarHBondContact O-ND2 3.41Å; D602-N605 PolarHBondContact O-N 3.19Å; N605-R608 PolarHBondContact O-N 2.87Å; N605-N609 PolarHBondContact O-N 3.15Å; N605-N609 PolarHBondContact O-ND2 3.41Å |
| 606 | A | 98.1 | Very high | 96.7 | Very high | 4 Ų | 4 | 63.8 Ų | 63.8 | 3% | 0.033 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.3 | -47.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L590 Y594 D602 A603 R608 N609 A610 | L590-A606 HydrophobicContact CB-CB 4.43Å; L590-A606 HydrophobicContact CD2-CB 4.42Å; L590-A606 HydrophobicContact CG-CB 4.42Å; Y594-A606 HydrophobicContact CD2-CB 4.22Å; Y594-A606 HydrophobicContact CE2-CB 4.4Å; D602-A606 WeakPolarHBondContact O-CB 3.5Å; D602-A606 PolarHBondContact O-N 3.24Å; A603-A606 PolarHBondContact O-N 3.48Å; A606-R608 VanDerWaalsContact C-N 3.32Å; A606-R608 PolarHBondContact O-N 2.95Å; A606-N609 WeakPolarHBondContact O-CB 3.36Å; A606-N609 PolarHBondContact O-N 2.87Å; A606-A610 PolarHBondContact O-N 3.18Å |
| 607 | W | 98.5 | Very high | 96.8 | Very high | 8 Ų | 8 | 60.4 Ų | 60.4 | 3% | 0.03 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.1 | -34.4 | 176.2 | -68.6 | -30.8 | 0 | 0 | 0 | 113.2 | Y588 G591 R592 A595 A603 L604 A610 T611 A620 N623 M624 L627 | Y588-W607 AromaticContact CD2-CD1 3.93Å; Y588-W607 AromaticContact CD2-NE1 3.84Å; Y588-W607 PolarHBondContact O-NE1 3.17Å; G591-W607 VanDerWaalsContact C-CZ2 3.48Å; G591-W607 WeakPolarHBondContact O-CZ2 3.13Å; R592-W607 HydrophobicContact CG-CZ2 4.28Å; A595-W607 HydrophobicContact CB-CH2 3.82Å; A595-W607 HydrophobicContact CB-CZ2 4.19Å; A603-W607 HydrophobicContact CB-CE3 4.48Å; A603-W607 HydrophobicContact CB-CH2 4.31Å; A603-W607 HydrophobicContact CB-CZ3 4.21Å; A603-W607 PolarHBondContact O-N 3.42Å; L604-W607 PolarHBondContact O-N 3.35Å; W607-A610 WeakPolarHBondContact O-CB 3.25Å; W607-A610 PolarHBondContact O-N 3.43Å; W607-T611 WeakPolarHBondContact O-CG2 3.44Å; W607-T611 PolarHBondContact O-N 3.44Å; W607-T611 PolarHBondContact O-OG1 2.9Å; W607-A620 HydrophobicContact CB-CB 4.26Å; W607-A620 HydrophobicContact CG-CB 4.46Å; W607-N623 HydrophobicContact CD2-CB 3.88Å; W607-N623 HydrophobicContact CE3-CB 3.85Å; W607-N623 HydrophobicContact CH2-CB 3.7Å; W607-N623 HydrophobicContact CZ2-CB 3.73Å; W607-N623 HydrophobicContact CZ3-CB 3.75Å; W607-N623 WeakPolarHBondContact CZ3-O 3.46Å; W607-M624 HydrophobicContact CB-CG 3.5Å; W607-M624 HydrophobicContact CB-SD 3.85Å; W607-M624 HydrophobicContact CD2-CG 4.34Å; W607-M624 HydrophobicContact CE3-CG 3.81Å; W607-M624 HydrophobicContact CG-CG 4.28Å; W607-L627 HydrophobicContact CE3-CD2 4.36Å; W607-L627 HydrophobicContact CH2-CD2 4.27Å; W607-L627 HydrophobicContact CZ3-CB 3.89Å; W607-L627 HydrophobicContact CZ3-CD2 3.55Å; W607-L627 HydrophobicContact CZ3-CG 4.33Å |
| 608 | R | 97.9 | Very high | 96.8 | Very high | 154 Ų | 154 | 59.4 Ų | 59.4 | 58% | 0.581 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -63.1 | -41.3 | 172.4 | -169.2 | 178 | -166.6 | 174.4 | 5.2 | 111.8 | L604 N605 A606 A610 T611 M612 M624 | L604-R608 VanDerWaalsContact O-CB 3.25Å; L604-R608 WeakPolarHBondContact O-CB 3.49Å; L604-R608 PolarHBondContact O-N 2.73Å; N605-R608 PolarHBondContact O-N 2.87Å; A606-R608 VanDerWaalsContact C-N 3.32Å; A606-R608 PolarHBondContact O-N 2.95Å; R608-A610 VanDerWaalsContact C-N 3.31Å; R608-A610 PolarHBondContact O-N 3.03Å; R608-T611 PolarHBondContact O-N 3.3Å; R608-T611 PolarHBondContact O-OG1 2.97Å; R608-T611 VanDerWaalsContact O-OG1 3.1Å; R608-M612 HydrophobicContact CG-SD 4.43Å; R608-M612 WeakPolarHBondContact O-CB 3.23Å; R608-M612 VanDerWaalsContact O-CG 3.28Å; R608-M612 WeakPolarHBondContact O-CG 3.36Å; R608-M612 PolarHBondContact O-N 3.25Å; R608-M624 HydrophobicContact CB-SD 4.28Å |
| 609 | N | 97.7 | Very high | 97 | Very high | 65 Ų | 65 | 58.2 Ų | 58.2 | 35% | 0.348 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.1 | -40.4 | 173.2 | -72.7 | -26.5 | 0 | 0 | 0 | 111.5 | Y587 N605 A606 M612 L613 | Y587-N609 HydrophobicContact CD1-CB 3.77Å; Y587-N609 HydrophobicContact CD2-CB 4.13Å; Y587-N609 HydrophobicContact CE1-CB 3.99Å; Y587-N609 HydrophobicContact CE2-CB 4.32Å; Y587-N609 HydrophobicContact CG-CB 3.85Å; N605-N609 PolarHBondContact O-N 3.15Å; N605-N609 PolarHBondContact O-ND2 3.41Å; A606-N609 WeakPolarHBondContact O-CB 3.36Å; A606-N609 PolarHBondContact O-N 2.87Å; N609-M612 PolarHBondContact O-N 2.88Å; N609-L613 WeakPolarHBondContact O-CG 3.36Å; N609-L613 PolarHBondContact O-N 3.04Å; N609-L613 VanDerWaalsContact O-N 3.08Å |
| 610 | A | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.2 | -46.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | P584 A606 W607 R608 L613 K614 A620 | P584-A610 WeakPolarHBondContact O-CB 3.39Å; A606-A610 PolarHBondContact O-N 3.18Å; W607-A610 WeakPolarHBondContact O-CB 3.25Å; W607-A610 PolarHBondContact O-N 3.43Å; R608-A610 VanDerWaalsContact C-N 3.31Å; R608-A610 PolarHBondContact O-N 3.03Å; A610-L613 PolarHBondContact O-N 3.46Å; A610-K614 PolarHBondContact O-N 3.14Å; A610-A620 HydrophobicContact CB-CB 4.17Å |
| 611 | T | 97.2 | Very high | 97.1 | Very high | 5 Ų | 5 | 52.2 Ų | 52.2 | 3% | 0.031 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -73.8 | -29.4 | -179.8 | 61.8 | 0 | 0 | 0 | 0 | 113.3 | W607 R608 K614 P615 A620 W621 M624 | W607-T611 WeakPolarHBondContact O-CG2 3.44Å; W607-T611 PolarHBondContact O-N 3.44Å; W607-T611 PolarHBondContact O-OG1 2.9Å; R608-T611 PolarHBondContact O-N 3.3Å; R608-T611 PolarHBondContact O-OG1 2.97Å; R608-T611 VanDerWaalsContact O-OG1 3.1Å; T611-K614 WeakPolarHBondContact CA-O 3.45Å; T611-K614 CarbonylContact O-C 3.47Å; T611-K614 PolarHBondContact O-N 2.84Å; T611-P615 WeakPolarHBondContact O-CA 3.33Å; T611-A620 HydrophobicContact CG2-CB 3.69Å; T611-W621 HydrophobicContact CG2-CD2 3.63Å; T611-W621 VanDerWaalsContact CG2-CE2 3.48Å; T611-W621 HydrophobicContact CG2-CE3 4.32Å; T611-W621 HydrophobicContact CG2-CG 3.76Å; T611-W621 HydrophobicContact CG2-CZ2 4.05Å; T611-M624 HydrophobicContact CG2-CE 3.77Å |
| 612 | M | 96.8 | Very high | 97.2 | Very high | 134 Ų | 134 | 48.2 Ų | 48.2 | 66% | 0.66 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -64.7 | -39.6 | 171 | -78.4 | -179.5 | 62.9 | 0 | 0 | 112.1 | R608 N609 | R608-M612 HydrophobicContact CG-SD 4.43Å; R608-M612 WeakPolarHBondContact O-CB 3.23Å; R608-M612 VanDerWaalsContact O-CG 3.28Å; R608-M612 WeakPolarHBondContact O-CG 3.36Å; R608-M612 PolarHBondContact O-N 3.25Å; N609-M612 PolarHBondContact O-N 2.88Å |
| 613 | L | 96.1 | Very high | 97.2 | Very high | 71 Ų | 71 | 47.3 Ų | 47.3 | 37% | 0.372 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -77.6 | -32.2 | 177.1 | -67.2 | 175.1 | 0 | 0 | 0 | 112.5 | K582 P584 Y587 N609 A610 | K582-L613 HydrophobicContact CG-CD2 4.24Å; P584-L613 HydrophobicContact CB-CB 4.34Å; P584-L613 HydrophobicContact CG-CB 3.79Å; Y587-L613 HydrophobicContact CD2-CD1 3.71Å; Y587-L613 HydrophobicContact CE2-CD1 3.72Å; N609-L613 WeakPolarHBondContact O-CG 3.36Å; N609-L613 PolarHBondContact O-N 3.04Å; N609-L613 VanDerWaalsContact O-N 3.08Å; A610-L613 PolarHBondContact O-N 3.46Å |
| 614 | K | 96.7 | Very high | 97.2 | Very high | 75 Ų | 75 | 47.5 Ų | 47.5 | 33% | 0.326 | 24% | 0.239 | S | C | . | . | trans | -137.1 | 88.8 | -179.9 | -174.2 | 177.1 | 178.6 | -177.8 | 0 | 110.1 | P584 A610 T611 D616 H617 | P584-K614 HydrophobicContact CB-CB 3.69Å; P584-K614 HydrophobicContact CB-CD 4.44Å; P584-K614 HydrophobicContact CG-CB 3.69Å; A610-K614 PolarHBondContact O-N 3.14Å; T611-K614 WeakPolarHBondContact CA-O 3.45Å; T611-K614 CarbonylContact O-C 3.47Å; T611-K614 PolarHBondContact O-N 2.84Å; K614-D616 VanDerWaalsContact CE-OD1 3.31Å; K614-D616 WeakPolarHBondContact CE-OD1 3.27Å; K614-D616 WeakPolarHBondContact CE-OD2 3.28Å; K614-D616 WeakPolarHBondContact CG-OD1 3.39Å; K614-D616 PolarHBondContact O-N 3.33Å; K614-D616 VanDerWaalsContact O-N 3.14Å; K614-H617 HydrophobicContact CB-CB 4.11Å; K614-H617 HydrophobicContact CD-CB 4.17Å; K614-H617 HydrophobicContact CG-CB 4.03Å; K614-H617 WeakPolarHBondContact O-CB 3.37Å; K614-H617 PolarHBondContact O-N 3.45Å | ||
| 615 | P | 96.1 | Very high | 97.2 | Very high | 65 Ų | 65 | 46.2 Ų | 46.2 | 42% | 0.422 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -26.4 | -176.7 | -28.5 | 37 | 0 | 0 | 0 | 114.6 | T611 H617 W621 L647 | T611-P615 WeakPolarHBondContact O-CA 3.33Å; P615-H617 VanDerWaalsContact C-N 3.29Å; P615-H617 PolarHBondContact O-N 3.33Å; P615-W621 PolarHBondContact O-NE1 3.36Å; P615-L647 HydrophobicContact CB-CD1 4.15Å |
| 616 | D | 94.6 | Very high | 97.2 | Very high | 95 Ų | 95 | 45.2 Ų | 45.2 | 51% | 0.508 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | 9.9 | 176.7 | 65.7 | -42 | 0 | 0 | 0 | 113.9 | K614 S618 L648 | K614-D616 VanDerWaalsContact CE-OD1 3.31Å; K614-D616 WeakPolarHBondContact CE-OD1 3.27Å; K614-D616 WeakPolarHBondContact CE-OD2 3.28Å; K614-D616 WeakPolarHBondContact CG-OD1 3.39Å; K614-D616 PolarHBondContact O-N 3.33Å; K614-D616 VanDerWaalsContact O-N 3.14Å; D616-S618 VanDerWaalsContact C-N 3.27Å; D616-S618 PolarHBondContact O-N 3Å; D616-L648 HydrophobicContact CB-CD2 4.07Å |
| 617 | H | 96.4 | Very high | 97.1 | Very high | 13 Ų | 13 | 45.8 Ų | 45.8 | 6% | 0.06 | 23% | 0.228 | C | C | . | . | trans | -75 | 74.2 | 178.8 | -163.1 | -47.6 | 0 | 0 | 0 | 112.4 | D585 Y588 K614 P615 L619 A620 W621 | D585-H617 IonicContact OD1-CD2 2.86Å; D585-H617 IonicContact OD1-NE2 3.97Å; Y588-H617 AromaticContact CD2-CE1 3.53Å; Y588-H617 AromaticContact CG-CE1 3.55Å; Y588-H617 AromaticContact CG-NE2 3.77Å; K614-H617 HydrophobicContact CB-CB 4.11Å; K614-H617 HydrophobicContact CD-CB 4.17Å; K614-H617 HydrophobicContact CG-CB 4.03Å; K614-H617 WeakPolarHBondContact O-CB 3.37Å; K614-H617 PolarHBondContact O-N 3.45Å; P615-H617 VanDerWaalsContact C-N 3.29Å; P615-H617 PolarHBondContact O-N 3.33Å; H617-L619 PolarHBondContact O-N 3.2Å; H617-A620 HydrophobicContact CB-CB 4.39Å; H617-A620 WeakPolarHBondContact ND1-CB 3.39Å; H617-A620 PolarHBondContact ND1-N 2.97Å; H617-A620 PolarHBondContact O-N 3.46Å; H617-W621 PolarHBondContact O-N 3.48Å | ||
| 618 | S | 95.9 | Very high | 97.1 | Very high | 26 Ų | 26 | 45.5 Ų | 45.5 | 18% | 0.182 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -45.5 | -50 | -177.6 | 168.3 | 0 | 0 | 0 | 0 | 114.6 | D616 A620 W621 N622 D651 | D616-S618 VanDerWaalsContact C-N 3.27Å; D616-S618 PolarHBondContact O-N 3Å; S618-A620 VanDerWaalsContact C-N 3.26Å; S618-A620 PolarHBondContact O-N 3.14Å; S618-W621 WeakPolarHBondContact O-CB 3.39Å; S618-W621 PolarHBondContact O-N 2.87Å; S618-N622 WeakPolarHBondContact O-CB 3.48Å; S618-N622 PolarHBondContact O-N 3.09Å; S618-D651 WeakPolarHBondContact CB-OD2 3.35Å; S618-D651 PolarHBondContact OG-OD2 3.46Å |
| 619 | L | 97.1 | Very high | 96.9 | Very high | 92 Ų | 92 | 39.2 Ų | 39.2 | 48% | 0.482 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -61.1 | -32.3 | -176.8 | -64.7 | 175.5 | 0 | 0 | 0 | 113.5 | Y588 H617 N623 | Y588-L619 HydrophobicContact CD2-CB 4.45Å; Y588-L619 HydrophobicContact CE2-CB 3.68Å; H617-L619 PolarHBondContact O-N 3.2Å; L619-N623 VanDerWaalsContact O-CB 3.28Å; L619-N623 WeakPolarHBondContact O-CB 3.22Å; L619-N623 PolarHBondContact O-N 3.3Å; L619-N623 PolarHBondContact O-OD1 2.9Å |
| 620 | A | 97.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -75.2 | -43.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y588 W607 A610 T611 H617 S618 N623 M624 | Y588-A620 HydrophobicContact CD2-CB 3.99Å; W607-A620 HydrophobicContact CB-CB 4.26Å; W607-A620 HydrophobicContact CG-CB 4.46Å; A610-A620 HydrophobicContact CB-CB 4.17Å; T611-A620 HydrophobicContact CG2-CB 3.69Å; H617-A620 HydrophobicContact CB-CB 4.39Å; H617-A620 WeakPolarHBondContact ND1-CB 3.39Å; H617-A620 PolarHBondContact ND1-N 2.97Å; H617-A620 PolarHBondContact O-N 3.46Å; S618-A620 VanDerWaalsContact C-N 3.26Å; S618-A620 PolarHBondContact O-N 3.14Å; A620-N623 PolarHBondContact O-N 3Å; A620-M624 WeakPolarHBondContact O-CG 3.31Å; A620-M624 PolarHBondContact O-N 3.44Å |
| 621 | W | 98 | Very high | 96.5 | Very high | 22 Ų | 22 | 45 Ų | 45 | 8% | 0.083 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57 | -50.7 | 171.5 | -74.6 | 117.8 | 0 | 0 | 0 | 111.9 | T611 P615 H617 S618 N623 M624 V625 I640 A644 L647 I654 | T611-W621 HydrophobicContact CG2-CD2 3.63Å; T611-W621 VanDerWaalsContact CG2-CE2 3.48Å; T611-W621 HydrophobicContact CG2-CE3 4.32Å; T611-W621 HydrophobicContact CG2-CG 3.76Å; T611-W621 HydrophobicContact CG2-CZ2 4.05Å; P615-W621 PolarHBondContact O-NE1 3.36Å; H617-W621 PolarHBondContact O-N 3.48Å; S618-W621 WeakPolarHBondContact O-CB 3.39Å; S618-W621 PolarHBondContact O-N 2.87Å; W621-N623 VanDerWaalsContact C-N 3.35Å; W621-N623 PolarHBondContact O-N 3.46Å; W621-M624 HydrophobicContact CD2-CE 3.88Å; W621-M624 HydrophobicContact CE3-CE 3.29Å; W621-M624 HydrophobicContact CG-CE 4.47Å; W621-M624 HydrophobicContact CZ3-CE 3.69Å; W621-M624 PolarHBondContact O-N 3.1Å; W621-V625 WeakPolarHBondContact O-CG2 3.32Å; W621-V625 PolarHBondContact O-N 3.49Å; W621-V625 VanDerWaalsContact O-N 3.14Å; W621-I640 HydrophobicContact CE3-CG2 3.75Å; W621-I640 HydrophobicContact CZ3-CG2 3.89Å; W621-A644 HydrophobicContact CB-CB 3.77Å; W621-A644 HydrophobicContact CD2-CB 3.54Å; W621-A644 HydrophobicContact CE3-CB 3.65Å; W621-A644 HydrophobicContact CG-CB 3.61Å; W621-A644 HydrophobicContact CZ3-CB 4.43Å; W621-L647 HydrophobicContact CZ2-CD1 3.86Å; W621-I654 HydrophobicContact CB-CD1 3.76Å; W621-I654 HydrophobicContact CB-CG1 4.41Å; W621-I654 HydrophobicContact CG-CD1 4.49Å |
| 622 | N | 97.6 | Very high | 96.3 | Very high | 19 Ų | 19 | 47.2 Ų | 47.2 | 10% | 0.102 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.2 | -43.6 | -179.1 | -172.7 | 56.6 | 0 | 0 | 0 | 111.8 | S618 M624 V625 I626 T653 I654 S657 | S618-N622 WeakPolarHBondContact O-CB 3.48Å; S618-N622 PolarHBondContact O-N 3.09Å; N622-M624 PolarHBondContact O-N 3.2Å; N622-V625 PolarHBondContact O-N 2.91Å; N622-I626 VanDerWaalsContact ND2-CD1 3.35Å; N622-I626 WeakPolarHBondContact ND2-CD1 3.49Å; N622-I626 WeakPolarHBondContact O-CG1 3.48Å; N622-I626 PolarHBondContact O-N 2.83Å; N622-T653 PolarHBondContact OD1-O 3.09Å; N622-I654 HydrophobicContact CB-CG1 4.09Å; N622-S657 WeakPolarHBondContact OD1-CB 3.44Å; N622-S657 PolarHBondContact OD1-OG 2.68Å |
| 623 | N | 98.1 | Very high | 96.3 | Very high | 35 Ų | 35 | 44.2 Ų | 44.2 | 19% | 0.187 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.5 | -37.3 | 177.5 | -78.7 | 6.1 | 0 | 0 | 0 | 112.9 | Y588 W607 L619 A620 W621 I626 L627 | Y588-N623 WeakPolarHBondContact CE2-ND2 3.35Å; W607-N623 HydrophobicContact CD2-CB 3.88Å; W607-N623 HydrophobicContact CE3-CB 3.85Å; W607-N623 HydrophobicContact CH2-CB 3.7Å; W607-N623 HydrophobicContact CZ2-CB 3.73Å; W607-N623 HydrophobicContact CZ3-CB 3.75Å; W607-N623 WeakPolarHBondContact CZ3-O 3.46Å; L619-N623 VanDerWaalsContact O-CB 3.28Å; L619-N623 WeakPolarHBondContact O-CB 3.22Å; L619-N623 PolarHBondContact O-N 3.3Å; L619-N623 PolarHBondContact O-OD1 2.9Å; A620-N623 PolarHBondContact O-N 3Å; W621-N623 VanDerWaalsContact C-N 3.35Å; W621-N623 PolarHBondContact O-N 3.46Å; N623-I626 PolarHBondContact O-N 2.64Å; N623-L627 VanDerWaalsContact O-CB 3.26Å; N623-L627 WeakPolarHBondContact O-CB 3.43Å; N623-L627 PolarHBondContact O-N 3.2Å |
| 624 | M | 98.1 | Very high | 96.3 | Very high | 4 Ų | 4 | 42.6 Ų | 42.6 | 2% | 0.02 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.5 | -44.5 | 173.6 | -71.5 | -174 | -69.6 | 0 | 0 | 111.9 | L604 W607 R608 T611 A620 W621 N622 L627 L628 I640 | L604-M624 HydrophobicContact CD2-CB 3.94Å; L604-M624 HydrophobicContact CD2-CG 3.89Å; W607-M624 HydrophobicContact CB-CG 3.5Å; W607-M624 HydrophobicContact CB-SD 3.85Å; W607-M624 HydrophobicContact CD2-CG 4.34Å; W607-M624 HydrophobicContact CE3-CG 3.81Å; W607-M624 HydrophobicContact CG-CG 4.28Å; R608-M624 HydrophobicContact CB-SD 4.28Å; T611-M624 HydrophobicContact CG2-CE 3.77Å; A620-M624 WeakPolarHBondContact O-CG 3.31Å; A620-M624 PolarHBondContact O-N 3.44Å; W621-M624 HydrophobicContact CD2-CE 3.88Å; W621-M624 HydrophobicContact CE3-CE 3.29Å; W621-M624 HydrophobicContact CG-CE 4.47Å; W621-M624 HydrophobicContact CZ3-CE 3.69Å; W621-M624 PolarHBondContact O-N 3.1Å; N622-M624 PolarHBondContact O-N 3.2Å; M624-L627 PolarHBondContact O-N 3.07Å; M624-L628 WeakPolarHBondContact O-CB 3.18Å; M624-L628 WeakPolarHBondContact O-CG 3.43Å; M624-L628 PolarHBondContact O-N 3.37Å; M624-I640 HydrophobicContact CB-CD1 4.5Å; M624-I640 HydrophobicContact CB-CG2 4.1Å; M624-I640 HydrophobicContact CE-CG2 4.25Å |
| 625 | V | 97.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.4 | -47.2 | 178 | 176.7 | 0 | 0 | 0 | 0 | 110.7 | W621 N622 L627 L628 D629 I640 V661 | W621-V625 WeakPolarHBondContact O-CG2 3.32Å; W621-V625 PolarHBondContact O-N 3.49Å; W621-V625 VanDerWaalsContact O-N 3.14Å; N622-V625 PolarHBondContact O-N 2.91Å; V625-L627 PolarHBondContact O-N 3.29Å; V625-L628 PolarHBondContact O-N 3.35Å; V625-D629 WeakPolarHBondContact O-CB 3.48Å; V625-D629 PolarHBondContact O-N 3.3Å; V625-I640 HydrophobicContact CG2-CG2 4.04Å; V625-V661 HydrophobicContact CG1-CG2 4.06Å |
| 626 | I | 96.9 | Very high | 96.2 | Very high | 63 Ų | 63 | 41.9 Ų | 41.9 | 32% | 0.323 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.8 | -44 | 178.8 | -69.3 | 170 | 0 | 0 | 0 | 111 | N622 N623 D629 N630 | N622-I626 VanDerWaalsContact ND2-CD1 3.35Å; N622-I626 WeakPolarHBondContact ND2-CD1 3.49Å; N622-I626 WeakPolarHBondContact O-CG1 3.48Å; N622-I626 PolarHBondContact O-N 2.83Å; N623-I626 PolarHBondContact O-N 2.64Å; I626-D629 PolarHBondContact O-N 2.9Å; I626-N630 WeakPolarHBondContact O-CB 3.35Å; I626-N630 VanDerWaalsContact O-CG 3.23Å; I626-N630 PolarHBondContact O-N 3.2Å; I626-N630 PolarHBondContact O-ND2 3.36Å |
| 627 | L | 97 | Very high | 96.3 | Very high | 15 Ų | 15 | 37.4 Ų | 37.4 | 8% | 0.079 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65 | -42.9 | -179.6 | 179.7 | 61 | 0 | 0 | 0 | 112.1 | H600 A603 L604 W607 N623 M624 V625 D629 N630 T631 | H600-L627 HydrophobicContact CB-CD1 4.27Å; H600-L627 HydrophobicContact CB-CD2 4.23Å; H600-L627 WeakPolarHBondContact ND1-CD1 3.34Å; A603-L627 HydrophobicContact CB-CD2 3.81Å; L604-L627 HydrophobicContact CD2-CD2 4.01Å; L604-L627 HydrophobicContact CG-CD2 3.89Å; W607-L627 HydrophobicContact CE3-CD2 4.36Å; W607-L627 HydrophobicContact CH2-CD2 4.27Å; W607-L627 HydrophobicContact CZ3-CB 3.89Å; W607-L627 HydrophobicContact CZ3-CD2 3.55Å; W607-L627 HydrophobicContact CZ3-CG 4.33Å; N623-L627 VanDerWaalsContact O-CB 3.26Å; N623-L627 WeakPolarHBondContact O-CB 3.43Å; N623-L627 PolarHBondContact O-N 3.2Å; M624-L627 PolarHBondContact O-N 3.07Å; V625-L627 PolarHBondContact O-N 3.29Å; L627-D629 VanDerWaalsContact C-N 3.33Å; L627-N630 PolarHBondContact O-N 2.89Å; L627-T631 HydrophobicContact CD1-CG2 4.27Å; L627-T631 WeakPolarHBondContact O-CB 3.36Å; L627-T631 WeakPolarHBondContact O-CG2 3.37Å; L627-T631 PolarHBondContact O-N 3.17Å; L627-T631 PolarHBondContact O-OG1 3.02Å |
| 628 | L | 96.8 | Very high | 96.3 | Very high | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67 | -35.1 | 175.8 | -72.1 | 166.7 | 0 | 0 | 0 | 112.3 | L604 M624 V625 T631 G632 N633 Q636 A637 I640 | L604-L628 HydrophobicContact CD1-CD2 3.7Å; L604-L628 HydrophobicContact CD1-CG 4.21Å; L604-L628 HydrophobicContact CD2-CD1 4.24Å; L604-L628 HydrophobicContact CD2-CD2 4.41Å; L604-L628 HydrophobicContact CD2-CG 3.99Å; M624-L628 WeakPolarHBondContact O-CB 3.18Å; M624-L628 WeakPolarHBondContact O-CG 3.43Å; M624-L628 PolarHBondContact O-N 3.37Å; V625-L628 PolarHBondContact O-N 3.35Å; L628-T631 WeakPolarHBondContact CA-OG1 3.49Å; L628-T631 PolarHBondContact O-OG1 3.21Å; L628-G632 PolarHBondContact O-N 3.17Å; L628-N633 HydrophobicContact CD2-CB 3.93Å; L628-N633 PolarHBondContact O-N 3.01Å; L628-Q636 HydrophobicContact CD1-CB 4.11Å; L628-Q636 HydrophobicContact CD1-CG 3.78Å; L628-Q636 HydrophobicContact CD2-CB 4.22Å; L628-Q636 HydrophobicContact CD2-CG 4.21Å; L628-A637 HydrophobicContact CB-CB 3.6Å; L628-I640 HydrophobicContact CD1-CD1 3.5Å; L628-I640 VanDerWaalsContact CD1-CD1 3.5Å; L628-I640 HydrophobicContact CD1-CG1 4.28Å |
| 629 | D | 95.3 | Very high | 96.4 | Very high | 22 Ų | 22 | 41.5 Ų | 41.5 | 12% | 0.118 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.9 | -46.6 | 173.4 | -173.5 | 31.7 | 0 | 0 | 0 | 111.6 | V625 I626 L627 T631 G632 L634 V661 K664 | V625-D629 WeakPolarHBondContact O-CB 3.48Å; V625-D629 PolarHBondContact O-N 3.3Å; I626-D629 PolarHBondContact O-N 2.9Å; L627-D629 VanDerWaalsContact C-N 3.33Å; D629-T631 VanDerWaalsContact C-N 3.32Å; D629-T631 PolarHBondContact O-N 3.3Å; D629-G632 PolarHBondContact O-N 3.41Å; D629-G632 VanDerWaalsContact O-N 3.16Å; D629-L634 WeakPolarHBondContact OD1-CD2 3.31Å; D629-V661 HydrophobicContact CB-CG2 3.82Å; D629-K664 WeakPolarHBondContact OD1-CD 3.48Å; D629-K664 WeakPolarHBondContact OD1-CE 3.49Å; D629-K664 IonicContact OD1-NZ 3.29Å; D629-K664 PolarHBondContact OD1-NZ 3.4Å; D629-K664 IonicContact OD2-NZ 2.82Å; D629-K664 PolarHBondContact OD2-NZ 2.94Å |
| 630 | N | 93.8 | Very high | 96.4 | Very high | 119 Ų | 119 | 38 Ų | 38 | 64% | 0.636 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -67.2 | -31.7 | 179.5 | -71.1 | -14 | 0 | 0 | 0 | 112.8 | I626 L627 G632 | I626-N630 WeakPolarHBondContact O-CB 3.35Å; I626-N630 VanDerWaalsContact O-CG 3.23Å; I626-N630 PolarHBondContact O-N 3.2Å; I626-N630 PolarHBondContact O-ND2 3.36Å; L627-N630 PolarHBondContact O-N 2.89Å; N630-G632 VanDerWaalsContact C-N 3.28Å |
| 631 | T | 93.3 | Very high | 96.3 | Very high | 67 Ų | 67 | 38 Ų | 38 | 41% | 0.411 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | 0.4 | 176 | 52.8 | 0 | 0 | 0 | 0 | 113.2 | H600 L627 L628 D629 N633 | H600-T631 HydrophobicContact CB-CG2 4.39Å; L627-T631 HydrophobicContact CD1-CG2 4.27Å; L627-T631 WeakPolarHBondContact O-CB 3.36Å; L627-T631 WeakPolarHBondContact O-CG2 3.37Å; L627-T631 PolarHBondContact O-N 3.17Å; L627-T631 PolarHBondContact O-OG1 3.02Å; L628-T631 WeakPolarHBondContact CA-OG1 3.49Å; L628-T631 PolarHBondContact O-OG1 3.21Å; D629-T631 VanDerWaalsContact C-N 3.32Å; D629-T631 PolarHBondContact O-N 3.3Å; T631-N633 VanDerWaalsContact C-N 3.28Å; T631-N633 PolarHBondContact O-N 3.11Å |
| 632 | G | 93.1 | Very high | 96.3 | Very high | 53 Ų | 53 | 40.6 Ų | 40.6 | 55% | 0.546 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.4 | 3.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115 | L628 D629 N630 L634 | L628-G632 PolarHBondContact O-N 3.17Å; D629-G632 PolarHBondContact O-N 3.41Å; D629-G632 VanDerWaalsContact O-N 3.16Å; N630-G632 VanDerWaalsContact C-N 3.28Å; G632-L634 PolarHBondContact O-N 3.3Å |
| 633 | N | 95.3 | Very high | 96.2 | Very high | 71 Ų | 71 | 43.6 Ų | 43.6 | 38% | 0.38 | 25% | 0.246 | S | C | . | . | trans | -83.2 | 62.7 | 177.7 | -166.5 | -11.9 | 0 | 0 | 0 | 111.1 | L628 T631 G635 Q636 A637 | L628-N633 HydrophobicContact CD2-CB 3.93Å; L628-N633 PolarHBondContact O-N 3.01Å; T631-N633 VanDerWaalsContact C-N 3.28Å; T631-N633 PolarHBondContact O-N 3.11Å; N633-G635 VanDerWaalsContact C-N 3.32Å; N633-G635 PolarHBondContact O-N 3.23Å; N633-Q636 PolarHBondContact ND2-OE1 3.1Å; N633-Q636 PolarHBondContact O-N 3.46Å; N633-Q636 WeakPolarHBondContact OD1-CB 3.15Å; N633-A637 PolarHBondContact O-N 2.91Å | ||
| 634 | L | 95.9 | Very high | 96.1 | Very high | 36 Ų | 36 | 41.9 Ų | 41.9 | 19% | 0.188 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.3 | -34 | -170.4 | -59.2 | -179 | 0 | 0 | 0 | 113.3 | D629 G632 A637 E638 V661 K664 L665 | D629-L634 WeakPolarHBondContact OD1-CD2 3.31Å; G632-L634 PolarHBondContact O-N 3.3Å; L634-A637 PolarHBondContact O-N 3.32Å; L634-E638 PolarHBondContact O-N 2.85Å; L634-V661 HydrophobicContact CB-CG1 4.36Å; L634-V661 HydrophobicContact CD2-CG1 4.43Å; L634-V661 WeakPolarHBondContact O-CG1 3.46Å; L634-K664 HydrophobicContact CD1-CB 3.79Å; L634-K664 HydrophobicContact CD2-CB 4.36Å; L634-K664 HydrophobicContact CD2-CD 4.04Å; L634-L665 HydrophobicContact CB-CD1 4.28Å; L634-L665 HydrophobicContact CB-CD2 3.68Å; L634-L665 HydrophobicContact CB-CG 3.94Å; L634-L665 HydrophobicContact CD1-CD2 4.04Å; L634-L665 HydrophobicContact CD1-CG 4.28Å |
| 635 | G | 95.3 | Very high | 96.1 | Very high | 47 Ų | 47 | 42.6 Ų | 42.6 | 49% | 0.485 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -65.2 | -43.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | N633 E638 L639 | N633-G635 VanDerWaalsContact C-N 3.32Å; N633-G635 PolarHBondContact O-N 3.23Å; G635-E638 PolarHBondContact O-N 3.48Å; G635-L639 PolarHBondContact O-N 3.4Å; G635-L639 VanDerWaalsContact O-N 3.15Å |
| 636 | Q | 95.6 | Very high | 96 | Very high | 79 Ų | 79 | 50.7 Ų | 50.7 | 37% | 0.369 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -70.9 | -37.4 | 175.5 | -167.2 | 177.5 | -7.9 | 0 | 0 | 111.5 | L628 N633 E638 L639 I640 | L628-Q636 HydrophobicContact CD1-CB 4.11Å; L628-Q636 HydrophobicContact CD1-CG 3.78Å; L628-Q636 HydrophobicContact CD2-CB 4.22Å; L628-Q636 HydrophobicContact CD2-CG 4.21Å; N633-Q636 PolarHBondContact ND2-OE1 3.1Å; N633-Q636 PolarHBondContact O-N 3.46Å; N633-Q636 WeakPolarHBondContact OD1-CB 3.15Å; Q636-E638 VanDerWaalsContact C-N 3.3Å; Q636-E638 PolarHBondContact O-N 3.08Å; Q636-L639 PolarHBondContact O-N 3.16Å; Q636-I640 HydrophobicContact CG-CD1 4.28Å; Q636-I640 HydrophobicContact CG-CG1 4.44Å; Q636-I640 WeakPolarHBondContact O-CG1 3.35Å; Q636-I640 PolarHBondContact O-N 3.33Å |
| 637 | A | 97.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.8 | -42.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L628 N633 L634 G641 V661 | L628-A637 HydrophobicContact CB-CB 3.6Å; N633-A637 PolarHBondContact O-N 2.91Å; L634-A637 PolarHBondContact O-N 3.32Å; A637-G641 PolarHBondContact O-N 3.38Å; A637-V661 HydrophobicContact CB-CB 4.5Å; A637-V661 HydrophobicContact CB-CG1 3.85Å; A637-V661 HydrophobicContact CB-CG2 3.81Å |
| 638 | E | 97.6 | Very high | 95.8 | Very high | 25 Ų | 25 | 53 Ų | 53 | 12% | 0.117 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.5 | -48.1 | 175 | 179.4 | -179.3 | -178.8 | 0 | 0 | 111.6 | L634 G635 Q636 G641 R642 L658 V661 L662 L665 K667 | L634-E638 PolarHBondContact O-N 2.85Å; G635-E638 PolarHBondContact O-N 3.48Å; Q636-E638 VanDerWaalsContact C-N 3.3Å; Q636-E638 PolarHBondContact O-N 3.08Å; E638-G641 PolarHBondContact O-N 3.05Å; E638-R642 HydrophobicContact CG-CG 4.49Å; E638-R642 WeakPolarHBondContact O-CG 3.43Å; E638-R642 PolarHBondContact O-N 3.25Å; E638-R642 IonicContact OE1-CZ 3.57Å; E638-R642 VanDerWaalsContact OE1-CZ 3.31Å; E638-R642 IonicContact OE1-NE 3.4Å; E638-R642 PolarHBondContact OE1-NE 2.82Å; E638-R642 IonicContact OE1-NH2 3.45Å; E638-R642 PolarHBondContact OE1-NH2 3.48Å; E638-L658 HydrophobicContact CB-CD1 4.4Å; E638-L658 HydrophobicContact CG-CD1 4.28Å; E638-V661 HydrophobicContact CB-CG1 4.27Å; E638-L662 HydrophobicContact CG-CD2 3.94Å; E638-L665 HydrophobicContact CB-CD1 4.12Å; E638-L665 VanDerWaalsContact OE2-CD1 3.26Å; E638-L665 WeakPolarHBondContact OE2-CD1 3.25Å; E638-K667 IonicContact OE1-NZ 3.79Å; E638-K667 PolarHBondContact OE1-NZ 2.89Å; E638-K667 IonicContact OE2-NZ 2.67Å; E638-K667 PolarHBondContact OE2-NZ 3.26Å |
| 639 | L | 97.1 | Very high | 95.6 | Very high | 100 Ų | 100 | 56.5 Ų | 56.5 | 52% | 0.524 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -58.3 | -52.3 | -179.5 | -179.2 | 66.6 | 0 | 0 | 0 | 111.1 | G635 Q636 G641 R642 E643 | G635-L639 PolarHBondContact O-N 3.4Å; G635-L639 VanDerWaalsContact O-N 3.15Å; Q636-L639 PolarHBondContact O-N 3.16Å; L639-G641 PolarHBondContact O-N 2.89Å; L639-R642 PolarHBondContact O-N 2.97Å; L639-E643 WeakPolarHBondContact O-CG 3.17Å; L639-E643 PolarHBondContact O-N 3.36Å |
| 640 | I | 96.5 | Very high | 95.4 | Very high | 19 Ų | 19 | 61.1 Ų | 61.1 | 10% | 0.097 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.7 | -44.4 | -179.9 | -69.3 | -169.8 | 0 | 0 | 0 | 111 | W621 M624 V625 L628 Q636 R642 E643 A644 | W621-I640 HydrophobicContact CE3-CG2 3.75Å; W621-I640 HydrophobicContact CZ3-CG2 3.89Å; M624-I640 HydrophobicContact CB-CD1 4.5Å; M624-I640 HydrophobicContact CB-CG2 4.1Å; M624-I640 HydrophobicContact CE-CG2 4.25Å; V625-I640 HydrophobicContact CG2-CG2 4.04Å; L628-I640 HydrophobicContact CD1-CD1 3.5Å; L628-I640 VanDerWaalsContact CD1-CD1 3.5Å; L628-I640 HydrophobicContact CD1-CG1 4.28Å; Q636-I640 HydrophobicContact CG-CD1 4.28Å; Q636-I640 HydrophobicContact CG-CG1 4.44Å; Q636-I640 WeakPolarHBondContact O-CG1 3.35Å; Q636-I640 PolarHBondContact O-N 3.33Å; I640-R642 VanDerWaalsContact C-N 3.32Å; I640-R642 PolarHBondContact O-N 3.47Å; I640-E643 PolarHBondContact O-N 2.8Å; I640-A644 WeakPolarHBondContact O-CB 3.28Å; I640-A644 PolarHBondContact O-N 3.29Å |
| 641 | G | 96.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.8 | -39.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A637 E638 L639 A644 L645 | A637-G641 PolarHBondContact O-N 3.38Å; E638-G641 PolarHBondContact O-N 3.05Å; L639-G641 PolarHBondContact O-N 2.89Å; G641-A644 PolarHBondContact O-N 3.08Å; G641-L645 WeakPolarHBondContact O-CG 3.5Å; G641-L645 PolarHBondContact O-N 3.4Å |
| 642 | R | 96.9 | Very high | 95.4 | Very high | 76 Ų | 76 | 56.6 Ų | 56.6 | 29% | 0.287 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -68.9 | -40.9 | 175.5 | -71.6 | -177.8 | -172.5 | -82.4 | 2.8 | 112.5 | E638 L639 I640 A644 L645 K646 L658 E670 | E638-R642 HydrophobicContact CG-CG 4.49Å; E638-R642 WeakPolarHBondContact O-CG 3.43Å; E638-R642 PolarHBondContact O-N 3.25Å; E638-R642 IonicContact OE1-CZ 3.57Å; E638-R642 VanDerWaalsContact OE1-CZ 3.31Å; E638-R642 IonicContact OE1-NE 3.4Å; E638-R642 PolarHBondContact OE1-NE 2.82Å; E638-R642 IonicContact OE1-NH2 3.45Å; E638-R642 PolarHBondContact OE1-NH2 3.48Å; L639-R642 PolarHBondContact O-N 2.97Å; I640-R642 VanDerWaalsContact C-N 3.32Å; I640-R642 PolarHBondContact O-N 3.47Å; R642-A644 VanDerWaalsContact C-N 3.34Å; R642-L645 PolarHBondContact O-N 3.32Å; R642-K646 WeakPolarHBondContact O-CG 3.47Å; R642-K646 PolarHBondContact O-N 3.18Å; R642-L658 HydrophobicContact CG-CD2 4.07Å; R642-E670 IonicContact CZ-OE2 2.76Å; R642-E670 IonicContact NH1-OE2 2.81Å; R642-E670 PolarHBondContact NH1-OE2 2.87Å; R642-E670 IonicContact NH2-OE1 3.24Å; R642-E670 IonicContact NH2-OE2 2.66Å; R642-E670 PolarHBondContact NH2-OE2 3.44Å |
| 643 | E | 96.2 | Very high | 95.4 | Very high | 82 Ų | 82 | 56.2 Ų | 56.2 | 38% | 0.383 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -59.9 | -45.7 | 173.9 | -74.4 | -177.1 | 169.9 | 0 | 0 | 111.4 | L639 I640 L645 K646 L647 | L639-E643 WeakPolarHBondContact O-CG 3.17Å; L639-E643 PolarHBondContact O-N 3.36Å; I640-E643 PolarHBondContact O-N 2.8Å; E643-L645 PolarHBondContact O-N 3.34Å; E643-K646 WeakPolarHBondContact O-CB 3.45Å; E643-K646 PolarHBondContact O-N 3.24Å; E643-L647 PolarHBondContact O-N 2.96Å |
| 644 | A | 96.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.2 | -44.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | W621 I640 G641 R642 K646 L647 L648 I654 | W621-A644 HydrophobicContact CB-CB 3.77Å; W621-A644 HydrophobicContact CD2-CB 3.54Å; W621-A644 HydrophobicContact CE3-CB 3.65Å; W621-A644 HydrophobicContact CG-CB 3.61Å; W621-A644 HydrophobicContact CZ3-CB 4.43Å; I640-A644 WeakPolarHBondContact O-CB 3.28Å; I640-A644 PolarHBondContact O-N 3.29Å; G641-A644 PolarHBondContact O-N 3.08Å; R642-A644 VanDerWaalsContact C-N 3.34Å; A644-K646 VanDerWaalsContact C-N 3.32Å; A644-K646 PolarHBondContact O-N 3.48Å; A644-L647 PolarHBondContact O-N 3.34Å; A644-L647 VanDerWaalsContact O-N 3.11Å; A644-L648 WeakPolarHBondContact O-CB 3.49Å; A644-L648 PolarHBondContact O-N 3.18Å; A644-I654 HydrophobicContact CB-CD1 4.09Å; A644-I654 HydrophobicContact CB-CG2 3.96Å |
| 645 | L | 96.3 | Very high | 95.5 | Very high | 19 Ų | 19 | 51.2 Ų | 51.2 | 10% | 0.099 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -72.7 | -18.5 | 179 | -68.3 | 178.6 | 0 | 0 | 0 | 114.3 | G641 R642 E643 L647 L648 P649 I654 M655 L658 F674 | G641-L645 WeakPolarHBondContact O-CG 3.5Å; G641-L645 PolarHBondContact O-N 3.4Å; R642-L645 PolarHBondContact O-N 3.32Å; E643-L645 PolarHBondContact O-N 3.34Å; L645-L647 VanDerWaalsContact C-N 3.27Å; L645-L648 WeakPolarHBondContact CD2-O 3.44Å; L645-L648 CarbonylContact O-C 3.42Å; L645-P649 WeakPolarHBondContact O-CA 3.41Å; L645-I654 HydrophobicContact CD1-CG2 4.48Å; L645-I654 HydrophobicContact CD2-CB 3.93Å; L645-I654 HydrophobicContact CD2-CG2 3.8Å; L645-I654 HydrophobicContact CG-CB 4.48Å; L645-I654 HydrophobicContact CG-CG2 3.8Å; L645-M655 HydrophobicContact CD1-CG 3.98Å; L645-M655 HydrophobicContact CD2-CE 4.49Å; L645-M655 HydrophobicContact CD2-CG 3.82Å; L645-L658 HydrophobicContact CD1-CD2 3.66Å; L645-F674 HydrophobicContact CD1-CD1 3.99Å; L645-F674 HydrophobicContact CD1-CE1 3.46Å; L645-F674 VanDerWaalsContact CD1-CE1 3.46Å; L645-F674 HydrophobicContact CD1-CZ 4.1Å |
| 646 | K | 95.9 | Very high | 95.5 | Very high | 170 Ų | 170 | 51.1 Ų | 51.1 | 74% | 0.739 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -65.6 | -35.3 | 167.3 | -72.4 | 174.1 | -176 | 176.5 | 0 | 111.3 | R642 E643 A644 | R642-K646 WeakPolarHBondContact O-CG 3.47Å; R642-K646 PolarHBondContact O-N 3.18Å; E643-K646 WeakPolarHBondContact O-CB 3.45Å; E643-K646 PolarHBondContact O-N 3.24Å; A644-K646 VanDerWaalsContact C-N 3.32Å; A644-K646 PolarHBondContact O-N 3.48Å |
| 647 | L | 94.9 | Very high | 95.6 | Very high | 96 Ų | 96 | 47.7 Ų | 47.7 | 50% | 0.503 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -86.4 | -35.3 | 179.3 | -61.5 | 171.2 | 0 | 0 | 0 | 112 | P615 W621 E643 A644 L645 P649 | P615-L647 HydrophobicContact CB-CD1 4.15Å; W621-L647 HydrophobicContact CZ2-CD1 3.86Å; E643-L647 PolarHBondContact O-N 2.96Å; A644-L647 PolarHBondContact O-N 3.34Å; A644-L647 VanDerWaalsContact O-N 3.11Å; L645-L647 VanDerWaalsContact C-N 3.27Å; L647-P649 VanDerWaalsContact C-CD 3.49Å; L647-P649 WeakPolarHBondContact O-CD 3.41Å |
| 648 | L | 95.6 | Very high | 95.6 | Very high | 31 Ų | 31 | 47.7 Ų | 47.7 | 16% | 0.162 | 24% | 0.239 | C | C | . | . | trans | -124.8 | 68.6 | -174.3 | -64.9 | 175.1 | 0 | 0 | 0 | 110.6 | D616 A644 L645 N650 D651 I654 | D616-L648 HydrophobicContact CB-CD2 4.07Å; A644-L648 WeakPolarHBondContact O-CB 3.49Å; A644-L648 PolarHBondContact O-N 3.18Å; L645-L648 WeakPolarHBondContact CD2-O 3.44Å; L645-L648 CarbonylContact O-C 3.42Å; L648-N650 PolarHBondContact O-N 3.15Å; L648-N650 VanDerWaalsContact O-N 3.11Å; L648-D651 HydrophobicContact CB-CB 4.01Å; L648-D651 PolarHBondContact O-N 3.46Å; L648-I654 HydrophobicContact CD1-CD1 3.93Å | ||
| 649 | P | 92.7 | Very high | 95.6 | Very high | 74 Ų | 74 | 46.5 Ų | 46.5 | 48% | 0.481 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -17.1 | -169.2 | 26.3 | -36.2 | 0 | 0 | 0 | 114.8 | L645 L647 M655 | L645-P649 WeakPolarHBondContact O-CA 3.41Å; L647-P649 VanDerWaalsContact C-CD 3.49Å; L647-P649 WeakPolarHBondContact O-CD 3.41Å; P649-M655 WeakPolarHBondContact O-CE 3.43Å |
| 650 | N | 91.1 | Very high | 95.6 | Very high | 120 Ų | 120 | 43.4 Ų | 43.4 | 64% | 0.642 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -110.3 | 12.3 | -178.4 | -64 | -28.7 | 0 | 0 | 0 | 112.9 | L648 H652 I681 | L648-N650 PolarHBondContact O-N 3.15Å; L648-N650 VanDerWaalsContact O-N 3.11Å; N650-H652 PolarHBondContact O-N 3.46Å; N650-I681 WeakPolarHBondContact O-CD1 3.28Å |
| 651 | D | 94 | Very high | 95.6 | Very high | 30 Ų | 30 | 42.5 Ų | 42.5 | 16% | 0.16 | 21% | 0.212 | C | C | . | . | trans | -79.9 | 101.8 | -179.7 | -165.8 | -59.1 | 0 | 0 | 0 | 111.8 | S618 L648 T653 I654 M655 | S618-D651 WeakPolarHBondContact CB-OD2 3.35Å; S618-D651 PolarHBondContact OG-OD2 3.46Å; L648-D651 HydrophobicContact CB-CB 4.01Å; L648-D651 PolarHBondContact O-N 3.46Å; D651-T653 PolarHBondContact O-N 2.86Å; D651-T653 WeakPolarHBondContact OD1-CA 3.24Å; D651-T653 WeakPolarHBondContact OD1-CB 3.35Å; D651-T653 PolarHBondContact OD1-N 3.25Å; D651-T653 PolarHBondContact OD1-OG1 2.74Å; D651-I654 HydrophobicContact CB-CB 4.36Å; D651-I654 HydrophobicContact CB-CD1 3.97Å; D651-I654 HydrophobicContact CB-CG1 4.29Å; D651-I654 PolarHBondContact O-N 3.22Å; D651-I654 PolarHBondContact OD1-N 3.44Å; D651-I654 VanDerWaalsContact OD1-N 3.07Å; D651-M655 VanDerWaalsContact O-CG 3.29Å; D651-M655 WeakPolarHBondContact O-CG 3.39Å; D651-M655 PolarHBondContact O-N 3.04Å; D651-M655 VanDerWaalsContact O-N 3.11Å | ||
| 652 | H | 92.7 | Very high | 95.6 | Very high | 61 Ų | 61 | 42.5 Ų | 42.5 | 28% | 0.282 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -65.5 | -24.2 | -177.6 | 72.4 | 53.4 | 0 | 0 | 0 | 113.4 | N650 F656 A678 I681 | N650-H652 PolarHBondContact O-N 3.46Å; H652-F656 WeakPolarHBondContact O-CB 3.34Å; H652-F656 PolarHBondContact O-N 3.18Å; H652-A678 HydrophobicContact CB-CB 4.21Å; H652-I681 HydrophobicContact CB-CB 4.27Å; H652-I681 HydrophobicContact CB-CD1 4.19Å; H652-I681 HydrophobicContact CB-CG2 4.3Å |
| 653 | T | 94.6 | Very high | 95.6 | Very high | 44 Ų | 44 | 39 Ų | 39 | 27% | 0.27 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -75.1 | -43.5 | -177.4 | 63.9 | 0 | 0 | 0 | 0 | 110.5 | N622 D651 F656 S657 | N622-T653 PolarHBondContact OD1-O 3.09Å; D651-T653 PolarHBondContact O-N 2.86Å; D651-T653 WeakPolarHBondContact OD1-CA 3.24Å; D651-T653 WeakPolarHBondContact OD1-CB 3.35Å; D651-T653 PolarHBondContact OD1-N 3.25Å; D651-T653 PolarHBondContact OD1-OG1 2.74Å; T653-F656 PolarHBondContact O-N 2.86Å; T653-S657 PolarHBondContact O-N 3.02Å; T653-S657 PolarHBondContact O-OG 2.65Å |
| 654 | I | 96 | Very high | 95.5 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -67.8 | -40.6 | 175.7 | -59.7 | 169.9 | 0 | 0 | 0 | 110 | W621 N622 A644 L645 L648 D651 F656 S657 L658 | W621-I654 HydrophobicContact CB-CD1 3.76Å; W621-I654 HydrophobicContact CB-CG1 4.41Å; W621-I654 HydrophobicContact CG-CD1 4.49Å; N622-I654 HydrophobicContact CB-CG1 4.09Å; A644-I654 HydrophobicContact CB-CD1 4.09Å; A644-I654 HydrophobicContact CB-CG2 3.96Å; L645-I654 HydrophobicContact CD1-CG2 4.48Å; L645-I654 HydrophobicContact CD2-CB 3.93Å; L645-I654 HydrophobicContact CD2-CG2 3.8Å; L645-I654 HydrophobicContact CG-CB 4.48Å; L645-I654 HydrophobicContact CG-CG2 3.8Å; L648-I654 HydrophobicContact CD1-CD1 3.93Å; D651-I654 HydrophobicContact CB-CB 4.36Å; D651-I654 HydrophobicContact CB-CD1 3.97Å; D651-I654 HydrophobicContact CB-CG1 4.29Å; D651-I654 PolarHBondContact O-N 3.22Å; D651-I654 PolarHBondContact OD1-N 3.44Å; D651-I654 VanDerWaalsContact OD1-N 3.07Å; I654-F656 VanDerWaalsContact C-N 3.34Å; I654-F656 PolarHBondContact O-N 3.34Å; I654-S657 PolarHBondContact O-N 3.26Å; I654-L658 VanDerWaalsContact O-CB 3.28Å; I654-L658 WeakPolarHBondContact O-CB 3.32Å; I654-L658 PolarHBondContact O-N 3.32Å |
| 655 | M | 96.4 | Very high | 95.5 | Very high | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57 | -47.3 | 173.3 | -71 | 178.2 | -167.9 | 0 | 0 | 111.9 | L645 P649 D651 L658 A659 F674 H677 A678 I681 | L645-M655 HydrophobicContact CD1-CG 3.98Å; L645-M655 HydrophobicContact CD2-CE 4.49Å; L645-M655 HydrophobicContact CD2-CG 3.82Å; P649-M655 WeakPolarHBondContact O-CE 3.43Å; D651-M655 VanDerWaalsContact O-CG 3.29Å; D651-M655 WeakPolarHBondContact O-CG 3.39Å; D651-M655 PolarHBondContact O-N 3.04Å; D651-M655 VanDerWaalsContact O-N 3.11Å; M655-L658 PolarHBondContact O-N 2.69Å; M655-A659 VanDerWaalsContact O-CB 3.22Å; M655-A659 WeakPolarHBondContact O-CB 3.17Å; M655-A659 PolarHBondContact O-N 3.39Å; M655-F674 HydrophobicContact CB-CD1 4.32Å; M655-F674 HydrophobicContact CG-CD1 4.03Å; M655-H677 HydrophobicContact SD-CB 3.95Å; M655-A678 HydrophobicContact CB-CB 4.17Å; M655-I681 HydrophobicContact CE-CD1 4.35Å; M655-I681 HydrophobicContact SD-CD1 4.43Å |
| 656 | F | 95.9 | Very high | 95.4 | Very high | 45 Ų | 45 | 47.3 Ų | 47.3 | 20% | 0.197 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60 | -48.7 | 177.9 | 170.6 | -94.7 | 0 | 0 | 0 | 111.5 | H652 T653 I654 A659 N660 F675 C688 N691 | H652-F656 WeakPolarHBondContact O-CB 3.34Å; H652-F656 PolarHBondContact O-N 3.18Å; T653-F656 PolarHBondContact O-N 2.86Å; I654-F656 VanDerWaalsContact C-N 3.34Å; I654-F656 PolarHBondContact O-N 3.34Å; F656-A659 PolarHBondContact O-N 2.66Å; F656-N660 WeakPolarHBondContact CE1-ND2 3.46Å; F656-N660 PolarHBondContact O-N 2.95Å; F656-N660 VanDerWaalsContact O-N 3.14Å; F656-N660 PolarHBondContact O-ND2 3.26Å; F656-F675 HydrophobicContact CD2-CD1 4.12Å; F656-F675 AromaticContact CD2-CE1 3.69Å; F656-F675 HydrophobicContact CD2-CE1 3.69Å; F656-F675 AromaticContact CE2-CE1 3.96Å; F656-F675 HydrophobicContact CE2-CE1 3.96Å; F656-C688 HydrophobicContact CD2-CB 4.1Å; F656-C688 HydrophobicContact CE2-CB 4.31Å; F656-N691 HydrophobicContact CE2-CB 3.92Å; F656-N691 HydrophobicContact CZ-CB 4.32Å; F656-N691 WeakPolarHBondContact CZ-ND2 3.4Å |
| 657 | S | 97.1 | Very high | 95.4 | Very high | 8 Ų | 8 | 42.9 Ų | 42.9 | 6% | 0.056 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.7 | -43.7 | 179.1 | -62.4 | 0 | 0 | 0 | 0 | 112.4 | N622 T653 I654 A659 N660 V661 | N622-S657 WeakPolarHBondContact OD1-CB 3.44Å; N622-S657 PolarHBondContact OD1-OG 2.68Å; T653-S657 PolarHBondContact O-N 3.02Å; T653-S657 PolarHBondContact O-OG 2.65Å; I654-S657 PolarHBondContact O-N 3.26Å; S657-A659 PolarHBondContact O-N 3.14Å; S657-N660 WeakPolarHBondContact O-CB 3.42Å; S657-N660 PolarHBondContact O-N 3.3Å; S657-V661 WeakPolarHBondContact O-CG2 3.3Å; S657-V661 PolarHBondContact O-N 3.26Å |
| 658 | L | 97.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65 | -38.5 | 175.7 | 179.3 | 60.5 | 0 | 0 | 0 | 112 | E638 R642 L645 I654 M655 N660 V661 L662 F674 | E638-L658 HydrophobicContact CB-CD1 4.4Å; E638-L658 HydrophobicContact CG-CD1 4.28Å; R642-L658 HydrophobicContact CG-CD2 4.07Å; L645-L658 HydrophobicContact CD1-CD2 3.66Å; I654-L658 VanDerWaalsContact O-CB 3.28Å; I654-L658 WeakPolarHBondContact O-CB 3.32Å; I654-L658 PolarHBondContact O-N 3.32Å; M655-L658 PolarHBondContact O-N 2.69Å; L658-N660 VanDerWaalsContact C-N 3.31Å; L658-N660 PolarHBondContact O-N 2.75Å; L658-V661 WeakPolarHBondContact O-CB 2.88Å; L658-V661 PolarHBondContact O-N 2.97Å; L658-L662 HydrophobicContact CD1-CD1 4.35Å; L658-L662 HydrophobicContact CD1-CG 4.19Å; L658-L662 HydrophobicContact CG-CD1 3.96Å; L658-L662 HydrophobicContact CG-CG 4.28Å; L658-L662 WeakPolarHBondContact O-CG 3.4Å; L658-L662 PolarHBondContact O-N 3.36Å; L658-F674 HydrophobicContact CD2-CD2 4.39Å; L658-F674 HydrophobicContact CD2-CE1 4.38Å; L658-F674 HydrophobicContact CD2-CE2 3.93Å; L658-F674 HydrophobicContact CD2-CZ 3.92Å |
| 659 | A | 97.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.4 | -40.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | M655 F656 S657 L662 G663 S671 F674 F675 | M655-A659 VanDerWaalsContact O-CB 3.22Å; M655-A659 WeakPolarHBondContact O-CB 3.17Å; M655-A659 PolarHBondContact O-N 3.39Å; F656-A659 PolarHBondContact O-N 2.66Å; S657-A659 PolarHBondContact O-N 3.14Å; A659-L662 PolarHBondContact O-N 3.3Å; A659-G663 PolarHBondContact O-N 3.19Å; A659-S671 WeakPolarHBondContact O-CB 3.27Å; A659-S671 PolarHBondContact O-OG 3.1Å; A659-F674 HydrophobicContact CB-CB 3.81Å; A659-F675 HydrophobicContact CB-CD1 3.79Å; A659-F675 HydrophobicContact CB-CD2 3.62Å; A659-F675 HydrophobicContact CB-CE1 3.72Å; A659-F675 HydrophobicContact CB-CE2 3.56Å; A659-F675 HydrophobicContact CB-CG 3.73Å; A659-F675 HydrophobicContact CB-CZ 3.6Å |
| 660 | N | 96.1 | Very high | 95.7 | Very high | 34 Ų | 34 | 46.7 Ų | 46.7 | 18% | 0.182 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.1 | -46.8 | 173.5 | -68.7 | -49.6 | 0 | 0 | 0 | 111.6 | F656 S657 L658 G663 K664 F675 N691 | F656-N660 WeakPolarHBondContact CE1-ND2 3.46Å; F656-N660 PolarHBondContact O-N 2.95Å; F656-N660 VanDerWaalsContact O-N 3.14Å; F656-N660 PolarHBondContact O-ND2 3.26Å; S657-N660 WeakPolarHBondContact O-CB 3.42Å; S657-N660 PolarHBondContact O-N 3.3Å; L658-N660 VanDerWaalsContact C-N 3.31Å; L658-N660 PolarHBondContact O-N 2.75Å; N660-G663 PolarHBondContact O-N 3.42Å; N660-K664 PolarHBondContact O-N 2.88Å; N660-K664 VanDerWaalsContact O-N 3.08Å; N660-F675 WeakPolarHBondContact OD1-CZ 3.33Å; N660-N691 PolarHBondContact ND2-ND2 3.23Å; N660-N691 WeakPolarHBondContact OD1-CB 3.26Å; N660-N691 PolarHBondContact OD1-ND2 3.16Å |
| 661 | V | 97.3 | Very high | 96 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.8 | -48.8 | 177.2 | 173.3 | 0 | 0 | 0 | 0 | 111.2 | V625 D629 L634 A637 E638 S657 L658 G663 K664 L665 | V625-V661 HydrophobicContact CG1-CG2 4.06Å; D629-V661 HydrophobicContact CB-CG2 3.82Å; L634-V661 HydrophobicContact CB-CG1 4.36Å; L634-V661 HydrophobicContact CD2-CG1 4.43Å; L634-V661 WeakPolarHBondContact O-CG1 3.46Å; A637-V661 HydrophobicContact CB-CB 4.5Å; A637-V661 HydrophobicContact CB-CG1 3.85Å; A637-V661 HydrophobicContact CB-CG2 3.81Å; E638-V661 HydrophobicContact CB-CG1 4.27Å; S657-V661 WeakPolarHBondContact O-CG2 3.3Å; S657-V661 PolarHBondContact O-N 3.26Å; L658-V661 WeakPolarHBondContact O-CB 2.88Å; L658-V661 PolarHBondContact O-N 2.97Å; V661-G663 VanDerWaalsContact C-N 3.29Å; V661-G663 PolarHBondContact O-N 3.29Å; V661-K664 WeakPolarHBondContact O-CB 3.3Å; V661-K664 PolarHBondContact O-N 2.94Å; V661-K664 VanDerWaalsContact O-N 3.1Å; V661-L665 HydrophobicContact CG1-CD1 4.06Å; V661-L665 PolarHBondContact O-N 3.27Å |
| 662 | L | 97.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62 | -36.8 | 179 | -70.1 | 171.1 | 0 | 0 | 0 | 112.3 | E638 L658 A659 K664 L665 Q666 K667 E670 F674 | E638-L662 HydrophobicContact CG-CD2 3.94Å; L658-L662 HydrophobicContact CD1-CD1 4.35Å; L658-L662 HydrophobicContact CD1-CG 4.19Å; L658-L662 HydrophobicContact CG-CD1 3.96Å; L658-L662 HydrophobicContact CG-CG 4.28Å; L658-L662 WeakPolarHBondContact O-CG 3.4Å; L658-L662 PolarHBondContact O-N 3.36Å; A659-L662 PolarHBondContact O-N 3.3Å; L662-K664 VanDerWaalsContact C-N 3.35Å; L662-L665 CarbonylContact O-C 3.4Å; L662-L665 PolarHBondContact O-N 3.4Å; L662-Q666 PolarHBondContact O-N 2.89Å; L662-Q666 VanDerWaalsContact O-N 3.16Å; L662-K667 HydrophobicContact CB-CB 4.29Å; L662-K667 HydrophobicContact CD2-CB 4.13Å; L662-K667 HydrophobicContact CD2-CD 3.68Å; L662-K667 PolarHBondContact O-N 3.49Å; L662-E670 HydrophobicContact CD1-CB 4.12Å; L662-F674 HydrophobicContact CD1-CD2 3.48Å; L662-F674 VanDerWaalsContact CD1-CD2 3.48Å; L662-F674 HydrophobicContact CD1-CE2 3.64Å |
| 663 | G | 95.8 | Very high | 96.3 | Very high | 4 Ų | 4 | 42 Ų | 42 | 4% | 0.041 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.4 | -38 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A659 N660 V661 Q666 L695 | A659-G663 PolarHBondContact O-N 3.19Å; N660-G663 PolarHBondContact O-N 3.42Å; V661-G663 VanDerWaalsContact C-N 3.29Å; V661-G663 PolarHBondContact O-N 3.29Å; G663-Q666 PolarHBondContact O-N 2.96Å; G663-L695 VanDerWaalsContact CA-CD1 3.48Å |
| 664 | K | 94.9 | Very high | 96.5 | Very high | 83 Ų | 83 | 41.8 Ų | 41.8 | 36% | 0.361 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -67.4 | -35.5 | 172.8 | -71.1 | 170 | 172.1 | 175.1 | 0 | 112.4 | D629 L634 N660 V661 L662 Q666 | D629-K664 WeakPolarHBondContact OD1-CD 3.48Å; D629-K664 WeakPolarHBondContact OD1-CE 3.49Å; D629-K664 IonicContact OD1-NZ 3.29Å; D629-K664 PolarHBondContact OD1-NZ 3.4Å; D629-K664 IonicContact OD2-NZ 2.82Å; D629-K664 PolarHBondContact OD2-NZ 2.94Å; L634-K664 HydrophobicContact CD1-CB 3.79Å; L634-K664 HydrophobicContact CD2-CB 4.36Å; L634-K664 HydrophobicContact CD2-CD 4.04Å; N660-K664 PolarHBondContact O-N 2.88Å; N660-K664 VanDerWaalsContact O-N 3.08Å; V661-K664 WeakPolarHBondContact O-CB 3.3Å; V661-K664 PolarHBondContact O-N 2.94Å; V661-K664 VanDerWaalsContact O-N 3.1Å; L662-K664 VanDerWaalsContact C-N 3.35Å; K664-Q666 PolarHBondContact O-N 2.97Å |
| 665 | L | 95.7 | Very high | 96.5 | Very high | 59 Ų | 59 | 41.9 Ų | 41.9 | 31% | 0.309 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | 3.5 | 172.6 | -69 | 171.7 | 0 | 0 | 0 | 114.3 | L634 E638 V661 L662 K667 | L634-L665 HydrophobicContact CB-CD1 4.28Å; L634-L665 HydrophobicContact CB-CD2 3.68Å; L634-L665 HydrophobicContact CB-CG 3.94Å; L634-L665 HydrophobicContact CD1-CD2 4.04Å; L634-L665 HydrophobicContact CD1-CG 4.28Å; E638-L665 HydrophobicContact CB-CD1 4.12Å; E638-L665 VanDerWaalsContact OE2-CD1 3.26Å; E638-L665 WeakPolarHBondContact OE2-CD1 3.25Å; V661-L665 HydrophobicContact CG1-CD1 4.06Å; V661-L665 PolarHBondContact O-N 3.27Å; L662-L665 CarbonylContact O-C 3.4Å; L662-L665 PolarHBondContact O-N 3.4Å; L665-K667 HydrophobicContact CB-CG 4.42Å; L665-K667 PolarHBondContact O-N 3.47Å |
| 666 | Q | 95 | Very high | 96.5 | Very high | 132 Ų | 132 | 45 Ų | 45 | 62% | 0.617 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.2 | 17.3 | -177.9 | -48.5 | -177.6 | 20.6 | 0 | 0 | 114.8 | L662 G663 K664 Y668 | L662-Q666 PolarHBondContact O-N 2.89Å; L662-Q666 VanDerWaalsContact O-N 3.16Å; G663-Q666 PolarHBondContact O-N 2.96Å; K664-Q666 PolarHBondContact O-N 2.97Å; Q666-Y668 HydrophobicContact CB-CE1 4.45Å; Q666-Y668 HydrophobicContact CB-CE2 3.86Å; Q666-Y668 VanDerWaalsContact O-CD2 3.29Å; Q666-Y668 WeakPolarHBondContact O-CD2 3.22Å; Q666-Y668 PolarHBondContact O-N 3.08Å |
| 667 | K | 96.9 | Very high | 96.4 | Very high | 78 Ų | 78 | 46 Ų | 46 | 34% | 0.339 | 22% | 0.223 | S | C | . | . | trans | -81.7 | 60.5 | 172.3 | -67.3 | 178.4 | 175 | 173.8 | 0 | 110.3 | E638 L662 L665 K669 E670 S671 | E638-K667 IonicContact OE1-NZ 3.79Å; E638-K667 PolarHBondContact OE1-NZ 2.89Å; E638-K667 IonicContact OE2-NZ 2.67Å; E638-K667 PolarHBondContact OE2-NZ 3.26Å; L662-K667 HydrophobicContact CB-CB 4.29Å; L662-K667 HydrophobicContact CD2-CB 4.13Å; L662-K667 HydrophobicContact CD2-CD 3.68Å; L662-K667 PolarHBondContact O-N 3.49Å; L665-K667 HydrophobicContact CB-CG 4.42Å; L665-K667 PolarHBondContact O-N 3.47Å; K667-K669 PolarHBondContact O-N 3.25Å; K667-E670 PolarHBondContact O-N 3.39Å; K667-S671 PolarHBondContact O-N 2.97Å | ||
| 668 | Y | 96.6 | Very high | 96.3 | Very high | 43 Ų | 43 | 45.8 Ų | 45.8 | 17% | 0.169 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.5 | -41.2 | -164.1 | -58.8 | -62.7 | 0 | 0 | 0 | 114.6 | Q666 E670 S671 E672 L695 R698 W699 | Q666-Y668 HydrophobicContact CB-CE1 4.45Å; Q666-Y668 HydrophobicContact CB-CE2 3.86Å; Q666-Y668 VanDerWaalsContact O-CD2 3.29Å; Q666-Y668 WeakPolarHBondContact O-CD2 3.22Å; Q666-Y668 PolarHBondContact O-N 3.08Å; Y668-E670 PolarHBondContact O-N 3.34Å; Y668-S671 PolarHBondContact O-N 3.14Å; Y668-E672 WeakPolarHBondContact O-CB 3.41Å; Y668-E672 PolarHBondContact O-N 3.44Å; Y668-L695 HydrophobicContact CD1-CD1 3.72Å; Y668-L695 HydrophobicContact CD1-CG 4.49Å; Y668-L695 HydrophobicContact CE1-CD1 4.42Å; Y668-R698 HydrophobicContact CE1-CB 4.42Å; Y668-W699 VanDerWaalsContact CB-CE3 3.49Å; Y668-W699 HydrophobicContact CD1-CB 3.96Å; Y668-W699 HydrophobicContact CD1-CD2 4.5Å; Y668-W699 HydrophobicContact CD1-CG 4.13Å; Y668-W699 HydrophobicContact CD2-CB 4.33Å; Y668-W699 AromaticContact CD2-CD1 3.53Å; Y668-W699 HydrophobicContact CD2-CD2 4.24Å; Y668-W699 AromaticContact CD2-CG 3.82Å; Y668-W699 HydrophobicContact CD2-CG 3.82Å; Y668-W699 AromaticContact CD2-NE1 3.86Å; Y668-W699 HydrophobicContact CE1-CB 4.27Å; Y668-W699 HydrophobicContact CE2-CG 4.43Å; Y668-W699 HydrophobicContact CG-CB 4Å; Y668-W699 AromaticContact CG-CD1 3.85Å; Y668-W699 AromaticContact CG-CD2 3.82Å; Y668-W699 HydrophobicContact CG-CD2 3.82Å; Y668-W699 HydrophobicContact CG-CE3 4.3Å; Y668-W699 AromaticContact CG-CG 3.65Å; Y668-W699 HydrophobicContact CG-CG 3.65Å |
| 669 | K | 96.3 | Very high | 96.1 | Very high | 159 Ų | 159 | 46.5 Ų | 46.5 | 69% | 0.691 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -63.4 | -41.2 | 179.1 | -70.8 | -178.3 | 177.9 | -178.7 | 0 | 112.5 | K667 S673 W699 | K667-K669 PolarHBondContact O-N 3.25Å; K669-S673 PolarHBondContact O-N 3.44Å; K669-S673 VanDerWaalsContact O-N 3.08Å; K669-W699 HydrophobicContact CB-CH2 4.35Å; K669-W699 HydrophobicContact CG-CH2 3.63Å; K669-W699 HydrophobicContact CG-CZ2 3.81Å |
| 670 | E | 95.9 | Very high | 96 | Very high | 79 Ų | 79 | 56.1 Ų | 56.1 | 37% | 0.369 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -70.7 | -42.6 | 178.5 | -65 | -175.1 | -109.3 | 0 | 0 | 111 | R642 L662 K667 Y668 E672 S673 F674 | R642-E670 IonicContact CZ-OE2 2.76Å; R642-E670 IonicContact NH1-OE2 2.81Å; R642-E670 PolarHBondContact NH1-OE2 2.87Å; R642-E670 IonicContact NH2-OE1 3.24Å; R642-E670 IonicContact NH2-OE2 2.66Å; R642-E670 PolarHBondContact NH2-OE2 3.44Å; L662-E670 HydrophobicContact CD1-CB 4.12Å; K667-E670 PolarHBondContact O-N 3.39Å; Y668-E670 PolarHBondContact O-N 3.34Å; E670-E672 PolarHBondContact O-N 3.34Å; E670-S673 WeakPolarHBondContact O-CB 3.35Å; E670-S673 PolarHBondContact O-N 3.48Å; E670-F674 VanDerWaalsContact O-CD2 3.25Å; E670-F674 WeakPolarHBondContact O-CD2 3.36Å; E670-F674 PolarHBondContact O-N 2.9Å; E670-F674 VanDerWaalsContact O-N 3.08Å |
| 671 | S | 97.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -57.2 | -47.7 | 173.7 | -179.3 | 0 | 0 | 0 | 0 | 111.9 | A659 K667 Y668 S673 F674 F675 L695 | A659-S671 WeakPolarHBondContact O-CB 3.27Å; A659-S671 PolarHBondContact O-OG 3.1Å; K667-S671 PolarHBondContact O-N 2.97Å; Y668-S671 PolarHBondContact O-N 3.14Å; S671-S673 VanDerWaalsContact C-N 3.34Å; S671-S673 PolarHBondContact O-N 3.42Å; S671-F674 PolarHBondContact O-N 3.32Å; S671-F675 VanDerWaalsContact O-CD2 3.27Å; S671-F675 WeakPolarHBondContact O-CD2 3.33Å; S671-F675 PolarHBondContact O-N 3.49Å; S671-F675 WeakPolarHBondContact OG-CE2 3.48Å; S671-L695 VanDerWaalsContact OG-CD1 3.28Å; S671-L695 WeakPolarHBondContact OG-CD1 3.19Å; S671-L695 WeakPolarHBondContact OG-CD2 3.33Å |
| 672 | E | 97.3 | Very high | 95.5 | Very high | 35 Ų | 35 | 63.2 Ų | 63.2 | 16% | 0.164 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -56.7 | -46.4 | 175.1 | 176.4 | -180 | -140.1 | 0 | 0 | 111.2 | Y668 E670 F674 F675 L676 L695 Y696 W699 K701 | Y668-E672 WeakPolarHBondContact O-CB 3.41Å; Y668-E672 PolarHBondContact O-N 3.44Å; E670-E672 PolarHBondContact O-N 3.34Å; E672-F674 PolarHBondContact O-N 3.47Å; E672-F675 PolarHBondContact O-N 3.08Å; E672-L676 HydrophobicContact CG-CD1 3.9Å; E672-L676 HydrophobicContact CG-CG 4.38Å; E672-L676 WeakPolarHBondContact O-CB 3.47Å; E672-L676 VanDerWaalsContact O-CG 3.26Å; E672-L676 WeakPolarHBondContact O-CG 3.28Å; E672-L676 PolarHBondContact O-N 3.36Å; E672-L695 HydrophobicContact CB-CD2 4.08Å; E672-Y696 HydrophobicContact CG-CE1 4.07Å; E672-Y696 WeakPolarHBondContact OE1-CE1 3.29Å; E672-Y696 PolarHBondContact OE1-OH 3.44Å; E672-W699 HydrophobicContact CB-CZ3 4.07Å; E672-W699 HydrophobicContact CG-CZ3 4.46Å; E672-W699 VanDerWaalsContact OE2-CH2 3.23Å; E672-W699 WeakPolarHBondContact OE2-CH2 3.44Å; E672-W699 WeakPolarHBondContact OE2-CZ3 3.33Å; E672-K701 IonicContact OE1-NZ 2.97Å; E672-K701 PolarHBondContact OE1-NZ 2.74Å; E672-K701 IonicContact OE2-NZ 3.88Å; E672-K701 PolarHBondContact OE2-NZ 3.37Å |
| 673 | S | 96.4 | Very high | 95.2 | Very high | 77 Ų | 77 | 66.9 Ų | 66.9 | 54% | 0.538 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -56.7 | -47.5 | 177.5 | -174.3 | 0 | 0 | 0 | 0 | 112.3 | K669 E670 S671 L676 H677 | K669-S673 PolarHBondContact O-N 3.44Å; K669-S673 VanDerWaalsContact O-N 3.08Å; E670-S673 WeakPolarHBondContact O-CB 3.35Å; E670-S673 PolarHBondContact O-N 3.48Å; S671-S673 VanDerWaalsContact C-N 3.34Å; S671-S673 PolarHBondContact O-N 3.42Å; S673-L676 PolarHBondContact O-N 2.92Å; S673-H677 WeakPolarHBondContact O-CB 3.43Å; S673-H677 PolarHBondContact O-N 3.25Å |
| 674 | F | 96.9 | Very high | 95 | Very high | 40 Ų | 40 | 72.8 Ų | 72.8 | 18% | 0.175 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -67.3 | -41.1 | 179.3 | -78 | -63.8 | 0 | 0 | 0 | 113 | L645 M655 L658 A659 L662 E670 S671 E672 H677 A678 | L645-F674 HydrophobicContact CD1-CD1 3.99Å; L645-F674 HydrophobicContact CD1-CE1 3.46Å; L645-F674 VanDerWaalsContact CD1-CE1 3.46Å; L645-F674 HydrophobicContact CD1-CZ 4.1Å; M655-F674 HydrophobicContact CB-CD1 4.32Å; M655-F674 HydrophobicContact CG-CD1 4.03Å; L658-F674 HydrophobicContact CD2-CD2 4.39Å; L658-F674 HydrophobicContact CD2-CE1 4.38Å; L658-F674 HydrophobicContact CD2-CE2 3.93Å; L658-F674 HydrophobicContact CD2-CZ 3.92Å; A659-F674 HydrophobicContact CB-CB 3.81Å; L662-F674 HydrophobicContact CD1-CD2 3.48Å; L662-F674 VanDerWaalsContact CD1-CD2 3.48Å; L662-F674 HydrophobicContact CD1-CE2 3.64Å; E670-F674 VanDerWaalsContact O-CD2 3.25Å; E670-F674 WeakPolarHBondContact O-CD2 3.36Å; E670-F674 PolarHBondContact O-N 2.9Å; E670-F674 VanDerWaalsContact O-N 3.08Å; S671-F674 PolarHBondContact O-N 3.32Å; E672-F674 PolarHBondContact O-N 3.47Å; F674-H677 PolarHBondContact O-N 3.44Å; F674-A678 WeakPolarHBondContact O-CB 3.35Å; F674-A678 PolarHBondContact O-N 3.49Å |
| 675 | F | 97.1 | Very high | 94.8 | Very high | 1 Ų | 1 | 69.5 Ų | 69.5 | 0% | 0.004 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62 | -45.3 | 174.1 | -79.6 | -57.1 | 0 | 0 | 0 | 112.1 | F656 A659 N660 S671 E672 H677 A678 L679 N691 L692 L695 | F656-F675 HydrophobicContact CD2-CD1 4.12Å; F656-F675 AromaticContact CD2-CE1 3.69Å; F656-F675 HydrophobicContact CD2-CE1 3.69Å; F656-F675 AromaticContact CE2-CE1 3.96Å; F656-F675 HydrophobicContact CE2-CE1 3.96Å; A659-F675 HydrophobicContact CB-CD1 3.79Å; A659-F675 HydrophobicContact CB-CD2 3.62Å; A659-F675 HydrophobicContact CB-CE1 3.72Å; A659-F675 HydrophobicContact CB-CE2 3.56Å; A659-F675 HydrophobicContact CB-CG 3.73Å; A659-F675 HydrophobicContact CB-CZ 3.6Å; N660-F675 WeakPolarHBondContact OD1-CZ 3.33Å; S671-F675 VanDerWaalsContact O-CD2 3.27Å; S671-F675 WeakPolarHBondContact O-CD2 3.33Å; S671-F675 PolarHBondContact O-N 3.49Å; S671-F675 WeakPolarHBondContact OG-CE2 3.48Å; E672-F675 PolarHBondContact O-N 3.08Å; F675-H677 VanDerWaalsContact C-N 3.3Å; F675-H677 PolarHBondContact O-N 3.06Å; F675-A678 PolarHBondContact O-N 2.97Å; F675-L679 WeakPolarHBondContact O-CB 3.33Å; F675-L679 WeakPolarHBondContact O-CG 3.5Å; F675-L679 PolarHBondContact O-N 3.42Å; F675-N691 HydrophobicContact CE1-CB 3.91Å; F675-N691 HydrophobicContact CZ-CB 3.89Å; F675-L692 HydrophobicContact CB-CB 4.23Å; F675-L692 HydrophobicContact CB-CD1 3.82Å; F675-L692 HydrophobicContact CB-CD2 4.24Å; F675-L692 HydrophobicContact CB-CG 4.31Å; F675-L692 HydrophobicContact CD2-CB 4.31Å; F675-L692 HydrophobicContact CD2-CD1 3.83Å; F675-L692 HydrophobicContact CG-CB 4.14Å; F675-L692 HydrophobicContact CG-CD1 4.1Å; F675-L695 HydrophobicContact CD2-CD2 3.89Å; F675-L695 HydrophobicContact CE2-CB 4.19Å; F675-L695 HydrophobicContact CE2-CD2 4.06Å |
| 676 | L | 95.6 | Very high | 94.7 | Very high | 67 Ų | 67 | 67.3 Ų | 67.3 | 35% | 0.351 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.9 | -37.5 | 178.1 | -69.4 | 177.4 | 0 | 0 | 0 | 111.4 | E672 S673 L679 R680 L692 | E672-L676 HydrophobicContact CG-CD1 3.9Å; E672-L676 HydrophobicContact CG-CG 4.38Å; E672-L676 WeakPolarHBondContact O-CB 3.47Å; E672-L676 VanDerWaalsContact O-CG 3.26Å; E672-L676 WeakPolarHBondContact O-CG 3.28Å; E672-L676 PolarHBondContact O-N 3.36Å; S673-L676 PolarHBondContact O-N 2.92Å; L676-L679 PolarHBondContact O-N 2.91Å; L676-R680 WeakPolarHBondContact O-CG 3.46Å; L676-R680 PolarHBondContact O-N 3.42Å; L676-L692 HydrophobicContact CD2-CD2 4.04Å |
| 677 | H | 94.4 | Very high | 94.5 | Very high | 67 Ų | 67 | 64.5 Ų | 64.5 | 31% | 0.31 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.8 | -46.6 | 174.3 | -162.4 | 171.6 | 0 | 0 | 0 | 111.5 | M655 S673 F674 F675 L679 R680 I681 | M655-H677 HydrophobicContact SD-CB 3.95Å; S673-H677 WeakPolarHBondContact O-CB 3.43Å; S673-H677 PolarHBondContact O-N 3.25Å; F674-H677 PolarHBondContact O-N 3.44Å; F675-H677 VanDerWaalsContact C-N 3.3Å; F675-H677 PolarHBondContact O-N 3.06Å; H677-L679 PolarHBondContact O-N 2.96Å; H677-R680 WeakPolarHBondContact O-CB 3.49Å; H677-R680 PolarHBondContact O-N 3.01Å; H677-I681 PolarHBondContact O-N 3.46Å |
| 678 | A | 94.3 | Very high | 94.4 | Very high | 4 Ų | 4 | 61 Ų | 61 | 3% | 0.033 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -57.1 | -39 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | H652 M655 F674 F675 I681 K682 | H652-A678 HydrophobicContact CB-CB 4.21Å; M655-A678 HydrophobicContact CB-CB 4.17Å; F674-A678 WeakPolarHBondContact O-CB 3.35Å; F674-A678 PolarHBondContact O-N 3.49Å; F675-A678 PolarHBondContact O-N 2.97Å; A678-I681 PolarHBondContact O-N 2.96Å; A678-K682 PolarHBondContact O-N 3.19Å |
| 679 | L | 94.5 | Very high | 94.4 | Very high | 15 Ų | 15 | 59.7 Ų | 59.7 | 8% | 0.079 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -71.6 | -28.3 | 175.7 | -73.6 | 169.2 | 0 | 0 | 0 | 114 | F675 L676 H677 I681 K682 P683 C688 L692 | F675-L679 WeakPolarHBondContact O-CB 3.33Å; F675-L679 WeakPolarHBondContact O-CG 3.5Å; F675-L679 PolarHBondContact O-N 3.42Å; L676-L679 PolarHBondContact O-N 2.91Å; H677-L679 PolarHBondContact O-N 2.96Å; L679-I681 PolarHBondContact O-N 3.2Å; L679-K682 CarbonylContact O-C 3.57Å; L679-K682 VanDerWaalsContact O-C 3.27Å; L679-P683 WeakPolarHBondContact O-CA 3.47Å; L679-P683 WeakPolarHBondContact O-CD 3.43Å; L679-P683 WeakPolarHBondContact O-CG 3.4Å; L679-C688 HydrophobicContact CD2-CB 3.76Å; L679-C688 HydrophobicContact CG-CB 4.26Å; L679-L692 HydrophobicContact CD1-CD2 3.78Å |
| 680 | R | 94.4 | Very high | 94.3 | Very high | 201 Ų | 201 | 52.1 Ų | 52.1 | 76% | 0.758 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -63.4 | -36 | 170.8 | -74.7 | 174.6 | -173.5 | 174.4 | 1.8 | 111.3 | L676 H677 | L676-R680 WeakPolarHBondContact O-CG 3.46Å; L676-R680 PolarHBondContact O-N 3.42Å; H677-R680 WeakPolarHBondContact O-CB 3.49Å; H677-R680 PolarHBondContact O-N 3.01Å |
| 681 | I | 90.7 | Very high | 94.3 | Very high | 74 Ų | 74 | 50.8 Ų | 50.8 | 38% | 0.379 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -78 | -45.3 | 178.2 | -58.3 | 171.9 | 0 | 0 | 0 | 110.4 | N650 H652 M655 H677 A678 L679 | N650-I681 WeakPolarHBondContact O-CD1 3.28Å; H652-I681 HydrophobicContact CB-CB 4.27Å; H652-I681 HydrophobicContact CB-CD1 4.19Å; H652-I681 HydrophobicContact CB-CG2 4.3Å; M655-I681 HydrophobicContact CE-CD1 4.35Å; M655-I681 HydrophobicContact SD-CD1 4.43Å; H677-I681 PolarHBondContact O-N 3.46Å; A678-I681 PolarHBondContact O-N 2.96Å; L679-I681 PolarHBondContact O-N 3.2Å |
| 682 | K | 91.6 | Very high | 94.3 | Very high | 110 Ų | 110 | 50.8 Ų | 50.8 | 48% | 0.478 | 27% | 0.265 | S | S | . | . | trans | -128 | 85 | 179.7 | -163.7 | 174.9 | -178.3 | 176.3 | 0 | 111.4 | A678 L679 N684 A685 | A678-K682 PolarHBondContact O-N 3.19Å; L679-K682 CarbonylContact O-C 3.57Å; L679-K682 VanDerWaalsContact O-C 3.27Å; K682-N684 VanDerWaalsContact C-N 3.31Å; K682-N684 PolarHBondContact O-N 3.08Å; K682-A685 HydrophobicContact CB-CB 4.45Å; K682-A685 HydrophobicContact CD-CB 4.24Å; K682-A685 HydrophobicContact CG-CB 4.14Å; K682-A685 WeakPolarHBondContact O-CB 3.36Å; K682-A685 PolarHBondContact O-N 2.94Å | ||
| 683 | P | 90.8 | Very high | 94.2 | Very high | 76 Ų | 76 | 49.1 Ų | 49.1 | 49% | 0.494 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -31 | -173.9 | -24.1 | 33.7 | 0 | 0 | 0 | 114.4 | L679 A685 H689 | L679-P683 WeakPolarHBondContact O-CA 3.47Å; L679-P683 WeakPolarHBondContact O-CD 3.43Å; L679-P683 WeakPolarHBondContact O-CG 3.4Å; P683-A685 VanDerWaalsContact C-N 3.31Å; P683-A685 PolarHBondContact O-N 3.42Å; P683-H689 PolarHBondContact O-NE2 3Å |
| 684 | N | 91.4 | Very high | 94.2 | Very high | 128 Ų | 128 | 47.4 Ų | 47.4 | 68% | 0.684 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | 25.3 | -174.7 | -62.3 | -17.4 | 0 | 0 | 0 | 112.8 | K682 A686 L715 | K682-N684 VanDerWaalsContact C-N 3.31Å; K682-N684 PolarHBondContact O-N 3.08Å; N684-A686 PolarHBondContact O-N 3.28Å; N684-L715 HydrophobicContact CB-CD2 4.18Å |
| 685 | A | 91.9 | Very high | 94.2 | Very high | 15 Ų | 15 | 45.8 Ų | 45.8 | 12% | 0.124 | 24% | 0.236 | C | C | . | . | trans | -83.7 | 94.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | K682 P683 S687 C688 H689 | K682-A685 HydrophobicContact CB-CB 4.45Å; K682-A685 HydrophobicContact CD-CB 4.24Å; K682-A685 HydrophobicContact CG-CB 4.14Å; K682-A685 WeakPolarHBondContact O-CB 3.36Å; K682-A685 PolarHBondContact O-N 2.94Å; P683-A685 VanDerWaalsContact C-N 3.31Å; P683-A685 PolarHBondContact O-N 3.42Å; A685-S687 VanDerWaalsContact C-N 3.34Å; A685-S687 PolarHBondContact O-N 3.49Å; A685-C688 HydrophobicContact CB-CB 3.71Å; A685-C688 WeakPolarHBondContact O-CB 3.42Å; A685-C688 PolarHBondContact O-N 3.45Å; A685-H689 PolarHBondContact O-N 3.41Å; A685-H689 VanDerWaalsContact O-N 3.13Å | ||
| 686 | A | 92.8 | Very high | 94.2 | Very high | 13 Ų | 13 | 46 Ų | 46 | 11% | 0.107 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -52.3 | -49.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | N684 C688 H689 G690 S712 L715 D716 | N684-A686 PolarHBondContact O-N 3.28Å; A686-C688 VanDerWaalsContact C-N 3.26Å; A686-C688 PolarHBondContact O-N 3.34Å; A686-H689 PolarHBondContact O-N 3.2Å; A686-H689 VanDerWaalsContact O-N 3.08Å; A686-G690 PolarHBondContact O-N 2.94Å; A686-S712 PolarHBondContact O-OG 2.96Å; A686-L715 HydrophobicContact CB-CB 3.8Å; A686-D716 HydrophobicContact CB-CB 3.58Å |
| 687 | S | 92.2 | Very high | 94.1 | Very high | 73 Ų | 73 | 44.2 Ų | 44.2 | 51% | 0.51 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -57 | -35.7 | 177.2 | 56.9 | 0 | 0 | 0 | 0 | 113.9 | A685 G690 N691 | A685-S687 VanDerWaalsContact C-N 3.34Å; A685-S687 PolarHBondContact O-N 3.49Å; S687-G690 PolarHBondContact O-N 3.17Å; S687-N691 PolarHBondContact O-N 3.45Å |
| 688 | C | 94.1 | Very high | 94 | Very high | 5 Ų | 5 | 46.9 Ų | 46.9 | 3% | 0.034 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -68.3 | -43.8 | 176.3 | -163.1 | 0 | 0 | 0 | 0 | 111.5 | F656 L679 A685 A686 L692 | F656-C688 HydrophobicContact CD2-CB 4.1Å; F656-C688 HydrophobicContact CE2-CB 4.31Å; L679-C688 HydrophobicContact CD2-CB 3.76Å; L679-C688 HydrophobicContact CG-CB 4.26Å; A685-C688 HydrophobicContact CB-CB 3.71Å; A685-C688 WeakPolarHBondContact O-CB 3.42Å; A685-C688 PolarHBondContact O-N 3.45Å; A686-C688 VanDerWaalsContact C-N 3.26Å; A686-C688 PolarHBondContact O-N 3.34Å; C688-L692 VanDerWaalsContact O-CB 3.27Å; C688-L692 WeakPolarHBondContact O-CB 3.4Å; C688-L692 PolarHBondContact O-N 3.2Å |
| 689 | H | 95.8 | Very high | 94.1 | Very high | 14 Ų | 14 | 50 Ų | 50 | 7% | 0.065 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64 | -42.2 | 172.9 | -75.2 | -53.6 | 0 | 0 | 0 | 112.7 | P683 A685 A686 L692 A693 H708 L711 | P683-H689 PolarHBondContact O-NE2 3Å; A685-H689 PolarHBondContact O-N 3.41Å; A685-H689 VanDerWaalsContact O-N 3.13Å; A686-H689 PolarHBondContact O-N 3.2Å; A686-H689 VanDerWaalsContact O-N 3.08Å; H689-L692 PolarHBondContact O-N 3.28Å; H689-A693 WeakPolarHBondContact O-CB 3.41Å; H689-A693 PolarHBondContact O-N 3.48Å; H689-H708 AromaticContact CE1-ND1 3.85Å; H689-H708 AromaticContact ND1-CE1 3.64Å; H689-H708 AromaticContact ND1-ND1 3.08Å; H689-H708 PolarHBondContact ND1-ND1 2.92Å; H689-L711 WeakPolarHBondContact CE1-CD2 3.45Å; H689-L711 WeakPolarHBondContact NE2-CD2 3.26Å |
| 690 | G | 95.1 | Very high | 94 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59 | -47.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A686 S687 A693 V694 S712 | A686-G690 PolarHBondContact O-N 2.94Å; S687-G690 PolarHBondContact O-N 3.17Å; G690-A693 WeakPolarHBondContact O-CB 3.45Å; G690-A693 PolarHBondContact O-N 2.98Å; G690-V694 WeakPolarHBondContact O-CG2 3.35Å; G690-V694 PolarHBondContact O-N 2.92Å; G690-S712 PolarHBondContact N-OG 3.42Å |
| 691 | N | 95.5 | Very high | 94 | Very high | 51 Ų | 51 | 45.1 Ų | 45.1 | 27% | 0.273 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -73.8 | -33 | 179.9 | -74.9 | 11.5 | 0 | 0 | 0 | 113.3 | F656 N660 F675 S687 A693 V694 L695 | F656-N691 HydrophobicContact CE2-CB 3.92Å; F656-N691 HydrophobicContact CZ-CB 4.32Å; F656-N691 WeakPolarHBondContact CZ-ND2 3.4Å; N660-N691 PolarHBondContact ND2-ND2 3.23Å; N660-N691 WeakPolarHBondContact OD1-CB 3.26Å; N660-N691 PolarHBondContact OD1-ND2 3.16Å; F675-N691 HydrophobicContact CE1-CB 3.91Å; F675-N691 HydrophobicContact CZ-CB 3.89Å; S687-N691 PolarHBondContact O-N 3.45Å; N691-A693 VanDerWaalsContact C-N 3.29Å; N691-A693 PolarHBondContact O-N 2.87Å; N691-V694 WeakPolarHBondContact O-CB 3.38Å; N691-V694 PolarHBondContact O-N 3.21Å; N691-L695 PolarHBondContact O-N 3.26Å |
| 692 | L | 96.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.6 | -36.8 | 170 | 179.6 | 56.6 | 0 | 0 | 0 | 111.3 | F675 L676 L679 C688 H689 L695 Y696 | F675-L692 HydrophobicContact CB-CB 4.23Å; F675-L692 HydrophobicContact CB-CD1 3.82Å; F675-L692 HydrophobicContact CB-CD2 4.24Å; F675-L692 HydrophobicContact CB-CG 4.31Å; F675-L692 HydrophobicContact CD2-CB 4.31Å; F675-L692 HydrophobicContact CD2-CD1 3.83Å; F675-L692 HydrophobicContact CG-CB 4.14Å; F675-L692 HydrophobicContact CG-CD1 4.1Å; L676-L692 HydrophobicContact CD2-CD2 4.04Å; L679-L692 HydrophobicContact CD1-CD2 3.78Å; C688-L692 VanDerWaalsContact O-CB 3.27Å; C688-L692 WeakPolarHBondContact O-CB 3.4Å; C688-L692 PolarHBondContact O-N 3.2Å; H689-L692 PolarHBondContact O-N 3.28Å; L692-L695 HydrophobicContact CD1-CD2 3.99Å; L692-L695 WeakPolarHBondContact O-CB 3.39Å; L692-L695 PolarHBondContact O-N 2.96Å; L692-Y696 HydrophobicContact CD1-CD2 4.26Å; L692-Y696 HydrophobicContact CD1-CE1 4.22Å; L692-Y696 HydrophobicContact CD1-CE2 3.7Å; L692-Y696 HydrophobicContact CD2-CE2 4.07Å; L692-Y696 HydrophobicContact CG-CD2 4.11Å; L692-Y696 HydrophobicContact CG-CE2 3.6Å; L692-Y696 WeakPolarHBondContact O-CD2 3.48Å; L692-Y696 PolarHBondContact O-N 2.82Å |
| 693 | A | 96.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.2 | -42.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | H689 G690 N691 L695 Y696 H697 A705 H708 Y709 | H689-A693 WeakPolarHBondContact O-CB 3.41Å; H689-A693 PolarHBondContact O-N 3.48Å; G690-A693 WeakPolarHBondContact O-CB 3.45Å; G690-A693 PolarHBondContact O-N 2.98Å; N691-A693 VanDerWaalsContact C-N 3.29Å; N691-A693 PolarHBondContact O-N 2.87Å; A693-L695 VanDerWaalsContact C-N 3.31Å; A693-L695 PolarHBondContact O-N 2.96Å; A693-Y696 PolarHBondContact O-N 3.35Å; A693-H697 WeakPolarHBondContact O-CB 3.41Å; A693-H697 PolarHBondContact O-N 3.16Å; A693-A705 WeakPolarHBondContact CB-O 3.43Å; A693-A705 WeakPolarHBondContact O-CB 3.39Å; A693-H708 HydrophobicContact CB-CB 3.69Å; A693-Y709 HydrophobicContact CB-CD1 3.44Å; A693-Y709 VanDerWaalsContact CB-CD1 3.44Å; A693-Y709 HydrophobicContact CB-CD2 3.75Å; A693-Y709 HydrophobicContact CB-CE1 3.52Å; A693-Y709 HydrophobicContact CB-CE2 3.84Å; A693-Y709 HydrophobicContact CB-CG 3.54Å |
| 694 | V | 95.8 | Very high | 94.4 | Very high | 41 Ų | 41 | 43 Ų | 43 | 25% | 0.248 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.3 | -42.1 | 172.9 | 173.1 | 0 | 0 | 0 | 0 | 111.2 | G690 N691 H697 R698 Y709 N725 | G690-V694 WeakPolarHBondContact O-CG2 3.35Å; G690-V694 PolarHBondContact O-N 2.92Å; N691-V694 WeakPolarHBondContact O-CB 3.38Å; N691-V694 PolarHBondContact O-N 3.21Å; V694-H697 PolarHBondContact O-N 2.89Å; V694-R698 WeakPolarHBondContact O-CG 3.39Å; V694-R698 PolarHBondContact O-N 3Å; V694-Y709 VanDerWaalsContact CA-OH 3.31Å; V694-Y709 WeakPolarHBondContact CA-OH 3.3Å; V694-Y709 HydrophobicContact CG2-CE1 4.04Å; V694-Y709 VanDerWaalsContact CG2-OH 3.32Å; V694-Y709 WeakPolarHBondContact CG2-OH 3.06Å; V694-Y709 PolarHBondContact N-OH 2.68Å; V694-N725 HydrophobicContact CG2-CB 4.44Å |
| 695 | L | 96.9 | Very high | 94.6 | Very high | 6 Ų | 6 | 36.9 Ų | 36.9 | 3% | 0.031 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57.6 | -51.7 | 174.2 | -178.8 | 74.5 | 0 | 0 | 0 | 111.2 | G663 Y668 S671 E672 F675 N691 L692 A693 H697 R698 W699 | G663-L695 VanDerWaalsContact CA-CD1 3.48Å; Y668-L695 HydrophobicContact CD1-CD1 3.72Å; Y668-L695 HydrophobicContact CD1-CG 4.49Å; Y668-L695 HydrophobicContact CE1-CD1 4.42Å; S671-L695 VanDerWaalsContact OG-CD1 3.28Å; S671-L695 WeakPolarHBondContact OG-CD1 3.19Å; S671-L695 WeakPolarHBondContact OG-CD2 3.33Å; E672-L695 HydrophobicContact CB-CD2 4.08Å; F675-L695 HydrophobicContact CD2-CD2 3.89Å; F675-L695 HydrophobicContact CE2-CB 4.19Å; F675-L695 HydrophobicContact CE2-CD2 4.06Å; N691-L695 PolarHBondContact O-N 3.26Å; L692-L695 HydrophobicContact CD1-CD2 3.99Å; L692-L695 WeakPolarHBondContact O-CB 3.39Å; L692-L695 PolarHBondContact O-N 2.96Å; A693-L695 VanDerWaalsContact C-N 3.31Å; A693-L695 PolarHBondContact O-N 2.96Å; L695-H697 VanDerWaalsContact C-N 3.32Å; L695-H697 PolarHBondContact O-N 3Å; L695-R698 PolarHBondContact O-N 3.16Å; L695-W699 WeakPolarHBondContact O-CB 3.42Å; L695-W699 PolarHBondContact O-N 3.33Å |
| 696 | Y | 97.3 | Very high | 94.8 | Very high | 7 Ų | 7 | 39.5 Ų | 39.5 | 3% | 0.027 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.7 | -37.4 | 179.5 | -71.1 | -37.7 | 0 | 0 | 0 | 113.1 | E672 L692 A693 W699 G700 K701 L704 H708 | E672-Y696 HydrophobicContact CG-CE1 4.07Å; E672-Y696 WeakPolarHBondContact OE1-CE1 3.29Å; E672-Y696 PolarHBondContact OE1-OH 3.44Å; L692-Y696 HydrophobicContact CD1-CD2 4.26Å; L692-Y696 HydrophobicContact CD1-CE1 4.22Å; L692-Y696 HydrophobicContact CD1-CE2 3.7Å; L692-Y696 HydrophobicContact CD2-CE2 4.07Å; L692-Y696 HydrophobicContact CG-CD2 4.11Å; L692-Y696 HydrophobicContact CG-CE2 3.6Å; L692-Y696 WeakPolarHBondContact O-CD2 3.48Å; L692-Y696 PolarHBondContact O-N 2.82Å; A693-Y696 PolarHBondContact O-N 3.35Å; Y696-W699 HydrophobicContact CD1-CE3 4.09Å; Y696-W699 HydrophobicContact CE1-CE3 4.3Å; Y696-W699 HydrophobicContact CE1-CZ3 4.34Å; Y696-W699 CarbonylContact O-C 3.31Å; Y696-W699 PolarHBondContact O-N 3.32Å; Y696-G700 PolarHBondContact O-N 2.84Å; Y696-K701 HydrophobicContact CD1-CB 4.04Å; Y696-K701 HydrophobicContact CD1-CD 3.61Å; Y696-K701 HydrophobicContact CD1-CG 4.45Å; Y696-K701 HydrophobicContact CE1-CD 3.87Å; Y696-K701 HydrophobicContact CG-CB 4.29Å; Y696-K701 PolarHBondContact O-N 2.94Å; Y696-L704 HydrophobicContact CD1-CB 4.49Å; Y696-L704 HydrophobicContact CD2-CB 3.69Å; Y696-L704 HydrophobicContact CE1-CD1 4.48Å; Y696-L704 HydrophobicContact CE2-CB 3.97Å; Y696-L704 HydrophobicContact CG-CB 3.98Å; Y696-H708 AromaticContact CD2-CD2 3.88Å; Y696-H708 AromaticContact CE2-CD2 3.47Å; Y696-H708 VanDerWaalsContact CE2-CD2 3.47Å; Y696-H708 WeakPolarHBondContact CE2-CD2 3.07Å; Y696-H708 AromaticContact CE2-NE2 3.86Å |
| 697 | H | 94.4 | Very high | 94.9 | Very high | 29 Ų | 29 | 45.1 Ų | 45.1 | 13% | 0.134 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.1 | -45.2 | 175.9 | -170.5 | 179.5 | 0 | 0 | 0 | 110.5 | A693 V694 L695 G700 A705 Y709 | A693-H697 WeakPolarHBondContact O-CB 3.41Å; A693-H697 PolarHBondContact O-N 3.16Å; V694-H697 PolarHBondContact O-N 2.89Å; L695-H697 VanDerWaalsContact C-N 3.32Å; L695-H697 PolarHBondContact O-N 3Å; H697-G700 PolarHBondContact O-N 3.42Å; H697-A705 HydrophobicContact CB-CB 3.98Å; H697-Y709 HydrophobicContact CB-CE2 4.3Å |
| 698 | R | 92.7 | Very high | 95.1 | Very high | 123 Ų | 123 | 42.6 Ų | 42.6 | 46% | 0.464 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -66.5 | -35.3 | 175.5 | -70.6 | 179.9 | 69.1 | -175.5 | 0.2 | 113.1 | Y668 V694 L695 G700 | Y668-R698 HydrophobicContact CE1-CB 4.42Å; V694-R698 WeakPolarHBondContact O-CG 3.39Å; V694-R698 PolarHBondContact O-N 3Å; L695-R698 PolarHBondContact O-N 3.16Å; R698-G700 VanDerWaalsContact C-N 3.28Å |
| 699 | W | 94.9 | Very high | 95.3 | Very high | 70 Ų | 70 | 42.4 Ų | 42.4 | 27% | 0.265 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -77.5 | -12.6 | 178.1 | -167.5 | 6.4 | 0 | 0 | 0 | 113.1 | Y668 K669 E672 L695 Y696 K701 | Y668-W699 VanDerWaalsContact CB-CE3 3.49Å; Y668-W699 HydrophobicContact CD1-CB 3.96Å; Y668-W699 HydrophobicContact CD1-CD2 4.5Å; Y668-W699 HydrophobicContact CD1-CG 4.13Å; Y668-W699 HydrophobicContact CD2-CB 4.33Å; Y668-W699 AromaticContact CD2-CD1 3.53Å; Y668-W699 HydrophobicContact CD2-CD2 4.24Å; Y668-W699 AromaticContact CD2-CG 3.82Å; Y668-W699 HydrophobicContact CD2-CG 3.82Å; Y668-W699 AromaticContact CD2-NE1 3.86Å; Y668-W699 HydrophobicContact CE1-CB 4.27Å; Y668-W699 HydrophobicContact CE2-CG 4.43Å; Y668-W699 HydrophobicContact CG-CB 4Å; Y668-W699 AromaticContact CG-CD1 3.85Å; Y668-W699 AromaticContact CG-CD2 3.82Å; Y668-W699 HydrophobicContact CG-CD2 3.82Å; Y668-W699 HydrophobicContact CG-CE3 4.3Å; Y668-W699 AromaticContact CG-CG 3.65Å; Y668-W699 HydrophobicContact CG-CG 3.65Å; K669-W699 HydrophobicContact CB-CH2 4.35Å; K669-W699 HydrophobicContact CG-CH2 3.63Å; K669-W699 HydrophobicContact CG-CZ2 3.81Å; E672-W699 HydrophobicContact CB-CZ3 4.07Å; E672-W699 HydrophobicContact CG-CZ3 4.46Å; E672-W699 VanDerWaalsContact OE2-CH2 3.23Å; E672-W699 WeakPolarHBondContact OE2-CH2 3.44Å; E672-W699 WeakPolarHBondContact OE2-CZ3 3.33Å; L695-W699 WeakPolarHBondContact O-CB 3.42Å; L695-W699 PolarHBondContact O-N 3.33Å; Y696-W699 HydrophobicContact CD1-CE3 4.09Å; Y696-W699 HydrophobicContact CE1-CE3 4.3Å; Y696-W699 HydrophobicContact CE1-CZ3 4.34Å; Y696-W699 CarbonylContact O-C 3.31Å; Y696-W699 PolarHBondContact O-N 3.32Å; W699-K701 HydrophobicContact CD2-CD 3.94Å; W699-K701 HydrophobicContact CD2-CG 4.4Å; W699-K701 HydrophobicContact CE3-CD 3.69Å; W699-K701 HydrophobicContact CZ3-CD 4.04Å |
| 700 | G | 92.3 | Very high | 95.3 | Very high | 47 Ų | 47 | 45.9 Ų | 45.9 | 49% | 0.485 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.6 | 7.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y696 H697 R698 L702 | Y696-G700 PolarHBondContact O-N 2.84Å; H697-G700 PolarHBondContact O-N 3.42Å; R698-G700 VanDerWaalsContact C-N 3.28Å; G700-L702 PolarHBondContact O-N 3.27Å |
| 701 | K | 95.1 | Very high | 95.3 | Very high | 65 Ų | 65 | 48.7 Ų | 48.7 | 28% | 0.283 | 24% | 0.236 | S | C | . | . | trans | -80.7 | 65.9 | 172.6 | -70.8 | 176.8 | 168.5 | -178.2 | 0 | 110.3 | E672 Y696 W699 E703 L704 A705 | E672-K701 IonicContact OE1-NZ 2.97Å; E672-K701 PolarHBondContact OE1-NZ 2.74Å; E672-K701 IonicContact OE2-NZ 3.88Å; E672-K701 PolarHBondContact OE2-NZ 3.37Å; Y696-K701 HydrophobicContact CD1-CB 4.04Å; Y696-K701 HydrophobicContact CD1-CD 3.61Å; Y696-K701 HydrophobicContact CD1-CG 4.45Å; Y696-K701 HydrophobicContact CE1-CD 3.87Å; Y696-K701 HydrophobicContact CG-CB 4.29Å; Y696-K701 PolarHBondContact O-N 2.94Å; W699-K701 HydrophobicContact CD2-CD 3.94Å; W699-K701 HydrophobicContact CD2-CG 4.4Å; W699-K701 HydrophobicContact CE3-CD 3.69Å; W699-K701 HydrophobicContact CZ3-CD 4.04Å; K701-E703 PolarHBondContact O-N 2.95Å; K701-L704 HydrophobicContact CB-CB 4.28Å; K701-L704 HydrophobicContact CB-CD1 4.21Å; K701-L704 HydrophobicContact CD-CD1 3.93Å; K701-L704 HydrophobicContact CG-CD1 4.44Å; K701-L704 PolarHBondContact O-N 2.87Å; K701-A705 PolarHBondContact O-N 3.17Å | ||
| 702 | L | 93.7 | Very high | 95.3 | Very high | 24 Ų | 24 | 46.2 Ų | 46.2 | 13% | 0.126 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62 | -39.4 | -165 | -54.5 | -175.5 | 0 | 0 | 0 | 114.5 | G700 A705 K706 L729 L733 L736 | G700-L702 PolarHBondContact O-N 3.27Å; L702-A705 WeakPolarHBondContact O-CB 3.4Å; L702-A705 PolarHBondContact O-N 2.92Å; L702-K706 PolarHBondContact O-N 3.43Å; L702-L729 HydrophobicContact CB-CD1 4.03Å; L702-L729 HydrophobicContact CD2-CD1 3.65Å; L702-L729 HydrophobicContact CG-CD1 4.31Å; L702-L733 HydrophobicContact CB-CD2 3.77Å; L702-L733 HydrophobicContact CB-CG 4.49Å; L702-L733 HydrophobicContact CD1-CD2 3.83Å; L702-L733 HydrophobicContact CG-CD2 4.46Å; L702-L736 HydrophobicContact CD1-CD1 3.38Å |
| 703 | E | 92.3 | Very high | 95.3 | Very high | 123 Ų | 123 | 47.9 Ų | 47.9 | 58% | 0.575 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -67.5 | -38.4 | 178 | -68.6 | -56.4 | 140.7 | 0 | 0 | 112.5 | K701 K706 K707 | K701-E703 PolarHBondContact O-N 2.95Å; E703-K706 PolarHBondContact O-N 3.4Å; E703-K707 PolarHBondContact O-N 3.42Å |
| 704 | L | 95.1 | Very high | 95.3 | Very high | 68 Ų | 68 | 56.3 Ų | 56.3 | 36% | 0.356 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -68.5 | -38.2 | 174.2 | -72 | 170 | 0 | 0 | 0 | 111.3 | Y696 K701 K707 H708 | Y696-L704 HydrophobicContact CD1-CB 4.49Å; Y696-L704 HydrophobicContact CD2-CB 3.69Å; Y696-L704 HydrophobicContact CE1-CD1 4.48Å; Y696-L704 HydrophobicContact CE2-CB 3.97Å; Y696-L704 HydrophobicContact CG-CB 3.98Å; K701-L704 HydrophobicContact CB-CB 4.28Å; K701-L704 HydrophobicContact CB-CD1 4.21Å; K701-L704 HydrophobicContact CD-CD1 3.93Å; K701-L704 HydrophobicContact CG-CD1 4.44Å; K701-L704 PolarHBondContact O-N 2.87Å; L704-K707 PolarHBondContact O-N 3.46Å; L704-H708 PolarHBondContact O-CD2 3.3Å; L704-H708 PolarHBondContact O-N 2.87Å; L704-H708 VanDerWaalsContact O-N 3.13Å |
| 705 | A | 96 | Very high | 95.2 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59 | -48.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111 | A693 H697 K701 L702 K707 H708 Y709 L729 | A693-A705 WeakPolarHBondContact CB-O 3.43Å; A693-A705 WeakPolarHBondContact O-CB 3.39Å; H697-A705 HydrophobicContact CB-CB 3.98Å; K701-A705 PolarHBondContact O-N 3.17Å; L702-A705 WeakPolarHBondContact O-CB 3.4Å; L702-A705 PolarHBondContact O-N 2.92Å; A705-K707 PolarHBondContact O-N 3.12Å; A705-H708 PolarHBondContact O-N 2.99Å; A705-Y709 HydrophobicContact CB-CD2 4.44Å; A705-Y709 HydrophobicContact CB-CE2 4.2Å; A705-Y709 WeakPolarHBondContact O-CD2 3.26Å; A705-Y709 PolarHBondContact O-N 3.13Å; A705-L729 HydrophobicContact CB-CD1 4.49Å; A705-L729 HydrophobicContact CB-CD2 3.74Å |
| 706 | K | 95.8 | Very high | 95.1 | Very high | 70 Ų | 70 | 60.3 Ų | 60.3 | 30% | 0.304 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -55.1 | -51.9 | 176.6 | 174.4 | 175.2 | 179.3 | -166.1 | 0 | 111.6 | L702 E703 H708 Y709 E710 Y726 L729 L733 | L702-K706 PolarHBondContact O-N 3.43Å; E703-K706 PolarHBondContact O-N 3.4Å; K706-H708 VanDerWaalsContact C-N 3.3Å; K706-H708 PolarHBondContact O-N 2.96Å; K706-Y709 PolarHBondContact O-N 3.47Å; K706-E710 WeakPolarHBondContact CE-OE1 3.5Å; K706-E710 WeakPolarHBondContact O-CG 3.45Å; K706-E710 PolarHBondContact O-N 2.76Å; K706-Y726 HydrophobicContact CB-CE2 4.29Å; K706-Y726 WeakPolarHBondContact CE-OH 3.36Å; K706-Y726 HydrophobicContact CG-CE2 3.87Å; K706-L729 HydrophobicContact CB-CD2 3.96Å; K706-L733 HydrophobicContact CD-CD1 4.43Å |
| 707 | K | 96.2 | Very high | 94.9 | Very high | 131 Ų | 131 | 64 Ų | 64 | 57% | 0.57 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -54.4 | -44.8 | 179.5 | -178.9 | -179.4 | 178.4 | -179.8 | 0 | 112.3 | E703 L704 A705 L711 | E703-K707 PolarHBondContact O-N 3.42Å; L704-K707 PolarHBondContact O-N 3.46Å; A705-K707 PolarHBondContact O-N 3.12Å; K707-L711 WeakPolarHBondContact O-CB 3.36Å; K707-L711 PolarHBondContact O-N 2.75Å |
| 708 | H | 96.3 | Very high | 94.8 | Very high | 21 Ų | 21 | 69.8 Ų | 69.8 | 10% | 0.097 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -78.4 | -29.8 | -177.8 | -79.1 | -71.6 | 0 | 0 | 0 | 113.7 | H689 A693 Y696 L704 A705 K706 L711 S712 | H689-H708 AromaticContact CE1-ND1 3.85Å; H689-H708 AromaticContact ND1-CE1 3.64Å; H689-H708 AromaticContact ND1-ND1 3.08Å; H689-H708 PolarHBondContact ND1-ND1 2.92Å; A693-H708 HydrophobicContact CB-CB 3.69Å; Y696-H708 AromaticContact CD2-CD2 3.88Å; Y696-H708 AromaticContact CE2-CD2 3.47Å; Y696-H708 VanDerWaalsContact CE2-CD2 3.47Å; Y696-H708 WeakPolarHBondContact CE2-CD2 3.07Å; Y696-H708 AromaticContact CE2-NE2 3.86Å; L704-H708 PolarHBondContact O-CD2 3.3Å; L704-H708 PolarHBondContact O-N 2.87Å; L704-H708 VanDerWaalsContact O-N 3.13Å; A705-H708 PolarHBondContact O-N 2.99Å; K706-H708 VanDerWaalsContact C-N 3.3Å; K706-H708 PolarHBondContact O-N 2.96Å; H708-L711 PolarHBondContact O-N 3.32Å; H708-S712 WeakPolarHBondContact O-CB 3.13Å; H708-S712 PolarHBondContact O-N 3.19Å |
| 709 | Y | 97.2 | Very high | 94.6 | Very high | 1 Ų | 1 | 64.2 Ų | 64.2 | 0% | 0.004 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.7 | -46.1 | 168.9 | -77.7 | -52.6 | 0 | 0 | 0 | 111.4 | A693 V694 H697 A705 K706 L711 S712 L713 T722 N725 Y726 L729 | A693-Y709 HydrophobicContact CB-CD1 3.44Å; A693-Y709 VanDerWaalsContact CB-CD1 3.44Å; A693-Y709 HydrophobicContact CB-CD2 3.75Å; A693-Y709 HydrophobicContact CB-CE1 3.52Å; A693-Y709 HydrophobicContact CB-CE2 3.84Å; A693-Y709 HydrophobicContact CB-CG 3.54Å; V694-Y709 VanDerWaalsContact CA-OH 3.31Å; V694-Y709 WeakPolarHBondContact CA-OH 3.3Å; V694-Y709 HydrophobicContact CG2-CE1 4.04Å; V694-Y709 VanDerWaalsContact CG2-OH 3.32Å; V694-Y709 WeakPolarHBondContact CG2-OH 3.06Å; V694-Y709 PolarHBondContact N-OH 2.68Å; H697-Y709 HydrophobicContact CB-CE2 4.3Å; A705-Y709 HydrophobicContact CB-CD2 4.44Å; A705-Y709 HydrophobicContact CB-CE2 4.2Å; A705-Y709 WeakPolarHBondContact O-CD2 3.26Å; A705-Y709 PolarHBondContact O-N 3.13Å; K706-Y709 PolarHBondContact O-N 3.47Å; Y709-L711 VanDerWaalsContact C-N 3.34Å; Y709-L711 PolarHBondContact O-N 2.98Å; Y709-S712 PolarHBondContact O-N 3.1Å; Y709-L713 WeakPolarHBondContact O-CG 3.46Å; Y709-L713 PolarHBondContact O-N 3.43Å; Y709-T722 HydrophobicContact CD1-CG2 3.78Å; Y709-T722 HydrophobicContact CE1-CG2 4.49Å; Y709-N725 HydrophobicContact CE1-CB 3.75Å; Y709-N725 WeakPolarHBondContact OH-CB 3.41Å; Y709-Y726 AromaticContact CD2-CD2 3.69Å; Y709-Y726 HydrophobicContact CD2-CD2 3.69Å; Y709-Y726 HydrophobicContact CD2-CG 4.26Å; Y709-Y726 AromaticContact CG-CD2 3.89Å; Y709-Y726 HydrophobicContact CG-CD2 3.89Å; Y709-Y726 HydrophobicContact CG-CG 4.05Å; Y709-L729 HydrophobicContact CD2-CD2 3.68Å; Y709-L729 HydrophobicContact CE2-CB 4.25Å; Y709-L729 HydrophobicContact CE2-CD2 3.83Å |
| 710 | E | 95.8 | Very high | 94.1 | Very high | 86 Ų | 86 | 66.6 Ų | 66.6 | 40% | 0.402 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.2 | -42.1 | 177 | -71 | 174.5 | 168.8 | 0 | 0 | 111.7 | K706 L713 K714 Y726 | K706-E710 WeakPolarHBondContact CE-OE1 3.5Å; K706-E710 WeakPolarHBondContact O-CG 3.45Å; K706-E710 PolarHBondContact O-N 2.76Å; E710-L713 PolarHBondContact O-N 3.15Å; E710-K714 VanDerWaalsContact O-CB 3.28Å; E710-K714 WeakPolarHBondContact O-CB 3.14Å; E710-K714 PolarHBondContact O-N 3.4Å; E710-Y726 HydrophobicContact CG-CE1 4.03Å; E710-Y726 PolarHBondContact OE1-OH 3.05Å |
| 711 | L | 95.8 | Very high | 93.7 | Very high | 59 Ų | 59 | 66.1 Ų | 66.1 | 31% | 0.309 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -66 | -40.9 | 176.9 | -173.6 | 59.2 | 0 | 0 | 0 | 112.3 | H689 K707 H708 Y709 K714 L715 | H689-L711 WeakPolarHBondContact CE1-CD2 3.45Å; H689-L711 WeakPolarHBondContact NE2-CD2 3.26Å; K707-L711 WeakPolarHBondContact O-CB 3.36Å; K707-L711 PolarHBondContact O-N 2.75Å; H708-L711 PolarHBondContact O-N 3.32Å; Y709-L711 VanDerWaalsContact C-N 3.34Å; Y709-L711 PolarHBondContact O-N 2.98Å; L711-K714 PolarHBondContact O-N 2.96Å; L711-L715 HydrophobicContact CG-CD1 4.35Å; L711-L715 WeakPolarHBondContact O-CG 3.19Å; L711-L715 PolarHBondContact O-N 3.03Å; L711-L715 VanDerWaalsContact O-N 3.09Å |
| 712 | S | 96.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -58.5 | -51.8 | 174.1 | -176.1 | 0 | 0 | 0 | 0 | 111.1 | A686 G690 H708 Y709 K714 L715 D716 | A686-S712 PolarHBondContact O-OG 2.96Å; G690-S712 PolarHBondContact N-OG 3.42Å; H708-S712 WeakPolarHBondContact O-CB 3.13Å; H708-S712 PolarHBondContact O-N 3.19Å; Y709-S712 PolarHBondContact O-N 3.1Å; S712-K714 VanDerWaalsContact C-N 3.28Å; S712-K714 PolarHBondContact O-N 3.26Å; S712-L715 PolarHBondContact O-N 2.66Å; S712-L715 VanDerWaalsContact O-N 3.11Å; S712-D716 PolarHBondContact O-N 3.48Å |
| 713 | L | 95.6 | Very high | 93.5 | Very high | 35 Ų | 35 | 69.7 Ų | 69.7 | 18% | 0.183 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -68.5 | -25 | -179.7 | -67.1 | 171.6 | 0 | 0 | 0 | 113.4 | Y709 E710 D716 P717 T722 R723 Y726 | Y709-L713 WeakPolarHBondContact O-CG 3.46Å; Y709-L713 PolarHBondContact O-N 3.43Å; E710-L713 PolarHBondContact O-N 3.15Å; L713-D716 WeakPolarHBondContact CA-O 3.45Å; L713-D716 CarbonylContact O-C 3.25Å; L713-P717 VanDerWaalsContact O-CA 3.3Å; L713-P717 WeakPolarHBondContact O-CA 3.41Å; L713-T722 HydrophobicContact CD1-CG2 4.5Å; L713-T722 HydrophobicContact CD2-CG2 3.92Å; L713-T722 HydrophobicContact CG-CG2 3.85Å; L713-R723 HydrophobicContact CD2-CB 4.21Å; L713-Y726 HydrophobicContact CD1-CD1 3.97Å |
| 714 | K | 96.1 | Very high | 93.5 | Very high | 177 Ų | 177 | 68.9 Ų | 68.9 | 77% | 0.77 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -70.3 | -37.7 | 171.8 | -174.6 | -179.8 | -179.6 | -178.5 | 0 | 111.7 | E710 L711 S712 | E710-K714 VanDerWaalsContact O-CB 3.28Å; E710-K714 WeakPolarHBondContact O-CB 3.14Å; E710-K714 PolarHBondContact O-N 3.4Å; L711-K714 PolarHBondContact O-N 2.96Å; S712-K714 VanDerWaalsContact C-N 3.28Å; S712-K714 PolarHBondContact O-N 3.26Å |
| 715 | L | 94.6 | Very high | 93.4 | Very high | 66 Ų | 66 | 68.4 Ų | 68.4 | 35% | 0.346 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -77.7 | -38 | 178.6 | -69.5 | 168.7 | 0 | 0 | 0 | 111.8 | N684 A686 L711 S712 | N684-L715 HydrophobicContact CB-CD2 4.18Å; A686-L715 HydrophobicContact CB-CB 3.8Å; L711-L715 HydrophobicContact CG-CD1 4.35Å; L711-L715 WeakPolarHBondContact O-CG 3.19Å; L711-L715 PolarHBondContact O-N 3.03Å; L711-L715 VanDerWaalsContact O-N 3.09Å; S712-L715 PolarHBondContact O-N 2.66Å; S712-L715 VanDerWaalsContact O-N 3.11Å |
| 716 | D | 94.8 | Very high | 93.4 | Very high | 64 Ų | 64 | 69.6 Ų | 69.6 | 34% | 0.342 | 35% | 0.353 | S | S | . | . | trans | -144.9 | 101 | 176.9 | 179.2 | 7.7 | 0 | 0 | 0 | 109.8 | A686 S712 L713 E718 A719 | A686-D716 HydrophobicContact CB-CB 3.58Å; S712-D716 PolarHBondContact O-N 3.48Å; L713-D716 WeakPolarHBondContact CA-O 3.45Å; L713-D716 CarbonylContact O-C 3.25Å; D716-E718 PolarHBondContact O-N 3.16Å; D716-E718 PolarHBondContact OD1-N 3.44Å; D716-A719 HydrophobicContact CB-CB 4.17Å; D716-A719 VanDerWaalsContact O-CB 3.25Å; D716-A719 WeakPolarHBondContact O-CB 3.43Å; D716-A719 PolarHBondContact O-N 2.98Å; D716-A719 VanDerWaalsContact O-N 3.12Å; D716-A719 PolarHBondContact OD1-N 3.4Å | ||
| 717 | P | 92.6 | Very high | 93.2 | Very high | 84 Ų | 84 | 69.1 Ų | 69.1 | 55% | 0.545 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -24.7 | 179 | -26.3 | 35.7 | 0 | 0 | 0 | 114.4 | L713 | L713-P717 VanDerWaalsContact O-CA 3.3Å; L713-P717 WeakPolarHBondContact O-CA 3.41Å |
| 718 | E | 91 | Very high | 93 | Very high | 151 Ų | 151 | 68.2 Ų | 68.2 | 71% | 0.706 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.6 | 15.1 | -178.5 | -61.7 | -57.7 | 135.4 | 0 | 0 | 112.2 | D716 P720 | D716-E718 PolarHBondContact O-N 3.16Å; D716-E718 PolarHBondContact OD1-N 3.44Å; E718-P720 VanDerWaalsContact O-CD 3.27Å; E718-P720 WeakPolarHBondContact O-CD 3.45Å |
| 719 | A | 88.8 | Confident | 92.9 | Very high | 6 Ų | 6 | 67.2 Ų | 67.2 | 5% | 0.05 | 35% | 0.348 | C | S | . | . | trans | -51.6 | 114.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | D716 G721 T722 | D716-A719 HydrophobicContact CB-CB 4.17Å; D716-A719 VanDerWaalsContact O-CB 3.25Å; D716-A719 WeakPolarHBondContact O-CB 3.43Å; D716-A719 PolarHBondContact O-N 2.98Å; D716-A719 VanDerWaalsContact O-N 3.12Å; D716-A719 PolarHBondContact OD1-N 3.4Å; A719-G721 PolarHBondContact O-N 2.92Å; A719-T722 HydrophobicContact CB-CG2 4.42Å; A719-T722 WeakPolarHBondContact O-CB 3.46Å; A719-T722 PolarHBondContact O-N 3.24Å; A719-T722 VanDerWaalsContact O-N 3.11Å; A719-T722 PolarHBondContact O-OG1 3.02Å | ||
| 720 | P | 84.3 | Confident | 92.7 | Very high | 120 Ų | 120 | 73.2 Ų | 73.2 | 78% | 0.779 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | 130.8 | -170.1 | -28.7 | 34.9 | 0 | 0 | 0 | 113.1 | E718 T722 | E718-P720 VanDerWaalsContact O-CD 3.27Å; E718-P720 WeakPolarHBondContact O-CD 3.45Å; P720-T722 PolarHBondContact O-N 3.19Å |
| 721 | G | 85.3 | Confident | 92.4 | Very high | 38 Ų | 38 | 77.7 Ų | 77.7 | 39% | 0.392 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.6 | -5.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | A719 N725 | A719-G721 PolarHBondContact O-N 2.92Å; G721-N725 VanDerWaalsContact O-CB 3.31Å; G721-N725 WeakPolarHBondContact O-CB 3.35Å; G721-N725 PolarHBondContact O-N 3.3Å; G721-N725 PolarHBondContact O-ND2 2.87Å |
| 722 | T | 92.1 | Very high | 92 | Very high | 8 Ų | 8 | 79.3 Ų | 79.3 | 5% | 0.049 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -71.3 | -44.4 | -177.6 | -62.2 | 0 | 0 | 0 | 0 | 110.7 | Y709 L713 A719 P720 N725 Y726 | Y709-T722 HydrophobicContact CD1-CG2 3.78Å; Y709-T722 HydrophobicContact CE1-CG2 4.49Å; L713-T722 HydrophobicContact CD1-CG2 4.5Å; L713-T722 HydrophobicContact CD2-CG2 3.92Å; L713-T722 HydrophobicContact CG-CG2 3.85Å; A719-T722 HydrophobicContact CB-CG2 4.42Å; A719-T722 WeakPolarHBondContact O-CB 3.46Å; A719-T722 PolarHBondContact O-N 3.24Å; A719-T722 VanDerWaalsContact O-N 3.11Å; A719-T722 PolarHBondContact O-OG1 3.02Å; P720-T722 PolarHBondContact O-N 3.19Å; T722-N725 PolarHBondContact O-N 3.01Å; T722-Y726 WeakPolarHBondContact O-CB 3.48Å; T722-Y726 PolarHBondContact O-N 2.81Å |
| 723 | R | 92.2 | Very high | 91.6 | Very high | 155 Ų | 155 | 80.3 Ų | 80.3 | 59% | 0.585 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -63.1 | -43.6 | 179.9 | -171.9 | 174.1 | -177.9 | 167.9 | -1.8 | 112.2 | L713 Y726 N727 | L713-R723 HydrophobicContact CD2-CB 4.21Å; R723-Y726 PolarHBondContact O-N 2.98Å; R723-N727 VanDerWaalsContact O-CG 3.25Å; R723-N727 PolarHBondContact O-N 3.37Å; R723-N727 PolarHBondContact O-ND2 3.43Å |
| 724 | D | 92.1 | Very high | 91.2 | Very high | 107 Ų | 107 | 82.2 Ų | 82.2 | 57% | 0.572 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -65.4 | -47.1 | 179.1 | -62.3 | -33.5 | 0 | 0 | 0 | 111.3 | Y726 N727 M728 | D724-Y726 VanDerWaalsContact C-N 3.27Å; D724-Y726 PolarHBondContact O-N 3.41Å; D724-N727 WeakPolarHBondContact O-CB 3.36Å; D724-N727 PolarHBondContact O-N 3.49Å; D724-M728 WeakPolarHBondContact O-CG 3.38Å; D724-M728 PolarHBondContact O-N 3Å |
| 725 | N | 93.4 | Very high | 90.6 | Very high | 57 Ų | 57 | 80.3 Ų | 80.3 | 31% | 0.305 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61 | -36.8 | 175.3 | -76.2 | -42.1 | 0 | 0 | 0 | 112.3 | V694 Y709 G721 T722 M728 L729 | V694-N725 HydrophobicContact CG2-CB 4.44Å; Y709-N725 HydrophobicContact CE1-CB 3.75Å; Y709-N725 WeakPolarHBondContact OH-CB 3.41Å; G721-N725 VanDerWaalsContact O-CB 3.31Å; G721-N725 WeakPolarHBondContact O-CB 3.35Å; G721-N725 PolarHBondContact O-N 3.3Å; G721-N725 PolarHBondContact O-ND2 2.87Å; T722-N725 PolarHBondContact O-N 3.01Å; N725-M728 PolarHBondContact O-N 2.89Å; N725-L729 PolarHBondContact O-N 2.98Å; N725-L729 VanDerWaalsContact O-N 3.09Å |
| 726 | Y | 95 | Very high | 90 | Very high | 25 Ų | 25 | 81.1 Ų | 81.1 | 10% | 0.098 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -68.8 | -40.8 | 175.9 | -174.6 | -143.3 | 0 | 0 | 0 | 112.1 | K706 Y709 E710 L713 T722 R723 D724 M728 L729 R730 | K706-Y726 HydrophobicContact CB-CE2 4.29Å; K706-Y726 WeakPolarHBondContact CE-OH 3.36Å; K706-Y726 HydrophobicContact CG-CE2 3.87Å; Y709-Y726 AromaticContact CD2-CD2 3.69Å; Y709-Y726 HydrophobicContact CD2-CD2 3.69Å; Y709-Y726 HydrophobicContact CD2-CG 4.26Å; Y709-Y726 AromaticContact CG-CD2 3.89Å; Y709-Y726 HydrophobicContact CG-CD2 3.89Å; Y709-Y726 HydrophobicContact CG-CG 4.05Å; E710-Y726 HydrophobicContact CG-CE1 4.03Å; E710-Y726 PolarHBondContact OE1-OH 3.05Å; L713-Y726 HydrophobicContact CD1-CD1 3.97Å; T722-Y726 WeakPolarHBondContact O-CB 3.48Å; T722-Y726 PolarHBondContact O-N 2.81Å; R723-Y726 PolarHBondContact O-N 2.98Å; D724-Y726 VanDerWaalsContact C-N 3.27Å; D724-Y726 PolarHBondContact O-N 3.41Å; Y726-M728 VanDerWaalsContact C-N 3.29Å; Y726-M728 PolarHBondContact O-N 3.39Å; Y726-L729 HydrophobicContact CD2-CB 4.47Å; Y726-L729 HydrophobicContact CD2-CD2 4.2Å; Y726-L729 HydrophobicContact CE2-CD2 4.37Å; Y726-L729 WeakPolarHBondContact O-CB 3.25Å; Y726-L729 PolarHBondContact O-N 3.5Å; Y726-L729 VanDerWaalsContact O-N 3.15Å; Y726-R730 HydrophobicContact CD2-CG 4.23Å; Y726-R730 HydrophobicContact CE2-CG 3.83Å; Y726-R730 WeakPolarHBondContact O-CG 3.36Å; Y726-R730 PolarHBondContact O-N 3.35Å |
| 727 | N | 92.5 | Very high | 89.3 | Confident | 60 Ų | 60 | 85 Ų | 85 | 32% | 0.321 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -60.8 | -39.4 | 174.6 | -72.6 | -27.6 | 0 | 0 | 0 | 111.7 | R723 D724 R730 R731 | R723-N727 VanDerWaalsContact O-CG 3.25Å; R723-N727 PolarHBondContact O-N 3.37Å; R723-N727 PolarHBondContact O-ND2 3.43Å; D724-N727 WeakPolarHBondContact O-CB 3.36Å; D724-N727 PolarHBondContact O-N 3.49Å; N727-R730 PolarHBondContact O-N 3.22Å; N727-R731 WeakPolarHBondContact O-CG 3.39Å; N727-R731 PolarHBondContact O-N 3.33Å; N727-R731 VanDerWaalsContact O-N 3.1Å |
| 728 | M | 92.4 | Very high | 88.2 | Confident | 113 Ų | 113 | 88.9 Ų | 88.9 | 56% | 0.557 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -61.9 | -44 | 173.3 | -68.6 | 176 | 68.9 | 0 | 0 | 111.9 | D724 N725 Y726 R730 R731 K732 | D724-M728 WeakPolarHBondContact O-CG 3.38Å; D724-M728 PolarHBondContact O-N 3Å; N725-M728 PolarHBondContact O-N 2.89Å; Y726-M728 VanDerWaalsContact C-N 3.29Å; Y726-M728 PolarHBondContact O-N 3.39Å; M728-R730 PolarHBondContact O-N 3.27Å; M728-R731 PolarHBondContact O-N 3.47Å; M728-K732 PolarHBondContact O-N 2.81Å; M728-K732 VanDerWaalsContact O-N 3.15Å |
| 729 | L | 93.4 | Very high | 86.8 | Confident | 0 Ų | 0 | 85.7 Ų | 85.7 | 0% | 0 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -60.8 | -44.2 | 175.6 | 177.8 | 67.4 | 0 | 0 | 0 | 111.5 | L702 A705 K706 Y709 N725 Y726 K732 L733 | L702-L729 HydrophobicContact CB-CD1 4.03Å; L702-L729 HydrophobicContact CD2-CD1 3.65Å; L702-L729 HydrophobicContact CG-CD1 4.31Å; A705-L729 HydrophobicContact CB-CD1 4.49Å; A705-L729 HydrophobicContact CB-CD2 3.74Å; K706-L729 HydrophobicContact CB-CD2 3.96Å; Y709-L729 HydrophobicContact CD2-CD2 3.68Å; Y709-L729 HydrophobicContact CE2-CB 4.25Å; Y709-L729 HydrophobicContact CE2-CD2 3.83Å; N725-L729 PolarHBondContact O-N 2.98Å; N725-L729 VanDerWaalsContact O-N 3.09Å; Y726-L729 HydrophobicContact CD2-CB 4.47Å; Y726-L729 HydrophobicContact CD2-CD2 4.2Å; Y726-L729 HydrophobicContact CE2-CD2 4.37Å; Y726-L729 WeakPolarHBondContact O-CB 3.25Å; Y726-L729 PolarHBondContact O-N 3.5Å; Y726-L729 VanDerWaalsContact O-N 3.15Å; L729-K732 WeakPolarHBondContact O-CB 3.48Å; L729-K732 PolarHBondContact O-N 3.29Å; L729-L733 HydrophobicContact CD1-CD1 4.35Å; L729-L733 HydrophobicContact CD1-CG 4.34Å; L729-L733 HydrophobicContact CD2-CD1 4.42Å; L729-L733 HydrophobicContact CG-CD1 3.98Å; L729-L733 HydrophobicContact CG-CG 4.38Å; L729-L733 WeakPolarHBondContact O-CG 3.49Å; L729-L733 PolarHBondContact O-N 3Å |
| 730 | R | 91.9 | Very high | 85.2 | Confident | 127 Ų | 127 | 90.2 Ų | 90.2 | 48% | 0.479 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -59.3 | -48.5 | 179.2 | -74.7 | -178.3 | 66 | -176.1 | 2.2 | 111.7 | Y726 N727 M728 K732 L733 D734 | Y726-R730 HydrophobicContact CD2-CG 4.23Å; Y726-R730 HydrophobicContact CE2-CG 3.83Å; Y726-R730 WeakPolarHBondContact O-CG 3.36Å; Y726-R730 PolarHBondContact O-N 3.35Å; N727-R730 PolarHBondContact O-N 3.22Å; M728-R730 PolarHBondContact O-N 3.27Å; R730-K732 VanDerWaalsContact C-N 3.26Å; R730-K732 PolarHBondContact O-N 2.57Å; R730-L733 PolarHBondContact O-N 3.31Å; R730-D734 VanDerWaalsContact O-CG 3.23Å; R730-D734 PolarHBondContact O-N 3.4Å |
| 731 | R | 90.1 | Very high | 83.7 | Confident | 180 Ų | 180 | 94 Ų | 94 | 68% | 0.679 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -56.4 | -41.6 | 175.4 | -69.6 | 178.1 | -173.5 | 174.7 | 2.7 | 111.9 | N727 M728 D734 Q735 | N727-R731 WeakPolarHBondContact O-CG 3.39Å; N727-R731 PolarHBondContact O-N 3.33Å; N727-R731 VanDerWaalsContact O-N 3.1Å; M728-R731 PolarHBondContact O-N 3.47Å; R731-D734 PolarHBondContact O-N 3.07Å; R731-Q735 WeakPolarHBondContact O-CG 3.26Å; R731-Q735 PolarHBondContact O-N 2.93Å |
| 732 | K | 87.8 | Confident | 83.6 | Confident | 92 Ų | 92 | 96.8 Ų | 96.8 | 40% | 0.4 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -67.2 | -41.8 | 178.1 | -172 | 175 | -177.4 | 176.3 | 0 | 112.5 | M728 L729 R730 D734 Q735 L736 | M728-K732 PolarHBondContact O-N 2.81Å; M728-K732 VanDerWaalsContact O-N 3.15Å; L729-K732 WeakPolarHBondContact O-CB 3.48Å; L729-K732 PolarHBondContact O-N 3.29Å; R730-K732 VanDerWaalsContact C-N 3.26Å; R730-K732 PolarHBondContact O-N 2.57Å; K732-D734 VanDerWaalsContact C-N 3.34Å; K732-Q735 PolarHBondContact O-N 3.3Å; K732-L736 HydrophobicContact CG-CD1 4.38Å; K732-L736 WeakPolarHBondContact O-CG 3.46Å; K732-L736 PolarHBondContact O-N 3.09Å |
| 733 | L | 88.2 | Confident | 83.2 | Confident | 22 Ų | 22 | 101.5 Ų | 101.5 | 12% | 0.115 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -63.6 | -40.4 | 174.4 | -76.4 | 170.7 | 0 | 0 | 0 | 111.6 | L702 K706 L729 R730 L736 K737 | L702-L733 HydrophobicContact CB-CD2 3.77Å; L702-L733 HydrophobicContact CB-CG 4.49Å; L702-L733 HydrophobicContact CD1-CD2 3.83Å; L702-L733 HydrophobicContact CG-CD2 4.46Å; K706-L733 HydrophobicContact CD-CD1 4.43Å; L729-L733 HydrophobicContact CD1-CD1 4.35Å; L729-L733 HydrophobicContact CD1-CG 4.34Å; L729-L733 HydrophobicContact CD2-CD1 4.42Å; L729-L733 HydrophobicContact CG-CD1 3.98Å; L729-L733 HydrophobicContact CG-CG 4.38Å; L729-L733 WeakPolarHBondContact O-CG 3.49Å; L729-L733 PolarHBondContact O-N 3Å; R730-L733 PolarHBondContact O-N 3.31Å; L733-L736 PolarHBondContact O-N 3.37Å; L733-K737 WeakPolarHBondContact O-CG 3.35Å; L733-K737 PolarHBondContact O-N 3.4Å; L733-K737 VanDerWaalsContact O-N 3.1Å |
| 734 | D | 86.7 | Confident | 82.7 | Confident | 74 Ų | 74 | 98.5 Ų | 98.5 | 40% | 0.396 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.6 | -43.1 | 176.7 | -65.8 | -26.3 | 0 | 0 | 0 | 110.7 | R730 R731 K732 L736 K737 H738 | R730-D734 VanDerWaalsContact O-CG 3.23Å; R730-D734 PolarHBondContact O-N 3.4Å; R731-D734 PolarHBondContact O-N 3.07Å; K732-D734 VanDerWaalsContact C-N 3.34Å; D734-L736 VanDerWaalsContact C-N 3.35Å; D734-L736 PolarHBondContact O-N 3.33Å; D734-K737 PolarHBondContact O-N 3.3Å; D734-H738 PolarHBondContact O-N 3.26Å; D734-H738 PolarHBondContact O-ND1 3.27Å |
| 735 | Q | 84.1 | Confident | 82.1 | Confident | 137 Ų | 137 | 98 Ų | 98 | 64% | 0.64 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -58.3 | -43.2 | 172.9 | -75.7 | 173.4 | -9.4 | 0 | 0 | 112.7 | R731 K732 K737 H738 S739 | R731-Q735 WeakPolarHBondContact O-CG 3.26Å; R731-Q735 PolarHBondContact O-N 2.93Å; K732-Q735 PolarHBondContact O-N 3.3Å; Q735-K737 VanDerWaalsContact C-N 3.3Å; Q735-K737 PolarHBondContact O-N 3.06Å; Q735-H738 PolarHBondContact O-N 3.32Å; Q735-S739 PolarHBondContact O-N 2.81Å; Q735-S739 VanDerWaalsContact O-N 3.14Å; Q735-S739 PolarHBondContact O-OG 2.82Å |
| 736 | L | 82.2 | Confident | 81.4 | Confident | 84 Ų | 84 | 100.6 Ų | 100.6 | 44% | 0.44 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.6 | -33.2 | 178.5 | -75 | 164.6 | 0 | 0 | 0 | 112.8 | L702 K732 L733 D734 H738 S739 T740 | L702-L736 HydrophobicContact CD1-CD1 3.38Å; K732-L736 HydrophobicContact CG-CD1 4.38Å; K732-L736 WeakPolarHBondContact O-CG 3.46Å; K732-L736 PolarHBondContact O-N 3.09Å; L733-L736 PolarHBondContact O-N 3.37Å; D734-L736 VanDerWaalsContact C-N 3.35Å; D734-L736 PolarHBondContact O-N 3.33Å; L736-H738 VanDerWaalsContact C-N 3.35Å; L736-S739 WeakPolarHBondContact CA-OG 3.38Å; L736-S739 PolarHBondContact O-OG 2.89Å; L736-T740 PolarHBondContact O-OG1 2.85Å |
| 737 | K | 78.4 | Confident | 80.5 | Confident | 146 Ų | 146 | 105.6 Ų | 105.6 | 64% | 0.635 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -71.5 | -26.9 | 174.4 | -72.7 | 175.7 | -179.6 | -179.5 | 0 | 113.7 | L733 D734 Q735 | L733-K737 WeakPolarHBondContact O-CG 3.35Å; L733-K737 PolarHBondContact O-N 3.4Å; L733-K737 VanDerWaalsContact O-N 3.1Å; D734-K737 PolarHBondContact O-N 3.3Å; Q735-K737 VanDerWaalsContact C-N 3.3Å; Q735-K737 PolarHBondContact O-N 3.06Å |
| 738 | H | 71.5 | Confident | 79.7 | Confident | 165 Ų | 165 | 108.9 Ų | 108.9 | 76% | 0.764 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -93.2 | -4.8 | 179 | -67.5 | 70.2 | 0 | 0 | 0 | 113 | D734 Q735 L736 | D734-H738 PolarHBondContact O-N 3.26Å; D734-H738 PolarHBondContact O-ND1 3.27Å; Q735-H738 PolarHBondContact O-N 3.32Å; L736-H738 VanDerWaalsContact C-N 3.35Å |
| 739 | S | 60.8 | Low | 78.7 | Confident | 84 Ų | 84 | 108.5 Ų | 108.5 | 59% | 0.587 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -111 | 4.9 | 179.3 | 43.9 | 0 | 0 | 0 | 0 | 113.5 | Q735 L736 | Q735-S739 PolarHBondContact O-N 2.81Å; Q735-S739 VanDerWaalsContact O-N 3.14Å; Q735-S739 PolarHBondContact O-OG 2.82Å; L736-S739 WeakPolarHBondContact CA-OG 3.38Å; L736-S739 PolarHBondContact O-OG 2.89Å |
| 740 | T | 55.3 | Low | 77.5 | Confident | 100 Ų | 100 | 117.6 Ų | 117.6 | 61% | 0.613 | 59% | 0.587 | S | S | * | * | trans | -96.6 | 119.4 | 167.2 | 17.8 | 0 | 0 | 0 | 0 | 108 | L736 | L736-T740 PolarHBondContact O-OG1 2.85Š| ||
| 741 | P | 52.9 | Low | 76.2 | Confident | 200 Ų | 200 | 116.7 Ų | 116.7 | 100% | 1.299 | 60% | 0.597 | S | S | * | * | trans | -67.5 | 0 | -178.3 | 26.8 | -32.9 | 0 | 0 | 0 | 113.5 |
Retrieved 741 of 741 residues in 3294.4 ms
(Link to these results)